0 B13R1.388 C=C=Cc1ccc(c(c1)C)OCC 271570a_100015277604_100011308936 [0,0,0,0,0,0|1,0,2]=3 1 B13R1.388 C=C=Cc1ccc(c(c1)F)OCC 271570a_100015277604_200000171753 [0,0,0,0,0,0|1,0,2]=3 2 B13R1.388 C=C=Cc1ccc(c(c1)N)OCC 271570a_100015277604_100000751366 [0,0,0,0,0,0|1,0,2]=3 3 B13R1.388 C=C=Cc1cnc(c(c1)C)OCC 271570a_100015277604_100012351028 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.388 C=C=Cc1cnc(c(c1)N)OCC 271570a_100015277604_100011433076 [0,0,0,0,0,0|2,0,2]=4 5 B13R1.388 CC=Cc1ccc(c(c1)C)CC#N 271570a_100016259895_100000697864 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.388 CC=Cc1ccc(c(c1)C)OCC 271570a_100016259895_100011308936 [0,0,0,0,0,0|1,0,0]=1 7 B13R1.388 CC=Cc1ccc(c(c1)F)CC#N 271570a_100016259895_100011295474 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.388 CC=Cc1ccc(c(c1)F)CCO 271570a_100016259895_100011962869 [0,0,0,0,0,0|3,0,0]=3 9 B13R1.388 CC=Cc1ccc(c(c1)F)OCC 271570a_100016259895_200000171753 [0,0,0,0,0,0|1,0,0]=1 10 B13R1.388 CC=Cc1ccc(c(c1)F)SC#N 271570a_100016259895_100025703542 [0,0,0,0,0,0|2,1,1]=4 11 B13R1.388 CC=Cc1ccc(c(c1)N)COC 271570a_100016259895_100013084866 [0,0,0,0,0,0|3,0,0]=3 12 B13R1.388 CC=Cc1ccc(c(c1)N)OCC 271570a_100016259895_100000751366 [0,0,0,0,0,0|1,0,0]=1 13 B13R1.388 CC=Cc1cnc(c(c1)C)OCC 271570a_100016259895_100012351028 [0,0,0,0,0,0|2,0,0]=2 14 B13R1.388 CC=Cc1cnc(c(c1)N)OCC 271570a_100016259895_100011433076 [0,0,0,0,0,0|2,0,0]=2 15 B13R1.388 CCCc1ccc(c(c1)F)SCC 62a_100000210202_200010686677 [0,0,0,0,0,0|1,1,2]=4 16 B13R1.388 CCCc1ccc(c(c1)F)SCC 62a_200010686677_100000210202 [0,0,0,0,0,0|1,1,2]=4 17 B13R1.388 CCNc1ccc(c(c1)C)SCC 62a_100000210202_100015183089 [0,0,0,0,0,0|2,1,1]=4 18 B13R1.388 CCNc1ccc(c(c1)C)SCC 62a_100015183089_100000210202 [0,0,0,0,0,0|2,1,1]=4 19 B13R1.388 CCNc1ccc(c(c1)Cl)OCC 2230a_100000741444_100000210202 [0,0,0,0,0,0|2,0,1]=3 20 B13R1.388 CCNc1ccc(c(c1)Cl)OCC 34a_100000741444_100000210202 [0,0,0,0,0,0|2,0,1]=3 21 B13R1.388 CCNc1ccc(c(c1)Cl)OCC 7a_100000741444_100000210202 [0,0,0,0,0,0|2,0,1]=3 22 B13R1.388 CCNc1ccc(cc1C)OCC 2230a_100000742753_100000210202 [0,0,0,0,0,0|3,0,1]=4 23 B13R1.388 CCNc1ccc(cc1C)OCC 34a_100000742753_100000210202 [0,0,0,0,0,0|3,0,1]=4 24 B13R1.388 CCNc1ccc(cc1F)OCC 2230a_100015186438_100000210202 [0,0,0,0,0,0|3,0,1]=4 25 B13R1.388 CCNc1ccc(cc1F)OCC 34a_100015186438_100000210202 [0,0,0,0,0,0|3,0,1]=4 26 B13R1.388 CCOc1ccc(c(c1)C)SCC 62a_100000210202_100012344538 [0,0,0,0,0,0|2,1,1]=4 27 B13R1.388 CCOc1ccc(c(c1)F)OCC 34a_100012771078_100000210202 [0,0,0,0,0,0|2,0,1]=3 28 B13R1.388 CCOc1ccc(c(c1)F)OCC 7a_100012771078_100000210202 [0,0,0,0,0,0|2,0,1]=3 29 B13R1.388 CCOc1ccc(c(c1)F)SCC 62a_100000210202_100000692347 [0,0,0,0,0,0|2,1,1]=4 30 B13R1.388 CCOc1ccc(c(c1)F)SCC 62a_100000692347_100000210202 [0,0,0,0,0,0|2,1,1]=4 31 B13R1.388 CCOc1ccc(cc1Br)CNC 207a_100102657272_100000173028 [0,0,0,0,0,0|2,0,1]=3 32 B13R1.388 CCOc1ccc(cc1Br)CNC 270004a_106832991635_100000173028 [0,0,0,0,0,0|2,0,1]=3 33 B13R1.388 CCOc1ccc(cc1Br)COC 34a_200011800839_200000210301 [0,0,0,0,0,0|2,0,1]=3 34 B13R1.388 CCOc1ccc(cc1Br)COC 7a_200011800839_200000210301 [0,0,0,0,0,0|2,0,1]=3 35 B13R1.388 CCOc1ccc(cc1Br)CO[13CH3] 34a_200011800839_200025704644 [0,0,0,0,0,0|2,0,1]=3 36 B13R1.388 CCOc1ccc(cc1Br)CO[13CH3] 7a_200011800839_200025704644 [0,0,0,0,0,0|2,0,1]=3 37 B13R1.388 CCOc1ccc(cc1C)CNC 207a_100102657272_100012017204 [0,0,0,0,0,0|2,0,1]=3 38 B13R1.388 CCOc1ccc(cc1C)CNC 270004a_106832991635_100012017204 [0,0,0,0,0,0|2,0,1]=3 39 B13R1.388 CCOc1ccc(cc1C)SCC 62a_100000210202_100011308936 [0,0,0,0,0,0|2,0,1]=3 40 B13R1.388 CCOc1ccc(cc1C)SCC 62a_100011308936_100000210202 [0,0,0,0,0,0|2,0,1]=3 41 B13R1.388 CCOc1ccc(cc1C)SCF 62a_100011308936_100015361967 [0,0,0,0,0,0|3,0,1]=4 42 B13R1.388 CCOc1ccc(cc1C)SCF 62a_100015361967_100011308936 [0,0,0,0,0,0|3,0,1]=4 43 B13R1.388 CCOc1ccc(cc1Cl)CNC 207a_100102657272_200000188301 [0,0,0,0,0,0|2,0,1]=3 44 B13R1.388 CCOc1ccc(cc1Cl)CNC 270004a_106832991635_200000188301 [0,0,0,0,0,0|2,0,1]=3 45 B13R1.388 CCOc1ccc(cc1Cl)COC 34a_200011523292_200000210301 [0,0,0,0,0,0|2,0,1]=3 46 B13R1.388 CCOc1ccc(cc1Cl)COC 7a_200011523292_200000210301 [0,0,0,0,0,0|2,0,1]=3 47 B13R1.388 CCOc1ccc(cc1Cl)CO[13CH3] 34a_200011523292_200025704644 [0,0,0,0,0,0|2,0,1]=3 48 B13R1.388 CCOc1ccc(cc1Cl)CO[13CH3] 7a_200011523292_200025704644 [0,0,0,0,0,0|2,0,1]=3 49 B13R1.388 CCOc1ccc(cc1Cl)NCF 34a_100000741444_100015361967 [0,0,0,0,0,0|3,0,1]=4 50 B13R1.388 CCOc1ccc(cc1Cl)NCF 7a_100000741444_100015361967 [0,0,0,0,0,0|3,0,1]=4 51 B13R1.388 CCOc1ccc(cc1F)OCF 34a_100012771078_100015361967 [0,0,0,0,0,0|3,0,1]=4 52 B13R1.388 CCOc1ccc(cc1F)OCF 7a_100012771078_100015361967 [0,0,0,0,0,0|3,0,1]=4 53 B13R1.388 CCOc1ccc(cc1F)SCC 62a_100000210202_200000171753 [0,0,0,0,0,0|2,0,1]=3 54 B13R1.388 CCOc1ccc(cc1F)SCC 62a_200000171753_100000210202 [0,0,0,0,0,0|2,0,1]=3 55 B13R1.388 CCOc1ccc(cc1F)SCF 62a_100015361967_200000171753 [0,0,0,0,0,0|3,0,1]=4 56 B13R1.388 CCOc1ccc(cc1F)SCF 62a_200000171753_100015361967 [0,0,0,0,0,0|3,0,1]=4 57 B13R1.388 CCOc1ccc(cc1I)CNC 207a_100102657272_200000123116 [0,0,0,0,0,0|2,0,1]=3 58 B13R1.388 CCOc1ccc(cc1I)CNC 269862a_106832991636_200000123116 [0,0,0,0,0,0|2,0,1]=3 59 B13R1.388 CCOc1ccc(cc1I)CNC 270004a_106832991635_200000123116 [0,0,0,0,0,0|2,0,1]=3 60 B13R1.388 CCOc1ccc(cc1N)SCC 62a_100000751366_100000210202 [0,0,0,0,0,0|2,0,1]=3 61 B13R1.388 CCOc1ccc(cc1N)SCF 62a_100000751366_100015361967 [0,0,0,0,0,0|3,0,1]=4 62 B13R1.388 CCOc1ncc(cc1C)SCC 62a_100000210202_100012351028 [0,0,0,0,0,0|3,0,1]=4 63 B13R1.388 CCOc1ncc(cc1C)SCC 62a_100012351028_100000210202 [0,0,0,0,0,0|3,0,1]=4 64 B13R1.388 CCOc1ncc(cc1N)SCC 62a_100000210202_100011433076 [0,0,0,0,0,0|3,0,1]=4 65 B13R1.388 CCOc1ncc(cc1N)SCC 62a_100011433076_100000210202 [0,0,0,0,0,0|3,0,1]=4 66 B13R1.388 CCSc1ccc(cc1F)COC 62a_100000210202_100010177442 [0,0,0,0,0,0|2,1,1]=4 67 B13R1.388 CCSc1ccc(cc1F)COC 62a_100010177442_100000210202 [0,0,0,0,0,0|2,1,1]=4 68 B13R1.388 CCSc1ccc(cc1N)COC 62a_100000210202_200013033220 [0,0,0,0,0,0|2,1,1]=4 69 B13R1.388 CCSc1ccc(cc1N)COC 62a_200013033220_100000210202 [0,0,0,0,0,0|2,1,1]=4 70 B12R1.114 C=Cc1ccc(c(c1)C)OCC 271570a_100011290941_100011308936 [1,0,0,0,0,0|1,0,0]=2 71 B12R1.114 C=Cc1ccc(c(c1)F)CCO 271570a_100011290941_100011962869 [1,0,0,0,0,0|3,0,0]=4 72 B12R1.114 C=Cc1ccc(c(c1)F)OCC 271570a_100011290941_200000171753 [1,0,0,0,0,0|1,0,0]=2 73 B12R1.114 C=Cc1ccc(c(c1)N)COC 271570a_100011290941_100013084866 [1,0,0,0,0,0|3,0,0]=4 74 B12R1.114 C=Cc1ccc(c(c1)N)OCC 271570a_100011290941_100000751366 [1,0,0,0,0,0|1,0,0]=2 75 B12R1.114 C=Cc1cnc(c(c1)C)OCC 271570a_100011290941_100012351028 [1,0,0,0,0,0|2,0,0]=3 76 B12R1.114 C=Cc1cnc(c(c1)N)OCC 271570a_100011290941_100011433076 [1,0,0,0,0,0|2,0,0]=3 77 B12R1.114 CC=Cc1ccc(cc1O)C=O 271570a_100016259895_100000041418 [1,0,0,0,0,0|2,0,1]=4 78 B12R1.114 CC=Cc1ccc(cc1O)OC 271570a_100016259895_100000719091 [1,0,0,0,0,0|2,0,1]=4 79 B12R1.114 CCNc1ccc(cc1Br)CC 2230a_100012339725_100000210202 [1,0,0,0,0,0|2,0,1]=4 80 B12R1.114 CCNc1ccc(cc1Br)CC 34a_100012339725_100000210202 [1,0,0,0,0,0|2,0,1]=4 81 B12R1.114 CCNc1ccc(cc1Br)OC 34a_100015195136_100000210202 [1,0,0,0,0,0|3,0,0]=4 82 B12R1.114 CCNc1ccc(cc1C)CC 2230a_100011226020_100000210202 [1,0,0,0,0,0|2,0,1]=4 83 B12R1.114 CCNc1ccc(cc1C)CC 34a_100011226020_100000210202 [1,0,0,0,0,0|2,0,1]=4 84 B12R1.114 CCNc1ccc(cc1C)CC 7a_100011226020_100000210202 [1,0,0,0,0,0|2,0,1]=4 85 B12R1.114 CCNc1ccc(cc1C)OC 34a_100000750285_100000210202 [1,0,0,0,0,0|3,0,0]=4 86 B12R1.114 CCNc1ccc(cc1Cl)OC 34a_100000747055_100000210202 [1,0,0,0,0,0|3,0,0]=4 87 B12R1.114 CCNc1ccc(cc1F)CC 2230a_100016177294_100000210202 [1,0,0,0,0,0|2,0,1]=4 88 B12R1.114 CCNc1ccc(cc1F)CC 34a_100016177294_100000210202 [1,0,0,0,0,0|2,0,1]=4 89 B12R1.114 CCNc1ccc(cc1F)OC 34a_100011299463_100000210202 [1,0,0,0,0,0|3,0,0]=4 90 B12R1.114 CCNc1ccc(cc1F)SC 34a_100012056844_100000210202 [1,0,0,0,0,0|3,0,0]=4 91 B12R1.114 CCNc1ccc(cc1I)OC 34a_100000049804_100000210202 [1,0,0,0,0,0|3,0,0]=4 92 B12R1.114 CCNc1ccc(cc1O)C#N 34a_100011997735_100000210202 [1,0,0,0,0,0|2,0,1]=4 93 B12R1.114 CCNc1ccc(cc1O)CC 34a_100000124328_100000210202 [1,0,0,0,0,0|1,0,1]=3 94 B12R1.114 CCNc1ccc(cc1O)OC 34a_100016989039_100000210202 [1,0,0,0,0,0|2,0,0]=3 95 B12R1.114 CCOc1ccc(cc1Br)C#N 34a_100011216086_100000210202 [1,0,0,0,0,0|2,0,1]=4 96 B12R1.114 CCOc1ccc(cc1Br)C#N 7a_100011216086_100000210202 [1,0,0,0,0,0|2,0,1]=4 97 B12R1.114 CCOc1ccc(cc1Br)CC 34a_100012339963_100000210202 [1,0,0,0,0,0|1,0,1]=3 98 B12R1.114 CCOc1ccc(cc1Br)CC 7a_100012339963_100000210202 [1,0,0,0,0,0|1,0,1]=3 99 B12R1.114 CCOc1ccc(cc1Br)CO 34a_100011191544_100000210202 [1,0,0,0,0,0|2,0,1]=4 100 B12R1.114 CCOc1ccc(cc1Br)CO 7a_100011191544_100000210202 [1,0,0,0,0,0|2,0,1]=4 101 B12R1.114 CCOc1ccc(cc1Br)OC 34a_100000685887_100000210202 [1,0,0,0,0,0|2,0,0]=3 102 B12R1.114 CCOc1ccc(cc1Br)OC 7a_100000685887_100000210202 [1,0,0,0,0,0|2,0,0]=3 103 B12R1.114 CCOc1ccc(cc1C)C#N 34a_100000749339_100000210202 [1,0,0,0,0,0|2,0,1]=4 104 B12R1.114 CCOc1ccc(cc1C)C#N 7a_100000749339_100000210202 [1,0,0,0,0,0|2,0,1]=4 105 B12R1.114 CCOc1ccc(cc1C)CO 34a_100000075815_100000210202 [1,0,0,0,0,0|2,0,1]=4 106 B12R1.114 CCOc1ccc(cc1C)CO 7a_100000075815_100000210202 [1,0,0,0,0,0|2,0,1]=4 107 B12R1.114 CCOc1ccc(cc1C)OC 34a_100012002223_100000210202 [1,0,0,0,0,0|2,0,0]=3 108 B12R1.114 CCOc1ccc(cc1C)OC 7a_100012002223_100000210202 [1,0,0,0,0,0|2,0,0]=3 109 B12R1.114 CCOc1ccc(cc1C)SC 62a_100011308936_200000210301 [1,0,0,0,0,0|2,0,0]=3 110 B12R1.114 CCOc1ccc(cc1C)SC 62a_200000210301_100011308936 [1,0,0,0,0,0|2,0,0]=3 111 B12R1.114 CCOc1ccc(cc1C)S[13CH3] 62a_100011308936_200025704644 [1,0,0,0,0,0|2,0,0]=3 112 B12R1.114 CCOc1ccc(cc1C)S[13CH3] 62a_200025704644_100011308936 [1,0,0,0,0,0|2,0,0]=3 113 B12R1.114 CCOc1ccc(cc1Cl)C#N 34a_100000205955_100000210202 [1,0,0,0,0,0|2,0,1]=4 114 B12R1.114 CCOc1ccc(cc1Cl)C#N 7a_100000205955_100000210202 [1,0,0,0,0,0|2,0,1]=4 115 B12R1.114 CCOc1ccc(cc1Cl)NC 2230a_100000741444_200000210301 [1,0,0,0,0,0|2,0,0]=3 116 B12R1.114 CCOc1ccc(cc1Cl)NC 34a_100000741444_200000210301 [1,0,0,0,0,0|2,0,0]=3 117 B12R1.114 CCOc1ccc(cc1Cl)NC 7a_100000741444_200000210301 [1,0,0,0,0,0|2,0,0]=3 118 B12R1.114 CCOc1ccc(cc1Cl)N[13CH3] 2230a_100000741444_200025704644 [1,0,0,0,0,0|2,0,0]=3 119 B12R1.114 CCOc1ccc(cc1Cl)N[13CH3] 34a_100000741444_200025704644 [1,0,0,0,0,0|2,0,0]=3 120 B12R1.114 CCOc1ccc(cc1Cl)N[13CH3] 7a_100000741444_200025704644 [1,0,0,0,0,0|2,0,0]=3 121 B12R1.114 CCOc1ccc(cc1Cl)OC 34a_100000038596_100000210202 [1,0,0,0,0,0|2,0,0]=3 122 B12R1.114 CCOc1ccc(cc1Cl)OC 7a_100000038596_100000210202 [1,0,0,0,0,0|2,0,0]=3 123 B12R1.114 CCOc1ccc(cc1F)C#N 34a_100000751310_100000210202 [1,0,0,0,0,0|2,0,1]=4 124 B12R1.114 CCOc1ccc(cc1F)C#N 7a_100000751310_100000210202 [1,0,0,0,0,0|2,0,1]=4 125 B12R1.114 CCOc1ccc(cc1F)CN 34a_100000758358_100000210202 [1,0,0,0,0,0|2,0,1]=4 126 B12R1.114 CCOc1ccc(cc1F)OC 34a_100000036999_100000210202 [1,0,0,0,0,0|2,0,0]=3 127 B12R1.114 CCOc1ccc(cc1F)OC 34a_100012771078_200000210301 [1,0,0,0,0,0|2,0,0]=3 128 B12R1.114 CCOc1ccc(cc1F)OC 7a_100000036999_100000210202 [1,0,0,0,0,0|2,0,0]=3 129 B12R1.114 CCOc1ccc(cc1F)OC 7a_100012771078_200000210301 [1,0,0,0,0,0|2,0,0]=3 130 B12R1.114 CCOc1ccc(cc1F)O[13CH3] 34a_100012771078_200025704644 [1,0,0,0,0,0|2,0,0]=3 131 B12R1.114 CCOc1ccc(cc1F)O[13CH3] 7a_100012771078_200025704644 [1,0,0,0,0,0|2,0,0]=3 132 B12R1.114 CCOc1ccc(cc1F)SC 62a_200000171753_200000210301 [1,0,0,0,0,0|2,0,0]=3 133 B12R1.114 CCOc1ccc(cc1F)SC 62a_200000210301_200000171753 [1,0,0,0,0,0|2,0,0]=3 134 B12R1.114 CCOc1ccc(cc1F)S[13CH3] 62a_200000171753_200025704644 [1,0,0,0,0,0|2,0,0]=3 135 B12R1.114 CCOc1ccc(cc1F)S[13CH3] 62a_200025704644_200000171753 [1,0,0,0,0,0|2,0,0]=3 136 B12R1.114 CCOc1ccc(cc1I)C#N 34a_100000725478_100000210202 [1,0,0,0,0,0|2,0,1]=4 137 B12R1.114 CCOc1ccc(cc1I)C#N 7a_100000725478_100000210202 [1,0,0,0,0,0|2,0,1]=4 138 B12R1.114 CCOc1ccc(cc1N)C#N 34a_100000766272_100000210202 [1,0,0,0,0,0|2,0,1]=4 139 B12R1.114 CCOc1ccc(cc1N)C#N 7a_100000766272_100000210202 [1,0,0,0,0,0|2,0,1]=4 140 B12R1.114 CCOc1ccc(cc1N)CC 34a_100000765835_100000210202 [1,0,0,0,0,0|1,0,1]=3 141 B12R1.114 CCOc1ccc(cc1N)CC 7a_100000765835_100000210202 [1,0,0,0,0,0|1,0,1]=3 142 B12R1.114 CCOc1ccc(cc1N)CO 34a_100000123545_100000210202 [1,0,0,0,0,0|2,0,1]=4 143 B12R1.114 CCOc1ccc(cc1N)OC 34a_100000188146_100000210202 [1,0,0,0,0,0|2,0,0]=3 144 B12R1.114 CCOc1ccc(cc1N)SC 62a_100000751366_200000210301 [1,0,0,0,0,0|2,0,0]=3 145 B12R1.114 CCOc1ccc(cc1N)S[13CH3] 62a_100000751366_200025704644 [1,0,0,0,0,0|2,0,0]=3 146 B12R1.114 CCOc1ccc(cc1O)C#N 271570a_203496583355_100000189309 [1,0,0,0,0,0|1,0,1]=3 147 B12R1.114 CCOc1ccc(cc1O)C=O 271570a_203496583355_100000173028 [1,0,0,0,0,0|1,0,0]=2 148 B12R1.114 CCOc1ccc(cc1O)CO 271570a_203496583355_200011800839 [1,0,0,0,0,0|1,0,1]=3 149 B12R1.114 CCOc1ccc(nc1C)OC 34a_200009873766_100000210202 [1,0,0,0,0,0|3,0,0]=4 150 B12R1.114 CCOc1ncc(cc1C)SC 62a_100012351028_200000210301 [1,0,0,0,0,0|3,0,0]=4 151 B12R1.114 CCOc1ncc(cc1C)SC 62a_200000210301_100012351028 [1,0,0,0,0,0|3,0,0]=4 152 B12R1.114 CCOc1ncc(cc1C)S[13CH3] 62a_100012351028_200025704644 [1,0,0,0,0,0|3,0,0]=4 153 B12R1.114 CCOc1ncc(cc1C)S[13CH3] 62a_200025704644_100012351028 [1,0,0,0,0,0|3,0,0]=4 154 B12R1.114 CCOc1ncc(cc1N)SC 62a_100011433076_200000210301 [1,0,0,0,0,0|3,0,0]=4 155 B12R1.114 CCOc1ncc(cc1N)SC 62a_200000210301_100011433076 [1,0,0,0,0,0|3,0,0]=4 156 B12R1.114 CCOc1ncc(cc1N)S[13CH3] 62a_100011433076_200025704644 [1,0,0,0,0,0|3,0,0]=4 157 B12R1.114 CCOc1ncc(cc1N)S[13CH3] 62a_200025704644_100011433076 [1,0,0,0,0,0|3,0,0]=4 158 B12R1.114 CCSc1ccc(cc1Br)CC 62a_100000210202_200009997437 [1,0,0,0,0,0|1,1,1]=4 159 B12R1.114 CCSc1ccc(cc1Br)CC 62a_200009997437_100000210202 [1,0,0,0,0,0|1,1,1]=4 160 B12R1.114 CCSc1ccc(cc1Br)OC 62a_100000210202_100012349170 [1,0,0,0,0,0|2,1,0]=4 161 B12R1.114 CCSc1ccc(cc1Br)OC 62a_100012349170_100000210202 [1,0,0,0,0,0|2,1,0]=4 162 B12R1.114 CCSc1ccc(cc1C)C=O 62a_100000210202_100000765772 [1,0,0,0,0,0|2,1,0]=4 163 B12R1.114 CCSc1ccc(cc1C)C=O 62a_100000765772_100000210202 [1,0,0,0,0,0|2,1,0]=4 164 B12R1.114 CCSc1ccc(cc1C)NC 62a_100000210202_100102888905 [1,0,0,0,0,0|2,1,0]=4 165 B12R1.114 CCSc1ccc(cc1C)NC 62a_100102888905_100000210202 [1,0,0,0,0,0|2,1,0]=4 166 B12R1.114 CCSc1ccc(cc1C)OC 62a_100000210202_100000759875 [1,0,0,0,0,0|2,1,0]=4 167 B12R1.114 CCSc1ccc(cc1C)OC 62a_100000759875_100000210202 [1,0,0,0,0,0|2,1,0]=4 168 B12R1.114 CCSc1ccc(cc1F)C=O 62a_100000210202_100000686674 [1,0,0,0,0,0|2,1,0]=4 169 B12R1.114 CCSc1ccc(cc1F)C=O 62a_100000686674_100000210202 [1,0,0,0,0,0|2,1,0]=4 170 B12R1.114 CCSc1ccc(cc1F)CC 62a_100000210202_200010339503 [1,0,0,0,0,0|1,1,1]=4 171 B12R1.114 CCSc1ccc(cc1F)CC 62a_200010339503_100000210202 [1,0,0,0,0,0|1,1,1]=4 172 B12R1.114 CCSc1ccc(cc1F)NC 62a_100000210202_100012285320 [1,0,0,0,0,0|2,1,0]=4 173 B12R1.114 CCSc1ccc(cc1F)NC 62a_100012285320_100000210202 [1,0,0,0,0,0|2,1,0]=4 174 B12R1.114 CCSc1ccc(cc1F)OC 62a_100000210202_100000753793 [1,0,0,0,0,0|2,1,0]=4 175 B12R1.114 CCSc1ccc(cc1F)OC 62a_100000753793_100000210202 [1,0,0,0,0,0|2,1,0]=4 176 B12R1.114 CCSc1ccc(cc1F)SC 62a_100000210202_100009816902 [1,0,0,0,0,0|2,1,0]=4 177 B12R1.114 CCSc1ccc(cc1F)SC 62a_100009816902_100000210202 [1,0,0,0,0,0|2,1,0]=4 178 B12R1.114 CCSc1ccc(cc1N)OC 62a_100000210202_100000748021 [1,0,0,0,0,0|2,1,0]=4 179 B12R1.114 CCSc1ccc(cc1N)OC 62a_100000748021_100000210202 [1,0,0,0,0,0|2,1,0]=4 180 B12R1.114 CCSc1ccc(cc1O)C#N 62a_100000210202_100009877741 [1,0,0,0,0,0|1,1,1]=4 181 B12R1.114 CCSc1ccc(cc1O)C=O 62a_100000041418_100000210202 [1,0,0,0,0,0|1,1,0]=3 182 B12R1.114 CCSc1ccc(cc1O)C=O 62a_100000210202_100000041418 [1,0,0,0,0,0|1,1,0]=3 183 B12R1.114 CCSc1ccc(cc1O)CO 62a_100000049605_100000210202 [1,0,0,0,0,0|1,1,1]=4 184 B12R1.114 CCSc1ccc(cc1O)CO 62a_100000210202_100000049605 [1,0,0,0,0,0|1,1,1]=4 185 B12R1.114 CCSc1ccc(cc1O)OC 62a_100000210202_100000719091 [1,0,0,0,0,0|1,1,0]=3 186 B12R1.114 CCSc1cnc(cc1O)OC 62a_100000210202_100010738159 [1,0,0,0,0,0|2,1,0]=4 187 B12R1.114 CCSc1cnc(cc1O)OC 62a_100010738159_100000210202 [1,0,0,0,0,0|2,1,0]=4 188 B12R1.114 CCc1ccc(c(c1)Br)OCF 34a_100012339963_100015361967 [1,0,0,0,0,0|2,0,1]=4 189 B12R1.114 CCc1ccc(c(c1)Br)OCF 7a_100012339963_100015361967 [1,0,0,0,0,0|2,0,1]=4 190 B12R1.114 CCc1ccc(c(c1)N)OCF 34a_100000765835_100015361967 [1,0,0,0,0,0|2,0,1]=4 191 B12R1.114 CCc1ccc(c(c1)N)OCF 7a_100000765835_100015361967 [1,0,0,0,0,0|2,0,1]=4 192 B12R1.114 CCc1ccc(c(c1)O)NCF 34a_100000124328_100015361967 [1,0,0,0,0,0|2,0,1]=4 193 B12R1.114 COc1ccc(c(c1)Br)OCF 34a_100000685887_100015361967 [1,0,0,0,0,0|3,0,0]=4 194 B12R1.114 COc1ccc(c(c1)Br)OCF 7a_100000685887_100015361967 [1,0,0,0,0,0|3,0,0]=4 195 B12R1.114 COc1ccc(c(c1)C)OCF 34a_100012002223_100015361967 [1,0,0,0,0,0|3,0,0]=4 196 B12R1.114 COc1ccc(c(c1)C)OCF 7a_100012002223_100015361967 [1,0,0,0,0,0|3,0,0]=4 197 B12R1.114 COc1ccc(c(c1)Cl)OCF 34a_100000038596_100015361967 [1,0,0,0,0,0|3,0,0]=4 198 B12R1.114 COc1ccc(c(c1)Cl)OCF 7a_100000038596_100015361967 [1,0,0,0,0,0|3,0,0]=4 199 B12R1.114 COc1ccc(c(c1)F)OCF 34a_100000036999_100015361967 [1,0,0,0,0,0|3,0,0]=4 200 B12R1.114 COc1ccc(c(c1)F)OCF 7a_100000036999_100015361967 [1,0,0,0,0,0|3,0,0]=4 201 B12R1.114 COc1ccc(c(c1)N)OCF 34a_100000188146_100015361967 [1,0,0,0,0,0|3,0,0]=4 202 B12R1.114 COc1ccc(c(c1)O)NCF 34a_100016989039_100015361967 [1,0,0,0,0,0|3,0,0]=4 203 B12R1.114 COc1ccc(c(c1)O)SCF 62a_100015361967_100000719091 [1,0,0,0,0,0|2,1,0]=4 204 B12R1.114 O=Cc1ccc(c(c1)O)SCF 62a_100000041418_100015361967 [1,0,0,0,0,0|2,1,0]=4 205 B12R1.114 O=Cc1ccc(c(c1)O)SCF 62a_100015361967_100000041418 [1,0,0,0,0,0|2,1,0]=4 206 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100000210202_100016259036 [1,0,0,0,0,0|0,1,0]=2 207 B12R1.116 C/C=C/c1ccc(cc1)SCC 62a_100016259036_100000210202 [1,0,0,0,0,0|0,1,0]=2 208 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100015361967_100016259036 [1,0,0,0,0,0|1,1,0]=3 209 B12R1.116 C/C=C/c1ccc(cc1)SCF 62a_100016259036_100015361967 [1,0,0,0,0,0|1,1,0]=3 210 B12R1.116 C=C=Cc1ccc(cc1)/C=C/C 271570a_100015277604_100016259036 [1,0,0,0,0,0|1,0,2]=4 211 B12R1.116 C=C=Cc1ccc(cc1)CCC 271570a_100015277604_100000750032 [1,0,0,0,0,0|1,0,2]=4 212 B12R1.116 C=C=Cc1ccc(cc1)NCC 271570a_100015277604_100000219632 [1,0,0,0,0,0|1,0,2]=4 213 B12R1.116 C=C=Cc1ccc(cc1)OCC 271570a_100015277604_100000169946 [1,0,0,0,0,0|0,0,2]=3 214 B12R1.116 C=C=Cc1ccc(cc1)SCC 271570a_100015277604_200009811893 [1,0,0,0,0,0|0,1,2]=4 215 B12R1.116 C=C=Cc1ccc(cn1)OCC 271570a_100015277604_100000753957 [1,0,0,0,0,0|1,0,2]=4 216 B12R1.116 C=C=Cc1ccc(nc1)OCC 271570a_100015277604_100011219444 [1,0,0,0,0,0|1,0,2]=4 217 B12R1.116 C=CCc1ccc(cc1)OCC 34a_100000078792_100000210202 [1,0,0,0,0,0|0,0,2]=3 218 B12R1.116 C=CCc1ccc(cc1)OCC 7a_100000078792_100000210202 [1,0,0,0,0,0|0,0,2]=3 219 B12R1.116 C=CCc1ccc(cc1)OCF 34a_100000078792_100015361967 [1,0,0,0,0,0|1,0,2]=4 220 B12R1.116 C=CCc1ccc(cc1)OCF 7a_100000078792_100015361967 [1,0,0,0,0,0|1,0,2]=4 221 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000210202_100000704263 [1,0,0,0,0,0|1,1,1]=4 222 B12R1.116 C=COc1ccc(cc1)SCC 62a_100000704263_100000210202 [1,0,0,0,0,0|1,1,1]=4 223 B12R1.116 CC=Cc1ccc(cc1)/C=C/Br 271570a_100016259895_200016255901 [1,0,0,0,0,0|2,0,1]=4 224 B12R1.116 CC=Cc1ccc(cc1)/C=C/C 271570a_100016259895_100016259036 [1,0,0,0,0,0|1,0,1]=3 225 B12R1.116 CC=Cc1ccc(cc1)CC#N 271570a_100016259895_100011217881 [1,0,0,0,0,0|2,0,1]=4 226 B12R1.116 CC=Cc1ccc(cc1)CC=O 271570a_100016259895_100011361690 [1,0,0,0,0,0|2,0,1]=4 227 B12R1.116 CC=Cc1ccc(cc1)CCC 271570a_100016259895_100000750032 [1,0,0,0,0,0|1,0,0]=2 228 B12R1.116 CC=Cc1ccc(cc1)CCN 271570a_100016259895_100000755846 [1,0,0,0,0,0|2,0,0]=3 229 B12R1.116 CC=Cc1ccc(cc1)CCO 271570a_100016259895_100000766406 [1,0,0,0,0,0|2,0,0]=3 230 B12R1.116 CC=Cc1ccc(cc1)CNC 271570a_100016259895_100000180866 [1,0,0,0,0,0|2,0,0]=3 231 B12R1.116 CC=Cc1ccc(cc1)CNN 271570a_100016259895_100016993955 [1,0,0,0,0,0|3,0,0]=4 232 B12R1.116 CC=Cc1ccc(cc1)COC 271570a_100016259895_100011493685 [1,0,0,0,0,0|2,0,0]=3 233 B12R1.116 CC=Cc1ccc(cc1)N=[N+]=[N-] 271570a_100016259895_100000735661 [1,0,0,0,0,0|3,0,0]=4 234 B12R1.116 CC=Cc1ccc(cc1)NC#N 271570a_100016259895_100011685341 [1,0,0,0,0,0|2,0,1]=4 235 B12R1.116 CC=Cc1ccc(cc1)NCC 271570a_100016259895_100000219632 [1,0,0,0,0,0|1,0,0]=2 236 B12R1.116 CC=Cc1ccc(cc1)OCC 271570a_100016259895_100000169946 [1,0,0,0,0,0|0,0,0]=1 237 B12R1.116 CC=Cc1ccc(cc1)SCC 271570a_100016259895_200009811893 [1,0,0,0,0,0|0,1,0]=2 238 B12R1.116 CC=Cc1ccc(cn1)CCO 271570a_100016259895_100009880866 [1,0,0,0,0,0|3,0,0]=4 239 B12R1.116 CC=Cc1ccc(cn1)CNC 271570a_100016259895_100000026953 [1,0,0,0,0,0|3,0,0]=4 240 B12R1.116 CC=Cc1ccc(cn1)CSC 271570a_100016259895_100000753673 [1,0,0,0,0,0|3,0,0]=4 241 B12R1.116 CC=Cc1ccc(cn1)OCC 271570a_100016259895_100000753957 [1,0,0,0,0,0|1,0,0]=2 242 B12R1.116 CC=Cc1ccc(nc1)CCO 271570a_100016259895_100012357577 [1,0,0,0,0,0|3,0,0]=4 243 B12R1.116 CC=Cc1ccc(nc1)NCC 271570a_100016259895_100000741496 [1,0,0,0,0,0|2,0,0]=3 244 B12R1.116 CC=Cc1ccc(nc1)OCC 271570a_100016259895_100011219444 [1,0,0,0,0,0|1,0,0]=2 245 B12R1.116 CC=Cc1ccc(nc1)SCC 271570a_100016259895_100000690189 [1,0,0,0,0,0|1,1,0]=3 246 B12R1.116 CC=Cc1ccc(nn1)NCC 271570a_100016259895_100000215268 [1,0,0,0,0,0|3,0,0]=4 247 B12R1.116 CC=Cc1ccc(nn1)OCC 271570a_100016259895_100000757289 [1,0,0,0,0,0|2,0,0]=3 248 B12R1.116 CC=Cc1cnc(cn1)OCC 271570a_100016259895_200012356188 [1,0,0,0,0,0|2,0,0]=3 249 B12R1.116 CC=Cc1cnc(nc1)OCC 271570a_100016259895_100011934766 [1,0,0,0,0,0|2,0,0]=3 250 B12R1.116 CC=Cc1cnc(nc1)SCC 271570a_100016259895_200011939514 [1,0,0,0,0,0|2,1,0]=4 251 B12R1.116 CC=Cc1ncc(cn1)CCC 271570a_100016259895_100000039067 [1,0,0,0,0,0|3,0,0]=4 252 B12R1.116 CC=Cc1ncc(cn1)OCC 271570a_100016259895_100000099823 [1,0,0,0,0,0|2,0,0]=3 253 B12R1.116 CCCc1ccc(cc1)CNC 207a_100102657272_100000229940 [1,0,0,0,0,0|2,0,1]=4 254 B12R1.116 CCCc1ccc(cc1)CNC 2230a_100020632977_200000210301 [1,0,0,0,0,0|2,0,1]=4 255 B12R1.116 CCCc1ccc(cc1)CNC 2230a_106832991635_100011982809 [1,0,0,0,0,0|2,0,1]=4 256 B12R1.116 CCCc1ccc(cc1)CNC 26a_100102657272_100000749406 [1,0,0,0,0,0|2,0,1]=4 257 B12R1.116 CCCc1ccc(cc1)CNC 270004a_106832991635_100000229940 [1,0,0,0,0,0|2,0,1]=4 258 B12R1.116 CCCc1ccc(cc1)CNC 34a_100020632977_200000210301 [1,0,0,0,0,0|2,0,1]=4 259 B12R1.116 CCCc1ccc(cc1)CNC 34a_100102657272_100011982809 [1,0,0,0,0,0|2,0,1]=4 260 B12R1.116 CCCc1ccc(cc1)CNC 7a_106832991635_100011982809 [1,0,0,0,0,0|2,0,1]=4 261 B12R1.116 CCCc1ccc(cc1)CN[13CH3] 2230a_100020632977_200025704644 [1,0,0,0,0,0|2,0,1]=4 262 B12R1.116 CCCc1ccc(cc1)CN[13CH3] 34a_100020632977_200025704644 [1,0,0,0,0,0|2,0,1]=4 263 B12R1.116 CCCc1ccc(cc1)COC 34a_100138415774_100011982809 [1,0,0,0,0,0|2,0,1]=4 264 B12R1.116 CCCc1ccc(cc1)CSC 62a_100011982809_200000210301 [1,0,0,0,0,0|2,0,1]=4 265 B12R1.116 CCCc1ccc(cc1)CSC 62a_200000210301_100011982809 [1,0,0,0,0,0|2,0,1]=4 266 B12R1.116 CCCc1ccc(cc1)CS[13CH3] 62a_100011982809_200025704644 [1,0,0,0,0,0|2,0,1]=4 267 B12R1.116 CCCc1ccc(cc1)CS[13CH3] 62a_200025704644_100011982809 [1,0,0,0,0,0|2,0,1]=4 268 B12R1.116 CCCc1ccc(cc1)NCC 2230a_100000211780_100000210202 [1,0,0,0,0,0|1,0,2]=4 269 B12R1.116 CCCc1ccc(cc1)NCC 34a_100000211780_100000210202 [1,0,0,0,0,0|1,0,2]=4 270 B12R1.116 CCCc1ccc(cc1)OCC 34a_100000749406_100000210202 [1,0,0,0,0,0|0,0,2]=3 271 B12R1.116 CCCc1ccc(cc1)OCC 7a_100000749406_100000210202 [1,0,0,0,0,0|0,0,2]=3 272 B12R1.116 CCCc1ccc(cc1)OCF 34a_100000749406_100015361967 [1,0,0,0,0,0|1,0,2]=4 273 B12R1.116 CCCc1ccc(cc1)OCF 7a_100000749406_100015361967 [1,0,0,0,0,0|1,0,2]=4 274 B12R1.116 CCCc1ccc(cc1)SCC 62a_100000210202_100000750032 [1,0,0,0,0,0|0,1,2]=4 275 B12R1.116 CCCc1ccc(cc1)SCC 62a_100000750032_100000210202 [1,0,0,0,0,0|0,1,2]=4 276 B12R1.116 CCNc1ccc(cc1)COC 34a_100000694113_100000210202 [1,0,0,0,0,0|2,0,1]=4 277 B12R1.116 CCNc1ccc(cc1)CSC 2230a_106726388226_100000210202 [1,0,0,0,0,0|2,0,1]=4 278 B12R1.116 CCNc1ccc(cc1)CSC 34a_106726388226_100000210202 [1,0,0,0,0,0|2,0,1]=4 279 B12R1.116 CCNc1ccc(cc1)CSC 7a_106726388226_100000210202 [1,0,0,0,0,0|2,0,1]=4 280 B12R1.116 CCNc1ccc(cc1)OCC 2230a_100000739623_100000210202 [1,0,0,0,0,0|1,0,1]=3 281 B12R1.116 CCNc1ccc(cc1)OCC 34a_100000739623_100000210202 [1,0,0,0,0,0|1,0,1]=3 282 B12R1.116 CCNc1ccc(cc1)OCC 34a_100011337800_100000210202 [1,0,0,0,0,0|1,0,1]=3 283 B12R1.116 CCNc1ccc(cc1)OCC 7a_100011337800_100000210202 [1,0,0,0,0,0|1,0,1]=3 284 B12R1.116 CCNc1ccc(cc1)OCF 34a_100011337800_100015361967 [1,0,0,0,0,0|2,0,1]=4 285 B12R1.116 CCNc1ccc(cc1)OCF 7a_100011337800_100015361967 [1,0,0,0,0,0|2,0,1]=4 286 B12R1.116 CCNc1ccc(cc1)SCC 34a_100015187087_100000210202 [1,0,0,0,0,0|1,1,1]=4 287 B12R1.116 CCNc1ccc(cc1)SCC 62a_100000210202_100000219632 [1,0,0,0,0,0|1,1,1]=4 288 B12R1.116 CCOc1ccc(cc1)CC#N 34a_100000198970_100000210202 [1,0,0,0,0,0|1,0,2]=4 289 B12R1.116 CCOc1ccc(cc1)CC#N 7a_100000198970_100000210202 [1,0,0,0,0,0|1,0,2]=4 290 B12R1.116 CCOc1ccc(cc1)CCBr 34a_100009816426_100000210202 [1,0,0,0,0,0|1,0,2]=4 291 B12R1.116 CCOc1ccc(cc1)CCBr 7a_100009816426_100000210202 [1,0,0,0,0,0|1,0,2]=4 292 B12R1.116 CCOc1ccc(cc1)CCN 34a_100000743037_100000210202 [1,0,0,0,0,0|1,0,2]=4 293 B12R1.116 CCOc1ccc(cc1)CCO 34a_100011215338_100000210202 [1,0,0,0,0,0|1,0,2]=4 294 B12R1.116 CCOc1ccc(cc1)CCO 7a_100011215338_100000210202 [1,0,0,0,0,0|1,0,2]=4 295 B12R1.116 CCOc1ccc(cc1)CNC 207a_100102657272_100000169836 [1,0,0,0,0,0|1,0,1]=3 296 B12R1.116 CCOc1ccc(cc1)CNC 2230a_100000185588_200000210301 [1,0,0,0,0,0|1,0,1]=3 297 B12R1.116 CCOc1ccc(cc1)CNC 270004a_106832991635_100000169836 [1,0,0,0,0,0|1,0,1]=3 298 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000185588_200000210301 [1,0,0,0,0,0|1,0,1]=3 299 B12R1.116 CCOc1ccc(cc1)CNC 34a_100000207500_100000210202 [1,0,0,0,0,0|1,0,1]=3 300 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 2230a_100000185588_200025704644 [1,0,0,0,0,0|1,0,1]=3 301 B12R1.116 CCOc1ccc(cc1)CN[13CH3] 34a_100000185588_200025704644 [1,0,0,0,0,0|1,0,1]=3 302 B12R1.116 CCOc1ccc(cc1)COC 34a_100000173027_200000210301 [1,0,0,0,0,0|1,0,1]=3 303 B12R1.116 CCOc1ccc(cc1)COC 34a_200011995677_100000210202 [1,0,0,0,0,0|1,0,1]=3 304 B12R1.116 CCOc1ccc(cc1)COC 7a_100000173027_200000210301 [1,0,0,0,0,0|1,0,1]=3 305 B12R1.116 CCOc1ccc(cc1)COC 7a_200011995677_100000210202 [1,0,0,0,0,0|1,0,1]=3 306 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 34a_100000173027_200025704644 [1,0,0,0,0,0|1,0,1]=3 307 B12R1.116 CCOc1ccc(cc1)CO[13CH3] 7a_100000173027_200025704644 [1,0,0,0,0,0|1,0,1]=3 308 B12R1.116 CCOc1ccc(cc1)NCF 34a_100000739623_100015361967 [1,0,0,0,0,0|2,0,1]=4 309 B12R1.116 CCOc1ccc(cc1)OCC 34a_100000185467_100000210202 [1,0,0,0,0,0|1,0,1]=3 310 B12R1.116 CCOc1ccc(cc1)OCF 34a_100000185467_100015361967 [1,0,0,0,0,0|2,0,1]=4 311 B12R1.116 CCOc1ccc(cc1)SCC 62a_100000210202_100000171712 [1,0,0,0,0,0|1,0,1]=3 312 B12R1.116 CCOc1ccc(cc1)SCF 62a_100015361967_100000171712 [1,0,0,0,0,0|2,0,1]=4 313 B12R1.116 CCOc1ccc(cn1)CNC 207a_100102657272_100012002837 [1,0,0,0,0,0|2,0,1]=4 314 B12R1.116 CCOc1ccc(cn1)CNC 2230a_100102710506_200000210301 [1,0,0,0,0,0|2,0,1]=4 315 B12R1.116 CCOc1ccc(cn1)CNC 270004a_106832991635_100012002837 [1,0,0,0,0,0|2,0,1]=4 316 B12R1.116 CCOc1ccc(cn1)CN[13CH3] 2230a_100102710506_200025704644 [1,0,0,0,0,0|2,0,1]=4 317 B12R1.116 CCOc1ccc(cn1)SCC 62a_100000210202_100011219444 [1,0,0,0,0,0|2,0,1]=4 318 B12R1.116 CCOc1ccc(cn1)SCC 62a_100011219444_100000210202 [1,0,0,0,0,0|2,0,1]=4 319 B12R1.116 CCOc1ccc(nc1)COC 34a_200012645146_200000210301 [1,0,0,0,0,0|2,0,1]=4 320 B12R1.116 CCOc1ccc(nc1)CO[13CH3] 34a_200012645146_200025704644 [1,0,0,0,0,0|2,0,1]=4 321 B12R1.116 CCOc1ccc(nc1)SCC 62a_100000210202_100000753957 [1,0,0,0,0,0|2,0,1]=4 322 B12R1.116 CCOc1ccc(nc1)SCC 62a_100012355646_100000210202 [1,0,0,0,0,0|2,0,1]=4 323 B12R1.116 CCSc1ccc(cc1)/C=C/Br 62a_100000210202_200016255901 [1,0,0,0,0,0|1,1,0]=3 324 B12R1.116 CCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000210202 [1,0,0,0,0,0|1,1,0]=3 325 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100000210202_100011361690 [1,0,0,0,0,0|1,1,1]=4 326 B12R1.116 CCSc1ccc(cc1)CC=O 62a_100011361690_100000210202 [1,0,0,0,0,0|1,1,1]=4 327 B12R1.116 CCSc1ccc(cc1)CNC 62a_100000180866_100000210202 [1,0,0,0,0,0|1,1,1]=4 328 B12R1.116 CCSc1ccc(cc1)CNC 62a_100000210202_100000180866 [1,0,0,0,0,0|1,1,1]=4 329 B12R1.116 CCSc1ccc(cc1)COC 62a_100000210202_100011493685 [1,0,0,0,0,0|1,1,1]=4 330 B12R1.116 CCSc1ccc(cc1)COC 62a_100011493685_100000210202 [1,0,0,0,0,0|1,1,1]=4 331 B12R1.116 CCSc1ccc(cc1)SCC 62a_100000210202_200009811893 [1,0,0,0,0,0|1,1,1]=4 332 B12R1.116 CCSc1ccc(cc1)SCC 62a_200009811893_100000210202 [1,0,0,0,0,0|1,1,1]=4 333 B12R1.116 CNCc1ccc(cc1)OCF 34a_100000207500_100015361967 [1,0,0,0,0,0|2,0,1]=4 334 B12R1.116 COCc1ccc(cc1)OCF 34a_200011995677_100015361967 [1,0,0,0,0,0|2,0,1]=4 335 B12R1.116 COCc1ccc(cc1)OCF 7a_200011995677_100015361967 [1,0,0,0,0,0|2,0,1]=4 336 B12R1.116 FCSc1ccc(cc1)/C=C/Br 62a_100015361967_200016255901 [1,0,0,0,0,0|2,1,0]=4 337 B12R1.116 FCSc1ccc(cc1)/C=C/Br 62a_200016255901_100015361967 [1,0,0,0,0,0|2,1,0]=4 338 B12R1.288 C=C=Cc1cc(c(cn1)OC)O 271570a_100015277604_100010264082 [1,0,0,0,0,0|1,0,2]=4 339 B12R1.288 C=C=Cc1ccc(c(c1)Br)OC 271570a_100015277604_100011249507 [1,0,0,0,0,0|1,0,2]=4 340 B12R1.288 C=C=Cc1ccc(c(c1)C)OC 271570a_100015277604_100011219705 [1,0,0,0,0,0|1,0,2]=4 341 B12R1.288 C=C=Cc1ccc(c(c1)Cl)OC 271570a_100015277604_100012355395 [1,0,0,0,0,0|1,0,2]=4 342 B12R1.288 C=C=Cc1ccc(c(c1)F)CC 271570a_100015277604_200010071577 [1,0,0,0,0,0|1,0,2]=4 343 B12R1.288 C=C=Cc1ccc(c(c1)F)OC 271570a_100015277604_100000185480 [1,0,0,0,0,0|1,0,2]=4 344 B12R1.288 C=C=Cc1ccc(c(c1)N)CC 271570a_100015277604_100012354963 [1,0,0,0,0,0|1,0,2]=4 345 B12R1.288 C=C=Cc1ccc(c(c1)N)OC 271570a_100015277604_100000743470 [1,0,0,0,0,0|1,0,2]=4 346 B12R1.288 C=C=Cc1ccc(c(c1)O)CO 271570a_100015277604_100000071718 [1,0,0,0,0,0|1,0,2]=4 347 B12R1.288 C=C=Cc1ccc(c(c1)O)OC 271570a_100015277604_100009816560 [1,0,0,0,0,0|0,0,2]=3 348 B12R1.288 C=C=Cc1cnc(c(c1)O)OC 271570a_100015277604_100010135713 [1,0,0,0,0,0|1,0,2]=4 349 B12R1.288 CC=Cc1cc(c(cn1)CO)C 271570a_100016259895_100010277336 [1,0,0,0,0,0|3,0,0]=4 350 B12R1.288 CC=Cc1cc(c(cn1)CO)N 271570a_100016259895_100009830438 [1,0,0,0,0,0|3,0,0]=4 351 B12R1.288 CC=Cc1cc(c(cn1)NC)N 271570a_100016259895_200015721873 [1,0,0,0,0,0|3,0,0]=4 352 B12R1.288 CC=Cc1cc(c(cn1)OC)N 271570a_100016259895_100010896307 [1,0,0,0,0,0|2,0,0]=3 353 B12R1.288 CC=Cc1cc(c(cn1)OC)O 271570a_100016259895_100010264082 [1,0,0,0,0,0|1,0,0]=2 354 B12R1.288 CC=Cc1cc(c(nn1)OC)C 271570a_100016259895_100010272851 [1,0,0,0,0,0|3,0,0]=4 355 B12R1.288 CC=Cc1ccc(c(c1)Br)C#N 271570a_100016259895_100012349582 [1,0,0,0,0,0|2,0,1]=4 356 B12R1.288 CC=Cc1ccc(c(c1)Br)C=O 271570a_100016259895_100010185650 [1,0,0,0,0,0|2,0,1]=4 357 B12R1.288 CC=Cc1ccc(c(c1)Br)CO 271570a_100016259895_100010240206 [1,0,0,0,0,0|2,0,0]=3 358 B12R1.288 CC=Cc1ccc(c(c1)Br)OC 271570a_100016259895_100011249507 [1,0,0,0,0,0|1,0,0]=2 359 B12R1.288 CC=Cc1ccc(c(c1)C)C#N 271570a_100016259895_100000687762 [1,0,0,0,0,0|2,0,1]=4 360 B12R1.288 CC=Cc1ccc(c(c1)C)C=O 271570a_100016259895_100000687586 [1,0,0,0,0,0|2,0,1]=4 361 B12R1.288 CC=Cc1ccc(c(c1)C)CF 271570a_100016259895_200010711859 [1,0,0,0,0,0|2,0,0]=3 362 B12R1.288 CC=Cc1ccc(c(c1)C)CN 271570a_100016259895_100000753881 [1,0,0,0,0,0|2,0,0]=3 363 B12R1.288 CC=Cc1ccc(c(c1)C)CO 271570a_100016259895_100000748258 [1,0,0,0,0,0|2,0,0]=3 364 B12R1.288 CC=Cc1ccc(c(c1)C)NC 271570a_100016259895_100000221803 [1,0,0,0,0,0|2,0,0]=3 365 B12R1.288 CC=Cc1ccc(c(c1)C)NN 271570a_100016259895_100000751375 [1,0,0,0,0,0|3,0,0]=4 366 B12R1.288 CC=Cc1ccc(c(c1)C)OC 271570a_100016259895_100011219705 [1,0,0,0,0,0|1,0,0]=2 367 B12R1.288 CC=Cc1ccc(c(c1)Cl)C#N 271570a_100016259895_100012349662 [1,0,0,0,0,0|2,0,1]=4 368 B12R1.288 CC=Cc1ccc(c(c1)Cl)C=O 271570a_100016259895_100000727542 [1,0,0,0,0,0|2,0,1]=4 369 B12R1.288 CC=Cc1ccc(c(c1)Cl)OC 271570a_100016259895_100012355395 [1,0,0,0,0,0|1,0,0]=2 370 B12R1.288 CC=Cc1ccc(c(c1)Cl)SC 271570a_100016259895_206447510565 [1,0,0,0,0,0|1,1,0]=3 371 B12R1.288 CC=Cc1ccc(c(c1)F)C#N 271570a_100016259895_100000037869 [1,0,0,0,0,0|2,0,1]=4 372 B12R1.288 CC=Cc1ccc(c(c1)F)C=O 271570a_100016259895_100000211676 [1,0,0,0,0,0|2,0,1]=4 373 B12R1.288 CC=Cc1ccc(c(c1)F)CC 271570a_100016259895_200010071577 [1,0,0,0,0,0|1,0,0]=2 374 B12R1.288 CC=Cc1ccc(c(c1)F)CN 271570a_100016259895_100000754580 [1,0,0,0,0,0|2,0,0]=3 375 B12R1.288 CC=Cc1ccc(c(c1)F)CO 271570a_100016259895_100011191541 [1,0,0,0,0,0|2,0,0]=3 376 B12R1.288 CC=Cc1ccc(c(c1)F)NC 271570a_100016259895_100000743884 [1,0,0,0,0,0|2,0,0]=3 377 B12R1.288 CC=Cc1ccc(c(c1)F)NN 271570a_100016259895_100000751572 [1,0,0,0,0,0|3,0,0]=4 378 B12R1.288 CC=Cc1ccc(c(c1)F)OC 271570a_100016259895_100000185480 [1,0,0,0,0,0|1,0,0]=2 379 B12R1.288 CC=Cc1ccc(c(c1)F)SC 271570a_100016259895_100010161220 [1,0,0,0,0,0|1,1,0]=3 380 B12R1.288 CC=Cc1ccc(c(c1)N)C#N 271570a_100016259895_100000699244 [1,0,0,0,0,0|2,0,1]=4 381 B12R1.288 CC=Cc1ccc(c(c1)N)C=O 271570a_100016259895_100009814810 [1,0,0,0,0,0|2,0,1]=4 382 B12R1.288 CC=Cc1ccc(c(c1)N)CC 271570a_100016259895_100012354963 [1,0,0,0,0,0|1,0,0]=2 383 B12R1.288 CC=Cc1ccc(c(c1)N)CO 271570a_100016259895_100000718831 [1,0,0,0,0,0|2,0,0]=3 384 B12R1.288 CC=Cc1ccc(c(c1)N)NC 271570a_100016259895_100000741790 [1,0,0,0,0,0|2,0,0]=3 385 B12R1.288 CC=Cc1ccc(c(c1)N)OC 271570a_100016259895_100000743470 [1,0,0,0,0,0|1,0,0]=2 386 B12R1.288 CC=Cc1ccc(c(c1)O)C#N 271570a_100016259895_100011934713 [1,0,0,0,0,0|1,0,1]=3 387 B12R1.288 CC=Cc1ccc(c(c1)O)C=O 271570a_100016259895_100011277552 [1,0,0,0,0,0|1,0,1]=3 388 B12R1.288 CC=Cc1ccc(c(c1)O)CO 271570a_100016259895_100000071718 [1,0,0,0,0,0|1,0,0]=2 389 B12R1.288 CC=Cc1ccc(c(c1)O)OC 271570a_100016259895_100009816560 [1,0,0,0,0,0|0,0,0]=1 390 B12R1.288 CC=Cc1ccc(c(n1)Br)OC 271570a_100016259895_100010214827 [1,0,0,0,0,0|2,0,0]=3 391 B12R1.288 CC=Cc1ccc(c(n1)C)OC 271570a_100016259895_100010244750 [1,0,0,0,0,0|2,0,0]=3 392 B12R1.288 CC=Cc1ccc(c(n1)Cl)OC 271570a_100016259895_100010233546 [1,0,0,0,0,0|2,0,0]=3 393 B12R1.288 CC=Cc1ccc(c(n1)F)CO 271570a_100016259895_100009870654 [1,0,0,0,0,0|3,0,0]=4 394 B12R1.288 CC=Cc1ccc(c(n1)F)OC 271570a_100016259895_100010138636 [1,0,0,0,0,0|2,0,0]=3 395 B12R1.288 CC=Cc1ccc(c(n1)N)OC 271570a_100016259895_100010192976 [1,0,0,0,0,0|2,0,0]=3 396 B12R1.288 CC=Cc1cnc(c(c1)Br)OC 271570a_100016259895_200010988584 [1,0,0,0,0,0|2,0,0]=3 397 B12R1.288 CC=Cc1cnc(c(c1)C)CO 271570a_100016259895_100010116297 [1,0,0,0,0,0|3,0,0]=4 398 B12R1.288 CC=Cc1cnc(c(c1)C)NC 271570a_100016259895_100012357622 [1,0,0,0,0,0|3,0,0]=4 399 B12R1.288 CC=Cc1cnc(c(c1)C)OC 271570a_100016259895_100011290809 [1,0,0,0,0,0|2,0,0]=3 400 B12R1.288 CC=Cc1cnc(c(c1)F)CN 271570a_100016259895_100015188786 [1,0,0,0,0,0|3,0,0]=4 401 B12R1.288 CC=Cc1cnc(c(c1)F)CO 271570a_100016259895_100010065252 [1,0,0,0,0,0|3,0,0]=4 402 B12R1.288 CC=Cc1cnc(c(c1)F)OC 271570a_100016259895_100011880707 [1,0,0,0,0,0|2,0,0]=3 403 B12R1.288 CC=Cc1cnc(c(c1)N)NC 271570a_100016259895_100011432983 [1,0,0,0,0,0|3,0,0]=4 404 B12R1.288 CC=Cc1cnc(c(c1)N)OC 271570a_100016259895_100000748608 [1,0,0,0,0,0|2,0,0]=3 405 B12R1.288 CC=Cc1cnc(c(c1)O)C#N 271570a_100016259895_200013853302 [1,0,0,0,0,0|2,0,1]=4 406 B12R1.288 CC=Cc1cnc(c(c1)O)OC 271570a_100016259895_100010135713 [1,0,0,0,0,0|1,0,0]=2 407 B12R1.288 CC=Cc1ncc(c(n1)C)OC 271570a_100016259895_100010382893 [1,0,0,0,0,0|3,0,0]=4 408 B12R1.288 CC=Cc1ncc(c(n1)N)OC 271570a_100016259895_100009886850 [1,0,0,0,0,0|3,0,0]=4 409 B12R1.288 CCNc1ccc(c(c1)Br)OC 34a_100000187427_100000210202 [1,0,0,0,0,0|2,0,1]=4 410 B12R1.288 CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210202 [1,0,0,0,0,0|2,0,1]=4 411 B12R1.288 CCNc1ccc(c(c1)C)OC 34a_100000743268_100000210202 [1,0,0,0,0,0|2,0,1]=4 412 B12R1.288 CCNc1ccc(c(c1)C)OC 7a_100000743268_100000210202 [1,0,0,0,0,0|2,0,1]=4 413 B12R1.288 CCNc1ccc(c(c1)Cl)CC 2230a_100000766362_100000210202 [1,0,0,0,0,0|2,0,1]=4 414 B12R1.288 CCNc1ccc(c(c1)Cl)CC 34a_100000766362_100000210202 [1,0,0,0,0,0|2,0,1]=4 415 B12R1.288 CCNc1ccc(c(c1)Cl)CC 7a_100000766362_100000210202 [1,0,0,0,0,0|2,0,1]=4 416 B12R1.288 CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000210202 [1,0,0,0,0,0|2,0,1]=4 417 B12R1.288 CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100000210202 [1,0,0,0,0,0|2,0,1]=4 418 B12R1.288 CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000210202 [1,0,0,0,0,0|2,0,1]=4 419 B12R1.288 CCNc1ccc(c(c1)F)OC 34a_100000740183_100000210202 [1,0,0,0,0,0|2,0,1]=4 420 B12R1.288 CCNc1ccc(c(c1)I)OC 34a_100011356947_100000210202 [1,0,0,0,0,0|2,0,1]=4 421 B12R1.288 CCNc1ccc(c(c1)O)OC 34a_100000211920_100000210202 [1,0,0,0,0,0|1,0,1]=3 422 B12R1.288 CCOc1ccc(c(c1)Br)OC 34a_100010234764_100000210202 [1,0,0,0,0,0|2,0,1]=4 423 B12R1.288 CCOc1ccc(c(c1)Br)OC 7a_100010234764_100000210202 [1,0,0,0,0,0|2,0,1]=4 424 B12R1.288 CCOc1ccc(c(c1)C)OC 34a_100000759738_100000210202 [1,0,0,0,0,0|2,0,1]=4 425 B12R1.288 CCOc1ccc(c(c1)C)OC 7a_100000759738_100000210202 [1,0,0,0,0,0|2,0,1]=4 426 B12R1.288 CCOc1ccc(c(c1)Cl)CC 34a_100009886192_100000210202 [1,0,0,0,0,0|2,0,1]=4 427 B12R1.288 CCOc1ccc(c(c1)Cl)CC 7a_100009886192_100000210202 [1,0,0,0,0,0|2,0,1]=4 428 B12R1.288 CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100000210202 [1,0,0,0,0,0|2,0,1]=4 429 B12R1.288 CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100000210202 [1,0,0,0,0,0|2,0,1]=4 430 B12R1.288 CCOc1ccc(c(c1)F)OC 34a_100000746305_100000210202 [1,0,0,0,0,0|2,0,1]=4 431 B12R1.288 CCOc1ccc(c(c1)F)OC 7a_100000746305_100000210202 [1,0,0,0,0,0|2,0,1]=4 432 B12R1.288 CCOc1ccc(c(c1)I)OC 34a_100010084122_100000210202 [1,0,0,0,0,0|2,0,1]=4 433 B12R1.288 CCOc1ccc(c(c1)I)OC 7a_100010084122_100000210202 [1,0,0,0,0,0|2,0,1]=4 434 B12R1.288 CCSc1cc(c(cn1)OC)O 62a_100000210202_100010264082 [1,0,0,0,0,0|2,0,1]=4 435 B12R1.288 CCSc1ccc(c(c1)Br)OC 62a_100000210202_100011249507 [1,0,0,0,0,0|2,0,1]=4 436 B12R1.288 CCSc1ccc(c(c1)Br)OC 62a_100011249507_100000210202 [1,0,0,0,0,0|2,0,1]=4 437 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100000210202_100011219705 [1,0,0,0,0,0|2,0,1]=4 438 B12R1.288 CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210202 [1,0,0,0,0,0|2,0,1]=4 439 B12R1.288 CCSc1ccc(c(c1)Cl)OC 62a_100000210202_100012355395 [1,0,0,0,0,0|2,0,1]=4 440 B12R1.288 CCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000210202 [1,0,0,0,0,0|2,0,1]=4 441 B12R1.288 CCSc1ccc(c(c1)F)CC 62a_100000210202_200010071577 [1,0,0,0,0,0|2,0,1]=4 442 B12R1.288 CCSc1ccc(c(c1)F)CC 62a_200010071577_100000210202 [1,0,0,0,0,0|2,0,1]=4 443 B12R1.288 CCSc1ccc(c(c1)F)OC 62a_100000171752_100000210202 [1,0,0,0,0,0|2,0,1]=4 444 B12R1.288 CCSc1ccc(c(c1)F)OC 62a_100000210202_100000171752 [1,0,0,0,0,0|2,0,1]=4 445 B12R1.288 CCSc1ccc(c(c1)N)CC 62a_100000210202_100012354963 [1,0,0,0,0,0|2,0,1]=4 446 B12R1.288 CCSc1ccc(c(c1)N)CC 62a_100012354963_100000210202 [1,0,0,0,0,0|2,0,1]=4 447 B12R1.288 CCSc1ccc(c(c1)N)OC 62a_100000210202_100011249504 [1,0,0,0,0,0|2,0,1]=4 448 B12R1.288 CCSc1ccc(c(c1)N)OC 62a_100011249504_100000210202 [1,0,0,0,0,0|2,0,1]=4 449 B12R1.288 CCSc1ccc(c(c1)O)CO 62a_100000071718_100000210202 [1,0,0,0,0,0|2,0,1]=4 450 B12R1.288 CCSc1ccc(c(c1)O)CO 62a_100000210202_100000071718 [1,0,0,0,0,0|2,0,1]=4 451 B12R1.288 CCSc1ccc(c(c1)O)OC 62a_100000210202_100009816560 [1,0,0,0,0,0|1,0,1]=3 452 B12R1.288 CCSc1cnc(c(c1)O)OC 62a_100000210202_100010135713 [1,0,0,0,0,0|2,0,1]=4 453 B12R1.288 CCc1ccc(cc1Cl)CNC 26a_100102657272_100009886192 [1,0,0,0,0,0|2,0,1]=4 454 B12R1.288 CNCc1ccc(c(c1)Br)OC 207a_100102657272_100000173361 [1,0,0,0,0,0|2,0,1]=4 455 B12R1.288 CNCc1ccc(c(c1)Br)OC 2230a_106832991635_200011397701 [1,0,0,0,0,0|2,0,1]=4 456 B12R1.288 CNCc1ccc(c(c1)Br)OC 26a_100102657272_100010234764 [1,0,0,0,0,0|2,0,1]=4 457 B12R1.288 CNCc1ccc(c(c1)Br)OC 270004a_106832991635_100000173361 [1,0,0,0,0,0|2,0,1]=4 458 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100102657272_200011397701 [1,0,0,0,0,0|2,0,1]=4 459 B12R1.288 CNCc1ccc(c(c1)Br)OC 34a_100159240714_200000210301 [1,0,0,0,0,0|2,0,1]=4 460 B12R1.288 CNCc1ccc(c(c1)Br)OC 7a_106832991635_200011397701 [1,0,0,0,0,0|2,0,1]=4 461 B12R1.288 CNCc1ccc(c(c1)C)OC 207a_100102657272_100000239718 [1,0,0,0,0,0|2,0,1]=4 462 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_100102679029_200000210301 [1,0,0,0,0,0|2,0,1]=4 463 B12R1.288 CNCc1ccc(c(c1)C)OC 2230a_106832991635_200011290836 [1,0,0,0,0,0|2,0,1]=4 464 B12R1.288 CNCc1ccc(c(c1)C)OC 270004a_106832991635_100000239718 [1,0,0,0,0,0|2,0,1]=4 465 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102657272_200011290836 [1,0,0,0,0,0|2,0,1]=4 466 B12R1.288 CNCc1ccc(c(c1)C)OC 34a_100102679029_200000210301 [1,0,0,0,0,0|2,0,1]=4 467 B12R1.288 CNCc1ccc(c(c1)C)OC 7a_106832991635_200011290836 [1,0,0,0,0,0|2,0,1]=4 468 B12R1.288 CNCc1ccc(c(c1)Cl)OC 207a_100102657272_100000186747 [1,0,0,0,0,0|2,0,1]=4 469 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_100000008799_200000210301 [1,0,0,0,0,0|2,0,1]=4 470 B12R1.288 CNCc1ccc(c(c1)Cl)OC 2230a_106832991635_100000693707 [1,0,0,0,0,0|2,0,1]=4 471 B12R1.288 CNCc1ccc(c(c1)Cl)OC 26a_100102657272_200009861682 [1,0,0,0,0,0|2,0,1]=4 472 B12R1.288 CNCc1ccc(c(c1)Cl)OC 270004a_106832991635_100000186747 [1,0,0,0,0,0|2,0,1]=4 473 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100000008799_200000210301 [1,0,0,0,0,0|2,0,1]=4 474 B12R1.288 CNCc1ccc(c(c1)Cl)OC 34a_100102657272_100000693707 [1,0,0,0,0,0|2,0,1]=4 475 B12R1.288 CNCc1ccc(c(c1)Cl)OC 7a_106832991635_100000693707 [1,0,0,0,0,0|2,0,1]=4 476 B12R1.288 CNCc1ccc(c(c1)F)OC 207a_100102657272_100000204617 [1,0,0,0,0,0|2,0,1]=4 477 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_100000737316_200000210301 [1,0,0,0,0,0|2,0,1]=4 478 B12R1.288 CNCc1ccc(c(c1)F)OC 2230a_106832991635_100000189595 [1,0,0,0,0,0|2,0,1]=4 479 B12R1.288 CNCc1ccc(c(c1)F)OC 270004a_106832991635_100000204617 [1,0,0,0,0,0|2,0,1]=4 480 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100000737316_200000210301 [1,0,0,0,0,0|2,0,1]=4 481 B12R1.288 CNCc1ccc(c(c1)F)OC 34a_100102657272_100000189595 [1,0,0,0,0,0|2,0,1]=4 482 B12R1.288 CNCc1ccc(c(c1)F)OC 7a_106832991635_100000189595 [1,0,0,0,0,0|2,0,1]=4 483 B12R1.288 CNCc1ccc(c(c1)I)OC 207a_100102657272_100009827998 [1,0,0,0,0,0|2,0,1]=4 484 B12R1.288 CNCc1ccc(c(c1)I)OC 270004a_106832991635_100009827998 [1,0,0,0,0,0|2,0,1]=4 485 B12R1.288 CNCc1ccc(c(c1)O)OC 34a_100000740000_200000210301 [1,0,0,0,0,0|1,0,1]=3 486 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100000246451_200000210301 [1,0,0,0,0,0|2,0,1]=4 487 B12R1.288 COCc1ccc(c(c1)Br)OC 34a_100138415774_200011397701 [1,0,0,0,0,0|2,0,1]=4 488 B12R1.288 COCc1ccc(c(c1)Br)OC 7a_100000246451_200000210301 [1,0,0,0,0,0|2,0,1]=4 489 B12R1.288 COCc1ccc(c(c1)C)OC 34a_100138415774_200011290836 [1,0,0,0,0,0|2,0,1]=4 490 B12R1.288 COCc1ccc(c(c1)C)OC 34a_200011290855_200000210301 [1,0,0,0,0,0|2,0,1]=4 491 B12R1.288 COCc1ccc(c(c1)C)OC 7a_200011290855_200000210301 [1,0,0,0,0,0|2,0,1]=4 492 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100000694469_200000210301 [1,0,0,0,0,0|2,0,1]=4 493 B12R1.288 COCc1ccc(c(c1)Cl)OC 34a_100138415774_100000693707 [1,0,0,0,0,0|2,0,1]=4 494 B12R1.288 COCc1ccc(c(c1)Cl)OC 7a_100000694469_200000210301 [1,0,0,0,0,0|2,0,1]=4 495 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100000246395_200000210301 [1,0,0,0,0,0|2,0,1]=4 496 B12R1.288 COCc1ccc(c(c1)F)OC 34a_100138415774_100000189595 [1,0,0,0,0,0|2,0,1]=4 497 B12R1.288 COCc1ccc(c(c1)F)OC 7a_100000246395_200000210301 [1,0,0,0,0,0|2,0,1]=4 498 B12R1.288 COCc1ccc(c(c1)I)OC 34a_200000013966_200000210301 [1,0,0,0,0,0|2,0,1]=4 499 B12R1.288 COCc1ccc(c(c1)I)OC 7a_200000013966_200000210301 [1,0,0,0,0,0|2,0,1]=4 500 B12R1.288 COCc1ccc(c(c1)N)OC 34a_100011269841_200000210301 [1,0,0,0,0,0|2,0,1]=4 501 B12R1.288 COc1ccc(cc1Br)CN[13CH3] 34a_100159240714_200025704644 [1,0,0,0,0,0|2,0,1]=4 502 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 34a_100000246451_200025704644 [1,0,0,0,0,0|2,0,1]=4 503 B12R1.288 COc1ccc(cc1Br)CO[13CH3] 7a_100000246451_200025704644 [1,0,0,0,0,0|2,0,1]=4 504 B12R1.288 COc1ccc(cc1Br)CSC 62a_200000210301_200011397701 [1,0,0,0,0,0|2,0,1]=4 505 B12R1.288 COc1ccc(cc1Br)CSC 62a_200011397701_200000210301 [1,0,0,0,0,0|2,0,1]=4 506 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200011397701_200025704644 [1,0,0,0,0,0|2,0,1]=4 507 B12R1.288 COc1ccc(cc1Br)CS[13CH3] 62a_200025704644_200011397701 [1,0,0,0,0,0|2,0,1]=4 508 B12R1.288 COc1ccc(cc1C)CN[13CH3] 2230a_100102679029_200025704644 [1,0,0,0,0,0|2,0,1]=4 509 B12R1.288 COc1ccc(cc1C)CN[13CH3] 34a_100102679029_200025704644 [1,0,0,0,0,0|2,0,1]=4 510 B12R1.288 COc1ccc(cc1C)CO[13CH3] 34a_200011290855_200025704644 [1,0,0,0,0,0|2,0,1]=4 511 B12R1.288 COc1ccc(cc1C)CO[13CH3] 7a_200011290855_200025704644 [1,0,0,0,0,0|2,0,1]=4 512 B12R1.288 COc1ccc(cc1C)CSC 62a_200000210301_200011290836 [1,0,0,0,0,0|2,0,1]=4 513 B12R1.288 COc1ccc(cc1C)CSC 62a_200011290836_200000210301 [1,0,0,0,0,0|2,0,1]=4 514 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200011290836_200025704644 [1,0,0,0,0,0|2,0,1]=4 515 B12R1.288 COc1ccc(cc1C)CS[13CH3] 62a_200025704644_200011290836 [1,0,0,0,0,0|2,0,1]=4 516 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 2230a_100000008799_200025704644 [1,0,0,0,0,0|2,0,1]=4 517 B12R1.288 COc1ccc(cc1Cl)CN[13CH3] 34a_100000008799_200025704644 [1,0,0,0,0,0|2,0,1]=4 518 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 34a_100000694469_200025704644 [1,0,0,0,0,0|2,0,1]=4 519 B12R1.288 COc1ccc(cc1Cl)CO[13CH3] 7a_100000694469_200025704644 [1,0,0,0,0,0|2,0,1]=4 520 B12R1.288 COc1ccc(cc1Cl)CSC 62a_100000693707_200000210301 [1,0,0,0,0,0|2,0,1]=4 521 B12R1.288 COc1ccc(cc1Cl)CSC 62a_200000210301_100000693707 [1,0,0,0,0,0|2,0,1]=4 522 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_100000693707_200025704644 [1,0,0,0,0,0|2,0,1]=4 523 B12R1.288 COc1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100000693707 [1,0,0,0,0,0|2,0,1]=4 524 B12R1.288 COc1ccc(cc1F)CN[13CH3] 2230a_100000737316_200025704644 [1,0,0,0,0,0|2,0,1]=4 525 B12R1.288 COc1ccc(cc1F)CN[13CH3] 34a_100000737316_200025704644 [1,0,0,0,0,0|2,0,1]=4 526 B12R1.288 COc1ccc(cc1F)CO[13CH3] 34a_100000246395_200025704644 [1,0,0,0,0,0|2,0,1]=4 527 B12R1.288 COc1ccc(cc1F)CO[13CH3] 7a_100000246395_200025704644 [1,0,0,0,0,0|2,0,1]=4 528 B12R1.288 COc1ccc(cc1F)CSC 62a_100000189595_200000210301 [1,0,0,0,0,0|2,0,1]=4 529 B12R1.288 COc1ccc(cc1F)CSC 62a_200000210301_100000189595 [1,0,0,0,0,0|2,0,1]=4 530 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_100000189595_200025704644 [1,0,0,0,0,0|2,0,1]=4 531 B12R1.288 COc1ccc(cc1F)CS[13CH3] 62a_200025704644_100000189595 [1,0,0,0,0,0|2,0,1]=4 532 B12R1.288 COc1ccc(cc1I)CO[13CH3] 34a_200000013966_200025704644 [1,0,0,0,0,0|2,0,1]=4 533 B12R1.288 COc1ccc(cc1I)CO[13CH3] 7a_200000013966_200025704644 [1,0,0,0,0,0|2,0,1]=4 534 B12R1.288 COc1ccc(cc1N)CO[13CH3] 34a_100011269841_200025704644 [1,0,0,0,0,0|2,0,1]=4 535 B12R1.288 COc1ccc(cc1O)CC#N 271570a_203496583355_100011215974 [1,0,0,0,0,0|1,0,2]=4 536 B12R1.288 COc1ccc(cc1O)CCN 271570a_203496583355_103549771065 [1,0,0,0,0,0|1,0,2]=4 537 B12R1.288 COc1ccc(cc1O)CCO 271570a_203496583355_100011962876 [1,0,0,0,0,0|1,0,2]=4 538 B12R1.288 COc1ccc(cc1O)CN[13CH3] 34a_100000740000_200025704644 [1,0,0,0,0,0|1,0,1]=3 539 B12R1.288 COc1ccc(cc1O)NCF 34a_100000211920_100015361967 [1,0,0,0,0,0|2,0,1]=4 540 B12R1.288 COc1ccc(cc1O)SCF 62a_100015361967_100009816560 [1,0,0,0,0,0|2,0,1]=4 541 B14R1.140 CC(=Cc1ccc(c(c1)F)CCO)C 271570a_100102525489_100011962869 [0,1,0,0,0,0|3,0,0]=4 542 B14R1.140 CC(=O)Cc1ccc(c(c1)Br)OCF 34a_100010141077_100015361967 [0,1,0,0,0,0|2,0,1]=4 543 B14R1.140 CC(=O)Cc1ccc(c(c1)Br)OCF 7a_100010141077_100015361967 [0,1,0,0,0,0|2,0,1]=4 544 B14R1.140 CC(=O)Cc1ccc(c(c1)C)OCF 34a_200000080089_100015361967 [0,1,0,0,0,0|2,0,1]=4 545 B14R1.140 CC(=O)Cc1ccc(c(c1)C)OCF 7a_200000080089_100015361967 [0,1,0,0,0,0|2,0,1]=4 546 B14R1.140 CC(=O)Cc1ccc(c(c1)Cl)OCF 34a_200000080078_100015361967 [0,1,0,0,0,0|2,0,1]=4 547 B14R1.140 CC(=O)Cc1ccc(c(c1)Cl)OCF 7a_200000080078_100015361967 [0,1,0,0,0,0|2,0,1]=4 548 B14R1.140 CC(=O)Nc1ccc(c(c1)C)OCF 34a_100012186693_100015361967 [0,1,0,0,0,0|3,0,0]=4 549 B14R1.140 CC(=O)Nc1ccc(c(c1)C)OCF 7a_100012186693_100015361967 [0,1,0,0,0,0|3,0,0]=4 550 B14R1.140 CC(=O)Nc1ccc(c(c1)Cl)OCF 34a_100011215158_100015361967 [0,1,0,0,0,0|3,0,0]=4 551 B14R1.140 CC(=O)Nc1ccc(c(c1)Cl)OCF 7a_100011215158_100015361967 [0,1,0,0,0,0|3,0,0]=4 552 B14R1.140 CCOc1ccc(cc1Br)CC(=O)C 34a_100010141077_100000210202 [0,1,0,0,0,0|1,0,1]=3 553 B14R1.140 CCOc1ccc(cc1Br)CC(=O)C 7a_100010141077_100000210202 [0,1,0,0,0,0|1,0,1]=3 554 B14R1.140 CCOc1ccc(cc1Br)CN(C)C 270004a_100102631434_100000173028 [0,1,0,0,0,0|2,0,1]=4 555 B14R1.140 CCOc1ccc(cc1C)C=C(C)C 271570a_100102525489_100011308936 [0,1,0,0,0,0|1,0,0]=2 556 B14R1.140 CCOc1ccc(cc1C)CC(=O)C 34a_200000080089_100000210202 [0,1,0,0,0,0|1,0,1]=3 557 B14R1.140 CCOc1ccc(cc1C)CC(=O)C 7a_200000080089_100000210202 [0,1,0,0,0,0|1,0,1]=3 558 B14R1.140 CCOc1ccc(cc1C)CN(C)C 270004a_100102631434_100012017204 [0,1,0,0,0,0|2,0,1]=4 559 B14R1.140 CCOc1ccc(cc1C)NC(=O)C 34a_100012186693_100000210202 [0,1,0,0,0,0|2,0,0]=3 560 B14R1.140 CCOc1ccc(cc1C)NC(=O)C 7a_100012186693_100000210202 [0,1,0,0,0,0|2,0,0]=3 561 B14R1.140 CCOc1ccc(cc1C)SC(C)C 62a_100000210206_100011308936 [0,1,0,0,0,0|2,0,1]=4 562 B14R1.140 CCOc1ccc(cc1C)SC(C)C 62a_100011308936_100000210206 [0,1,0,0,0,0|2,0,1]=4 563 B14R1.140 CCOc1ccc(cc1Cl)CC(=O)C 34a_200000080078_100000210202 [0,1,0,0,0,0|1,0,1]=3 564 B14R1.140 CCOc1ccc(cc1Cl)CC(=O)C 7a_200000080078_100000210202 [0,1,0,0,0,0|1,0,1]=3 565 B14R1.140 CCOc1ccc(cc1Cl)CN(C)C 270004a_100102631434_200000188301 [0,1,0,0,0,0|2,0,1]=4 566 B14R1.140 CCOc1ccc(cc1Cl)NC(=O)C 11a_100000741444_100015343762 [0,1,0,0,0,0|2,0,0]=3 567 B14R1.140 CCOc1ccc(cc1Cl)NC(=O)C 1626a_100000741444_100015343762 [0,1,0,0,0,0|2,0,0]=3 568 B14R1.140 CCOc1ccc(cc1Cl)NC(=O)C 22a_100000741444_100000070787 [0,1,0,0,0,0|2,0,0]=3 569 B14R1.140 CCOc1ccc(cc1Cl)NC(=O)C 34a_100011215158_100000210202 [0,1,0,0,0,0|2,0,0]=3 570 B14R1.140 CCOc1ccc(cc1Cl)NC(=O)C 527a_100000741444_100103153847 [0,1,0,0,0,0|2,0,0]=3 571 B14R1.140 CCOc1ccc(cc1Cl)NC(=O)C 7a_100011215158_100000210202 [0,1,0,0,0,0|2,0,0]=3 572 B14R1.140 CCOc1ccc(cc1Cl)NC(C)C 2230a_100000741444_100000210206 [0,1,0,0,0,0|2,0,1]=4 573 B14R1.140 CCOc1ccc(cc1Cl)NC(C)C 34a_100000741444_100000210206 [0,1,0,0,0,0|2,0,1]=4 574 B14R1.140 CCOc1ccc(cc1Cl)NC(C)C 7a_100000741444_100000210206 [0,1,0,0,0,0|2,0,1]=4 575 B14R1.140 CCOc1ccc(cc1F)C=C(C)C 271570a_100102525489_200000171753 [0,1,0,0,0,0|1,0,0]=2 576 B14R1.140 CCOc1ccc(cc1F)OC(C)C 34a_100012771078_100000210206 [0,1,0,0,0,0|2,0,1]=4 577 B14R1.140 CCOc1ccc(cc1F)OC(C)C 7a_100012771078_100000210206 [0,1,0,0,0,0|2,0,1]=4 578 B14R1.140 CCOc1ccc(cc1F)SC(C)C 62a_100000210206_200000171753 [0,1,0,0,0,0|2,0,1]=4 579 B14R1.140 CCOc1ccc(cc1F)SC(C)C 62a_200000171753_100000210206 [0,1,0,0,0,0|2,0,1]=4 580 B14R1.140 CCOc1ccc(cc1I)CN(C)C 270004a_100102631434_200000123116 [0,1,0,0,0,0|2,0,1]=4 581 B14R1.140 CCOc1ccc(cc1N)C=C(C)C 271570a_100102525489_100000751366 [0,1,0,0,0,0|1,0,0]=2 582 B14R1.140 CCOc1ccc(cc1N)SC(C)C 62a_100000751366_100000210206 [0,1,0,0,0,0|2,0,1]=4 583 B14R1.140 CCOc1ncc(cc1C)C=C(C)C 271570a_100102525489_100012351028 [0,1,0,0,0,0|2,0,0]=3 584 B14R1.140 CCOc1ncc(cc1N)C=C(C)C 271570a_100102525489_100011433076 [0,1,0,0,0,0|2,0,0]=3 585 B14R1.140 CCSc1ccc(cc1C)NC(=O)C 62a_100000210202_100000155607 [0,1,0,0,0,0|2,1,0]=4 586 B14R1.140 CCSc1ccc(cc1F)NC(=O)C 62a_100000210202_100011219590 [0,1,0,0,0,0|2,1,0]=4 587 B14R1.140 COCc1ccc(cc1N)C=C(C)C 271570a_100102525489_100013084866 [0,1,0,0,0,0|3,0,0]=4 588 B14R1.487 CC=Cc1ccc(c(c1)Br)C(=O)OC 271570a_100016259895_100010247156 [0,1,0,0,0,0|3,0,0]=4 589 B14R1.487 CC=Cc1ccc(c(c1)C)C(=O)CC 271570a_100016259895_200012361375 [0,1,0,0,0,0|2,0,0]=3 590 B14R1.487 CC=Cc1ccc(c(c1)C)C(=O)OC 271570a_100016259895_100000747612 [0,1,0,0,0,0|3,0,0]=4 591 B14R1.487 CC=Cc1ccc(c(c1)C)[C@H](N)CO 271570a_100016259895_100138412551 [0,1,0,0,0,0|3,0,0]=4 592 B14R1.487 CC=Cc1ccc(c(c1)Cl)C(=O)OC 271570a_100016259895_100000060724 [0,1,0,0,0,0|3,0,0]=4 593 B14R1.487 CC=Cc1ccc(c(c1)F)C(=O)CC 271570a_100016259895_100012360378 [0,1,0,0,0,0|2,0,0]=3 594 B14R1.487 CC=Cc1ccc(c(c1)F)C(=O)NC 271570a_100016259895_100000233932 [0,1,0,0,0,0|3,0,0]=4 595 B14R1.487 CC=Cc1ccc(c(c1)F)C(=O)OC 271570a_100016259895_100000216654 [0,1,0,0,0,0|3,0,0]=4 596 B14R1.487 CC=Cc1ccc(c(c1)N)C(=O)OC 271570a_100016259895_100011373473 [0,1,0,0,0,0|3,0,0]=4 597 B14R1.487 CC=Cc1ccc(c(c1)O)C(=O)OC 271570a_100016259895_100000062286 [0,1,0,0,0,0|2,0,0]=3 598 B14R1.487 CC=Cc1ccc(c(n1)O)C(=O)OC 271570a_100016259895_100015962272 [0,1,0,0,0,0|3,0,0]=4 599 B14R1.487 CC=Cc1cnc(c(c1)O)C(=O)OC 271570a_100016259895_100010071521 [0,1,0,0,0,0|3,0,0]=4 600 B14R1.487 CCOc1ccc(c(c1)O)C(=O)CC 1458a_200000049073_100000210202 [0,1,0,0,0,0|2,0,1]=4 601 B14R1.490 C=C=Cc1ccc(c(c1)C)OC(C)C 271570a_100015277604_200011825982 [0,1,0,0,0,0|1,0,2]=4 602 B14R1.490 C=C=Cc1ccc(c(c1)F)OC(C)C 271570a_100015277604_100009811877 [0,1,0,0,0,0|1,0,2]=4 603 B14R1.490 C=C=Cc1ccc(c(c1)N)OC(C)C 271570a_100015277604_100000690130 [0,1,0,0,0,0|1,0,2]=4 604 B14R1.490 CC(C)Oc1ccc(cc1F)CN[13CH3] 2230a_106430523230_200025704644 [0,1,0,0,0,0|2,0,1]=4 605 B14R1.490 CC(C)Oc1ccc(cc1F)CN[13CH3] 34a_106430523230_200025704644 [0,1,0,0,0,0|2,0,1]=4 606 B14R1.490 CC=Cc1ccc(c(c1)C)NC(=O)C 271570a_100016259895_100000152120 [0,1,0,0,0,0|2,0,1]=4 607 B14R1.490 CC=Cc1ccc(c(c1)C)OC(C)C 271570a_100016259895_200011825982 [0,1,0,0,0,0|1,0,0]=2 608 B14R1.490 CC=Cc1ccc(c(c1)C)OC(F)F 271570a_100016259895_100011825985 [0,1,0,0,0,0|2,0,0]=3 609 B14R1.490 CC=Cc1ccc(c(c1)Cl)NC(=O)C 271570a_100016259895_100011273303 [0,1,0,0,0,0|2,0,1]=4 610 B14R1.490 CC=Cc1ccc(c(c1)F)CN(C)C 271570a_100016259895_100000174744 [0,1,0,0,0,0|3,0,0]=4 611 B14R1.490 CC=Cc1ccc(c(c1)F)NC(=O)C 271570a_100016259895_100000155584 [0,1,0,0,0,0|2,0,1]=4 612 B14R1.490 CC=Cc1ccc(c(c1)F)OC(=O)C 271570a_100016259895_100009811628 [0,1,0,0,0,0|1,0,1]=3 613 B14R1.490 CC=Cc1ccc(c(c1)F)OC(C)C 271570a_100016259895_100009811877 [0,1,0,0,0,0|1,0,0]=2 614 B14R1.490 CC=Cc1ccc(c(c1)F)OC(F)F 271570a_100016259895_100000728548 [0,1,0,0,0,0|2,0,0]=3 615 B14R1.490 CC=Cc1ccc(c(c1)N)NC(=O)C 271570a_100016259895_100000749274 [0,1,0,0,0,0|2,0,1]=4 616 B14R1.490 CC=Cc1ccc(c(c1)N)OC(C)C 271570a_100016259895_100000690130 [0,1,0,0,0,0|1,0,0]=2 617 B14R1.490 CC=Cc1ccc(c(c1)N)OC(F)F 271570a_100016259895_100000759289 [0,1,0,0,0,0|2,0,0]=3 618 B14R1.490 CCNc1ccc(c(c1)Br)OC(C)C 2230a_200000706018_100000210202 [0,1,0,0,0,0|2,0,1]=4 619 B14R1.490 CCNc1ccc(c(c1)Br)OC(C)C 34a_200000706018_100000210202 [0,1,0,0,0,0|2,0,1]=4 620 B14R1.490 CCNc1ccc(c(c1)Br)OC(C)C 7a_200000706018_100000210202 [0,1,0,0,0,0|2,0,1]=4 621 B14R1.490 CCNc1ccc(c(c1)Cl)OC(C)C 2230a_100000737677_100000210202 [0,1,0,0,0,0|2,0,1]=4 622 B14R1.490 CCNc1ccc(c(c1)Cl)OC(C)C 34a_100000737677_100000210202 [0,1,0,0,0,0|2,0,1]=4 623 B14R1.490 CCNc1ccc(c(c1)Cl)OC(C)C 7a_100000737677_100000210202 [0,1,0,0,0,0|2,0,1]=4 624 B14R1.490 CCSc1ccc(c(c1)C)OC(C)C 62a_100000210202_200011825982 [0,1,0,0,0,0|2,0,1]=4 625 B14R1.490 CCSc1ccc(c(c1)C)OC(C)C 62a_200011825982_100000210202 [0,1,0,0,0,0|2,0,1]=4 626 B14R1.490 CCSc1ccc(c(c1)F)OC(C)C 62a_100000210202_100009811877 [0,1,0,0,0,0|2,0,1]=4 627 B14R1.490 CCSc1ccc(c(c1)F)OC(C)C 62a_100009811877_100000210202 [0,1,0,0,0,0|2,0,1]=4 628 B14R1.490 CCSc1ccc(c(c1)N)OC(C)C 62a_100000210202_100000690130 [0,1,0,0,0,0|2,0,1]=4 629 B14R1.490 CCSc1ccc(c(c1)N)OC(C)C 62a_100000690130_100000210202 [0,1,0,0,0,0|2,0,1]=4 630 B14R1.490 CNCc1ccc(c(c1)Br)OC(C)C 207a_100102657272_200000173091 [0,1,0,0,0,0|2,0,1]=4 631 B14R1.490 CNCc1ccc(c(c1)Br)OC(C)C 270004a_106832991635_200000173091 [0,1,0,0,0,0|2,0,1]=4 632 B14R1.490 CNCc1ccc(c(c1)F)OC(C)C 2230a_106430523230_200000210301 [0,1,0,0,0,0|2,0,1]=4 633 B14R1.490 CNCc1ccc(c(c1)F)OC(C)C 34a_106430523230_200000210301 [0,1,0,0,0,0|2,0,1]=4 634 B14R1.795 C=CCNc1ccc(c(c1)Cl)OCC 2230a_100000741444_100000210623 [0,1,0,0,0,0|1,0,2]=4 635 B14R1.795 C=CCNc1ccc(c(c1)Cl)OCC 34a_100000741444_100015514636 [0,1,0,0,0,0|1,0,2]=4 636 B14R1.795 C=CCNc1ccc(c(c1)Cl)OCC 7a_100000741444_100015514636 [0,1,0,0,0,0|1,0,2]=4 637 B14R1.795 C=CCOc1ccc(c(c1)F)OCC 34a_100012771078_100015514636 [0,1,0,0,0,0|1,0,2]=4 638 B14R1.795 C=CCOc1ccc(c(c1)F)OCC 7a_100012771078_100015514636 [0,1,0,0,0,0|1,0,2]=4 639 B14R1.795 C=CCSc1ccc(c(c1)C)OCC 62a_100000210623_100011308936 [0,1,0,0,0,0|1,0,2]=4 640 B14R1.795 C=CCSc1ccc(c(c1)C)OCC 62a_100011308936_100000210623 [0,1,0,0,0,0|1,0,2]=4 641 B14R1.795 C=CCSc1ccc(c(c1)F)OCC 62a_100000210623_200000171753 [0,1,0,0,0,0|1,0,2]=4 642 B14R1.795 C=CCSc1ccc(c(c1)F)OCC 62a_200000171753_100000210623 [0,1,0,0,0,0|1,0,2]=4 643 B14R1.795 C=CCSc1ccc(c(c1)N)OCC 62a_100000751366_100000210623 [0,1,0,0,0,0|1,0,2]=4 644 B14R1.795 CCCCc1ccc(c(c1)C)OCC 271570a_100020621405_100011308936 [0,1,0,0,0,0|1,0,2]=4 645 B14R1.795 CCCCc1ccc(c(c1)F)OCC 271570a_100020621405_200000171753 [0,1,0,0,0,0|1,0,2]=4 646 B14R1.795 CCCCc1ccc(c(c1)N)OCC 271570a_100020621405_100000751366 [0,1,0,0,0,0|1,0,2]=4 647 B14R1.795 CCCNc1ccc(c(c1)Cl)OCC 2230a_100000741444_100000210303 [0,1,0,0,0,0|1,0,2]=4 648 B14R1.795 CCCNc1ccc(c(c1)Cl)OCC 34a_100000741444_100000210303 [0,1,0,0,0,0|1,0,2]=4 649 B14R1.795 CCCNc1ccc(c(c1)Cl)OCC 7a_100000741444_100000210303 [0,1,0,0,0,0|1,0,2]=4 650 B14R1.795 CCCOc1ccc(c(c1)F)OCC 34a_100012771078_100000210303 [0,1,0,0,0,0|1,0,2]=4 651 B14R1.795 CCCOc1ccc(c(c1)F)OCC 7a_100012771078_100000210303 [0,1,0,0,0,0|1,0,2]=4 652 B14R1.795 CCCSc1ccc(c(c1)C)OCC 62a_100000210303_100011308936 [0,1,0,0,0,0|1,0,2]=4 653 B14R1.795 CCCSc1ccc(c(c1)C)OCC 62a_100011308936_100000210303 [0,1,0,0,0,0|1,0,2]=4 654 B14R1.795 CCCSc1ccc(c(c1)F)OCC 62a_100000210303_200000171753 [0,1,0,0,0,0|1,0,2]=4 655 B14R1.795 CCCSc1ccc(c(c1)F)OCC 62a_200000171753_100000210303 [0,1,0,0,0,0|1,0,2]=4 656 B14R1.795 CCCSc1ccc(c(c1)N)OCC 62a_100000751366_100000210303 [0,1,0,0,0,0|1,0,2]=4 657 B14R1.795 CCNCc1ccc(c(c1)Br)OCC 207a_100015525214_100000173028 [0,1,0,0,0,0|1,0,2]=4 658 B14R1.795 CCNCc1ccc(c(c1)Br)OCC 270004a_100015525214_100000173028 [0,1,0,0,0,0|1,0,2]=4 659 B14R1.795 CCNCc1ccc(c(c1)C)OCC 207a_100015525214_100012017204 [0,1,0,0,0,0|1,0,2]=4 660 B14R1.795 CCNCc1ccc(c(c1)C)OCC 270004a_100015525214_100012017204 [0,1,0,0,0,0|1,0,2]=4 661 B14R1.795 CCNCc1ccc(c(c1)Cl)OCC 207a_100015525214_200000188301 [0,1,0,0,0,0|1,0,2]=4 662 B14R1.795 CCNCc1ccc(c(c1)Cl)OCC 270004a_100015525214_200000188301 [0,1,0,0,0,0|1,0,2]=4 663 B14R1.795 CCNCc1ccc(c(c1)I)OCC 207a_100015525214_200000123116 [0,1,0,0,0,0|1,0,2]=4 664 B14R1.795 CCNCc1ccc(c(c1)I)OCC 269862a_100015525214_200000123116 [0,1,0,0,0,0|1,0,2]=4 665 B14R1.795 CCNCc1ccc(c(c1)I)OCC 270004a_100015525214_200000123116 [0,1,0,0,0,0|1,0,2]=4 666 B14R1.795 CCOCc1ccc(c(c1)Br)OCC 34a_200011800839_100000210202 [0,1,0,0,0,0|1,0,2]=4 667 B14R1.795 CCOCc1ccc(c(c1)Br)OCC 7a_200011800839_100000210202 [0,1,0,0,0,0|1,0,2]=4 668 B14R1.795 CCOCc1ccc(c(c1)Cl)OCC 34a_200011523292_100000210202 [0,1,0,0,0,0|1,0,2]=4 669 B14R1.795 CCOCc1ccc(c(c1)Cl)OCC 7a_200011523292_100000210202 [0,1,0,0,0,0|1,0,2]=4 670 B14R1.795 CCOc1ccc(cc1Br)COCF 34a_200011800839_100015361967 [0,1,0,0,0,0|2,0,1]=4 671 B14R1.795 CCOc1ccc(cc1Br)COCF 7a_200011800839_100015361967 [0,1,0,0,0,0|2,0,1]=4 672 B14R1.795 CCOc1ccc(cc1C)SCC=O 62a_100011308936_200015260668 [0,1,0,0,0,0|2,0,1]=4 673 B14R1.795 CCOc1ccc(cc1C)SCC=O 62a_200015260668_100011308936 [0,1,0,0,0,0|2,0,1]=4 674 B14R1.795 CCOc1ccc(cc1C)SCCF 62a_100011217306_100011308936 [0,1,0,0,0,0|2,0,1]=4 675 B14R1.795 CCOc1ccc(cc1C)SCCF 62a_100011308936_100011217306 [0,1,0,0,0,0|2,0,1]=4 676 B14R1.795 CCOc1ccc(cc1C)SCCO 62a_100000211926_100011308936 [0,1,0,0,0,0|2,0,1]=4 677 B14R1.795 CCOc1ccc(cc1C)SCCO 62a_100011308936_100000211926 [0,1,0,0,0,0|2,0,1]=4 678 B14R1.795 CCOc1ccc(cc1C)SCOC 62a_100000766300_100011308936 [0,1,0,0,0,0|2,0,1]=4 679 B14R1.795 CCOc1ccc(cc1C)SCOC 62a_100011308936_100000766300 [0,1,0,0,0,0|2,0,1]=4 680 B14R1.795 CCOc1ccc(cc1C)SCSC 62a_100011218213_100011308936 [0,1,0,0,0,0|2,0,1]=4 681 B14R1.795 CCOc1ccc(cc1C)SCSC 62a_100011308936_100011218213 [0,1,0,0,0,0|2,0,1]=4 682 B14R1.795 CCOc1ccc(cc1Cl)COCF 34a_200011523292_100015361967 [0,1,0,0,0,0|2,0,1]=4 683 B14R1.795 CCOc1ccc(cc1Cl)COCF 7a_200011523292_100015361967 [0,1,0,0,0,0|2,0,1]=4 684 B14R1.795 CCOc1ccc(cc1Cl)NCC=O 2230a_100000741444_200015260668 [0,1,0,0,0,0|2,0,1]=4 685 B14R1.795 CCOc1ccc(cc1Cl)NCC=O 34a_100000741444_200009817547 [0,1,0,0,0,0|2,0,1]=4 686 B14R1.795 CCOc1ccc(cc1Cl)NCC=O 7a_100000741444_200015260668 [0,1,0,0,0,0|2,0,1]=4 687 B14R1.795 CCOc1ccc(cc1Cl)NCCF 2230a_100000741444_100011217306 [0,1,0,0,0,0|2,0,1]=4 688 B14R1.795 CCOc1ccc(cc1Cl)NCCF 34a_100000741444_100011217306 [0,1,0,0,0,0|2,0,1]=4 689 B14R1.795 CCOc1ccc(cc1Cl)NCCF 7a_100000741444_100011217306 [0,1,0,0,0,0|2,0,1]=4 690 B14R1.795 CCOc1ccc(cc1Cl)NCCO 2230a_100000741444_100000211926 [0,1,0,0,0,0|2,0,1]=4 691 B14R1.795 CCOc1ccc(cc1Cl)NCCO 34a_100000741444_100000211926 [0,1,0,0,0,0|2,0,1]=4 692 B14R1.795 CCOc1ccc(cc1Cl)NCCO 7a_100000741444_100000211926 [0,1,0,0,0,0|2,0,1]=4 693 B14R1.795 CCOc1ccc(cc1Cl)NCOC 2230a_100000741444_100000766300 [0,1,0,0,0,0|2,0,1]=4 694 B14R1.795 CCOc1ccc(cc1Cl)NCSC 2230a_100000741444_100011218213 [0,1,0,0,0,0|2,0,1]=4 695 B14R1.795 CCOc1ccc(cc1Cl)NCSC 34a_100000741444_100011218213 [0,1,0,0,0,0|2,0,1]=4 696 B14R1.795 CCOc1ccc(cc1F)OCC=O 34a_100012771078_200009817547 [0,1,0,0,0,0|2,0,1]=4 697 B14R1.795 CCOc1ccc(cc1F)OCC=O 7a_100012771078_200015260668 [0,1,0,0,0,0|2,0,1]=4 698 B14R1.795 CCOc1ccc(cc1F)OCCF 34a_100012771078_100011217306 [0,1,0,0,0,0|2,0,1]=4 699 B14R1.795 CCOc1ccc(cc1F)OCCF 7a_100012771078_100011217306 [0,1,0,0,0,0|2,0,1]=4 700 B14R1.795 CCOc1ccc(cc1F)OCCO 34a_100012771078_100000211926 [0,1,0,0,0,0|2,0,1]=4 701 B14R1.795 CCOc1ccc(cc1F)OCCO 7a_100012771078_100000211926 [0,1,0,0,0,0|2,0,1]=4 702 B14R1.795 CCOc1ccc(cc1F)OCSC 34a_100012771078_100011218213 [0,1,0,0,0,0|2,0,1]=4 703 B14R1.795 CCOc1ccc(cc1F)SCC=O 62a_200000171753_200015260668 [0,1,0,0,0,0|2,0,1]=4 704 B14R1.795 CCOc1ccc(cc1F)SCC=O 62a_200015260668_200000171753 [0,1,0,0,0,0|2,0,1]=4 705 B14R1.795 CCOc1ccc(cc1F)SCCF 62a_100011217306_200000171753 [0,1,0,0,0,0|2,0,1]=4 706 B14R1.795 CCOc1ccc(cc1F)SCCF 62a_200000171753_100011217306 [0,1,0,0,0,0|2,0,1]=4 707 B14R1.795 CCOc1ccc(cc1F)SCCO 62a_100000211926_200000171753 [0,1,0,0,0,0|2,0,1]=4 708 B14R1.795 CCOc1ccc(cc1F)SCCO 62a_200000171753_100000211926 [0,1,0,0,0,0|2,0,1]=4 709 B14R1.795 CCOc1ccc(cc1F)SCOC 62a_100000766300_200000171753 [0,1,0,0,0,0|2,0,1]=4 710 B14R1.795 CCOc1ccc(cc1F)SCOC 62a_200000171753_100000766300 [0,1,0,0,0,0|2,0,1]=4 711 B14R1.795 CCOc1ccc(cc1F)SCSC 62a_100011218213_200000171753 [0,1,0,0,0,0|2,0,1]=4 712 B14R1.795 CCOc1ccc(cc1F)SCSC 62a_200000171753_100011218213 [0,1,0,0,0,0|2,0,1]=4 713 B14R1.795 CCOc1ccc(cc1N)SCC=O 62a_100000751366_200015260668 [0,1,0,0,0,0|2,0,1]=4 714 B14R1.795 CCOc1ccc(cc1N)SCCF 62a_100000751366_100011217306 [0,1,0,0,0,0|2,0,1]=4 715 B14R1.795 CCOc1ccc(cc1N)SCCO 62a_100000751366_100000211926 [0,1,0,0,0,0|2,0,1]=4 716 B14R1.795 CCOc1ccc(cc1N)SCOC 62a_100000751366_100000766300 [0,1,0,0,0,0|2,0,1]=4 717 B14R1.795 CCOc1ccc(cc1N)SCSC 62a_100000751366_100011218213 [0,1,0,0,0,0|2,0,1]=4 718 B14R1.1356 C=C=Cc1ccc(c(c1)F)OCOC 271570a_100015277604_100009812708 [0,1,0,0,0,0|1,0,2]=4 719 B14R1.1356 CC=Cc1ccc(c(c1)F)OCOC 271570a_100016259895_100009812708 [0,1,0,0,0,0|1,0,0]=2 720 B14R1.1356 CC=Cc1ccn(c(=O)c1)CCOC 271570a_100016259895_200015743058 [0,1,0,0,0,0|2,0,1]=4 721 B14R1.1356 CC=Cc1cnc(c(c1)C)OCCC 271570a_100016259895_200012348856 [0,1,0,0,0,0|2,0,0]=3 722 B14R1.1356 CCCOc1ccc(cc1Br)CNC 207a_100102657272_100000173362 [0,1,0,0,0,0|2,0,1]=4 723 B14R1.1356 CCCOc1ccc(cc1Br)CNC 270004a_106832991635_100000173362 [0,1,0,0,0,0|2,0,1]=4 724 B14R1.1356 CCCOc1ccc(cc1Cl)CNC 207a_100102657272_200011202936 [0,1,0,0,0,0|2,0,1]=4 725 B14R1.1356 CCCOc1ccc(cc1Cl)CNC 270004a_106832991635_200011202936 [0,1,0,0,0,0|2,0,1]=4 726 B14R1.1356 CCCOc1ccc(cc1Cl)NCC 34a_100000742593_100000210202 [0,1,0,0,0,0|2,0,1]=4 727 B14R1.1356 CCCOc1ccc(cc1Cl)NCC 7a_100000742593_100000210202 [0,1,0,0,0,0|2,0,1]=4 728 B14R1.1356 CCOCc1ccc(cc1F)OCC 34a_100121572206_200016184943 [0,1,0,0,0,0|2,0,1]=4 729 B14R1.1356 CCOCc1ccc(cc1F)OCC 34a_200015831911_100000210202 [0,1,0,0,0,0|2,0,1]=4 730 B14R1.1356 CCOCc1ccc(cc1F)OCC 7a_200015831911_100000210202 [0,1,0,0,0,0|2,0,1]=4 731 B14R1.1356 CCSc1ccc(c(c1)F)OCOC 62a_100000210202_100009812708 [0,1,0,0,0,0|2,0,1]=4 732 B14R1.1356 CCSc1ccc(c(c1)F)OCOC 62a_100009812708_100000210202 [0,1,0,0,0,0|2,0,1]=4 733 B14R1.1356 CNCc1ccc(c(c1)Br)OCOC 207a_100102657272_100012265718 [0,1,0,0,0,0|2,0,1]=4 734 B14R1.1356 CNCc1ccc(c(c1)Br)OCOC 270004a_106832991635_100012265718 [0,1,0,0,0,0|2,0,1]=4 735 B14R1.3226 C=C=Cc1cc(c(c(c1)F)OCC)F 271570a_100015277604_200010078527 [0,1,0,0,0,0|1,0,2]=4 736 B14R1.3226 CC=Cc1cc(c(c(c1)F)COC)F 271570a_100016259895_202126162168 [0,1,0,0,0,0|3,0,0]=4 737 B14R1.3226 CC=Cc1cc(c(c(c1)F)OCC)F 271570a_100016259895_200010078527 [0,1,0,0,0,0|1,0,0]=2 738 B14R1.3226 CCNc1cc(c(c(c1)Br)OCC)Cl 34a_200010126271_100000210202 [0,1,0,0,0,0|2,0,1]=4 739 B14R1.3226 CCNc1cc(c(c(c1)Br)OCC)Cl 7a_200010126271_100000210202 [0,1,0,0,0,0|2,0,1]=4 740 B14R1.3226 CCNc1cc(c(c(c1)F)OCC)F 34a_100011396735_100000210202 [0,1,0,0,0,0|2,0,1]=4 741 B14R1.3226 CCNc1cc(c(c(c1)F)OCC)F 7a_100011396735_100000210202 [0,1,0,0,0,0|2,0,1]=4 742 B14R1.3226 CCOc1c(cc(cc1Br)CNC)Br 207a_100102657272_100000184202 [0,1,0,0,0,0|2,0,1]=4 743 B14R1.3226 CCOc1c(cc(cc1Br)CNC)Br 269862a_106832991636_100000184202 [0,1,0,0,0,0|2,0,1]=4 744 B14R1.3226 CCOc1c(cc(cc1Br)CNC)Br 270004a_106832991635_100000184202 [0,1,0,0,0,0|2,0,1]=4 745 B14R1.3226 CCOc1c(cc(cc1C)CNC)C 207a_100102657272_200011198599 [0,1,0,0,0,0|2,0,1]=4 746 B14R1.3226 CCOc1c(cc(cc1C)CNC)C 270004a_106832991635_200011198599 [0,1,0,0,0,0|2,0,1]=4 747 B14R1.3226 CCOc1c(cc(cc1C)COC)C 34a_100000750731_200000210301 [0,1,0,0,0,0|2,0,1]=4 748 B14R1.3226 CCOc1c(cc(cc1C)COC)C 7a_100000750731_200000210301 [0,1,0,0,0,0|2,0,1]=4 749 B14R1.3226 CCOc1c(cc(cc1C)CO[13CH3])C 34a_100000750731_200025704644 [0,1,0,0,0,0|2,0,1]=4 750 B14R1.3226 CCOc1c(cc(cc1C)CO[13CH3])C 7a_100000750731_200025704644 [0,1,0,0,0,0|2,0,1]=4 751 B14R1.3226 CCOc1c(cc(cc1Cl)CNC)F 207a_100102657272_100000061655 [0,1,0,0,0,0|2,0,1]=4 752 B14R1.3226 CCOc1c(cc(cc1Cl)CNC)F 2230a_106832991635_100010209347 [0,1,0,0,0,0|2,0,1]=4 753 B14R1.3226 CCOc1c(cc(cc1Cl)CNC)F 270004a_106832991635_100000061655 [0,1,0,0,0,0|2,0,1]=4 754 B14R1.3226 CCOc1c(cc(cc1Cl)CNC)F 34a_100102657272_100010209347 [0,1,0,0,0,0|2,0,1]=4 755 B14R1.3226 CCOc1c(cc(cc1Cl)CNC)F 7a_106832991635_100010209347 [0,1,0,0,0,0|2,0,1]=4 756 B14R1.3226 CCOc1c(cc(cc1Cl)COC)F 34a_100138415774_100010209347 [0,1,0,0,0,0|2,0,1]=4 757 B14R1.3226 CCOc1c(cc(cc1Cl)CSC)F 62a_100010209347_200000210301 [0,1,0,0,0,0|2,0,1]=4 758 B14R1.3226 CCOc1c(cc(cc1Cl)CSC)F 62a_200000210301_100010209347 [0,1,0,0,0,0|2,0,1]=4 759 B14R1.3226 CCOc1c(cc(cc1Cl)CS[13CH3])F 62a_100010209347_200025704644 [0,1,0,0,0,0|2,0,1]=4 760 B14R1.3226 CCOc1c(cc(cc1Cl)CS[13CH3])F 62a_200025704644_100010209347 [0,1,0,0,0,0|2,0,1]=4 761 B14R1.3226 CCOc1c(cc(cc1F)CNC)F 207a_100102657272_100011830268 [0,1,0,0,0,0|2,0,1]=4 762 B14R1.3226 CCOc1c(cc(cc1F)CNC)F 270004a_106832991635_100011830268 [0,1,0,0,0,0|2,0,1]=4 763 B14R1.3226 CCOc1c(cc(cc1F)SCC)F 62a_100000210202_200010078527 [0,1,0,0,0,0|2,0,1]=4 764 B14R1.3226 CCOc1c(cc(cc1F)SCC)F 62a_200010078527_100000210202 [0,1,0,0,0,0|2,0,1]=4 765 B14R1.3226 CCOc1cc(c(c(c1)F)OCC)F 34a_100000061417_100000210202 [0,1,0,0,0,0|2,0,1]=4 766 B14R1.3226 CCOc1cc(c(c(c1)F)OCC)F 7a_100000061417_100000210202 [0,1,0,0,0,0|2,0,1]=4 767 B14R1.6720 CC=Cc1ccc(cc1O)C(=O)OC 271570a_100016259895_100012350776 [0,1,0,0,0,0|2,0,1]=4 768 B14R1.6720 CCC(=O)c1ccc(c(c1)Cl)OCF 34a_100011218862_100015361967 [0,1,0,0,0,0|2,0,1]=4 769 B14R1.6720 CCC(=O)c1ccc(c(c1)Cl)OCF 7a_100011218862_100015361967 [0,1,0,0,0,0|2,0,1]=4 770 B14R1.6720 CCCc1ccc(cc1Br)C(=O)CC 1458a_200010235943_100000210202 [0,1,0,0,0,0|2,0,1]=4 771 B14R1.6720 CCCc1ccc(cc1Br)C(=O)NC 11a_106832991635_200010235943 [0,1,0,0,0,0|3,0,0]=4 772 B14R1.6720 CCCc1ccc(cc1Br)C(=O)NC 1626a_100102657272_200010235943 [0,1,0,0,0,0|3,0,0]=4 773 B14R1.6720 CCCc1ccc(cc1Br)C(=O)NC 240690a_100102657272_200010235943 [0,1,0,0,0,0|3,0,0]=4 774 B14R1.6720 CCCc1ccc(cc1Br)C(=O)NC 527a_100102657272_200010235943 [0,1,0,0,0,0|3,0,0]=4 775 B14R1.6720 CCNc1ccc(cc1C)C(=O)NC 2230a_100000739472_100000210202 [0,1,0,0,0,0|3,0,0]=4 776 B14R1.6720 CCNc1ccc(cc1C)C(=O)NC 27a_100015525214_200013065384 [0,1,0,0,0,0|3,0,0]=4 777 B14R1.6720 CCNc1ccc(cc1C)C(=O)NC 34a_100000739472_100000210202 [0,1,0,0,0,0|3,0,0]=4 778 B14R1.6720 CCNc1ccc(cc1C)C(=O)NC 7a_100000739472_100000210202 [0,1,0,0,0,0|3,0,0]=4 779 B14R1.6720 CCOc1ccc(cc1Br)C(=O)CC 1458a_100000230806_100000210202 [0,1,0,0,0,0|1,0,1]=3 780 B14R1.6720 CCOc1ccc(cc1Br)C(=O)CF 1458a_100000230806_100015361967 [0,1,0,0,0,0|2,0,1]=4 781 B14R1.6720 CCOc1ccc(cc1Br)C(=O)NC 11a_106832991635_100000230806 [0,1,0,0,0,0|2,0,0]=3 782 B14R1.6720 CCOc1ccc(cc1Br)C(=O)NC 1626a_100102657272_100000230806 [0,1,0,0,0,0|2,0,0]=3 783 B14R1.6720 CCOc1ccc(cc1Br)C(=O)NC 240690a_100102657272_100000230806 [0,1,0,0,0,0|2,0,0]=3 784 B14R1.6720 CCOc1ccc(cc1Br)C(=O)NC 527a_100102657272_100000230806 [0,1,0,0,0,0|2,0,0]=3 785 B14R1.6720 CCOc1ccc(cc1Br)C(=O)OC 34a_100000216328_100000210202 [0,1,0,0,0,0|2,0,0]=3 786 B14R1.6720 CCOc1ccc(cc1Br)C(=O)OC 7a_100000216328_100000210202 [0,1,0,0,0,0|2,0,0]=3 787 B14R1.6720 CCOc1ccc(cc1C)C(=O)OC 34a_100011997373_100000210202 [0,1,0,0,0,0|2,0,0]=3 788 B14R1.6720 CCOc1ccc(cc1C)C(=O)OC 7a_100011997373_100000210202 [0,1,0,0,0,0|2,0,0]=3 789 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)CC 1458a_100000230665_100000210202 [0,1,0,0,0,0|1,0,1]=3 790 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)CC 34a_100011218862_100000210202 [0,1,0,0,0,0|1,0,1]=3 791 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)CC 7a_100011218862_100000210202 [0,1,0,0,0,0|1,0,1]=3 792 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)CCl 7a_200010170092_100000210202 [0,1,0,0,0,0|2,0,1]=4 793 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)CF 1458a_100000230665_100015361967 [0,1,0,0,0,0|2,0,1]=4 794 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)NC 11a_106832991635_100000230665 [0,1,0,0,0,0|2,0,0]=3 795 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)NC 1626a_100102657272_100000230665 [0,1,0,0,0,0|2,0,0]=3 796 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)NC 240690a_100102657272_100000230665 [0,1,0,0,0,0|2,0,0]=3 797 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)NC 527a_100102657272_100000230665 [0,1,0,0,0,0|2,0,0]=3 798 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)OC 34a_100000151454_100000210202 [0,1,0,0,0,0|2,0,0]=3 799 B14R1.6720 CCOc1ccc(cc1Cl)C(=O)OC 7a_100000151454_100000210202 [0,1,0,0,0,0|2,0,0]=3 800 B14R1.6720 CCOc1ccc(cc1F)C(=O)OC 34a_100000075456_100000210202 [0,1,0,0,0,0|2,0,0]=3 801 B14R1.6720 CCOc1ccc(cc1F)C(=O)OC 7a_100000075456_100000210202 [0,1,0,0,0,0|2,0,0]=3 802 B14R1.6720 CCOc1ccc(cc1I)C(=O)OC 34a_100010162523_100000210202 [0,1,0,0,0,0|2,0,0]=3 803 B14R1.6720 CCOc1ccc(cc1I)C(=O)OC 7a_100010162523_100000210202 [0,1,0,0,0,0|2,0,0]=3 804 B14R1.6720 CCOc1ccc(cc1N)C(=O)NN 34a_200000039609_100000210202 [0,1,0,0,0,0|3,0,0]=4 805 B14R1.6720 CCOc1ccc(cc1N)C(=O)OC 34a_100000724433_100000210202 [0,1,0,0,0,0|2,0,0]=3 806 B14R1.6720 CCOc1ccc(cc1N)C(=O)OC 7a_100000724433_100000210202 [0,1,0,0,0,0|2,0,0]=3 807 B14R1.6720 CCOc1ccc(nc1Br)C(=O)OC 34a_200009815348_100000210202 [0,1,0,0,0,0|3,0,0]=4 808 B14R1.6720 CCOc1ccc(nc1Br)C(=O)OC 7a_200009815348_100000210202 [0,1,0,0,0,0|3,0,0]=4 809 B14R1.6720 CCOc1ncc(cc1Br)C(=O)OC 34a_100015192546_100000210202 [0,1,0,0,0,0|3,0,0]=4 810 B14R1.6720 CCSc1ccc(cc1Br)C(=O)OC 62a_100000210202_100011294788 [0,1,0,0,0,0|2,1,0]=4 811 B14R1.6720 CCSc1ccc(cc1Br)C(=O)OC 62a_100011294788_100000210202 [0,1,0,0,0,0|2,1,0]=4 812 B14R1.6720 CCSc1ccc(cc1C)C(=O)CC 62a_100000210202_200012349626 [0,1,0,0,0,0|1,1,1]=4 813 B14R1.6720 CCSc1ccc(cc1C)C(=O)CC 62a_200012349626_100000210202 [0,1,0,0,0,0|1,1,1]=4 814 B14R1.6720 CCSc1ccc(cc1C)C(=O)NC 62a_100000210202_200013065384 [0,1,0,0,0,0|2,1,0]=4 815 B14R1.6720 CCSc1ccc(cc1C)C(=O)NC 62a_200013065384_100000210202 [0,1,0,0,0,0|2,1,0]=4 816 B14R1.6720 CCSc1ccc(cc1C)C(=O)OC 62a_100000210202_100011215878 [0,1,0,0,0,0|2,1,0]=4 817 B14R1.6720 CCSc1ccc(cc1C)C(=O)OC 62a_100011215878_100000210202 [0,1,0,0,0,0|2,1,0]=4 818 B14R1.6720 CCSc1ccc(cc1Cl)C(=O)OC 62a_100000210202_100012356344 [0,1,0,0,0,0|2,1,0]=4 819 B14R1.6720 CCSc1ccc(cc1Cl)C(=O)OC 62a_100012356344_100000210202 [0,1,0,0,0,0|2,1,0]=4 820 B14R1.6720 CCSc1ccc(cc1F)C(=O)OC 62a_100000210202_100000703229 [0,1,0,0,0,0|2,1,0]=4 821 B14R1.6720 CCSc1ccc(cc1F)C(=O)OC 62a_100000703229_100000210202 [0,1,0,0,0,0|2,1,0]=4 822 B14R1.6720 CCSc1ccc(cc1N)C(=O)OC 62a_100000210202_100011450966 [0,1,0,0,0,0|2,1,0]=4 823 B14R1.6720 CCSc1ccc(cc1N)C(=O)OC 62a_100011450966_100000210202 [0,1,0,0,0,0|2,1,0]=4 824 B14R1.6720 CCSc1ccc(cc1O)C(=O)OC 62a_100000210202_100012350776 [0,1,0,0,0,0|1,1,0]=3 825 B14R1.6720 CCSc1ccc(cc1O)C(=O)OC 62a_100012350776_100000210202 [0,1,0,0,0,0|1,1,0]=3 826 B14R1.6720 CCSc1ccc(nc1O)C(=O)OC 62a_100000210202_100010189637 [0,1,0,0,0,0|2,1,0]=4 827 B14R1.6720 CCSc1ncc(cc1O)C(=O)OC 62a_100000210202_100010999399 [0,1,0,0,0,0|2,1,0]=4 828 B14R1.6720 CCSc1ncc(cc1O)C(=O)OC 62a_100010999399_100000210202 [0,1,0,0,0,0|2,1,0]=4 829 B14R1.6720 COC(=O)c1ccc(c(c1)Br)OCF 34a_100000216328_100015361967 [0,1,0,0,0,0|3,0,0]=4 830 B14R1.6720 COC(=O)c1ccc(c(c1)Br)OCF 7a_100000216328_100015361967 [0,1,0,0,0,0|3,0,0]=4 831 B14R1.6720 COC(=O)c1ccc(c(c1)C)OCF 34a_100011997373_100015361967 [0,1,0,0,0,0|3,0,0]=4 832 B14R1.6720 COC(=O)c1ccc(c(c1)C)OCF 7a_100011997373_100015361967 [0,1,0,0,0,0|3,0,0]=4 833 B14R1.6720 COC(=O)c1ccc(c(c1)Cl)OCF 34a_100000151454_100015361967 [0,1,0,0,0,0|3,0,0]=4 834 B14R1.6720 COC(=O)c1ccc(c(c1)Cl)OCF 7a_100000151454_100015361967 [0,1,0,0,0,0|3,0,0]=4 835 B14R1.6720 COC(=O)c1ccc(c(c1)F)OCF 34a_100000075456_100015361967 [0,1,0,0,0,0|3,0,0]=4 836 B14R1.6720 COC(=O)c1ccc(c(c1)F)OCF 7a_100000075456_100015361967 [0,1,0,0,0,0|3,0,0]=4 837 B14R1.6720 COC(=O)c1ccc(c(c1)I)OCF 34a_100010162523_100015361967 [0,1,0,0,0,0|3,0,0]=4 838 B14R1.6720 COC(=O)c1ccc(c(c1)I)OCF 7a_100010162523_100015361967 [0,1,0,0,0,0|3,0,0]=4 839 B14R1.6720 COC(=O)c1ccc(c(c1)N)OCF 34a_100000724433_100015361967 [0,1,0,0,0,0|3,0,0]=4 840 B14R1.6720 COC(=O)c1ccc(c(c1)N)OCF 7a_100000724433_100015361967 [0,1,0,0,0,0|3,0,0]=4 841 B14R1.6720 COC(=O)c1ccc(c(c1)O)SCF 62a_100012350776_100015361967 [0,1,0,0,0,0|2,1,0]=4 842 B14R1.6720 COC(=O)c1ccc(c(c1)O)SCF 62a_100015361967_100012350776 [0,1,0,0,0,0|2,1,0]=4 843 B14R1.6788 C=C=Cc1ccc(c(c1)C#N)OCC 271570a_100015277604_100000188824 [0,1,0,0,0,0|1,0,2]=4 844 B14R1.6788 C=C=Cc1ccc(c(c1)C=O)OCC 271570a_100015277604_100000170027 [0,1,0,0,0,0|0,0,3]=4 845 B14R1.6788 C=C=Cc1ccc(c(c1)CC)OCC 271570a_100015277604_200010070707 [0,1,0,0,0,0|1,0,2]=4 846 B14R1.6788 C=C=Cc1ccc(c(c1)OC)OCC 271570a_100015277604_200012344064 [0,1,0,0,0,0|0,0,2]=3 847 B14R1.6788 C=C=Cc1cnc(c(c1)OC)OCC 271570a_100015277604_200010116856 [0,1,0,0,0,0|1,0,2]=4 848 B14R1.6788 C=CCc1ccc(c(c1)OC)OCC 34a_100000181329_100000210202 [0,1,0,0,0,0|0,0,2]=3 849 B14R1.6788 C=CCc1ccc(c(c1)OC)OCF 34a_100000181329_100015361967 [0,1,0,0,0,0|1,0,2]=4 850 B14R1.6788 CC=Cc1ccc(c(c1)C#N)OCC 271570a_100016259895_100000188824 [0,1,0,0,0,0|1,0,0]=2 851 B14R1.6788 CC=Cc1ccc(c(c1)C=O)OCC 271570a_100016259895_100000170027 [0,1,0,0,0,0|0,0,1]=2 852 B14R1.6788 CC=Cc1ccc(c(c1)CC)OCC 271570a_100016259895_200010070707 [0,1,0,0,0,0|1,0,0]=2 853 B14R1.6788 CC=Cc1ccc(c(c1)OC)CC#N 271570a_100016259895_100010245117 [0,1,0,0,0,0|2,0,1]=4 854 B14R1.6788 CC=Cc1ccc(c(c1)OC)CNC 26a_100102657272_100015195088 [0,1,0,0,0,0|2,0,0]=3 855 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 271570a_100016259895_200012344064 [0,1,0,0,0,0|0,0,0]=1 856 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100000057189_200000210301 [0,1,0,0,0,0|0,0,0]=1 857 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 34a_100015195088_100000210202 [0,1,0,0,0,0|0,0,0]=1 858 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCC 7a_100000057189_200000210301 [0,1,0,0,0,0|0,0,0]=1 859 B14R1.6788 CC=Cc1ccc(c(c1)OC)OCF 34a_100015195088_100015361967 [0,1,0,0,0,0|1,0,0]=2 860 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 34a_100000057189_200025704644 [0,1,0,0,0,0|0,0,0]=1 861 B14R1.6788 CC=Cc1ccc(c(c1)O[13CH3])OCC 7a_100000057189_200025704644 [0,1,0,0,0,0|0,0,0]=1 862 B14R1.6788 CC=Cc1cnc(c(c1)C#N)NCC 271570a_100016259895_100012343968 [0,1,0,0,0,0|3,0,0]=4 863 B14R1.6788 CC=Cc1cnc(c(c1)OC)OCC 271570a_100016259895_200010116856 [0,1,0,0,0,0|1,0,0]=2 864 B14R1.6788 CCCc1ccc(c(c1)OC)OCC 34a_100000012292_100000210202 [0,1,0,0,0,0|0,0,2]=3 865 B14R1.6788 CCCc1ccc(c(c1)OC)OCC 7a_100000012292_100000210202 [0,1,0,0,0,0|0,0,2]=3 866 B14R1.6788 CCCc1ccc(c(c1)OC)OCF 34a_100000012292_100015361967 [0,1,0,0,0,0|1,0,2]=4 867 B14R1.6788 CCCc1ccc(c(c1)OC)OCF 7a_100000012292_100015361967 [0,1,0,0,0,0|1,0,2]=4 868 B14R1.6788 CCNc1ccc(c(c1)OC)OCC 2230a_100000184985_100000210202 [0,1,0,0,0,0|1,0,1]=3 869 B14R1.6788 CCNc1ccc(c(c1)OC)OCC 34a_100000184985_100000210202 [0,1,0,0,0,0|1,0,1]=3 870 B14R1.6788 CCOc1ccc(c(c1)NC)OCC 2230a_100000211849_200000210301 [0,1,0,0,0,0|2,0,1]=4 871 B14R1.6788 CCOc1ccc(c(c1)NC)OCC 34a_100000211849_200000210301 [0,1,0,0,0,0|2,0,1]=4 872 B14R1.6788 CCOc1ccc(c(c1)N[13CH3])OCC 2230a_100000211849_200025704644 [0,1,0,0,0,0|2,0,1]=4 873 B14R1.6788 CCOc1ccc(c(c1)N[13CH3])OCC 34a_100000211849_200025704644 [0,1,0,0,0,0|2,0,1]=4 874 B14R1.6788 CCOc1ccc(cc1C#N)SCC 62a_100000210202_100000188824 [0,1,0,0,0,0|2,0,1]=4 875 B14R1.6788 CCOc1ccc(cc1C=O)SCC 62a_100000170027_100000210202 [0,1,0,0,0,0|1,0,2]=4 876 B14R1.6788 CCOc1ccc(cc1CC)SCC 62a_100000210202_200010070707 [0,1,0,0,0,0|2,0,1]=4 877 B14R1.6788 CCOc1ccc(cc1CC)SCC 62a_200010070707_100000210202 [0,1,0,0,0,0|2,0,1]=4 878 B14R1.6788 CCOc1ccc(cc1CO)CNC 207a_100102657272_100000051005 [0,1,0,0,0,0|1,0,1]=3 879 B14R1.6788 CCOc1ccc(cc1CO)CNC 270004a_106832991635_100000051005 [0,1,0,0,0,0|1,0,1]=3 880 B14R1.6788 CCOc1ccc(cc1OC)CC#N 34a_100000032377_100000210202 [0,1,0,0,0,0|1,0,2]=4 881 B14R1.6788 CCOc1ccc(cc1OC)CCBr 34a_100010741665_100000210202 [0,1,0,0,0,0|1,0,2]=4 882 B14R1.6788 CCOc1ccc(cc1OC)CCBr 7a_100010741665_100000210202 [0,1,0,0,0,0|1,0,2]=4 883 B14R1.6788 CCOc1ccc(cc1OC)CCN 34a_100000756042_100000210202 [0,1,0,0,0,0|1,0,2]=4 884 B14R1.6788 CCOc1ccc(cc1OC)CCO 34a_100011215244_100000210202 [0,1,0,0,0,0|1,0,2]=4 885 B14R1.6788 CCOc1ccc(cc1OC)CNC 207a_100102657272_100000169853 [0,1,0,0,0,0|1,0,1]=3 886 B14R1.6788 CCOc1ccc(cc1OC)CNC 2230a_200000739100_200000210301 [0,1,0,0,0,0|1,0,1]=3 887 B14R1.6788 CCOc1ccc(cc1OC)CNC 270004a_106832991635_100000169853 [0,1,0,0,0,0|1,0,1]=3 888 B14R1.6788 CCOc1ccc(cc1OC)CNC 34a_200000739100_200000210301 [0,1,0,0,0,0|1,0,1]=3 889 B14R1.6788 CCOc1ccc(cc1OC)CN[13CH3] 2230a_200000739100_200025704644 [0,1,0,0,0,0|1,0,1]=3 890 B14R1.6788 CCOc1ccc(cc1OC)CN[13CH3] 34a_200000739100_200025704644 [0,1,0,0,0,0|1,0,1]=3 891 B14R1.6788 CCOc1ccc(cc1OC)COC 34a_100000184821_200000210301 [0,1,0,0,0,0|1,0,1]=3 892 B14R1.6788 CCOc1ccc(cc1OC)CO[13CH3] 34a_100000184821_200025704644 [0,1,0,0,0,0|1,0,1]=3 893 B14R1.6788 CCOc1ccc(cc1OC)NCF 34a_100000184985_100015361967 [0,1,0,0,0,0|2,0,1]=4 894 B14R1.6788 CCOc1ncc(cc1OC)SCC 62a_100000210202_200010116856 [0,1,0,0,0,0|2,0,1]=4 895 B14R1.10286 C=C=Cc1ccc(c(c1F)F)OCC 271570a_100015277604_100010177744 [0,1,0,0,0,0|1,0,2]=4 896 B14R1.10286 CC=Cc1ccc(c(c1F)F)OCC 271570a_100016259895_100010177744 [0,1,0,0,0,0|1,0,0]=2 897 B14R1.10286 CCNc1ccc(c(c1F)F)OCC 2230a_100000061421_100000210202 [0,1,0,0,0,0|2,0,1]=4 898 B14R1.10286 CCNc1ccc(c(c1F)F)OCC 34a_100000061421_100000210202 [0,1,0,0,0,0|2,0,1]=4 899 B14R1.10286 CCNc1ccc(c(c1F)F)OCC 7a_100000061421_100000210202 [0,1,0,0,0,0|2,0,1]=4 900 B14R1.10286 CCOc1ccc(c(c1F)F)CNC 207a_100102657272_100000061987 [0,1,0,0,0,0|2,0,1]=4 901 B14R1.10286 CCOc1ccc(c(c1F)F)CNC 2230a_106832991635_200009814557 [0,1,0,0,0,0|2,0,1]=4 902 B14R1.10286 CCOc1ccc(c(c1F)F)CNC 34a_100102657272_200009814557 [0,1,0,0,0,0|2,0,1]=4 903 B14R1.10286 CCOc1ccc(c(c1F)F)CNC 7a_106832991635_200009814557 [0,1,0,0,0,0|2,0,1]=4 904 B14R1.10286 CCOc1ccc(c(c1F)F)COC 34a_100000061422_200000210301 [0,1,0,0,0,0|2,0,1]=4 905 B14R1.10286 CCOc1ccc(c(c1F)F)COC 34a_100138415774_200009814557 [0,1,0,0,0,0|2,0,1]=4 906 B14R1.10286 CCOc1ccc(c(c1F)F)COC 7a_100000061422_200000210301 [0,1,0,0,0,0|2,0,1]=4 907 B14R1.10286 CCOc1ccc(c(c1F)F)CO[13CH3] 34a_100000061422_200025704644 [0,1,0,0,0,0|2,0,1]=4 908 B14R1.10286 CCOc1ccc(c(c1F)F)CO[13CH3] 7a_100000061422_200025704644 [0,1,0,0,0,0|2,0,1]=4 909 B14R1.10286 CCOc1ccc(c(c1F)F)CSC 62a_200000210301_200009814557 [0,1,0,0,0,0|2,0,1]=4 910 B14R1.10286 CCOc1ccc(c(c1F)F)CSC 62a_200009814557_200000210301 [0,1,0,0,0,0|2,0,1]=4 911 B14R1.10286 CCOc1ccc(c(c1F)F)CS[13CH3] 62a_200009814557_200025704644 [0,1,0,0,0,0|2,0,1]=4 912 B14R1.10286 CCOc1ccc(c(c1F)F)CS[13CH3] 62a_200025704644_200009814557 [0,1,0,0,0,0|2,0,1]=4 913 B14R1.10286 CCOc1ccc(c(c1F)F)OCC 34a_100000061663_100000210202 [0,1,0,0,0,0|2,0,1]=4 914 B14R1.10286 CCOc1ccc(c(c1F)F)OCC 7a_100000061663_100000210202 [0,1,0,0,0,0|2,0,1]=4 915 B14R1.10286 CCOc1ccc(c(c1F)F)SCC 62a_100000210202_100010177744 [0,1,0,0,0,0|2,0,1]=4 916 B14R1.10286 CCOc1ccc(c(c1F)F)SCC 62a_100010177744_100000210202 [0,1,0,0,0,0|2,0,1]=4 917 B14R2.112 C=C=Cc1ccc2c(c1)CCCO2 271570a_100015277604_100011393166 [0,0,0,1,0,0|1,0,2]=4 918 B14R2.112 C=C=Cc1ccc2c(c1)NCCO2 271570a_100015277604_100000708519 [0,0,0,1,0,0|1,0,2]=4 919 B14R2.112 C=C=Cc1ccc2c(c1)OCCC2 271570a_100015277604_100010700467 [0,0,0,1,0,0|1,0,2]=4 920 B14R2.112 C=C=Cc1ccc2c(c1)OCCN2 271570a_100015277604_100012355470 [0,0,0,1,0,0|1,0,2]=4 921 B14R2.112 C=C=Cc1ccc2c(c1)OCCO2 271570a_100015277604_100000184379 [0,0,0,1,0,0|0,0,2]=3 922 B14R2.112 CC=Cc1ccc2c(c1)CCCC2 271570a_100016259895_100011221367 [0,0,0,1,0,0|2,0,0]=3 923 B14R2.112 CC=Cc1ccc2c(c1)CCCN2 271570a_100016259895_100016994925 [0,0,0,1,0,0|2,0,0]=3 924 B14R2.112 CC=Cc1ccc2c(c1)CCCO2 271570a_100016259895_100011393166 [0,0,0,1,0,0|1,0,0]=2 925 B14R2.112 CC=Cc1ccc2c(c1)CCNC2 271570a_100016259895_100000686056 [0,0,0,1,0,0|3,0,0]=4 926 B14R2.112 CC=Cc1ccc2c(c1)CNCC2 271570a_100016259895_100015189961 [0,0,0,1,0,0|3,0,0]=4 927 B14R2.112 CC=Cc1ccc2c(c1)COCC2 271570a_100016259895_100010128096 [0,0,0,1,0,0|3,0,0]=4 928 B14R2.112 CC=Cc1ccc2c(c1)NCCC2 271570a_100016259895_100010196366 [0,0,0,1,0,0|2,0,0]=3 929 B14R2.112 CC=Cc1ccc2c(c1)NCCO2 271570a_100016259895_100000708519 [0,0,0,1,0,0|1,0,0]=2 930 B14R2.112 CC=Cc1ccc2c(c1)NCCS2 271570a_100016259895_100013243616 [0,0,0,1,0,0|1,1,0]=3 931 B14R2.112 CC=Cc1ccc2c(c1)OCCC2 271570a_100016259895_100010700467 [0,0,0,1,0,0|1,0,0]=2 932 B14R2.112 CC=Cc1ccc2c(c1)OCCN2 271570a_100016259895_100012355470 [0,0,0,1,0,0|1,0,0]=2 933 B14R2.112 CC=Cc1ccc2c(c1)OCCO2 271570a_100016259895_100000184379 [0,0,0,1,0,0|0,0,0]=1 934 B14R2.112 CC=Cc1ccc2c(n1)CCCC2 271570a_100016259895_100000046135 [0,0,0,1,0,0|3,0,0]=4 935 B14R2.112 CC=Cc1ccc2c(n1)CCCN2 271570a_100016259895_100010277722 [0,0,0,1,0,0|3,0,0]=4 936 B14R2.112 CC=Cc1ccc2c(n1)NCCC2 271570a_100016259895_100009952728 [0,0,0,1,0,0|3,0,0]=4 937 B14R2.112 CC=Cc1ccc2c(n1)NCCO2 271570a_100016259895_100010209492 [0,0,0,1,0,0|2,0,0]=3 938 B14R2.112 CC=Cc1cnc2c(c1)CCCC2 271570a_100016259895_100010236098 [0,0,0,1,0,0|3,0,0]=4 939 B14R2.112 CC=Cc1cnc2c(c1)CCCO2 271570a_100016259895_100010109689 [0,0,0,1,0,0|2,0,0]=3 940 B14R2.112 CC=Cc1cnc2c(c1)NCCO2 271570a_100016259895_100000700286 [0,0,0,1,0,0|2,0,0]=3 941 B14R2.112 CC=Cc1cnc2c(c1)OCCN2 271570a_100016259895_100009816924 [0,0,0,1,0,0|2,0,0]=3 942 B14R2.112 CCNc1ccc2c(c1)CCCO2 2230a_100138412508_100000210202 [0,0,0,1,0,0|2,0,1]=4 943 B14R2.112 CCNc1ccc2c(c1)CCCO2 34a_100138412508_100000210202 [0,0,0,1,0,0|2,0,1]=4 944 B14R2.112 CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000210202 [0,0,0,1,0,0|1,0,1]=3 945 B14R2.112 CCNc1ccc2c(c1)OCCO2 34a_100020630400_100000210202 [0,0,0,1,0,0|1,0,1]=3 946 B14R2.112 CCOc1ccc2c(c1)NCCO2 34a_100020636358_100000210202 [0,0,0,1,0,0|2,0,1]=4 947 B14R2.112 CCOc1ccc2c(c1)OCCO2 34a_100000234341_100000210202 [0,0,0,1,0,0|1,0,1]=3 948 B14R2.112 CCSc1ccc2c(c1)CCCO2 62a_100000210202_100011393166 [0,0,0,1,0,0|2,0,1]=4 949 B14R2.112 CCSc1ccc2c(c1)CCCO2 62a_100011393166_100000210202 [0,0,0,1,0,0|2,0,1]=4 950 B14R2.112 CCSc1ccc2c(c1)NCCO2 62a_100000210202_100000708519 [0,0,0,1,0,0|2,0,1]=4 951 B14R2.112 CCSc1ccc2c(c1)OCCC2 62a_100000210202_100010700467 [0,0,0,1,0,0|2,0,1]=4 952 B14R2.112 CCSc1ccc2c(c1)OCCC2 62a_100010700467_100000210202 [0,0,0,1,0,0|2,0,1]=4 953 B14R2.112 CCSc1ccc2c(c1)OCCN2 62a_100000210202_100012355470 [0,0,0,1,0,0|2,0,1]=4 954 B14R2.112 CCSc1ccc2c(c1)OCCO2 62a_100000210202_100011216881 [0,0,0,1,0,0|1,0,1]=3 955 B14R2.112 CCSc1ccc2c(c1)OCCO2 62a_100011216881_100000210202 [0,0,0,1,0,0|1,0,1]=3 956 B14R2.112 CNCc1ccc2c(c1)CCCO2 207a_100102657272_100011934692 [0,0,0,1,0,0|2,0,1]=4 957 B14R2.112 CNCc1ccc2c(c1)CCCO2 270004a_106832991635_100011934692 [0,0,0,1,0,0|2,0,1]=4 958 B14R2.112 CNCc1ccc2c(c1)OCCO2 207a_100102657272_100000184955 [0,0,0,1,0,0|1,0,1]=3 959 B14R2.112 CNCc1ccc2c(c1)OCCO2 2230a_100000684186_200000210301 [0,0,0,1,0,0|1,0,1]=3 960 B14R2.112 CNCc1ccc2c(c1)OCCO2 270004a_106832991635_100000184955 [0,0,0,1,0,0|1,0,1]=3 961 B14R2.112 CNCc1ccc2c(c1)OCCO2 34a_100000684186_200000210301 [0,0,0,1,0,0|1,0,1]=3 962 B14R2.112 CNCc1ccc2c(n1)OCCO2 207a_100102657272_100009856165 [0,0,0,1,0,0|2,0,1]=4 963 B14R2.112 CNCc1ccc2c(n1)OCCO2 270004a_106832991635_100009856165 [0,0,0,1,0,0|2,0,1]=4 964 B14R2.112 COCc1ccc2c(c1)OCCO2 34a_100000745213_200000210301 [0,0,0,1,0,0|1,0,1]=3 965 B14R2.112 FCNc1ccc2c(c1)OCCO2 34a_100020630400_100015361967 [0,0,0,1,0,0|2,0,1]=4 966 B14R2.112 FCOc1ccc2c(c1)OCCO2 34a_100000234341_100015361967 [0,0,0,1,0,0|2,0,1]=4 967 B14R2.112 FCSc1ccc2c(c1)OCCO2 62a_100011216881_100015361967 [0,0,0,1,0,0|2,0,1]=4 968 B14R2.112 FCSc1ccc2c(c1)OCCO2 62a_100015361967_100011216881 [0,0,0,1,0,0|2,0,1]=4 969 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 2230a_100000684186_200025704644 [0,0,0,1,0,0|1,0,1]=3 970 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 34a_100000684186_200025704644 [0,0,0,1,0,0|1,0,1]=3 971 B14R2.112 [13CH3]OCc1ccc2c(c1)OCCO2 34a_100000745213_200025704644 [0,0,0,1,0,0|1,0,1]=3 972 B14R2.583 CCOc1cc2c(cc1Br)CCC2 34a_200010659162_100000210202 [0,0,0,1,0,0|1,0,2]=4 973 B14R2.583 CCOc1cc2c(cc1Br)CCC2 7a_200010659162_100000210202 [0,0,0,1,0,0|1,0,2]=4 974 B14R2.583 CCOc1cc2c(cc1F)CCC2 34a_200000146645_100000210202 [0,0,0,1,0,0|1,0,2]=4 975 B14R2.583 CCOc1cc2c(cc1F)CCC2 7a_200000146645_100000210202 [0,0,0,1,0,0|1,0,2]=4 976 B14R2.583 CCSc1cc2[nH]ccc2cc1Br 62a_100000210202_100000703010 [0,0,0,1,0,0|2,1,0]=4 977 B14R2.583 CCSc1cc2[nH]ccc2cc1Br 62a_100000703010_100000210202 [0,0,0,1,0,0|2,1,0]=4 978 B14R2.583 CCSc1cc2[nH]ccc2cc1C 62a_100000210202_100010199660 [0,0,0,1,0,0|2,1,0]=4 979 B14R2.583 CCSc1cc2[nH]ccc2cc1F 62a_100000210202_100009817181 [0,0,0,1,0,0|2,1,0]=4 980 B14R2.583 CCSc1cc2[nH]ccc2cc1F 62a_100009817181_100000210202 [0,0,0,1,0,0|2,1,0]=4 981 B14R2.583 CCSc1cc2[nH]ncc2cc1O 62a_100000210202_100010080172 [0,0,0,1,0,0|2,1,0]=4 982 B14R2.583 CCSc1cc2c(cc1O)CCC2 62a_100000210202_200010659162 [0,0,0,1,0,0|0,1,2]=4 983 B14R2.583 CCSc1cc2c(cc1O)CCC2 62a_200010659162_100000210202 [0,0,0,1,0,0|0,1,2]=4 984 B14R2.583 CCSc1cc2sccc2cc1C 62a_100000210202_100010762285 [0,0,0,1,0,0|2,1,0]=4 985 B14R2.583 CCSc1cc2sccc2cc1C 62a_100010762285_100000210202 [0,0,0,1,0,0|2,1,0]=4 986 B14R2.587 CC=Cc1cc(c2cn[nH]c2c1)O 271570a_100016259895_100010185960 [0,0,0,1,0,0|3,0,0]=4 987 B14R2.587 CC=Cc1cc(c2occc2c1)C 271570a_100016259895_100012361858 [0,0,0,1,0,0|1,0,2]=4 988 B14R2.587 CC=Cc1cc(c2occc2c1)F 271570a_100016259895_100012355474 [0,0,0,1,0,0|1,0,2]=4 989 B14R2.587 CNCc1cc(c2c(c1)CCO2)Br 207a_100102657272_100009816904 [0,0,0,1,0,0|2,0,1]=4 990 B14R2.587 CNCc1cc(c2c(c1)CCO2)Br 270004a_106832991635_100009816904 [0,0,0,1,0,0|2,0,1]=4 991 B14R2.808 CCSc1ccc2c(c1O)CCC2 62a_100000210202_100010662108 [0,0,0,1,0,0|0,1,2]=4 992 B14R2.808 CCSc1ccc2c(c1O)CCC2 62a_100010662108_100000210202 [0,0,0,1,0,0|0,1,2]=4 993 B14R2.808 CCSc1ccc2cc[nH]c2c1C 62a_100000210202_100009816929 [0,0,0,1,0,0|2,1,0]=4 994 B14R2.4437 CCOc1ccc(cc1Br)C2CC2 34a_100135415898_100000210202 [0,0,0,1,0,0|1,0,2]=4 995 B14R2.4437 CCOc1ccc(cc1Br)C2CC2 7a_100135415898_100000210202 [0,0,0,1,0,0|1,0,2]=4 996 B14R2.4437 CCOc1ccc(cc1C)C2CC2 271570a_100011220607_100011308936 [0,0,0,1,0,0|1,0,2]=4 997 B14R2.4437 CCOc1ccc(cc1F)C2CC2 271570a_100011220607_200000171753 [0,0,0,1,0,0|1,0,2]=4 998 B14R2.4437 CCOc1ccc(cc1F)C2CC2 34a_100013172525_100000210202 [0,0,0,1,0,0|1,0,2]=4 999 B14R2.4437 CCOc1ccc(cc1F)C2CC2 7a_100013172525_100000210202 [0,0,0,1,0,0|1,0,2]=4 1000 B14R2.4437 CCOc1ccc(cc1N)C2CC2 271570a_100011220607_100000751366 [0,0,0,1,0,0|1,0,2]=4 1001 B14R2.6400 CC=Cc1ccc2[nH]c(=O)oc2c1 271570a_100016259895_100000697996 [0,0,0,1,0,0|2,0,1]=4 1002 B14R2.6400 CC=Cc1ccc2[nH]c(cc2c1)C 271570a_100016259895_100011214893 [0,0,0,1,0,0|2,0,1]=4 1003 B14R2.6400 CC=Cc1ccc2[nH]c(nc2c1)C 271570a_100016259895_100011264012 [0,0,0,1,0,0|2,0,1]=4 1004 B14R2.6400 CC=Cc1ccc2c(c1)CC(C2)N 271570a_100016259895_100015193702 [0,0,0,1,0,0|3,0,0]=4 1005 B14R2.6400 CC=Cc1ccc2c(c1)CC(C2)O 271570a_100016259895_100010161096 [0,0,0,1,0,0|3,0,0]=4 1006 B14R2.6400 CC=Cc1ccc2cc([nH]c2c1)C 271570a_100016259895_100010196937 [0,0,0,1,0,0|2,0,1]=4 1007 B14R2.6400 CC=Cc1ccc2cn(nc2c1)C 271570a_100016259895_100009817169 [0,0,0,1,0,0|3,0,0]=4 1008 B14R2.6400 CC=Cc1ccc2nc(oc2c1)C 271570a_100016259895_100010171164 [0,0,0,1,0,0|1,0,1]=3 1009 B14R2.6400 CC=Cc1ccc2nc(oc2c1)N 271570a_100016259895_100010000678 [0,0,0,1,0,0|2,0,1]=4 1010 B14R2.6400 CC=Cc1ccc2nc(sc2c1)C 271570a_100016259895_100009813144 [0,0,0,1,0,0|1,1,1]=4 1011 B14R2.6400 CC=Cc1ccc2nn(cc2c1)C 271570a_100016259895_100009817163 [0,0,0,1,0,0|3,0,0]=4 1012 B14R2.6400 CC=Cc1ccc2oc(=O)[nH]c2c1 271570a_100016259895_100000764829 [0,0,0,1,0,0|2,0,1]=4 1013 B14R2.6400 CC=Cc1ccc2oc(nc2c1)C 271570a_100016259895_100009816932 [0,0,0,1,0,0|1,0,1]=3 1014 B14R2.6400 CC=Cc1ccc2oc(nc2c1)N 271570a_100016259895_100000737949 [0,0,0,1,0,0|2,0,1]=4 1015 B14R2.6400 CC=Cc1ccc2sc(cc2c1)C 271570a_100016259895_100000695401 [0,0,0,1,0,0|1,1,1]=4 1016 B14R2.6400 CC=Cc1ccc2sc(nc2c1)C 271570a_100016259895_100009813953 [0,0,0,1,0,0|1,1,1]=4 1017 B14R2.6400 CC=Cc1cnc2nc(oc2c1)C 271570a_100016259895_100010235748 [0,0,0,1,0,0|2,0,1]=4 1018 B14R2.6400 CC=Cc1cnc2oc(nc2c1)C 271570a_100016259895_100010178690 [0,0,0,1,0,0|2,0,1]=4 1019 B14R2.6400 CCNc1ccc2c(c1)CC(O2)C 2230a_100102713350_100000210202 [0,0,0,1,0,0|2,0,1]=4 1020 B14R2.6400 CCNc1ccc2c(c1)CC(O2)C 34a_100102713350_100000210202 [0,0,0,1,0,0|2,0,1]=4 1021 B11R1.81 CC=Cc1ccc(cc1O)C 271570a_100016259895_100012002257 [2,0,0,0,0,0|1,0,1]=4 1022 B11R1.81 CCNc1ccc(cc1Br)C 34a_100000210942_100000210202 [2,0,0,0,0,0|2,0,0]=4 1023 B11R1.81 CCNc1ccc(cc1C)C 34a_100000736561_100000210202 [2,0,0,0,0,0|2,0,0]=4 1024 B11R1.81 CCNc1ccc(cc1C)C 7a_100000736561_100000210202 [2,0,0,0,0,0|2,0,0]=4 1025 B11R1.81 CCNc1ccc(cc1Cl)C 34a_100000210522_100000210202 [2,0,0,0,0,0|2,0,0]=4 1026 B11R1.81 CCNc1ccc(cc1F)C 34a_100000211023_100000210202 [2,0,0,0,0,0|2,0,0]=4 1027 B11R1.81 CCNc1ccc(cc1I)C 34a_100011356834_100000210202 [2,0,0,0,0,0|2,0,0]=4 1028 B11R1.81 CCNc1ccc(cc1O)Br 34a_100000739049_100000210202 [2,0,0,0,0,0|2,0,0]=4 1029 B11R1.81 CCNc1ccc(cc1O)C 34a_100000211527_100000210202 [2,0,0,0,0,0|1,0,0]=3 1030 B11R1.81 CCNc1ccc(cc1O)Cl 34a_100000185728_100000210202 [2,0,0,0,0,0|2,0,0]=4 1031 B11R1.81 CCNc1ccc(cc1O)F 34a_100000753323_100000210202 [2,0,0,0,0,0|2,0,0]=4 1032 B11R1.81 CCNc1ccc(cc1O)O 34a_100000106777_100000210202 [2,0,0,0,0,0|2,0,0]=4 1033 B11R1.81 CCOc1ccc(cc1Br)Br 34a_100000188717_100000210202 [2,0,0,0,0,0|2,0,0]=4 1034 B11R1.81 CCOc1ccc(cc1Br)Br 7a_100000188717_100000210202 [2,0,0,0,0,0|2,0,0]=4 1035 B11R1.81 CCOc1ccc(cc1Br)C 34a_100000210800_100000210202 [2,0,0,0,0,0|1,0,0]=3 1036 B11R1.81 CCOc1ccc(cc1Br)C 7a_100000210800_100000210202 [2,0,0,0,0,0|1,0,0]=3 1037 B11R1.81 CCOc1ccc(cc1Br)Cl 34a_100000211998_100000210202 [2,0,0,0,0,0|2,0,0]=4 1038 B11R1.81 CCOc1ccc(cc1Br)Cl 7a_100000211998_100000210202 [2,0,0,0,0,0|2,0,0]=4 1039 B11R1.81 CCOc1ccc(cc1Br)F 34a_100000211999_100000210202 [2,0,0,0,0,0|2,0,0]=4 1040 B11R1.81 CCOc1ccc(cc1Br)F 7a_100000211999_100000210202 [2,0,0,0,0,0|2,0,0]=4 1041 B11R1.81 CCOc1ccc(cc1Br)I 34a_100012361655_100000210202 [2,0,0,0,0,0|2,0,0]=4 1042 B11R1.81 CCOc1ccc(cc1Br)I 7a_100012361655_100000210202 [2,0,0,0,0,0|2,0,0]=4 1043 B11R1.81 CCOc1ccc(cc1Br)N 34a_100011534360_100000210202 [2,0,0,0,0,0|2,0,0]=4 1044 B11R1.81 CCOc1ccc(cc1Br)N 7a_100011534360_100000210202 [2,0,0,0,0,0|2,0,0]=4 1045 B11R1.81 CCOc1ccc(cc1C)Br 34a_100000186361_100000210202 [2,0,0,0,0,0|2,0,0]=4 1046 B11R1.81 CCOc1ccc(cc1C)Br 7a_100000186361_100000210202 [2,0,0,0,0,0|2,0,0]=4 1047 B11R1.81 CCOc1ccc(cc1C)C 34a_100000211776_100000210202 [2,0,0,0,0,0|1,0,0]=3 1048 B11R1.81 CCOc1ccc(cc1C)C 7a_100000211776_100000210202 [2,0,0,0,0,0|1,0,0]=3 1049 B11R1.81 CCOc1ccc(cc1C)Cl 34a_100000211091_100000210202 [2,0,0,0,0,0|2,0,0]=4 1050 B11R1.81 CCOc1ccc(cc1C)Cl 7a_100000211091_100000210202 [2,0,0,0,0,0|2,0,0]=4 1051 B11R1.81 CCOc1ccc(cc1C)F 34a_100000764316_100000210202 [2,0,0,0,0,0|2,0,0]=4 1052 B11R1.81 CCOc1ccc(cc1C)F 7a_100000764316_100000210202 [2,0,0,0,0,0|2,0,0]=4 1053 B11R1.81 CCOc1ccc(cc1C)I 34a_100011218673_100000210202 [2,0,0,0,0,0|2,0,0]=4 1054 B11R1.81 CCOc1ccc(cc1C)I 7a_100011218673_100000210202 [2,0,0,0,0,0|2,0,0]=4 1055 B11R1.81 CCOc1ccc(cc1C)N 34a_100011218179_100000210202 [2,0,0,0,0,0|2,0,0]=4 1056 B11R1.81 CCOc1ccc(cc1C)N 7a_100011218179_100000210202 [2,0,0,0,0,0|2,0,0]=4 1057 B11R1.81 CCOc1ccc(cc1C)O 271570a_203496583355_100011308936 [2,0,0,0,0,0|2,0,0]=4 1058 B11R1.81 CCOc1ccc(cc1Cl)Br 34a_100000186472_100000210202 [2,0,0,0,0,0|2,0,0]=4 1059 B11R1.81 CCOc1ccc(cc1Cl)Br 7a_100000186472_100000210202 [2,0,0,0,0,0|2,0,0]=4 1060 B11R1.81 CCOc1ccc(cc1Cl)C 34a_100000749699_100000210202 [2,0,0,0,0,0|1,0,0]=3 1061 B11R1.81 CCOc1ccc(cc1Cl)C 7a_100000749699_100000210202 [2,0,0,0,0,0|1,0,0]=3 1062 B11R1.81 CCOc1ccc(cc1Cl)Cl 34a_100015191787_100000210202 [2,0,0,0,0,0|2,0,0]=4 1063 B11R1.81 CCOc1ccc(cc1Cl)Cl 7a_100015191787_100000210202 [2,0,0,0,0,0|2,0,0]=4 1064 B11R1.81 CCOc1ccc(cc1Cl)F 34a_100000212004_100000210202 [2,0,0,0,0,0|2,0,0]=4 1065 B11R1.81 CCOc1ccc(cc1Cl)F 7a_100000212004_100000210202 [2,0,0,0,0,0|2,0,0]=4 1066 B11R1.81 CCOc1ccc(cc1Cl)I 34a_100012360047_100000210202 [2,0,0,0,0,0|2,0,0]=4 1067 B11R1.81 CCOc1ccc(cc1Cl)I 7a_100012360047_100000210202 [2,0,0,0,0,0|2,0,0]=4 1068 B11R1.81 CCOc1ccc(cc1Cl)N 34a_100000744943_100000210202 [2,0,0,0,0,0|2,0,0]=4 1069 B11R1.81 CCOc1ccc(cc1Cl)N 7a_100000744943_100000210202 [2,0,0,0,0,0|2,0,0]=4 1070 B11R1.81 CCOc1ccc(cc1F)Br 34a_100000185481_100000210202 [2,0,0,0,0,0|2,0,0]=4 1071 B11R1.81 CCOc1ccc(cc1F)Br 7a_100000185481_100000210202 [2,0,0,0,0,0|2,0,0]=4 1072 B11R1.81 CCOc1ccc(cc1F)C 34a_100011216688_100000210202 [2,0,0,0,0,0|1,0,0]=3 1073 B11R1.81 CCOc1ccc(cc1F)C 7a_100011216688_100000210202 [2,0,0,0,0,0|1,0,0]=3 1074 B11R1.81 CCOc1ccc(cc1F)Cl 34a_100000230166_100000210202 [2,0,0,0,0,0|2,0,0]=4 1075 B11R1.81 CCOc1ccc(cc1F)Cl 7a_100000230166_100000210202 [2,0,0,0,0,0|2,0,0]=4 1076 B11R1.81 CCOc1ccc(cc1F)F 34a_100000230127_100000210202 [2,0,0,0,0,0|2,0,0]=4 1077 B11R1.81 CCOc1ccc(cc1F)F 7a_100000230127_100000210202 [2,0,0,0,0,0|2,0,0]=4 1078 B11R1.81 CCOc1ccc(cc1F)I 34a_100011356965_100000210202 [2,0,0,0,0,0|2,0,0]=4 1079 B11R1.81 CCOc1ccc(cc1F)I 7a_100011356965_100000210202 [2,0,0,0,0,0|2,0,0]=4 1080 B11R1.81 CCOc1ccc(cc1F)N 34a_100011220035_100000210202 [2,0,0,0,0,0|2,0,0]=4 1081 B11R1.81 CCOc1ccc(cc1F)N 7a_100011220035_100000210202 [2,0,0,0,0,0|2,0,0]=4 1082 B11R1.81 CCOc1ccc(cc1F)O 271570a_203496583355_200000171753 [2,0,0,0,0,0|2,0,0]=4 1083 B11R1.81 CCOc1ccc(cc1I)Br 34a_100012355227_100000210202 [2,0,0,0,0,0|2,0,0]=4 1084 B11R1.81 CCOc1ccc(cc1I)Br 7a_100012355227_100000210202 [2,0,0,0,0,0|2,0,0]=4 1085 B11R1.81 CCOc1ccc(cc1I)C 34a_100000765521_100000210202 [2,0,0,0,0,0|1,0,0]=3 1086 B11R1.81 CCOc1ccc(cc1I)C 7a_100000765521_100000210202 [2,0,0,0,0,0|1,0,0]=3 1087 B11R1.81 CCOc1ccc(cc1I)Cl 34a_100011356953_100000210202 [2,0,0,0,0,0|2,0,0]=4 1088 B11R1.81 CCOc1ccc(cc1I)Cl 7a_100011356953_100000210202 [2,0,0,0,0,0|2,0,0]=4 1089 B11R1.81 CCOc1ccc(cc1I)F 34a_100012355409_100000210202 [2,0,0,0,0,0|2,0,0]=4 1090 B11R1.81 CCOc1ccc(cc1I)F 7a_100012355409_100000210202 [2,0,0,0,0,0|2,0,0]=4 1091 B11R1.81 CCOc1ccc(cc1I)I 7a_100010001573_100000210202 [2,0,0,0,0,0|2,0,0]=4 1092 B11R1.81 CCOc1ccc(cc1N)Br 34a_100000752626_100000210202 [2,0,0,0,0,0|2,0,0]=4 1093 B11R1.81 CCOc1ccc(cc1N)Br 7a_100000752626_100000210202 [2,0,0,0,0,0|2,0,0]=4 1094 B11R1.81 CCOc1ccc(cc1N)C 34a_100011215204_100000210202 [2,0,0,0,0,0|1,0,0]=3 1095 B11R1.81 CCOc1ccc(cc1N)C 7a_100011215204_100000210202 [2,0,0,0,0,0|1,0,0]=3 1096 B11R1.81 CCOc1ccc(cc1N)Cl 34a_100000210500_100000210202 [2,0,0,0,0,0|2,0,0]=4 1097 B11R1.81 CCOc1ccc(cc1N)Cl 7a_100000210500_100000210202 [2,0,0,0,0,0|2,0,0]=4 1098 B11R1.81 CCOc1ccc(cc1N)F 34a_100000759472_100000210202 [2,0,0,0,0,0|2,0,0]=4 1099 B11R1.81 CCOc1ccc(cc1N)F 7a_100000759472_100000210202 [2,0,0,0,0,0|2,0,0]=4 1100 B11R1.81 CCOc1ccc(cc1N)I 34a_100000753495_100000210202 [2,0,0,0,0,0|2,0,0]=4 1101 B11R1.81 CCOc1ccc(cc1N)I 7a_100000753495_100000210202 [2,0,0,0,0,0|2,0,0]=4 1102 B11R1.81 CCOc1ccc(cc1N)N 34a_100000725306_100000210202 [2,0,0,0,0,0|2,0,0]=4 1103 B11R1.81 CCOc1ccc(cc1N)O 271570a_203496583355_100000751366 [2,0,0,0,0,0|2,0,0]=4 1104 B11R1.81 CCOc1ccc(cc1O)C 271570a_203496583355_200000230997 [2,0,0,0,0,0|0,0,0]=2 1105 B11R1.81 CCOc1ccc(cc1O)F 271570a_203496583355_100000171695 [2,0,0,0,0,0|1,0,0]=3 1106 B11R1.81 CCOc1ccc(nc1Br)C 34a_100000702858_100000210202 [2,0,0,0,0,0|2,0,0]=4 1107 B11R1.81 CCOc1ccc(nc1Br)C 7a_100000702858_100000210202 [2,0,0,0,0,0|2,0,0]=4 1108 B11R1.81 CCOc1ccc(nc1C)C 34a_100011218912_100000210202 [2,0,0,0,0,0|2,0,0]=4 1109 B11R1.81 CCOc1ccc(nc1C)C 7a_100011218912_100000210202 [2,0,0,0,0,0|2,0,0]=4 1110 B11R1.81 CCOc1ccc(nc1Cl)C 34a_100000086286_100000210202 [2,0,0,0,0,0|2,0,0]=4 1111 B11R1.81 CCOc1ccc(nc1Cl)C 7a_100000086286_100000210202 [2,0,0,0,0,0|2,0,0]=4 1112 B11R1.81 CCOc1ccc(nc1F)C 34a_100000079963_100000210202 [2,0,0,0,0,0|2,0,0]=4 1113 B11R1.81 CCOc1ccc(nc1F)C 7a_100000079963_100000210202 [2,0,0,0,0,0|2,0,0]=4 1114 B11R1.81 CCOc1ccc(nc1I)C 34a_100000023897_100000210202 [2,0,0,0,0,0|2,0,0]=4 1115 B11R1.81 CCOc1ccc(nc1I)C 7a_100000023897_100000210202 [2,0,0,0,0,0|2,0,0]=4 1116 B11R1.81 CCOc1ccc(nc1N)C 34a_100000694039_100000210202 [2,0,0,0,0,0|2,0,0]=4 1117 B11R1.81 CCOc1ccc(nc1N)C 7a_100000694039_100000210202 [2,0,0,0,0,0|2,0,0]=4 1118 B11R1.81 CCOc1cnc(cc1Br)C 34a_100009843476_100000210202 [2,0,0,0,0,0|2,0,0]=4 1119 B11R1.81 CCOc1cnc(cc1Br)C 7a_100009843476_100000210202 [2,0,0,0,0,0|2,0,0]=4 1120 B11R1.81 CCOc1cnc(cc1C)C 34a_200000068632_100000210202 [2,0,0,0,0,0|2,0,0]=4 1121 B11R1.81 CCOc1cnc(cc1C)C 7a_200000068632_100000210202 [2,0,0,0,0,0|2,0,0]=4 1122 B11R1.81 CCOc1coc(cc1=O)C 34a_100000081520_100000210202 [2,0,0,0,0,0|1,0,1]=4 1123 B11R1.81 CCOc1ncc(cc1Br)C 34a_100000719714_100000210202 [2,0,0,0,0,0|2,0,0]=4 1124 B11R1.81 CCOc1ncc(cc1N)C 34a_100012000488_100000210202 [2,0,0,0,0,0|2,0,0]=4 1125 B11R1.81 CCOc1ncc(cc1O)Br 271570a_203496583355_200010177599 [2,0,0,0,0,0|2,0,0]=4 1126 B11R1.81 CCSc1ccc(cc1Br)C 62a_100000210202_100009813563 [2,0,0,0,0,0|1,1,0]=4 1127 B11R1.81 CCSc1ccc(cc1Br)C 62a_100009813563_100000210202 [2,0,0,0,0,0|1,1,0]=4 1128 B11R1.81 CCSc1ccc(cc1C)C 62a_100000210202_100011217332 [2,0,0,0,0,0|1,1,0]=4 1129 B11R1.81 CCSc1ccc(cc1C)C 62a_100011217332_100000210202 [2,0,0,0,0,0|1,1,0]=4 1130 B11R1.81 CCSc1ccc(cc1Cl)C 62a_100000210202_100011263221 [2,0,0,0,0,0|1,1,0]=4 1131 B11R1.81 CCSc1ccc(cc1Cl)C 62a_100011263221_100000210202 [2,0,0,0,0,0|1,1,0]=4 1132 B11R1.81 CCSc1ccc(cc1F)C 62a_100000210202_100011216119 [2,0,0,0,0,0|1,1,0]=4 1133 B11R1.81 CCSc1ccc(cc1F)C 62a_100011216119_100000210202 [2,0,0,0,0,0|1,1,0]=4 1134 B11R1.81 CCSc1ccc(cc1N)C 62a_100000210202_100011216686 [2,0,0,0,0,0|1,1,0]=4 1135 B11R1.81 CCSc1ccc(cc1N)C 62a_100011216686_100000210202 [2,0,0,0,0,0|1,1,0]=4 1136 B11R1.81 CCSc1ccc(cc1O)Br 62a_100000210202_100012344904 [2,0,0,0,0,0|1,1,0]=4 1137 B11R1.81 CCSc1ccc(cc1O)Br 62a_100012344904_100000210202 [2,0,0,0,0,0|1,1,0]=4 1138 B11R1.81 CCSc1ccc(cc1O)C 62a_100000210202_100012002257 [2,0,0,0,0,0|0,1,0]=3 1139 B11R1.81 CCSc1ccc(cc1O)C 62a_100012002257_100000210202 [2,0,0,0,0,0|0,1,0]=3 1140 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000050036_100000210202 [2,0,0,0,0,0|1,1,0]=4 1141 B11R1.81 CCSc1ccc(cc1O)Cl 62a_100000210202_100000050036 [2,0,0,0,0,0|1,1,0]=4 1142 B11R1.81 CCSc1ccc(cc1O)F 62a_100000210202_100000690578 [2,0,0,0,0,0|1,1,0]=4 1143 B11R1.81 CCSc1ccc(cc1O)F 62a_100000690578_100000210202 [2,0,0,0,0,0|1,1,0]=4 1144 B11R1.81 CCSc1ccc(cc1O)O 62a_100000210202_100009813921 [2,0,0,0,0,0|1,1,0]=4 1145 B11R1.81 CCSc1ccc(nc1O)C 62a_100000210202_100009817604 [2,0,0,0,0,0|1,1,0]=4 1146 B11R1.81 CCSc1ccc(nc1O)C 62a_100009817604_100000210202 [2,0,0,0,0,0|1,1,0]=4 1147 B11R1.81 CCSc1cnc(cc1O)C 62a_100000210202_100011016184 [2,0,0,0,0,0|1,1,0]=4 1148 B11R1.81 CCSc1cnc(cc1O)C 62a_100011016184_100000210202 [2,0,0,0,0,0|1,1,0]=4 1149 B11R1.81 CCSc1ncc(cc1O)C 62a_100000210202_100012000487 [2,0,0,0,0,0|1,1,0]=4 1150 B11R1.81 Cc1ccc(c(c1)Br)OCF 34a_100000210800_100015361967 [2,0,0,0,0,0|2,0,0]=4 1151 B11R1.81 Cc1ccc(c(c1)Br)OCF 7a_100000210800_100015361967 [2,0,0,0,0,0|2,0,0]=4 1152 B11R1.81 Cc1ccc(c(c1)C)OCF 34a_100000211776_100015361967 [2,0,0,0,0,0|2,0,0]=4 1153 B11R1.81 Cc1ccc(c(c1)C)OCF 7a_100000211776_100015361967 [2,0,0,0,0,0|2,0,0]=4 1154 B11R1.81 Cc1ccc(c(c1)Cl)OCF 34a_100000749699_100015361967 [2,0,0,0,0,0|2,0,0]=4 1155 B11R1.81 Cc1ccc(c(c1)Cl)OCF 7a_100000749699_100015361967 [2,0,0,0,0,0|2,0,0]=4 1156 B11R1.81 Cc1ccc(c(c1)F)OCF 34a_100011216688_100015361967 [2,0,0,0,0,0|2,0,0]=4 1157 B11R1.81 Cc1ccc(c(c1)F)OCF 7a_100011216688_100015361967 [2,0,0,0,0,0|2,0,0]=4 1158 B11R1.81 Cc1ccc(c(c1)I)OCF 34a_100000765521_100015361967 [2,0,0,0,0,0|2,0,0]=4 1159 B11R1.81 Cc1ccc(c(c1)I)OCF 7a_100000765521_100015361967 [2,0,0,0,0,0|2,0,0]=4 1160 B11R1.81 Cc1ccc(c(c1)N)OCF 34a_100011215204_100015361967 [2,0,0,0,0,0|2,0,0]=4 1161 B11R1.81 Cc1ccc(c(c1)N)OCF 7a_100011215204_100015361967 [2,0,0,0,0,0|2,0,0]=4 1162 B11R1.81 Cc1ccc(c(c1)O)NCF 34a_100000211527_100015361967 [2,0,0,0,0,0|2,0,0]=4 1163 B11R1.81 Cc1ccc(c(c1)O)SCF 62a_100012002257_100015361967 [2,0,0,0,0,0|1,1,0]=4 1164 B11R1.81 Cc1ccc(c(c1)O)SCF 62a_100015361967_100012002257 [2,0,0,0,0,0|1,1,0]=4 1165 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_100016259036_200000210301 [2,0,0,0,0,0|0,1,0]=3 1166 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_200000210301_100016259036 [2,0,0,0,0,0|0,1,0]=3 1167 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_100016259036_200025704644 [2,0,0,0,0,0|0,1,0]=3 1168 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100016259036 [2,0,0,0,0,0|0,1,0]=3 1169 B11R1.83 C=C=Cc1ccc(cc1)CC 271570a_100015277604_100011215824 [2,0,0,0,0,0|0,0,2]=4 1170 B11R1.83 C=C=Cc1ccc(cc1)OC 271570a_100015277604_100000171711 [2,0,0,0,0,0|0,0,2]=4 1171 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [2,0,0,0,0,0|0,0,2]=4 1172 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [2,0,0,0,0,0|0,0,2]=4 1173 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [2,0,0,0,0,0|0,0,2]=4 1174 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [2,0,0,0,0,0|0,0,2]=4 1175 B11R1.83 C=Cc1ccc(cc1)/C=C/C 271570a_100011290941_100016259036 [2,0,0,0,0,0|0,0,2]=4 1176 B11R1.83 C=Cc1ccc(cc1)CCC 271570a_100011290941_100000750032 [2,0,0,0,0,0|1,0,0]=3 1177 B11R1.83 C=Cc1ccc(cc1)CCN 271570a_100011290941_100000755846 [2,0,0,0,0,0|2,0,0]=4 1178 B11R1.83 C=Cc1ccc(cc1)CCO 271570a_100011290941_100000766406 [2,0,0,0,0,0|2,0,0]=4 1179 B11R1.83 C=Cc1ccc(cc1)CNC 2230a_106832991635_100000034074 [2,0,0,0,0,0|2,0,0]=4 1180 B11R1.83 C=Cc1ccc(cc1)CNC 26a_100102657272_100000189437 [2,0,0,0,0,0|2,0,0]=4 1181 B11R1.83 C=Cc1ccc(cc1)CNC 270004a_106832991635_100011361436 [2,0,0,0,0,0|2,0,0]=4 1182 B11R1.83 C=Cc1ccc(cc1)CNC 271570a_100011290941_100000180866 [2,0,0,0,0,0|2,0,0]=4 1183 B11R1.83 C=Cc1ccc(cc1)CNC 34a_100102657272_100000034074 [2,0,0,0,0,0|2,0,0]=4 1184 B11R1.83 C=Cc1ccc(cc1)CNC 34a_200011934891_200000210301 [2,0,0,0,0,0|2,0,0]=4 1185 B11R1.83 C=Cc1ccc(cc1)CNC 7a_106832991635_100000034074 [2,0,0,0,0,0|2,0,0]=4 1186 B11R1.83 C=Cc1ccc(cc1)CN[13CH3] 34a_200011934891_200025704644 [2,0,0,0,0,0|2,0,0]=4 1187 B11R1.83 C=Cc1ccc(cc1)COC 271570a_100011290941_100011493685 [2,0,0,0,0,0|2,0,0]=4 1188 B11R1.83 C=Cc1ccc(cc1)COC 34a_100000073583_200000210301 [2,0,0,0,0,0|2,0,0]=4 1189 B11R1.83 C=Cc1ccc(cc1)COC 34a_100138415774_100000034074 [2,0,0,0,0,0|2,0,0]=4 1190 B11R1.83 C=Cc1ccc(cc1)COC 7a_100000073583_200000210301 [2,0,0,0,0,0|2,0,0]=4 1191 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 34a_100000073583_200025704644 [2,0,0,0,0,0|2,0,0]=4 1192 B11R1.83 C=Cc1ccc(cc1)CO[13CH3] 7a_100000073583_200025704644 [2,0,0,0,0,0|2,0,0]=4 1193 B11R1.83 C=Cc1ccc(cc1)CSC 62a_100000034074_200000210301 [2,0,0,0,0,0|2,0,0]=4 1194 B11R1.83 C=Cc1ccc(cc1)CSC 62a_200000210301_100000034074 [2,0,0,0,0,0|2,0,0]=4 1195 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_100000034074_200025704644 [2,0,0,0,0,0|2,0,0]=4 1196 B11R1.83 C=Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000034074 [2,0,0,0,0,0|2,0,0]=4 1197 B11R1.83 C=Cc1ccc(cc1)NCC 271570a_100011290941_100000219632 [2,0,0,0,0,0|1,0,0]=3 1198 B11R1.83 C=Cc1ccc(cc1)NCC 34a_100011218248_100000210202 [2,0,0,0,0,0|1,0,0]=3 1199 B11R1.83 C=Cc1ccc(cc1)NCF 34a_100011218248_100015361967 [2,0,0,0,0,0|2,0,0]=4 1200 B11R1.83 C=Cc1ccc(cc1)OCC 271570a_100011290941_100000169946 [2,0,0,0,0,0|0,0,0]=2 1201 B11R1.83 C=Cc1ccc(cc1)OCC 34a_100000189437_100000210202 [2,0,0,0,0,0|0,0,0]=2 1202 B11R1.83 C=Cc1ccc(cc1)OCC 7a_100000189437_100000210202 [2,0,0,0,0,0|0,0,0]=2 1203 B11R1.83 C=Cc1ccc(cc1)OCF 34a_100000189437_100015361967 [2,0,0,0,0,0|1,0,0]=3 1204 B11R1.83 C=Cc1ccc(cc1)OCF 7a_100000189437_100015361967 [2,0,0,0,0,0|1,0,0]=3 1205 B11R1.83 C=Cc1ccc(cc1)SCC 271570a_100011290941_200009811893 [2,0,0,0,0,0|0,1,0]=3 1206 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000210202_100000748128 [2,0,0,0,0,0|0,1,0]=3 1207 B11R1.83 C=Cc1ccc(cc1)SCC 62a_100000748128_100000210202 [2,0,0,0,0,0|0,1,0]=3 1208 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100000748128_100015361967 [2,0,0,0,0,0|1,1,0]=4 1209 B11R1.83 C=Cc1ccc(cc1)SCF 62a_100015361967_100000748128 [2,0,0,0,0,0|1,1,0]=4 1210 B11R1.83 C=Cc1ccc(cn1)OCC 271570a_100011290941_100000753957 [2,0,0,0,0,0|1,0,0]=3 1211 B11R1.83 C=Cc1ccc(nc1)NCC 271570a_100011290941_100000741496 [2,0,0,0,0,0|2,0,0]=4 1212 B11R1.83 C=Cc1ccc(nc1)OCC 271570a_100011290941_100011219444 [2,0,0,0,0,0|1,0,0]=3 1213 B11R1.83 C=Cc1ccc(nc1)SCC 271570a_100011290941_100000690189 [2,0,0,0,0,0|1,1,0]=4 1214 B11R1.83 C=Cc1ccc(nc1)SCC 62a_100000210202_103436540071 [2,0,0,0,0,0|1,1,0]=4 1215 B11R1.83 C=Cc1ccc(nc1)SCC 62a_103436540071_100000210202 [2,0,0,0,0,0|1,1,0]=4 1216 B11R1.83 C=Cc1ccc(nn1)OCC 271570a_100011290941_100000757289 [2,0,0,0,0,0|2,0,0]=4 1217 B11R1.83 C=Cc1cnc(cn1)OCC 271570a_100011290941_200012356188 [2,0,0,0,0,0|2,0,0]=4 1218 B11R1.83 C=Cc1cnc(nc1)OCC 271570a_100011290941_100011934766 [2,0,0,0,0,0|2,0,0]=4 1219 B11R1.83 C=Cc1ncc(cn1)OCC 271570a_100011290941_100000099823 [2,0,0,0,0,0|2,0,0]=4 1220 B11R1.83 CC=Cc1ccc(cc1)C#N 271570a_100016259895_100000179745 [2,0,0,0,0,0|1,0,1]=4 1221 B11R1.83 CC=Cc1ccc(cc1)C=O 271570a_100016259895_100000186029 [2,0,0,0,0,0|1,0,1]=4 1222 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [2,0,0,0,0,0|0,0,0]=2 1223 B11R1.83 CC=Cc1ccc(cc1)CF 271570a_100016259895_100010268989 [2,0,0,0,0,0|1,0,0]=3 1224 B11R1.83 CC=Cc1ccc(cc1)CN 271570a_100016259895_100016989417 [2,0,0,0,0,0|1,0,0]=3 1225 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [2,0,0,0,0,0|1,0,0]=3 1226 B11R1.83 CC=Cc1ccc(cc1)NC 271570a_100016259895_100000219623 [2,0,0,0,0,0|1,0,0]=3 1227 B11R1.83 CC=Cc1ccc(cc1)NN 271570a_100016259895_100016988836 [2,0,0,0,0,0|2,0,0]=4 1228 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [2,0,0,0,0,0|0,0,0]=2 1229 B11R1.83 CC=Cc1ccc(cc1)SC 271570a_100016259895_100011263217 [2,0,0,0,0,0|0,1,0]=3 1230 B11R1.83 CC=Cc1ccc(cn1)CC 271570a_100016259895_100009843584 [2,0,0,0,0,0|1,0,0]=3 1231 B11R1.83 CC=Cc1ccc(cn1)CN 271570a_100016259895_100009817727 [2,0,0,0,0,0|2,0,0]=4 1232 B11R1.83 CC=Cc1ccc(cn1)CO 271570a_100016259895_100009816760 [2,0,0,0,0,0|2,0,0]=4 1233 B11R1.83 CC=Cc1ccc(cn1)NC 271570a_100016259895_100000764248 [2,0,0,0,0,0|2,0,0]=4 1234 B11R1.83 CC=Cc1ccc(cn1)OC 271570a_100016259895_100000755202 [2,0,0,0,0,0|1,0,0]=3 1235 B11R1.83 CC=Cc1ccc(cn1)SC 271570a_100016259895_100009820866 [2,0,0,0,0,0|1,1,0]=4 1236 B11R1.83 CC=Cc1ccc(nc1)CC 271570a_100016259895_100009820025 [2,0,0,0,0,0|1,0,0]=3 1237 B11R1.83 CC=Cc1ccc(nc1)CN 271570a_100016259895_100015188789 [2,0,0,0,0,0|2,0,0]=4 1238 B11R1.83 CC=Cc1ccc(nc1)CO 271570a_100016259895_100000754261 [2,0,0,0,0,0|2,0,0]=4 1239 B11R1.83 CC=Cc1ccc(nc1)NC 271570a_100016259895_100000741341 [2,0,0,0,0,0|2,0,0]=4 1240 B11R1.83 CC=Cc1ccc(nc1)OC 271570a_100016259895_100000047065 [2,0,0,0,0,0|1,0,0]=3 1241 B11R1.83 CC=Cc1ccc(nc1)SC 271570a_100016259895_100011408404 [2,0,0,0,0,0|1,1,0]=4 1242 B11R1.83 CC=Cc1ccc(nn1)OC 271570a_100016259895_100009819040 [2,0,0,0,0,0|2,0,0]=4 1243 B11R1.83 CC=Cc1cnc(cn1)OC 271570a_100016259895_100011998698 [2,0,0,0,0,0|2,0,0]=4 1244 B11R1.83 CC=Cc1cnc(nc1)OC 271570a_100016259895_100000686852 [2,0,0,0,0,0|2,0,0]=4 1245 B11R1.83 CC=Cc1ncc(cn1)CC 271570a_100016259895_100000033099 [2,0,0,0,0,0|2,0,0]=4 1246 B11R1.83 CC=Cc1ncc(cn1)OC 271570a_100016259895_100000069167 [2,0,0,0,0,0|2,0,0]=4 1247 B11R1.83 CCCc1ccc(cc1)NC 2230a_100000211780_200000210301 [2,0,0,0,0,0|2,0,0]=4 1248 B11R1.83 CCCc1ccc(cc1)NC 34a_100000211780_200000210301 [2,0,0,0,0,0|2,0,0]=4 1249 B11R1.83 CCCc1ccc(cc1)N[13CH3] 2230a_100000211780_200025704644 [2,0,0,0,0,0|2,0,0]=4 1250 B11R1.83 CCCc1ccc(cc1)N[13CH3] 34a_100000211780_200025704644 [2,0,0,0,0,0|2,0,0]=4 1251 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [2,0,0,0,0,0|0,0,2]=4 1252 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [2,0,0,0,0,0|0,0,2]=4 1253 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [2,0,0,0,0,0|0,0,2]=4 1254 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [2,0,0,0,0,0|0,0,2]=4 1255 B11R1.83 CCCc1ccc(cc1)SC 62a_100000750032_200000210301 [2,0,0,0,0,0|2,0,0]=4 1256 B11R1.83 CCCc1ccc(cc1)SC 62a_200000210301_100000750032 [2,0,0,0,0,0|2,0,0]=4 1257 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_100000750032_200025704644 [2,0,0,0,0,0|2,0,0]=4 1258 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000750032 [2,0,0,0,0,0|2,0,0]=4 1259 B11R1.83 CCNc1ccc(cc1)CC 2230a_100000211069_100000210202 [2,0,0,0,0,0|1,0,1]=4 1260 B11R1.83 CCNc1ccc(cc1)CC 34a_100000211069_100000210202 [2,0,0,0,0,0|1,0,1]=4 1261 B11R1.83 CCNc1ccc(cc1)OC 34a_100000184247_100000210202 [2,0,0,0,0,0|1,0,1]=4 1262 B11R1.83 CCNc1ccc(cc1)OC 34a_100011337800_200000210301 [2,0,0,0,0,0|1,0,1]=4 1263 B11R1.83 CCNc1ccc(cc1)OC 7a_100011337800_200000210301 [2,0,0,0,0,0|1,0,1]=4 1264 B11R1.83 CCNc1ccc(cc1)O[13CH3] 34a_100011337800_200025704644 [2,0,0,0,0,0|1,0,1]=4 1265 B11R1.83 CCNc1ccc(cc1)O[13CH3] 7a_100011337800_200025704644 [2,0,0,0,0,0|1,0,1]=4 1266 B11R1.83 CCNc1ccc(cc1)SC 34a_100000212337_100000210202 [2,0,0,0,0,0|2,0,0]=4 1267 B11R1.83 CCNc1ccc(cc1)SC 62a_200000210301_100000219632 [2,0,0,0,0,0|2,0,0]=4 1268 B11R1.83 CCNc1ccc(cc1)S[13CH3] 62a_200025704644_100000219632 [2,0,0,0,0,0|2,0,0]=4 1269 B11R1.83 CCOc1ccc(cc1)C#N 34a_100000210344_100000210202 [2,0,0,0,0,0|1,0,1]=4 1270 B11R1.83 CCOc1ccc(cc1)C#N 7a_100000210344_100000210202 [2,0,0,0,0,0|1,0,1]=4 1271 B11R1.83 CCOc1ccc(cc1)CC 34a_100000211359_100000210202 [2,0,0,0,0,0|0,0,1]=3 1272 B11R1.83 CCOc1ccc(cc1)CC 7a_100000211359_100000210202 [2,0,0,0,0,0|0,0,1]=3 1273 B11R1.83 CCOc1ccc(cc1)CN 34a_100000185549_100000210202 [2,0,0,0,0,0|1,0,1]=4 1274 B11R1.83 CCOc1ccc(cc1)CO 34a_100000211755_100000210202 [2,0,0,0,0,0|1,0,1]=4 1275 B11R1.83 CCOc1ccc(cc1)NC 2230a_100000739623_200000210301 [2,0,0,0,0,0|1,0,0]=3 1276 B11R1.83 CCOc1ccc(cc1)NC 34a_100000182112_100000210202 [2,0,0,0,0,0|1,0,0]=3 1277 B11R1.83 CCOc1ccc(cc1)NC 34a_100000739623_200000210301 [2,0,0,0,0,0|1,0,0]=3 1278 B11R1.83 CCOc1ccc(cc1)N[13CH3] 2230a_100000739623_200025704644 [2,0,0,0,0,0|1,0,0]=3 1279 B11R1.83 CCOc1ccc(cc1)N[13CH3] 34a_100000739623_200025704644 [2,0,0,0,0,0|1,0,0]=3 1280 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [2,0,0,0,0,0|1,0,0]=3 1281 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [2,0,0,0,0,0|1,0,0]=3 1282 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [2,0,0,0,0,0|1,0,0]=3 1283 B11R1.83 CCOc1ccc(cc1)SC 34a_100000211864_100000210202 [2,0,0,0,0,0|1,0,0]=3 1284 B11R1.83 CCOc1ccc(cc1)SC 62a_200000210301_100000171712 [2,0,0,0,0,0|1,0,0]=3 1285 B11R1.83 CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000171712 [2,0,0,0,0,0|1,0,0]=3 1286 B11R1.83 CCOc1ccc(cn1)OC 34a_100012002028_100000210202 [2,0,0,0,0,0|2,0,0]=4 1287 B11R1.83 CCOc1ccc(cn1)SC 62a_100011219444_200000210301 [2,0,0,0,0,0|2,0,0]=4 1288 B11R1.83 CCOc1ccc(cn1)SC 62a_200000210301_100011219444 [2,0,0,0,0,0|2,0,0]=4 1289 B11R1.83 CCOc1ccc(cn1)S[13CH3] 62a_100011219444_200025704644 [2,0,0,0,0,0|2,0,0]=4 1290 B11R1.83 CCOc1ccc(cn1)S[13CH3] 62a_200025704644_100011219444 [2,0,0,0,0,0|2,0,0]=4 1291 B11R1.83 CCOc1ccc(nc1)OC 34a_100011934560_100000210202 [2,0,0,0,0,0|2,0,0]=4 1292 B11R1.83 CCOc1ccc(nc1)SC 62a_100012355646_200000210301 [2,0,0,0,0,0|2,0,0]=4 1293 B11R1.83 CCOc1ccc(nc1)SC 62a_200000210301_100000753957 [2,0,0,0,0,0|2,0,0]=4 1294 B11R1.83 CCOc1ccc(nc1)S[13CH3] 62a_100012355646_200025704644 [2,0,0,0,0,0|2,0,0]=4 1295 B11R1.83 CCOc1ccc(nc1)S[13CH3] 62a_200025704644_100000753957 [2,0,0,0,0,0|2,0,0]=4 1296 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000188517_100000210202 [2,0,0,0,0,0|1,1,0]=4 1297 B11R1.83 CCSc1ccc(cc1)C=O 62a_100000210202_100000188517 [2,0,0,0,0,0|1,1,0]=4 1298 B11R1.83 CCSc1ccc(cc1)CC 62a_100000210202_100011215824 [2,0,0,0,0,0|0,1,1]=4 1299 B11R1.83 CCSc1ccc(cc1)CC 62a_100011215824_100000210202 [2,0,0,0,0,0|0,1,1]=4 1300 B11R1.83 CCSc1ccc(cc1)NC 34a_100015187087_200000210301 [2,0,0,0,0,0|1,1,0]=4 1301 B11R1.83 CCSc1ccc(cc1)NC 62a_100000210202_100000743151 [2,0,0,0,0,0|1,1,0]=4 1302 B11R1.83 CCSc1ccc(cc1)NC 62a_100000743151_100000210202 [2,0,0,0,0,0|1,1,0]=4 1303 B11R1.83 CCSc1ccc(cc1)N[13CH3] 34a_100015187087_200025704644 [2,0,0,0,0,0|1,1,0]=4 1304 B11R1.83 CCSc1ccc(cc1)OC 62a_100000210202_100000171711 [2,0,0,0,0,0|1,0,1]=4 1305 B11R1.83 CCSc1ccc(cc1)SC 62a_100000210202_100011263217 [2,0,0,0,0,0|1,1,0]=4 1306 B11R1.83 CCSc1ccc(cc1)SC 62a_100011263217_100000210202 [2,0,0,0,0,0|1,1,0]=4 1307 B11R1.83 CCSc1ccc(cc1)SC 62a_200000210301_200009811893 [2,0,0,0,0,0|1,1,0]=4 1308 B11R1.83 CCSc1ccc(cc1)SC 62a_200009811893_200000210301 [2,0,0,0,0,0|1,1,0]=4 1309 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200009811893_200025704644 [2,0,0,0,0,0|1,1,0]=4 1310 B11R1.83 CCSc1ccc(cc1)S[13CH3] 62a_200025704644_200009811893 [2,0,0,0,0,0|1,1,0]=4 1311 B11R1.83 CCc1ccc(cc1)CNC 207a_100102657272_100000211036 [2,0,0,0,0,0|1,0,1]=4 1312 B11R1.83 CCc1ccc(cc1)CNC 2230a_100000721222_200000210301 [2,0,0,0,0,0|1,0,1]=4 1313 B11R1.83 CCc1ccc(cc1)CNC 2230a_106832991635_100000747183 [2,0,0,0,0,0|1,0,1]=4 1314 B11R1.83 CCc1ccc(cc1)CNC 26a_100102657272_100000211359 [2,0,0,0,0,0|1,0,1]=4 1315 B11R1.83 CCc1ccc(cc1)CNC 270004a_106832991635_100000211036 [2,0,0,0,0,0|1,0,1]=4 1316 B11R1.83 CCc1ccc(cc1)CNC 34a_100000721222_200000210301 [2,0,0,0,0,0|1,0,1]=4 1317 B11R1.83 CCc1ccc(cc1)CNC 34a_100102657272_100000747183 [2,0,0,0,0,0|1,0,1]=4 1318 B11R1.83 CCc1ccc(cc1)CNC 7a_106832991635_100000747183 [2,0,0,0,0,0|1,0,1]=4 1319 B11R1.83 CCc1ccc(cc1)CN[13CH3] 2230a_100000721222_200025704644 [2,0,0,0,0,0|1,0,1]=4 1320 B11R1.83 CCc1ccc(cc1)CN[13CH3] 34a_100000721222_200025704644 [2,0,0,0,0,0|1,0,1]=4 1321 B11R1.83 CCc1ccc(cc1)COC 34a_100000702245_200000210301 [2,0,0,0,0,0|1,0,1]=4 1322 B11R1.83 CCc1ccc(cc1)COC 34a_100138415774_100000747183 [2,0,0,0,0,0|1,0,1]=4 1323 B11R1.83 CCc1ccc(cc1)COC 7a_100000702245_200000210301 [2,0,0,0,0,0|1,0,1]=4 1324 B11R1.83 CCc1ccc(cc1)CO[13CH3] 34a_100000702245_200025704644 [2,0,0,0,0,0|1,0,1]=4 1325 B11R1.83 CCc1ccc(cc1)CO[13CH3] 7a_100000702245_200025704644 [2,0,0,0,0,0|1,0,1]=4 1326 B11R1.83 CCc1ccc(cc1)CSC 62a_100000757233_200000210301 [2,0,0,0,0,0|1,0,1]=4 1327 B11R1.83 CCc1ccc(cc1)CSC 62a_200000210301_100000747183 [2,0,0,0,0,0|1,0,1]=4 1328 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_100000757233_200025704644 [2,0,0,0,0,0|1,0,1]=4 1329 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_200025704644_100000747183 [2,0,0,0,0,0|1,0,1]=4 1330 B11R1.83 CCc1ccc(cc1)OCF 34a_100000211359_100015361967 [2,0,0,0,0,0|1,0,1]=4 1331 B11R1.83 CCc1ccc(cc1)OCF 7a_100000211359_100015361967 [2,0,0,0,0,0|1,0,1]=4 1332 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [2,0,0,0,0,0|1,0,1]=4 1333 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [2,0,0,0,0,0|1,0,1]=4 1334 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [2,0,0,0,0,0|1,0,1]=4 1335 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [2,0,0,0,0,0|1,0,1]=4 1336 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [2,0,0,0,0,0|1,0,1]=4 1337 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [2,0,0,0,0,0|1,0,1]=4 1338 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [2,0,0,0,0,0|1,0,1]=4 1339 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [2,0,0,0,0,0|1,0,1]=4 1340 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [2,0,0,0,0,0|1,0,1]=4 1341 B11R1.83 CNc1ccc(cc1)OCF 34a_100000182112_100015361967 [2,0,0,0,0,0|2,0,0]=4 1342 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [2,0,0,0,0,0|1,0,1]=4 1343 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [2,0,0,0,0,0|1,0,1]=4 1344 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [2,0,0,0,0,0|1,0,1]=4 1345 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [2,0,0,0,0,0|1,0,1]=4 1346 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [2,0,0,0,0,0|1,0,1]=4 1347 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [2,0,0,0,0,0|1,0,1]=4 1348 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [2,0,0,0,0,0|1,0,1]=4 1349 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [2,0,0,0,0,0|1,0,1]=4 1350 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [2,0,0,0,0,0|1,0,1]=4 1351 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [2,0,0,0,0,0|1,0,1]=4 1352 B11R1.83 COc1ccc(cc1)OCF 34a_100000210503_100015361967 [2,0,0,0,0,0|2,0,0]=4 1353 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200000210301_200016255901 [2,0,0,0,0,0|1,1,0]=4 1354 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200016255901_200000210301 [2,0,0,0,0,0|1,1,0]=4 1355 B11R1.83 CSc1ccc(cc1)OCF 34a_100000211864_100015361967 [2,0,0,0,0,0|2,0,0]=4 1356 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200016255901_200025704644 [2,0,0,0,0,0|1,1,0]=4 1357 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200025704644_200016255901 [2,0,0,0,0,0|1,1,0]=4 1358 B11R1.279 C=Cc1cc(c(cn1)OC)N 271570a_100011290941_100010896307 [2,0,0,0,0,0|2,0,0]=4 1359 B11R1.279 C=Cc1cc(c(cn1)OC)O 271570a_100011290941_100010264082 [2,0,0,0,0,0|1,0,0]=3 1360 B11R1.279 C=Cc1ccc(c(c1)Br)CO 271570a_100011290941_100010240206 [2,0,0,0,0,0|2,0,0]=4 1361 B11R1.279 C=Cc1ccc(c(c1)Br)OC 271570a_100011290941_100011249507 [2,0,0,0,0,0|1,0,0]=3 1362 B11R1.279 C=Cc1ccc(c(c1)C)CF 271570a_100011290941_200010711859 [2,0,0,0,0,0|2,0,0]=4 1363 B11R1.279 C=Cc1ccc(c(c1)C)CN 271570a_100011290941_100000753881 [2,0,0,0,0,0|2,0,0]=4 1364 B11R1.279 C=Cc1ccc(c(c1)C)CO 271570a_100011290941_100000748258 [2,0,0,0,0,0|2,0,0]=4 1365 B11R1.279 C=Cc1ccc(c(c1)C)NC 271570a_100011290941_100000221803 [2,0,0,0,0,0|2,0,0]=4 1366 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [2,0,0,0,0,0|1,0,0]=3 1367 B11R1.279 C=Cc1ccc(c(c1)Cl)OC 271570a_100011290941_100012355395 [2,0,0,0,0,0|1,0,0]=3 1368 B11R1.279 C=Cc1ccc(c(c1)Cl)SC 271570a_100011290941_206447510565 [2,0,0,0,0,0|1,1,0]=4 1369 B11R1.279 C=Cc1ccc(c(c1)F)CC 271570a_100011290941_200010071577 [2,0,0,0,0,0|1,0,0]=3 1370 B11R1.279 C=Cc1ccc(c(c1)F)CN 271570a_100011290941_100000754580 [2,0,0,0,0,0|2,0,0]=4 1371 B11R1.279 C=Cc1ccc(c(c1)F)CO 271570a_100011290941_100011191541 [2,0,0,0,0,0|2,0,0]=4 1372 B11R1.279 C=Cc1ccc(c(c1)F)NC 271570a_100011290941_100000743884 [2,0,0,0,0,0|2,0,0]=4 1373 B11R1.279 C=Cc1ccc(c(c1)F)OC 271570a_100011290941_100000185480 [2,0,0,0,0,0|1,0,0]=3 1374 B11R1.279 C=Cc1ccc(c(c1)F)SC 271570a_100011290941_100010161220 [2,0,0,0,0,0|1,1,0]=4 1375 B11R1.279 C=Cc1ccc(c(c1)N)CC 271570a_100011290941_100012354963 [2,0,0,0,0,0|1,0,0]=3 1376 B11R1.279 C=Cc1ccc(c(c1)N)CO 271570a_100011290941_100000718831 [2,0,0,0,0,0|2,0,0]=4 1377 B11R1.279 C=Cc1ccc(c(c1)N)NC 271570a_100011290941_100000741790 [2,0,0,0,0,0|2,0,0]=4 1378 B11R1.279 C=Cc1ccc(c(c1)N)OC 271570a_100011290941_100000743470 [2,0,0,0,0,0|1,0,0]=3 1379 B11R1.279 C=Cc1ccc(c(c1)O)C#N 271570a_100011290941_100011934713 [2,0,0,0,0,0|1,0,1]=4 1380 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [2,0,0,0,0,0|1,0,1]=4 1381 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [2,0,0,0,0,0|1,0,0]=3 1382 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [2,0,0,0,0,0|0,0,0]=2 1383 B11R1.279 C=Cc1ccc(c(n1)Br)OC 271570a_100011290941_100010214827 [2,0,0,0,0,0|2,0,0]=4 1384 B11R1.279 C=Cc1ccc(c(n1)C)OC 271570a_100011290941_100010244750 [2,0,0,0,0,0|2,0,0]=4 1385 B11R1.279 C=Cc1ccc(c(n1)Cl)OC 271570a_100011290941_100010233546 [2,0,0,0,0,0|2,0,0]=4 1386 B11R1.279 C=Cc1ccc(c(n1)F)OC 271570a_100011290941_100010138636 [2,0,0,0,0,0|2,0,0]=4 1387 B11R1.279 C=Cc1ccc(c(n1)N)OC 271570a_100011290941_100010192976 [2,0,0,0,0,0|2,0,0]=4 1388 B11R1.279 C=Cc1cnc(c(c1)Br)OC 271570a_100011290941_200010988584 [2,0,0,0,0,0|2,0,0]=4 1389 B11R1.279 C=Cc1cnc(c(c1)C)OC 271570a_100011290941_100011290809 [2,0,0,0,0,0|2,0,0]=4 1390 B11R1.279 C=Cc1cnc(c(c1)F)OC 271570a_100011290941_100011880707 [2,0,0,0,0,0|2,0,0]=4 1391 B11R1.279 C=Cc1cnc(c(c1)N)OC 271570a_100011290941_100000748608 [2,0,0,0,0,0|2,0,0]=4 1392 B11R1.279 C=Cc1cnc(c(c1)O)OC 271570a_100011290941_100010135713 [2,0,0,0,0,0|1,0,0]=3 1393 B11R1.279 CCc1ccc(c(c1)Br)OC 34a_100012339963_200000210301 [2,0,0,0,0,0|1,0,1]=4 1394 B11R1.279 CCc1ccc(c(c1)Br)OC 7a_100012339963_200000210301 [2,0,0,0,0,0|1,0,1]=4 1395 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 34a_100012339963_200025704644 [2,0,0,0,0,0|1,0,1]=4 1396 B11R1.279 CCc1ccc(c(c1)Br)O[13CH3] 7a_100012339963_200025704644 [2,0,0,0,0,0|1,0,1]=4 1397 B11R1.279 CCc1ccc(c(c1)N)OC 34a_100000765835_200000210301 [2,0,0,0,0,0|1,0,1]=4 1398 B11R1.279 CCc1ccc(c(c1)N)OC 7a_100000765835_200000210301 [2,0,0,0,0,0|1,0,1]=4 1399 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 34a_100000765835_200025704644 [2,0,0,0,0,0|1,0,1]=4 1400 B11R1.279 CCc1ccc(c(c1)N)O[13CH3] 7a_100000765835_200025704644 [2,0,0,0,0,0|1,0,1]=4 1401 B11R1.279 CCc1ccc(c(c1)O)NC 34a_100000124328_200000210301 [2,0,0,0,0,0|1,0,1]=4 1402 B11R1.279 CCc1ccc(c(c1)O)N[13CH3] 34a_100000124328_200025704644 [2,0,0,0,0,0|1,0,1]=4 1403 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [2,0,0,0,0,0|0,0,1]=3 1404 B11R1.279 CCc1ccc(cc1Cl)NC 2230a_100000766362_200000210301 [2,0,0,0,0,0|2,0,0]=4 1405 B11R1.279 CCc1ccc(cc1Cl)NC 34a_100000766362_200000210301 [2,0,0,0,0,0|2,0,0]=4 1406 B11R1.279 CCc1ccc(cc1Cl)NC 7a_100000766362_200000210301 [2,0,0,0,0,0|2,0,0]=4 1407 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 2230a_100000766362_200025704644 [2,0,0,0,0,0|2,0,0]=4 1408 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 34a_100000766362_200025704644 [2,0,0,0,0,0|2,0,0]=4 1409 B11R1.279 CCc1ccc(cc1Cl)N[13CH3] 7a_100000766362_200025704644 [2,0,0,0,0,0|2,0,0]=4 1410 B11R1.279 CCc1ccc(cc1Cl)OC 34a_100009886192_200000210301 [2,0,0,0,0,0|2,0,0]=4 1411 B11R1.279 CCc1ccc(cc1Cl)OC 7a_100009886192_200000210301 [2,0,0,0,0,0|2,0,0]=4 1412 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 34a_100009886192_200025704644 [2,0,0,0,0,0|2,0,0]=4 1413 B11R1.279 CCc1ccc(cc1Cl)O[13CH3] 7a_100009886192_200025704644 [2,0,0,0,0,0|2,0,0]=4 1414 B11R1.279 CCc1ccc(cc1F)SC 62a_200000210301_200010071577 [2,0,0,0,0,0|2,0,0]=4 1415 B11R1.279 CCc1ccc(cc1F)SC 62a_200010071577_200000210301 [2,0,0,0,0,0|2,0,0]=4 1416 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200010071577_200025704644 [2,0,0,0,0,0|2,0,0]=4 1417 B11R1.279 CCc1ccc(cc1F)S[13CH3] 62a_200025704644_200010071577 [2,0,0,0,0,0|2,0,0]=4 1418 B11R1.279 CCc1ccc(cc1N)SC 62a_100012354963_200000210301 [2,0,0,0,0,0|2,0,0]=4 1419 B11R1.279 CCc1ccc(cc1N)SC 62a_200000210301_100012354963 [2,0,0,0,0,0|2,0,0]=4 1420 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_100012354963_200025704644 [2,0,0,0,0,0|2,0,0]=4 1421 B11R1.279 CCc1ccc(cc1N)S[13CH3] 62a_200025704644_100012354963 [2,0,0,0,0,0|2,0,0]=4 1422 B11R1.279 CNc1ccc(c(c1)Br)OC 34a_100000187427_200000210301 [2,0,0,0,0,0|2,0,0]=4 1423 B11R1.279 CNc1ccc(c(c1)C)OC 2230a_100000743268_200000210301 [2,0,0,0,0,0|2,0,0]=4 1424 B11R1.279 CNc1ccc(c(c1)C)OC 34a_100000743268_200000210301 [2,0,0,0,0,0|2,0,0]=4 1425 B11R1.279 CNc1ccc(c(c1)C)OC 7a_100000743268_200000210301 [2,0,0,0,0,0|2,0,0]=4 1426 B11R1.279 CNc1ccc(c(c1)Cl)OC 2230a_100000211044_200000210301 [2,0,0,0,0,0|2,0,0]=4 1427 B11R1.279 CNc1ccc(c(c1)Cl)OC 34a_100000211044_200000210301 [2,0,0,0,0,0|2,0,0]=4 1428 B11R1.279 CNc1ccc(c(c1)F)OC 2230a_100000740183_200000210301 [2,0,0,0,0,0|2,0,0]=4 1429 B11R1.279 CNc1ccc(c(c1)F)OC 34a_100000740183_200000210301 [2,0,0,0,0,0|2,0,0]=4 1430 B11R1.279 CNc1ccc(c(c1)I)OC 34a_100011356947_200000210301 [2,0,0,0,0,0|2,0,0]=4 1431 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [2,0,0,0,0,0|1,0,0]=3 1432 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [2,0,0,0,0,0|1,0,0]=3 1433 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [2,0,0,0,0,0|2,0,0]=4 1434 B11R1.279 CNc1ccc(cc1O)OC 34a_100016989039_200000210301 [2,0,0,0,0,0|2,0,0]=4 1435 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100000685887_200000210301 [2,0,0,0,0,0|2,0,0]=4 1436 B11R1.279 COc1ccc(c(c1)Br)OC 34a_100010234764_200000210301 [2,0,0,0,0,0|2,0,0]=4 1437 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100000685887_200000210301 [2,0,0,0,0,0|2,0,0]=4 1438 B11R1.279 COc1ccc(c(c1)Br)OC 7a_100010234764_200000210301 [2,0,0,0,0,0|2,0,0]=4 1439 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 34a_100000685887_200025704644 [2,0,0,0,0,0|2,0,0]=4 1440 B11R1.279 COc1ccc(c(c1)Br)O[13CH3] 7a_100000685887_200025704644 [2,0,0,0,0,0|2,0,0]=4 1441 B11R1.279 COc1ccc(c(c1)C)OC 34a_100000759738_200000210301 [2,0,0,0,0,0|2,0,0]=4 1442 B11R1.279 COc1ccc(c(c1)C)OC 34a_100012002223_200000210301 [2,0,0,0,0,0|2,0,0]=4 1443 B11R1.279 COc1ccc(c(c1)C)OC 7a_100000759738_200000210301 [2,0,0,0,0,0|2,0,0]=4 1444 B11R1.279 COc1ccc(c(c1)C)OC 7a_100012002223_200000210301 [2,0,0,0,0,0|2,0,0]=4 1445 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 34a_100012002223_200025704644 [2,0,0,0,0,0|2,0,0]=4 1446 B11R1.279 COc1ccc(c(c1)C)O[13CH3] 7a_100012002223_200025704644 [2,0,0,0,0,0|2,0,0]=4 1447 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_100000038596_200000210301 [2,0,0,0,0,0|2,0,0]=4 1448 B11R1.279 COc1ccc(c(c1)Cl)OC 34a_200009861682_200000210301 [2,0,0,0,0,0|2,0,0]=4 1449 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_100000038596_200000210301 [2,0,0,0,0,0|2,0,0]=4 1450 B11R1.279 COc1ccc(c(c1)Cl)OC 7a_200009861682_200000210301 [2,0,0,0,0,0|2,0,0]=4 1451 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 34a_100000038596_200025704644 [2,0,0,0,0,0|2,0,0]=4 1452 B11R1.279 COc1ccc(c(c1)Cl)O[13CH3] 7a_100000038596_200025704644 [2,0,0,0,0,0|2,0,0]=4 1453 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000036999_200000210301 [2,0,0,0,0,0|2,0,0]=4 1454 B11R1.279 COc1ccc(c(c1)F)OC 34a_100000746305_200000210301 [2,0,0,0,0,0|2,0,0]=4 1455 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000036999_200000210301 [2,0,0,0,0,0|2,0,0]=4 1456 B11R1.279 COc1ccc(c(c1)F)OC 7a_100000746305_200000210301 [2,0,0,0,0,0|2,0,0]=4 1457 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 34a_100000036999_200025704644 [2,0,0,0,0,0|2,0,0]=4 1458 B11R1.279 COc1ccc(c(c1)F)O[13CH3] 7a_100000036999_200025704644 [2,0,0,0,0,0|2,0,0]=4 1459 B11R1.279 COc1ccc(c(c1)I)OC 34a_100010084122_200000210301 [2,0,0,0,0,0|2,0,0]=4 1460 B11R1.279 COc1ccc(c(c1)I)OC 7a_100010084122_200000210301 [2,0,0,0,0,0|2,0,0]=4 1461 B11R1.279 COc1ccc(c(c1)N)OC 34a_100000188146_200000210301 [2,0,0,0,0,0|2,0,0]=4 1462 B11R1.279 COc1ccc(c(c1)N)O[13CH3] 34a_100000188146_200025704644 [2,0,0,0,0,0|2,0,0]=4 1463 B11R1.279 COc1ccc(c(c1)O)CO 271570a_203496583355_100011982768 [2,0,0,0,0,0|2,0,0]=4 1464 B11R1.279 COc1ccc(c(c1)O)N[13CH3] 34a_100016989039_200025704644 [2,0,0,0,0,0|2,0,0]=4 1465 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [2,0,0,0,0,0|1,0,0]=3 1466 B11R1.279 COc1ccc(c(c1)O)SC 62a_200000210301_100000719091 [2,0,0,0,0,0|1,1,0]=4 1467 B11R1.279 COc1ccc(c(c1)O)S[13CH3] 62a_200025704644_100000719091 [2,0,0,0,0,0|1,1,0]=4 1468 B11R1.279 COc1ccc(cc1Br)N[13CH3] 34a_100000187427_200025704644 [2,0,0,0,0,0|2,0,0]=4 1469 B11R1.279 COc1ccc(cc1Br)O[13CH3] 34a_100010234764_200025704644 [2,0,0,0,0,0|2,0,0]=4 1470 B11R1.279 COc1ccc(cc1Br)O[13CH3] 7a_100010234764_200025704644 [2,0,0,0,0,0|2,0,0]=4 1471 B11R1.279 COc1ccc(cc1Br)SC 62a_100011249507_200000210301 [2,0,0,0,0,0|2,0,0]=4 1472 B11R1.279 COc1ccc(cc1Br)SC 62a_200000210301_100011249507 [2,0,0,0,0,0|2,0,0]=4 1473 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_100011249507_200025704644 [2,0,0,0,0,0|2,0,0]=4 1474 B11R1.279 COc1ccc(cc1Br)S[13CH3] 62a_200025704644_100011249507 [2,0,0,0,0,0|2,0,0]=4 1475 B11R1.279 COc1ccc(cc1C)N[13CH3] 2230a_100000743268_200025704644 [2,0,0,0,0,0|2,0,0]=4 1476 B11R1.279 COc1ccc(cc1C)N[13CH3] 34a_100000743268_200025704644 [2,0,0,0,0,0|2,0,0]=4 1477 B11R1.279 COc1ccc(cc1C)N[13CH3] 7a_100000743268_200025704644 [2,0,0,0,0,0|2,0,0]=4 1478 B11R1.279 COc1ccc(cc1C)O[13CH3] 34a_100000759738_200025704644 [2,0,0,0,0,0|2,0,0]=4 1479 B11R1.279 COc1ccc(cc1C)O[13CH3] 7a_100000759738_200025704644 [2,0,0,0,0,0|2,0,0]=4 1480 B11R1.279 COc1ccc(cc1C)SC 62a_100011219705_200000210301 [2,0,0,0,0,0|2,0,0]=4 1481 B11R1.279 COc1ccc(cc1C)SC 62a_200000210301_100011219705 [2,0,0,0,0,0|2,0,0]=4 1482 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_100011219705_200025704644 [2,0,0,0,0,0|2,0,0]=4 1483 B11R1.279 COc1ccc(cc1C)S[13CH3] 62a_200025704644_100011219705 [2,0,0,0,0,0|2,0,0]=4 1484 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 2230a_100000211044_200025704644 [2,0,0,0,0,0|2,0,0]=4 1485 B11R1.279 COc1ccc(cc1Cl)N[13CH3] 34a_100000211044_200025704644 [2,0,0,0,0,0|2,0,0]=4 1486 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 34a_200009861682_200025704644 [2,0,0,0,0,0|2,0,0]=4 1487 B11R1.279 COc1ccc(cc1Cl)O[13CH3] 7a_200009861682_200025704644 [2,0,0,0,0,0|2,0,0]=4 1488 B11R1.279 COc1ccc(cc1Cl)SC 62a_100012355395_200000210301 [2,0,0,0,0,0|2,0,0]=4 1489 B11R1.279 COc1ccc(cc1Cl)SC 62a_200000210301_100012355395 [2,0,0,0,0,0|2,0,0]=4 1490 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_100012355395_200025704644 [2,0,0,0,0,0|2,0,0]=4 1491 B11R1.279 COc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100012355395 [2,0,0,0,0,0|2,0,0]=4 1492 B11R1.279 COc1ccc(cc1F)N[13CH3] 2230a_100000740183_200025704644 [2,0,0,0,0,0|2,0,0]=4 1493 B11R1.279 COc1ccc(cc1F)N[13CH3] 34a_100000740183_200025704644 [2,0,0,0,0,0|2,0,0]=4 1494 B11R1.279 COc1ccc(cc1F)O[13CH3] 34a_100000746305_200025704644 [2,0,0,0,0,0|2,0,0]=4 1495 B11R1.279 COc1ccc(cc1F)O[13CH3] 7a_100000746305_200025704644 [2,0,0,0,0,0|2,0,0]=4 1496 B11R1.279 COc1ccc(cc1F)SC 62a_100000171752_200000210301 [2,0,0,0,0,0|2,0,0]=4 1497 B11R1.279 COc1ccc(cc1F)SC 62a_200000210301_100000171752 [2,0,0,0,0,0|2,0,0]=4 1498 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_100000171752_200025704644 [2,0,0,0,0,0|2,0,0]=4 1499 B11R1.279 COc1ccc(cc1F)S[13CH3] 62a_200025704644_100000171752 [2,0,0,0,0,0|2,0,0]=4 1500 B11R1.279 COc1ccc(cc1I)N[13CH3] 34a_100011356947_200025704644 [2,0,0,0,0,0|2,0,0]=4 1501 B11R1.279 COc1ccc(cc1I)O[13CH3] 34a_100010084122_200025704644 [2,0,0,0,0,0|2,0,0]=4 1502 B11R1.279 COc1ccc(cc1I)O[13CH3] 7a_100010084122_200025704644 [2,0,0,0,0,0|2,0,0]=4 1503 B11R1.279 COc1ccc(cc1N)SC 62a_100011249504_200000210301 [2,0,0,0,0,0|2,0,0]=4 1504 B11R1.279 COc1ccc(cc1N)SC 62a_200000210301_100011249504 [2,0,0,0,0,0|2,0,0]=4 1505 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_100011249504_200025704644 [2,0,0,0,0,0|2,0,0]=4 1506 B11R1.279 COc1ccc(cc1N)S[13CH3] 62a_200025704644_100011249504 [2,0,0,0,0,0|2,0,0]=4 1507 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [2,0,0,0,0,0|1,0,1]=4 1508 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [2,0,0,0,0,0|1,0,0]=3 1509 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [2,0,0,0,0,0|1,0,1]=4 1510 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [2,0,0,0,0,0|1,0,1]=4 1511 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [2,0,0,0,0,0|1,0,0]=3 1512 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [2,0,0,0,0,0|1,0,0]=3 1513 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [2,0,0,0,0,0|1,0,0]=3 1514 B11R1.279 COc1ccc(nc1O)C=O 271570a_203496583355_100010174741 [2,0,0,0,0,0|2,0,0]=4 1515 B11R1.279 COc1cnc(cc1O)C=O 271570a_203496583355_100010893078 [2,0,0,0,0,0|2,0,0]=4 1516 B11R1.279 COc1cnc(cc1O)SC 62a_200000210301_100010264082 [2,0,0,0,0,0|2,0,0]=4 1517 B11R1.279 COc1cnc(cc1O)S[13CH3] 62a_200025704644_100010264082 [2,0,0,0,0,0|2,0,0]=4 1518 B11R1.279 COc1ncc(cc1O)C=O 271570a_203496583355_200010064893 [2,0,0,0,0,0|2,0,0]=4 1519 B11R1.279 COc1ncc(cc1O)SC 62a_200000210301_100010135713 [2,0,0,0,0,0|2,0,0]=4 1520 B11R1.279 COc1ncc(cc1O)S[13CH3] 62a_200025704644_100010135713 [2,0,0,0,0,0|2,0,0]=4 1521 B11R1.279 CSc1ccc(c(c1)O)CO 62a_100000071718_200000210301 [2,0,0,0,0,0|2,0,0]=4 1522 B11R1.279 CSc1ccc(c(c1)O)CO 62a_200000210301_100000071718 [2,0,0,0,0,0|2,0,0]=4 1523 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [2,0,0,0,0,0|1,1,0]=4 1524 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [2,0,0,0,0,0|1,1,0]=4 1525 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_100000071718_200025704644 [2,0,0,0,0,0|2,0,0]=4 1526 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_200025704644_100000071718 [2,0,0,0,0,0|2,0,0]=4 1527 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [2,0,0,0,0,0|1,1,0]=4 1528 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [2,0,0,0,0,0|1,1,0]=4 1529 B11R1.192 C=C=Cc1ccc(c(c1)O)C 271570a_100015277604_100000766334 [2,0,0,0,0,0|0,0,2]=4 1530 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [2,0,0,0,0,0|0,0,2]=4 1531 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)O 271570a_100016259895_100009814561 [2,0,0,0,0,0|1,0,1]=4 1532 B11R1.192 CC=Cc1cc(c(cn1)C)C 271570a_100016259895_100009850809 [2,0,0,0,0,0|2,0,0]=4 1533 B11R1.192 CC=Cc1cc(c(cn1)C)F 271570a_100016259895_100009841206 [2,0,0,0,0,0|2,0,0]=4 1534 B11R1.192 CC=Cc1cc(c(cn1)C)N 271570a_100016259895_100000690170 [2,0,0,0,0,0|2,0,0]=4 1535 B11R1.192 CC=Cc1cc(c(cn1)C)O 271570a_100016259895_100000704368 [2,0,0,0,0,0|1,0,0]=3 1536 B11R1.192 CC=Cc1cc(c(cn1)F)O 271570a_100016259895_100009854642 [2,0,0,0,0,0|2,0,0]=4 1537 B11R1.192 CC=Cc1cc(c(cn1)O)C 271570a_100016259895_100000692680 [2,0,0,0,0,0|2,0,0]=4 1538 B11R1.192 CC=Cc1cc(c(cn1)O)N 271570a_100016259895_100009819941 [2,0,0,0,0,0|2,0,0]=4 1539 B11R1.192 CC=Cc1ccc([n+](c1)[O-])C 271570a_100016259895_100000703231 [2,0,0,0,0,0|1,0,1]=4 1540 B11R1.192 CC=Cc1ccc(c(c1)Br)Br 271570a_100016259895_100012356285 [2,0,0,0,0,0|2,0,0]=4 1541 B11R1.192 CC=Cc1ccc(c(c1)Br)C 271570a_100016259895_100011847877 [2,0,0,0,0,0|1,0,0]=3 1542 B11R1.192 CC=Cc1ccc(c(c1)Br)Cl 271570a_100016259895_100012353702 [2,0,0,0,0,0|2,0,0]=4 1543 B11R1.192 CC=Cc1ccc(c(c1)Br)F 271570a_100016259895_100012047266 [2,0,0,0,0,0|2,0,0]=4 1544 B11R1.192 CC=Cc1ccc(c(c1)Br)N 271570a_100016259895_100000750455 [2,0,0,0,0,0|2,0,0]=4 1545 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [2,0,0,0,0,0|1,0,0]=3 1546 B11R1.192 CC=Cc1ccc(c(c1)C)Br 271570a_100016259895_100009813585 [2,0,0,0,0,0|2,0,0]=4 1547 B11R1.192 CC=Cc1ccc(c(c1)C)C 271570a_100016259895_100011215607 [2,0,0,0,0,0|1,0,0]=3 1548 B11R1.192 CC=Cc1ccc(c(c1)C)Cl 271570a_100016259895_100000049509 [2,0,0,0,0,0|2,0,0]=4 1549 B11R1.192 CC=Cc1ccc(c(c1)C)F 271570a_100016259895_100011218330 [2,0,0,0,0,0|2,0,0]=4 1550 B11R1.192 CC=Cc1ccc(c(c1)C)N 271570a_100016259895_100000211769 [2,0,0,0,0,0|2,0,0]=4 1551 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [2,0,0,0,0,0|1,0,0]=3 1552 B11R1.192 CC=Cc1ccc(c(c1)Cl)Br 271570a_100016259895_100012047281 [2,0,0,0,0,0|2,0,0]=4 1553 B11R1.192 CC=Cc1ccc(c(c1)Cl)C 271570a_100016259895_100011216363 [2,0,0,0,0,0|1,0,0]=3 1554 B11R1.192 CC=Cc1ccc(c(c1)Cl)Cl 271570a_100016259895_100011214914 [2,0,0,0,0,0|2,0,0]=4 1555 B11R1.192 CC=Cc1ccc(c(c1)Cl)F 271570a_100016259895_100011215976 [2,0,0,0,0,0|2,0,0]=4 1556 B11R1.192 CC=Cc1ccc(c(c1)Cl)N 271570a_100016259895_100011218065 [2,0,0,0,0,0|2,0,0]=4 1557 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [2,0,0,0,0,0|1,0,0]=3 1558 B11R1.192 CC=Cc1ccc(c(c1)F)Br 271570a_100016259895_100000685389 [2,0,0,0,0,0|2,0,0]=4 1559 B11R1.192 CC=Cc1ccc(c(c1)F)C 271570a_100016259895_100000720648 [2,0,0,0,0,0|1,0,0]=3 1560 B11R1.192 CC=Cc1ccc(c(c1)F)Cl 271570a_100016259895_100011216805 [2,0,0,0,0,0|2,0,0]=4 1561 B11R1.192 CC=Cc1ccc(c(c1)F)F 271570a_100016259895_100000750028 [2,0,0,0,0,0|2,0,0]=4 1562 B11R1.192 CC=Cc1ccc(c(c1)F)N 271570a_100016259895_100011215594 [2,0,0,0,0,0|2,0,0]=4 1563 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [2,0,0,0,0,0|1,0,0]=3 1564 B11R1.192 CC=Cc1ccc(c(c1)N)Br 271570a_100016259895_100000750456 [2,0,0,0,0,0|2,0,0]=4 1565 B11R1.192 CC=Cc1ccc(c(c1)N)C 271570a_100016259895_100000761890 [2,0,0,0,0,0|1,0,0]=3 1566 B11R1.192 CC=Cc1ccc(c(c1)N)Cl 271570a_100016259895_200000761891 [2,0,0,0,0,0|2,0,0]=4 1567 B11R1.192 CC=Cc1ccc(c(c1)N)F 271570a_100016259895_100000740924 [2,0,0,0,0,0|2,0,0]=4 1568 B11R1.192 CC=Cc1ccc(c(c1)N)N 271570a_100016259895_100000741789 [2,0,0,0,0,0|2,0,0]=4 1569 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [2,0,0,0,0,0|1,0,0]=3 1570 B11R1.192 CC=Cc1ccc(c(c1)O)Br 271570a_100016259895_100012356990 [2,0,0,0,0,0|1,0,0]=3 1571 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [2,0,0,0,0,0|0,0,0]=2 1572 B11R1.192 CC=Cc1ccc(c(c1)O)Cl 271570a_100016259895_100011356854 [2,0,0,0,0,0|1,0,0]=3 1573 B11R1.192 CC=Cc1ccc(c(c1)O)F 271570a_100016259895_100000686035 [2,0,0,0,0,0|1,0,0]=3 1574 B11R1.192 CC=Cc1ccc(c(c1)O)N 271570a_100016259895_100000739049 [2,0,0,0,0,0|1,0,0]=3 1575 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [2,0,0,0,0,0|0,0,0]=2 1576 B11R1.192 CC=Cc1ccc(c(n1)Br)O 271570a_100016259895_100000725334 [2,0,0,0,0,0|2,0,0]=4 1577 B11R1.192 CC=Cc1ccc(c(n1)C)C 271570a_100016259895_100000103781 [2,0,0,0,0,0|2,0,0]=4 1578 B11R1.192 CC=Cc1ccc(c(n1)C)O 271570a_100016259895_100010233687 [2,0,0,0,0,0|2,0,0]=4 1579 B11R1.192 CC=Cc1ccc(c(n1)Cl)O 271570a_100016259895_100000721234 [2,0,0,0,0,0|2,0,0]=4 1580 B11R1.192 CC=Cc1ccc(c(n1)F)O 271570a_100016259895_100009819667 [2,0,0,0,0,0|2,0,0]=4 1581 B11R1.192 CC=Cc1ccc(c(n1)N)C 271570a_100016259895_100009857032 [2,0,0,0,0,0|2,0,0]=4 1582 B11R1.192 CC=Cc1ccc(c(n1)N)O 271570a_100016259895_100000685527 [2,0,0,0,0,0|2,0,0]=4 1583 B11R1.192 CC=Cc1ccc(c(n1)O)F 271570a_100016259895_100010729010 [2,0,0,0,0,0|2,0,0]=4 1584 B11R1.192 CC=Cc1ccc(c(n1)O)N 271570a_100016259895_100000718904 [2,0,0,0,0,0|2,0,0]=4 1585 B11R1.192 CC=Cc1ccn(c(=O)c1)C 271570a_100016259895_100009820031 [2,0,0,0,0,0|1,0,1]=4 1586 B11R1.192 CC=Cc1cnc(c(c1)C)C 271570a_100016259895_100000697892 [2,0,0,0,0,0|2,0,0]=4 1587 B11R1.192 CC=Cc1cnc(c(c1)C)O 271570a_100016259895_100000685391 [2,0,0,0,0,0|2,0,0]=4 1588 B11R1.192 CC=Cc1cnc(c(c1)Cl)O 271570a_100016259895_100010238531 [2,0,0,0,0,0|2,0,0]=4 1589 B11R1.192 CC=Cc1cnc(c(c1)F)C 271570a_100016259895_100009845756 [2,0,0,0,0,0|2,0,0]=4 1590 B11R1.192 CC=Cc1cnc(c(c1)N)C 271570a_100016259895_100011999542 [2,0,0,0,0,0|2,0,0]=4 1591 B11R1.192 CC=Cc1cnc(c(c1)N)O 271570a_100016259895_100000743729 [2,0,0,0,0,0|2,0,0]=4 1592 B11R1.192 CC=Cc1cnc(c(c1)O)C 271570a_100016259895_100009864810 [2,0,0,0,0,0|1,0,0]=3 1593 B11R1.192 CC=Cc1cnc(c(c1)O)F 271570a_100016259895_100009819871 [2,0,0,0,0,0|2,0,0]=4 1594 B11R1.192 CC=Cc1cnc(c(c1)O)N 271570a_100016259895_100009819042 [2,0,0,0,0,0|2,0,0]=4 1595 B11R1.192 CCNc1ccc(c(c1)O)C 34a_100000759471_100000210202 [2,0,0,0,0,0|1,0,1]=4 1596 B11R1.192 CCNc1ccc(c(c1)O)C 7a_100000759471_100000210202 [2,0,0,0,0,0|1,0,1]=4 1597 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [2,0,0,0,0,0|1,0,1]=4 1598 B11R1.192 CCOc1ccc(c(c1)O)C 271570a_203496583355_100011099959 [2,0,0,0,0,0|1,0,1]=4 1599 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000210202_100000685420 [2,0,0,0,0,0|1,0,1]=4 1600 B11R1.192 CCSc1ccc(c(c1)O)C 62a_100000685420_100000210202 [2,0,0,0,0,0|1,0,1]=4 1601 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [2,0,0,0,0,0|1,0,1]=4 1602 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [2,0,0,0,0,0|1,0,1]=4 1603 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [2,0,0,0,0,0|1,0,1]=4 1604 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [2,0,0,0,0,0|1,0,1]=4 1605 B13R1.75 C=CCOc1ccc(cc1O)C=O 271570a_203496583355_100000173511 [1,1,0,0,0,0|1,0,1]=4 1606 B13R1.75 C=Cc1ccc(c(c1)F)OCOC 271570a_100011290941_100009812708 [1,1,0,0,0,0|1,0,0]=3 1607 B13R1.75 C=Cc1cnc(c(c1)C)OCCC 271570a_100011290941_200012348856 [1,1,0,0,0,0|2,0,0]=4 1608 B13R1.75 CCCCc1ccc(cc1O)C=O 271570a_100020621405_100000041418 [1,1,0,0,0,0|2,0,0]=4 1609 B13R1.75 CCCCc1ccc(cc1O)OC 271570a_100020621405_100000719091 [1,1,0,0,0,0|2,0,0]=4 1610 B13R1.75 CCCNc1ccc(cc1O)CC 34a_100000124328_100000210303 [1,1,0,0,0,0|1,0,1]=4 1611 B13R1.75 CCCNc1ccc(cc1O)OC 34a_100016989039_100000210303 [1,1,0,0,0,0|2,0,0]=4 1612 B13R1.75 CCCOc1ccc(cc1Br)CC 34a_100012339963_100000210303 [1,1,0,0,0,0|1,0,1]=4 1613 B13R1.75 CCCOc1ccc(cc1Br)CC 7a_100012339963_100000210303 [1,1,0,0,0,0|1,0,1]=4 1614 B13R1.75 CCCOc1ccc(cc1Br)OC 34a_100000685887_100000210303 [1,1,0,0,0,0|2,0,0]=4 1615 B13R1.75 CCCOc1ccc(cc1Br)OC 7a_100000685887_100000210303 [1,1,0,0,0,0|2,0,0]=4 1616 B13R1.75 CCCOc1ccc(cc1C)OC 34a_100012002223_100000210303 [1,1,0,0,0,0|2,0,0]=4 1617 B13R1.75 CCCOc1ccc(cc1C)OC 7a_100012002223_100000210303 [1,1,0,0,0,0|2,0,0]=4 1618 B13R1.75 CCCOc1ccc(cc1Cl)NC 34a_100000742593_200000210301 [1,1,0,0,0,0|2,0,0]=4 1619 B13R1.75 CCCOc1ccc(cc1Cl)NC 7a_100000742593_200000210301 [1,1,0,0,0,0|2,0,0]=4 1620 B13R1.75 CCCOc1ccc(cc1Cl)N[13CH3] 34a_100000742593_200025704644 [1,1,0,0,0,0|2,0,0]=4 1621 B13R1.75 CCCOc1ccc(cc1Cl)N[13CH3] 7a_100000742593_200025704644 [1,1,0,0,0,0|2,0,0]=4 1622 B13R1.75 CCCOc1ccc(cc1Cl)OC 34a_100000038596_100000210303 [1,1,0,0,0,0|2,0,0]=4 1623 B13R1.75 CCCOc1ccc(cc1Cl)OC 7a_100000038596_100000210303 [1,1,0,0,0,0|2,0,0]=4 1624 B13R1.75 CCCOc1ccc(cc1F)OC 34a_100000036999_100000210303 [1,1,0,0,0,0|2,0,0]=4 1625 B13R1.75 CCCOc1ccc(cc1F)OC 7a_100000036999_100000210303 [1,1,0,0,0,0|2,0,0]=4 1626 B13R1.75 CCCOc1ccc(cc1N)CC 34a_100000765835_100000210303 [1,1,0,0,0,0|1,0,1]=4 1627 B13R1.75 CCCOc1ccc(cc1N)CC 7a_100000765835_100000210303 [1,1,0,0,0,0|1,0,1]=4 1628 B13R1.75 CCCOc1ccc(cc1N)OC 34a_100000188146_100000210303 [1,1,0,0,0,0|2,0,0]=4 1629 B13R1.75 CCCOc1ccc(cc1O)C=O 271570a_203496583355_100000173362 [1,1,0,0,0,0|1,0,0]=3 1630 B13R1.75 CCCSc1ccc(cc1O)C=O 62a_100000041418_100000210303 [1,1,0,0,0,0|1,1,0]=4 1631 B13R1.75 CCCSc1ccc(cc1O)C=O 62a_100000210303_100000041418 [1,1,0,0,0,0|1,1,0]=4 1632 B13R1.75 CCCSc1ccc(cc1O)OC 62a_100000210303_100000719091 [1,1,0,0,0,0|1,1,0]=4 1633 B13R1.75 CCOCc1ccc(cc1Br)OC 34a_100011982768_100000210202 [1,1,0,0,0,0|2,0,0]=4 1634 B13R1.75 CCOCc1ccc(cc1Br)OC 34a_100121572206_100011982828 [1,1,0,0,0,0|2,0,0]=4 1635 B13R1.75 CCOCc1ccc(cc1Br)OC 7a_100011982768_100000210202 [1,1,0,0,0,0|2,0,0]=4 1636 B13R1.75 CCOCc1ccc(cc1Cl)OC 34a_100011982767_100000210202 [1,1,0,0,0,0|2,0,0]=4 1637 B13R1.75 CCOCc1ccc(cc1Cl)OC 34a_100121572206_200011830453 [1,1,0,0,0,0|2,0,0]=4 1638 B13R1.75 CCOCc1ccc(cc1Cl)OC 7a_100011982767_100000210202 [1,1,0,0,0,0|2,0,0]=4 1639 B13R1.75 CCOCc1ccc(cc1F)OC 34a_100011830421_100000210202 [1,1,0,0,0,0|2,0,0]=4 1640 B13R1.75 CCOCc1ccc(cc1F)OC 34a_100121572206_100011260761 [1,1,0,0,0,0|2,0,0]=4 1641 B13R1.75 CCOCc1ccc(cc1F)OC 7a_100011830421_100000210202 [1,1,0,0,0,0|2,0,0]=4 1642 B13R1.75 CCOCc1ccc(cc1N)OC 34a_100011998734_100000210202 [1,1,0,0,0,0|2,0,0]=4 1643 B13R1.75 CCc1ccc(c(c1)Br)OCCF 34a_100012339963_100011217306 [1,1,0,0,0,0|1,0,1]=4 1644 B13R1.75 CCc1ccc(c(c1)Br)OCCF 7a_100012339963_100011217306 [1,1,0,0,0,0|1,0,1]=4 1645 B13R1.75 CCc1ccc(c(c1)Br)OCCO 34a_100012339963_100000211926 [1,1,0,0,0,0|1,0,1]=4 1646 B13R1.75 CCc1ccc(c(c1)Br)OCCO 7a_100012339963_100000211926 [1,1,0,0,0,0|1,0,1]=4 1647 B13R1.75 CCc1ccc(c(c1)Br)OCSC 34a_100012339963_100011218213 [1,1,0,0,0,0|1,0,1]=4 1648 B13R1.75 CCc1ccc(c(c1)N)OCCF 34a_100000765835_100011217306 [1,1,0,0,0,0|1,0,1]=4 1649 B13R1.75 CCc1ccc(c(c1)N)OCCF 7a_100000765835_100011217306 [1,1,0,0,0,0|1,0,1]=4 1650 B13R1.75 CCc1ccc(c(c1)N)OCCO 34a_100000765835_100000211926 [1,1,0,0,0,0|1,0,1]=4 1651 B13R1.75 CCc1ccc(c(c1)N)OCCO 7a_100000765835_100000211926 [1,1,0,0,0,0|1,0,1]=4 1652 B13R1.75 CCc1ccc(c(c1)N)OCSC 34a_100000765835_100011218213 [1,1,0,0,0,0|1,0,1]=4 1653 B13R1.75 CCc1ccc(c(c1)O)NCCF 34a_100000124328_100011217306 [1,1,0,0,0,0|1,0,1]=4 1654 B13R1.75 CCc1ccc(c(c1)O)NCCO 34a_100000124328_100000211926 [1,1,0,0,0,0|1,0,1]=4 1655 B13R1.75 CCc1ccc(c(c1)O)NCSC 34a_100000124328_100011218213 [1,1,0,0,0,0|1,0,1]=4 1656 B13R1.75 COCOc1ccc(cc1F)SC 62a_100009812708_200000210301 [1,1,0,0,0,0|2,0,0]=4 1657 B13R1.75 COCOc1ccc(cc1F)SC 62a_200000210301_100009812708 [1,1,0,0,0,0|2,0,0]=4 1658 B13R1.75 COCOc1ccc(cc1F)S[13CH3] 62a_100009812708_200025704644 [1,1,0,0,0,0|2,0,0]=4 1659 B13R1.75 COCOc1ccc(cc1F)S[13CH3] 62a_200025704644_100009812708 [1,1,0,0,0,0|2,0,0]=4 1660 B13R1.75 COCOc1ccc(cc1O)C=O 271570a_203496583355_100012265718 [1,1,0,0,0,0|1,0,0]=3 1661 B13R1.75 COCOc1ccc(cc1O)OC 271570a_203496583355_200013022666 [1,1,0,0,0,0|1,0,0]=3 1662 B13R1.75 COCSc1ccc(cc1O)C=O 62a_100000041418_100000766300 [1,1,0,0,0,0|1,1,0]=4 1663 B13R1.75 COCSc1ccc(cc1O)C=O 62a_100000766300_100000041418 [1,1,0,0,0,0|1,1,0]=4 1664 B13R1.75 COCSc1ccc(cc1O)OC 62a_100000766300_100000719091 [1,1,0,0,0,0|1,1,0]=4 1665 B13R1.75 COc1ccc(c(c1)Br)OCCF 34a_100000685887_100011217306 [1,1,0,0,0,0|2,0,0]=4 1666 B13R1.75 COc1ccc(c(c1)Br)OCCF 7a_100000685887_100011217306 [1,1,0,0,0,0|2,0,0]=4 1667 B13R1.75 COc1ccc(c(c1)Br)OCCO 34a_100000685887_100000211926 [1,1,0,0,0,0|2,0,0]=4 1668 B13R1.75 COc1ccc(c(c1)Br)OCCO 7a_100000685887_100000211926 [1,1,0,0,0,0|2,0,0]=4 1669 B13R1.75 COc1ccc(c(c1)Br)OCSC 34a_100000685887_100011218213 [1,1,0,0,0,0|2,0,0]=4 1670 B13R1.75 COc1ccc(c(c1)C)OCCF 34a_100012002223_100011217306 [1,1,0,0,0,0|2,0,0]=4 1671 B13R1.75 COc1ccc(c(c1)C)OCCF 7a_100012002223_100011217306 [1,1,0,0,0,0|2,0,0]=4 1672 B13R1.75 COc1ccc(c(c1)C)OCCO 34a_100012002223_100000211926 [1,1,0,0,0,0|2,0,0]=4 1673 B13R1.75 COc1ccc(c(c1)C)OCCO 7a_100012002223_100000211926 [1,1,0,0,0,0|2,0,0]=4 1674 B13R1.75 COc1ccc(c(c1)C)OCSC 34a_100012002223_100011218213 [1,1,0,0,0,0|2,0,0]=4 1675 B13R1.75 COc1ccc(c(c1)Cl)OCCF 34a_100000038596_100011217306 [1,1,0,0,0,0|2,0,0]=4 1676 B13R1.75 COc1ccc(c(c1)Cl)OCCF 7a_100000038596_100011217306 [1,1,0,0,0,0|2,0,0]=4 1677 B13R1.75 COc1ccc(c(c1)Cl)OCCO 34a_100000038596_100000211926 [1,1,0,0,0,0|2,0,0]=4 1678 B13R1.75 COc1ccc(c(c1)Cl)OCCO 7a_100000038596_100000211926 [1,1,0,0,0,0|2,0,0]=4 1679 B13R1.75 COc1ccc(c(c1)Cl)OCSC 34a_100000038596_100011218213 [1,1,0,0,0,0|2,0,0]=4 1680 B13R1.75 COc1ccc(c(c1)F)OCCF 34a_100000036999_100011217306 [1,1,0,0,0,0|2,0,0]=4 1681 B13R1.75 COc1ccc(c(c1)F)OCCF 7a_100000036999_100011217306 [1,1,0,0,0,0|2,0,0]=4 1682 B13R1.75 COc1ccc(c(c1)F)OCCO 34a_100000036999_100000211926 [1,1,0,0,0,0|2,0,0]=4 1683 B13R1.75 COc1ccc(c(c1)F)OCCO 7a_100000036999_100000211926 [1,1,0,0,0,0|2,0,0]=4 1684 B13R1.75 COc1ccc(c(c1)F)OCSC 34a_100000036999_100011218213 [1,1,0,0,0,0|2,0,0]=4 1685 B13R1.75 COc1ccc(c(c1)N)OCCF 34a_100000188146_100011217306 [1,1,0,0,0,0|2,0,0]=4 1686 B13R1.75 COc1ccc(c(c1)N)OCCO 34a_100000188146_100000211926 [1,1,0,0,0,0|2,0,0]=4 1687 B13R1.75 COc1ccc(c(c1)N)OCSC 34a_100000188146_100011218213 [1,1,0,0,0,0|2,0,0]=4 1688 B13R1.75 COc1ccc(c(c1)O)NCCF 34a_100016989039_100011217306 [1,1,0,0,0,0|2,0,0]=4 1689 B13R1.75 COc1ccc(c(c1)O)NCCO 34a_100016989039_100000211926 [1,1,0,0,0,0|2,0,0]=4 1690 B13R1.75 COc1ccc(c(c1)O)NCSC 34a_100016989039_100011218213 [1,1,0,0,0,0|2,0,0]=4 1691 B13R1.75 COc1ccc(c(c1)O)OCC#N 271570a_203496583355_100012356953 [1,1,0,0,0,0|1,0,1]=4 1692 B13R1.75 COc1ccc(c(c1)O)SCCF 62a_100011217306_100000719091 [1,1,0,0,0,0|1,1,0]=4 1693 B13R1.75 COc1ccc(c(c1)O)SCCO 62a_100000211926_100000719091 [1,1,0,0,0,0|1,1,0]=4 1694 B13R1.75 COc1ccc(c(c1)O)SCSC 62a_100011218213_100000719091 [1,1,0,0,0,0|1,1,0]=4 1695 B13R1.75 CSCSc1ccc(cc1O)C=O 62a_100000041418_100011218213 [1,1,0,0,0,0|1,1,0]=4 1696 B13R1.75 CSCSc1ccc(cc1O)C=O 62a_100011218213_100000041418 [1,1,0,0,0,0|1,1,0]=4 1697 B13R1.75 O=Cc1ccc(c(c1)O)SCCF 62a_100000041418_100011217306 [1,1,0,0,0,0|1,1,0]=4 1698 B13R1.75 O=Cc1ccc(c(c1)O)SCCF 62a_100011217306_100000041418 [1,1,0,0,0,0|1,1,0]=4 1699 B13R1.75 O=Cc1ccc(c(c1)O)SCCO 62a_100000041418_100000211926 [1,1,0,0,0,0|1,1,0]=4 1700 B13R1.75 O=Cc1ccc(c(c1)O)SCCO 62a_100000211926_100000041418 [1,1,0,0,0,0|1,1,0]=4 1701 B13R1.95 C=Cc1ccc(c(c1)C)C(=O)CC 271570a_100011290941_200012361375 [1,1,0,0,0,0|2,0,0]=4 1702 B13R1.95 C=Cc1ccc(c(c1)F)C(=O)CC 271570a_100011290941_100012360378 [1,1,0,0,0,0|2,0,0]=4 1703 B13R1.95 C=Cc1ccc(c(c1)O)C(=O)OC 271570a_100011290941_100000062286 [1,1,0,0,0,0|2,0,0]=4 1704 B13R1.95 CCC(=O)c1ccc(cc1O)OC 1458a_100000212123_100000210202 [1,1,0,0,0,0|2,0,0]=4 1705 B13R1.144 C=C(C)c1ccc(c(c1)C)OCC 271570a_100000694244_100011308936 [1,1,0,0,0,0|1,0,0]=3 1706 B13R1.144 C=C(C)c1ccc(c(c1)F)OCC 271570a_100000694244_200000171753 [1,1,0,0,0,0|1,0,0]=3 1707 B13R1.144 C=C(C)c1ccc(c(c1)N)OCC 271570a_100000694244_100000751366 [1,1,0,0,0,0|1,0,0]=3 1708 B13R1.144 C=C(C)c1cnc(c(c1)C)OCC 271570a_100000694244_100012351028 [1,1,0,0,0,0|2,0,0]=4 1709 B13R1.144 C=C(C)c1cnc(c(c1)N)OCC 271570a_100000694244_100011433076 [1,1,0,0,0,0|2,0,0]=4 1710 B13R1.144 CC(=O)c1ccc(c(c1)Br)OCF 34a_100011772453_100015361967 [1,1,0,0,0,0|2,0,0]=4 1711 B13R1.144 CC(=O)c1ccc(c(c1)Br)OCF 7a_100011772453_100015361967 [1,1,0,0,0,0|2,0,0]=4 1712 B13R1.144 CC(=O)c1ccc(c(c1)C)OCF 34a_100000188726_100015361967 [1,1,0,0,0,0|2,0,0]=4 1713 B13R1.144 CC(=O)c1ccc(c(c1)C)OCF 7a_100000188726_100015361967 [1,1,0,0,0,0|2,0,0]=4 1714 B13R1.144 CC(=O)c1ccc(c(c1)Cl)OCF 34a_100000188625_100015361967 [1,1,0,0,0,0|2,0,0]=4 1715 B13R1.144 CC(=O)c1ccc(c(c1)Cl)OCF 7a_100000188625_100015361967 [1,1,0,0,0,0|2,0,0]=4 1716 B13R1.144 CC(=O)c1ccc(c(c1)F)OCF 34a_100000751691_100015361967 [1,1,0,0,0,0|2,0,0]=4 1717 B13R1.144 CC(=O)c1ccc(c(c1)F)OCF 7a_100000751691_100015361967 [1,1,0,0,0,0|2,0,0]=4 1718 B13R1.144 CC(=O)c1ccc(c(c1)N)OCF 34a_100000117292_100015361967 [1,1,0,0,0,0|2,0,0]=4 1719 B13R1.144 CC(=O)c1ccc(c(c1)N)OCF 7a_100000117292_100015361967 [1,1,0,0,0,0|2,0,0]=4 1720 B13R1.144 CCCc1ccc(cc1Br)C(=O)C 1458a_200010235943_200000210301 [1,1,0,0,0,0|2,0,0]=4 1721 B13R1.144 CCCc1ccc(cc1Br)C(=O)[13CH3] 1458a_200010235943_200025704644 [1,1,0,0,0,0|2,0,0]=4 1722 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 1458a_100000230806_200000210301 [1,1,0,0,0,0|1,0,0]=3 1723 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 34a_100011772453_100000210202 [1,1,0,0,0,0|1,0,0]=3 1724 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 7a_100011772453_100000210202 [1,1,0,0,0,0|1,0,0]=3 1725 B13R1.144 CCOc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000230806_200025704644 [1,1,0,0,0,0|1,0,0]=3 1726 B13R1.144 CCOc1ccc(cc1C)C(=O)C 34a_100000188726_100000210202 [1,1,0,0,0,0|1,0,0]=3 1727 B13R1.144 CCOc1ccc(cc1C)C(=O)C 7a_100000188726_100000210202 [1,1,0,0,0,0|1,0,0]=3 1728 B13R1.144 CCOc1ccc(cc1C)C(C)C 34a_200012180908_100000210202 [1,1,0,0,0,0|1,0,1]=4 1729 B13R1.144 CCOc1ccc(cc1C)C(C)C 7a_200012180908_100000210202 [1,1,0,0,0,0|1,0,1]=4 1730 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 1458a_100000230665_200000210301 [1,1,0,0,0,0|1,0,0]=3 1731 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 34a_100000188625_100000210202 [1,1,0,0,0,0|1,0,0]=3 1732 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 7a_100000188625_100000210202 [1,1,0,0,0,0|1,0,0]=3 1733 B13R1.144 CCOc1ccc(cc1Cl)C(=O)N 34a_200000192832_100000210202 [1,1,0,0,0,0|2,0,0]=4 1734 B13R1.144 CCOc1ccc(cc1Cl)C(=O)N 7a_200000192832_100000210202 [1,1,0,0,0,0|2,0,0]=4 1735 B13R1.144 CCOc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000230665_200025704644 [1,1,0,0,0,0|1,0,0]=3 1736 B13R1.144 CCOc1ccc(cc1Cl)C(C)C 34a_100012182850_100000210202 [1,1,0,0,0,0|1,0,1]=4 1737 B13R1.144 CCOc1ccc(cc1Cl)C(C)C 7a_100012182850_100000210202 [1,1,0,0,0,0|1,0,1]=4 1738 B13R1.144 CCOc1ccc(cc1F)C(=O)C 34a_100000751691_100000210202 [1,1,0,0,0,0|1,0,0]=3 1739 B13R1.144 CCOc1ccc(cc1F)C(=O)C 7a_100000751691_100000210202 [1,1,0,0,0,0|1,0,0]=3 1740 B13R1.144 CCOc1ccc(cc1N)C(=O)C 34a_100000117292_100000210202 [1,1,0,0,0,0|1,0,0]=3 1741 B13R1.144 CCOc1ccc(cc1N)C(=O)C 7a_100000117292_100000210202 [1,1,0,0,0,0|1,0,0]=3 1742 B13R1.144 CCOc1ccc(cc1N)C(C)C 34a_200000187366_100000210202 [1,1,0,0,0,0|1,0,1]=4 1743 B13R1.144 CCOc1ccc(cc1N)C(C)C 7a_200000187366_100000210202 [1,1,0,0,0,0|1,0,1]=4 1744 B13R1.144 CCSc1ccc(cc1Br)C(=O)C 62a_100000210202_100010146554 [1,1,0,0,0,0|1,1,0]=4 1745 B13R1.144 CCSc1ccc(cc1Br)C(=O)C 62a_100010146554_100000210202 [1,1,0,0,0,0|1,1,0]=4 1746 B13R1.144 CCSc1ccc(cc1C)C(=O)C 62a_100000210202_100000697869 [1,1,0,0,0,0|1,1,0]=4 1747 B13R1.144 CCSc1ccc(cc1C)C(=O)C 62a_100000697869_100000210202 [1,1,0,0,0,0|1,1,0]=4 1748 B13R1.144 CCSc1ccc(cc1F)C(=O)C 62a_100000210202_100000690002 [1,1,0,0,0,0|1,1,0]=4 1749 B13R1.144 CCSc1ccc(cc1F)C(=O)C 62a_100000690002_100000210202 [1,1,0,0,0,0|1,1,0]=4 1750 B13R1.144 CCSc1ccc(cc1N)C(=O)C 62a_100009816534_100000210202 [1,1,0,0,0,0|1,1,0]=4 1751 B13R1.144 CCSc1ccc(cc1O)C(=O)N 62a_100000210202_100012344895 [1,1,0,0,0,0|1,1,0]=4 1752 B13R1.144 CCSc1ccc(cc1O)C(=O)N 62a_100012344895_100000210202 [1,1,0,0,0,0|1,1,0]=4 1753 B13R1.653 C=Cc1ccc(c(c1)C)OC(C)C 271570a_100011290941_200011825982 [1,1,0,0,0,0|1,0,0]=3 1754 B13R1.653 C=Cc1ccc(c(c1)C)OC(F)F 271570a_100011290941_100011825985 [1,1,0,0,0,0|2,0,0]=4 1755 B13R1.653 C=Cc1ccc(c(c1)F)OC(=O)C 271570a_100011290941_100009811628 [1,1,0,0,0,0|1,0,1]=4 1756 B13R1.653 C=Cc1ccc(c(c1)F)OC(C)C 271570a_100011290941_100009811877 [1,1,0,0,0,0|1,0,0]=3 1757 B13R1.653 C=Cc1ccc(c(c1)F)OC(F)F 271570a_100011290941_100000728548 [1,1,0,0,0,0|2,0,0]=4 1758 B13R1.653 C=Cc1ccc(c(c1)N)OC(C)C 271570a_100011290941_100000690130 [1,1,0,0,0,0|1,0,0]=3 1759 B13R1.653 C=Cc1ccc(c(c1)N)OC(F)F 271570a_100011290941_100000759289 [1,1,0,0,0,0|2,0,0]=4 1760 B13R1.653 CC(C)Oc1ccc(cc1Br)N[13CH3] 2230a_200000706018_200025704644 [1,1,0,0,0,0|2,0,0]=4 1761 B13R1.653 CC(C)Oc1ccc(cc1Br)N[13CH3] 34a_200000706018_200025704644 [1,1,0,0,0,0|2,0,0]=4 1762 B13R1.653 CC(C)Oc1ccc(cc1Br)N[13CH3] 7a_200000706018_200025704644 [1,1,0,0,0,0|2,0,0]=4 1763 B13R1.653 CC(C)Oc1ccc(cc1Cl)N[13CH3] 2230a_100000737677_200025704644 [1,1,0,0,0,0|2,0,0]=4 1764 B13R1.653 CC(C)Oc1ccc(cc1Cl)N[13CH3] 34a_100000737677_200025704644 [1,1,0,0,0,0|2,0,0]=4 1765 B13R1.653 CC(C)Oc1ccc(cc1Cl)N[13CH3] 7a_100000737677_200025704644 [1,1,0,0,0,0|2,0,0]=4 1766 B13R1.653 CC(C)Oc1ccc(cc1F)S[13CH3] 62a_100009811877_200025704644 [1,1,0,0,0,0|2,0,0]=4 1767 B13R1.653 CC(C)Oc1ccc(cc1F)S[13CH3] 62a_200025704644_100009811877 [1,1,0,0,0,0|2,0,0]=4 1768 B13R1.653 CC(C)Oc1ccc(cc1N)S[13CH3] 62a_100000690130_200025704644 [1,1,0,0,0,0|2,0,0]=4 1769 B13R1.653 CC(C)Oc1ccc(cc1N)S[13CH3] 62a_200025704644_100000690130 [1,1,0,0,0,0|2,0,0]=4 1770 B13R1.653 CC(C)Oc1ccc(cc1O)C=O 271570a_203496583355_200000173091 [1,1,0,0,0,0|1,0,0]=3 1771 B13R1.653 CC(C)Sc1ccc(cc1O)C=O 62a_100000041418_100000210206 [1,1,0,0,0,0|1,1,0]=4 1772 B13R1.653 CC(C)Sc1ccc(cc1O)C=O 62a_100000210206_100000041418 [1,1,0,0,0,0|1,1,0]=4 1773 B13R1.653 CCc1ccc(c(c1)Br)OC(C)C 34a_100012339963_100000210206 [1,1,0,0,0,0|1,0,1]=4 1774 B13R1.653 CCc1ccc(c(c1)Br)OC(C)C 7a_100012339963_100000210206 [1,1,0,0,0,0|1,0,1]=4 1775 B13R1.653 CCc1ccc(c(c1)N)OC(C)C 34a_100000765835_100000210206 [1,1,0,0,0,0|1,0,1]=4 1776 B13R1.653 CCc1ccc(c(c1)N)OC(C)C 7a_100000765835_100000210206 [1,1,0,0,0,0|1,0,1]=4 1777 B13R1.653 CCc1ccc(c(c1)O)NC(C)C 34a_100000124328_100000210206 [1,1,0,0,0,0|1,0,1]=4 1778 B13R1.653 CNc1ccc(c(c1)Br)OC(C)C 2230a_200000706018_200000210301 [1,1,0,0,0,0|2,0,0]=4 1779 B13R1.653 CNc1ccc(c(c1)Br)OC(C)C 34a_200000706018_200000210301 [1,1,0,0,0,0|2,0,0]=4 1780 B13R1.653 CNc1ccc(c(c1)Br)OC(C)C 7a_200000706018_200000210301 [1,1,0,0,0,0|2,0,0]=4 1781 B13R1.653 CNc1ccc(c(c1)Cl)OC(C)C 2230a_100000737677_200000210301 [1,1,0,0,0,0|2,0,0]=4 1782 B13R1.653 CNc1ccc(c(c1)Cl)OC(C)C 34a_100000737677_200000210301 [1,1,0,0,0,0|2,0,0]=4 1783 B13R1.653 CNc1ccc(c(c1)Cl)OC(C)C 7a_100000737677_200000210301 [1,1,0,0,0,0|2,0,0]=4 1784 B13R1.653 COc1ccc(c(c1)Br)OC(C)C 34a_100000685887_100000210206 [1,1,0,0,0,0|2,0,0]=4 1785 B13R1.653 COc1ccc(c(c1)Br)OC(C)C 7a_100000685887_100000210206 [1,1,0,0,0,0|2,0,0]=4 1786 B13R1.653 COc1ccc(c(c1)C)OC(C)C 34a_100012002223_100000210206 [1,1,0,0,0,0|2,0,0]=4 1787 B13R1.653 COc1ccc(c(c1)C)OC(C)C 7a_100012002223_100000210206 [1,1,0,0,0,0|2,0,0]=4 1788 B13R1.653 COc1ccc(c(c1)Cl)OC(C)C 34a_100000038596_100000210206 [1,1,0,0,0,0|2,0,0]=4 1789 B13R1.653 COc1ccc(c(c1)Cl)OC(C)C 7a_100000038596_100000210206 [1,1,0,0,0,0|2,0,0]=4 1790 B13R1.653 COc1ccc(c(c1)F)OC(C)C 34a_100000036999_100000210206 [1,1,0,0,0,0|2,0,0]=4 1791 B13R1.653 COc1ccc(c(c1)F)OC(C)C 7a_100000036999_100000210206 [1,1,0,0,0,0|2,0,0]=4 1792 B13R1.653 COc1ccc(c(c1)N)OC(C)C 34a_100000188146_100000210206 [1,1,0,0,0,0|2,0,0]=4 1793 B13R1.653 COc1ccc(c(c1)O)NC(C)C 34a_100016989039_100000210206 [1,1,0,0,0,0|2,0,0]=4 1794 B13R1.653 COc1ccc(c(c1)O)SC(C)C 62a_100000210206_100000719091 [1,1,0,0,0,0|1,1,0]=4 1795 B13R1.653 CSc1ccc(c(c1)C)OC(C)C 62a_200000210301_200011825982 [1,1,0,0,0,0|2,0,0]=4 1796 B13R1.653 CSc1ccc(c(c1)C)OC(C)C 62a_200011825982_200000210301 [1,1,0,0,0,0|2,0,0]=4 1797 B13R1.653 CSc1ccc(c(c1)F)OC(C)C 62a_100009811877_200000210301 [1,1,0,0,0,0|2,0,0]=4 1798 B13R1.653 CSc1ccc(c(c1)F)OC(C)C 62a_200000210301_100009811877 [1,1,0,0,0,0|2,0,0]=4 1799 B13R1.653 CSc1ccc(c(c1)N)OC(C)C 62a_100000690130_200000210301 [1,1,0,0,0,0|2,0,0]=4 1800 B13R1.653 CSc1ccc(c(c1)N)OC(C)C 62a_200000210301_100000690130 [1,1,0,0,0,0|2,0,0]=4 1801 B13R1.653 Cc1cc(ccc1OC(C)C)S[13CH3] 62a_200011825982_200025704644 [1,1,0,0,0,0|2,0,0]=4 1802 B13R1.653 Cc1cc(ccc1OC(C)C)S[13CH3] 62a_200025704644_200011825982 [1,1,0,0,0,0|2,0,0]=4 1803 B13R1.1249 C=Cc1cc(ccc1OCC)C=O 271570a_100011290941_100000173028 [1,1,0,0,0,0|2,0,0]=4 1804 B13R1.1249 C=Cc1ccc(c(c1)C#N)OCC 271570a_100011290941_100000188824 [1,1,0,0,0,0|1,0,0]=3 1805 B13R1.1249 C=Cc1ccc(c(c1)C=O)OCC 271570a_100011290941_100000170027 [1,1,0,0,0,0|0,0,1]=3 1806 B13R1.1249 C=Cc1ccc(c(c1)CC)OCC 271570a_100011290941_200010070707 [1,1,0,0,0,0|1,0,0]=3 1807 B13R1.1249 C=Cc1ccc(c(c1)OC)CNC 26a_100102657272_100011217988 [1,1,0,0,0,0|2,0,0]=4 1808 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 271570a_100011290941_200012344064 [1,1,0,0,0,0|0,0,0]=2 1809 B13R1.1249 C=Cc1ccc(c(c1)OC)OCC 34a_100011217988_100000210202 [1,1,0,0,0,0|0,0,0]=2 1810 B13R1.1249 C=Cc1ccc(c(c1)OC)OCF 34a_100011217988_100015361967 [1,1,0,0,0,0|1,0,0]=3 1811 B13R1.1249 C=Cc1cnc(c(c1)OC)OCC 271570a_100011290941_200010116856 [1,1,0,0,0,0|1,0,0]=3 1812 B13R1.1249 CCNc1ccc(cc1CO)OC 34a_100012001277_100000210202 [1,1,0,0,0,0|2,0,0]=4 1813 B13R1.1249 CCNc1ccc(cc1OC)OC 2230a_100000211191_100000210202 [1,1,0,0,0,0|2,0,0]=4 1814 B13R1.1249 CCNc1ccc(cc1OC)OC 34a_100000211191_100000210202 [1,1,0,0,0,0|2,0,0]=4 1815 B13R1.1249 CCNc1ccc(cc1OC)SC 2230a_100000766855_100000210202 [1,1,0,0,0,0|2,0,0]=4 1816 B13R1.1249 CCNc1ccc(cc1OC)SC 34a_100000766855_100000210202 [1,1,0,0,0,0|2,0,0]=4 1817 B13R1.1249 CCOc1ccc(cc1C#N)OC 34a_200011934229_100000210202 [1,1,0,0,0,0|2,0,0]=4 1818 B13R1.1249 CCOc1ccc(cc1C#N)OC 7a_200011934229_100000210202 [1,1,0,0,0,0|2,0,0]=4 1819 B13R1.1249 CCOc1ccc(cc1C#N)SC 62a_200000210301_100000188824 [1,1,0,0,0,0|2,0,0]=4 1820 B13R1.1249 CCOc1ccc(cc1C#N)S[13CH3] 62a_200025704644_100000188824 [1,1,0,0,0,0|2,0,0]=4 1821 B13R1.1249 CCOc1ccc(cc1C=O)SC 62a_100000170027_200000210301 [1,1,0,0,0,0|1,0,1]=4 1822 B13R1.1249 CCOc1ccc(cc1C=O)S[13CH3] 62a_100000170027_200025704644 [1,1,0,0,0,0|1,0,1]=4 1823 B13R1.1249 CCOc1ccc(cc1CC)SC 62a_200000210301_200010070707 [1,1,0,0,0,0|2,0,0]=4 1824 B13R1.1249 CCOc1ccc(cc1CC)SC 62a_200010070707_200000210301 [1,1,0,0,0,0|2,0,0]=4 1825 B13R1.1249 CCOc1ccc(cc1CC)S[13CH3] 62a_200010070707_200025704644 [1,1,0,0,0,0|2,0,0]=4 1826 B13R1.1249 CCOc1ccc(cc1CC)S[13CH3] 62a_200025704644_200010070707 [1,1,0,0,0,0|2,0,0]=4 1827 B13R1.1249 CCOc1ccc(cc1OC)C#N 34a_100000184589_100000210202 [1,1,0,0,0,0|1,0,1]=4 1828 B13R1.1249 CCOc1ccc(cc1OC)C#N 7a_100000184589_100000210202 [1,1,0,0,0,0|1,0,1]=4 1829 B13R1.1249 CCOc1ccc(cc1OC)CC 34a_100000186467_100000210202 [1,1,0,0,0,0|0,0,1]=3 1830 B13R1.1249 CCOc1ccc(cc1OC)CC 7a_100000186467_100000210202 [1,1,0,0,0,0|0,0,1]=3 1831 B13R1.1249 CCOc1ccc(cc1OC)CN 34a_100000185554_100000210202 [1,1,0,0,0,0|1,0,1]=4 1832 B13R1.1249 CCOc1ccc(cc1OC)NC 2230a_100000184985_200000210301 [1,1,0,0,0,0|1,0,0]=3 1833 B13R1.1249 CCOc1ccc(cc1OC)NC 34a_100000184985_200000210301 [1,1,0,0,0,0|1,0,0]=3 1834 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 2230a_100000184985_200025704644 [1,1,0,0,0,0|1,0,0]=3 1835 B13R1.1249 CCOc1ccc(cc1OC)N[13CH3] 34a_100000184985_200025704644 [1,1,0,0,0,0|1,0,0]=3 1836 B13R1.1249 CCOc1ccc(cc1OC)OC 34a_100009840267_100000210202 [1,1,0,0,0,0|1,0,0]=3 1837 B13R1.1249 CCOc1ccc(cc1SC)C=O 62a_100000173028_200000210301 [1,1,0,0,0,0|1,1,0]=4 1838 B13R1.1249 CCOc1ccc(cc1SC)C=O 62a_200000210301_100000173028 [1,1,0,0,0,0|1,1,0]=4 1839 B13R1.1249 CCOc1ccc(cc1S[13CH3])C=O 62a_100000173028_200025704644 [1,1,0,0,0,0|1,1,0]=4 1840 B13R1.1249 CCOc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173028 [1,1,0,0,0,0|1,1,0]=4 1841 B13R1.1249 CCOc1ccc(nc1OC)OC 34a_100000085135_100000210202 [1,1,0,0,0,0|2,0,0]=4 1842 B13R1.1249 CCOc1ncc(cc1OC)SC 62a_200000210301_200010116856 [1,1,0,0,0,0|2,0,0]=4 1843 B13R1.1249 CCOc1ncc(cc1OC)S[13CH3] 62a_200025704644_200010116856 [1,1,0,0,0,0|2,0,0]=4 1844 B13R1.1249 CCSc1ccc(cc1CO)C=O 62a_100000210202_100015639582 [1,1,0,0,0,0|1,1,0]=4 1845 B13R1.1249 CCSc1ccc(cc1CO)C=O 62a_100015639582_100000210202 [1,1,0,0,0,0|1,1,0]=4 1846 B13R1.1249 CCSc1ccc(cc1CO)OC 62a_100000210202_200011273942 [1,1,0,0,0,0|1,1,0]=4 1847 B13R1.1249 CCSc1ccc(cc1CO)OC 62a_200011273942_100000210202 [1,1,0,0,0,0|1,1,0]=4 1848 B13R1.1249 CCSc1ccc(cc1OC)C=O 62a_100000210202_100010244714 [1,1,0,0,0,0|1,1,0]=4 1849 B13R1.1249 CCSc1ccc(cc1OC)C=O 62a_100010244714_100000210202 [1,1,0,0,0,0|1,1,0]=4 1850 B13R1.1249 CCSc1ccc(cc1OC)CC 62a_100000210202_200010710389 [1,1,0,0,0,0|0,1,1]=4 1851 B13R1.1249 CCSc1ccc(cc1OC)CC 62a_200010710389_100000210202 [1,1,0,0,0,0|0,1,1]=4 1852 B13R1.1249 CCSc1ccc(cc1OC)OC 62a_100000210202_100000750026 [1,1,0,0,0,0|1,1,0]=4 1853 B13R1.1249 CCSc1ccc(cc1OC)OC 62a_100000750026_100000210202 [1,1,0,0,0,0|1,1,0]=4 1854 B13R1.1249 CCc1ccc(c(c1)OC)OCF 34a_100000186467_100015361967 [1,1,0,0,0,0|1,0,1]=4 1855 B13R1.1249 CCc1ccc(c(c1)OC)OCF 7a_100000186467_100015361967 [1,1,0,0,0,0|1,0,1]=4 1856 B13R1.1249 COc1ccc(c(c1)OC)OCF 34a_100009840267_100015361967 [1,1,0,0,0,0|2,0,0]=4 1857 B13R1.1254 C=Cc1ccc(c(c1F)F)OCC 271570a_100011290941_100010177744 [1,1,0,0,0,0|1,0,0]=3 1858 B13R1.1254 CCOc1ccc(c(c1F)F)NC 2230a_100000061421_200000210301 [1,1,0,0,0,0|2,0,0]=4 1859 B13R1.1254 CCOc1ccc(c(c1F)F)NC 34a_100000061421_200000210301 [1,1,0,0,0,0|2,0,0]=4 1860 B13R1.1254 CCOc1ccc(c(c1F)F)NC 7a_100000061421_200000210301 [1,1,0,0,0,0|2,0,0]=4 1861 B13R1.1254 CCOc1ccc(c(c1F)F)N[13CH3] 2230a_100000061421_200025704644 [1,1,0,0,0,0|2,0,0]=4 1862 B13R1.1254 CCOc1ccc(c(c1F)F)N[13CH3] 34a_100000061421_200025704644 [1,1,0,0,0,0|2,0,0]=4 1863 B13R1.1254 CCOc1ccc(c(c1F)F)N[13CH3] 7a_100000061421_200025704644 [1,1,0,0,0,0|2,0,0]=4 1864 B13R1.1254 CCOc1ccc(c(c1F)F)OC 34a_100000034963_100000210202 [1,1,0,0,0,0|2,0,0]=4 1865 B13R1.1254 CCOc1ccc(c(c1F)F)OC 34a_100000061663_200000210301 [1,1,0,0,0,0|2,0,0]=4 1866 B13R1.1254 CCOc1ccc(c(c1F)F)OC 7a_100000034963_100000210202 [1,1,0,0,0,0|2,0,0]=4 1867 B13R1.1254 CCOc1ccc(c(c1F)F)OC 7a_100000061663_200000210301 [1,1,0,0,0,0|2,0,0]=4 1868 B13R1.1254 CCOc1ccc(c(c1F)F)O[13CH3] 34a_100000061663_200025704644 [1,1,0,0,0,0|2,0,0]=4 1869 B13R1.1254 CCOc1ccc(c(c1F)F)O[13CH3] 7a_100000061663_200025704644 [1,1,0,0,0,0|2,0,0]=4 1870 B13R1.1254 CCOc1ccc(c(c1F)F)SC 62a_100010177744_200000210301 [1,1,0,0,0,0|2,0,0]=4 1871 B13R1.1254 CCOc1ccc(c(c1F)F)SC 62a_200000210301_100010177744 [1,1,0,0,0,0|2,0,0]=4 1872 B13R1.1254 CCOc1ccc(c(c1F)F)S[13CH3] 62a_100010177744_200025704644 [1,1,0,0,0,0|2,0,0]=4 1873 B13R1.1254 CCOc1ccc(c(c1F)F)S[13CH3] 62a_200025704644_100010177744 [1,1,0,0,0,0|2,0,0]=4 1874 B13R1.2901 CCSc1cc(c(cc1O)C=O)O 62a_100000210202_100010888506 [1,1,0,0,0,0|1,1,0]=4 1875 B13R1.3945 C=Cc1cc(c(c(c1)F)OCC)F 271570a_100011290941_200010078527 [1,1,0,0,0,0|1,0,0]=3 1876 B13R1.3945 CCOc1c(cc(cc1Br)NC)Cl 34a_200010126271_200000210301 [1,1,0,0,0,0|2,0,0]=4 1877 B13R1.3945 CCOc1c(cc(cc1Br)NC)Cl 7a_200010126271_200000210301 [1,1,0,0,0,0|2,0,0]=4 1878 B13R1.3945 CCOc1c(cc(cc1Br)N[13CH3])Cl 34a_200010126271_200025704644 [1,1,0,0,0,0|2,0,0]=4 1879 B13R1.3945 CCOc1c(cc(cc1Br)N[13CH3])Cl 7a_200010126271_200025704644 [1,1,0,0,0,0|2,0,0]=4 1880 B13R1.3945 CCOc1c(cc(cc1Br)OC)N 34a_200010008348_100000210202 [1,1,0,0,0,0|2,0,0]=4 1881 B13R1.3945 CCOc1c(cc(cc1C)OC)C 34a_100010658422_100000210202 [1,1,0,0,0,0|2,0,0]=4 1882 B13R1.3945 CCOc1c(cc(cc1C)OC)C 7a_100010658422_100000210202 [1,1,0,0,0,0|2,0,0]=4 1883 B13R1.3945 CCOc1c(cc(cc1F)CC)F 34a_200011105053_100000210202 [1,1,0,0,0,0|1,0,1]=4 1884 B13R1.3945 CCOc1c(cc(cc1F)CC)F 7a_200011105053_100000210202 [1,1,0,0,0,0|1,0,1]=4 1885 B13R1.3945 CCOc1c(cc(cc1F)NC)F 34a_100011396735_200000210301 [1,1,0,0,0,0|2,0,0]=4 1886 B13R1.3945 CCOc1c(cc(cc1F)NC)F 7a_100011396735_200000210301 [1,1,0,0,0,0|2,0,0]=4 1887 B13R1.3945 CCOc1c(cc(cc1F)N[13CH3])F 34a_100011396735_200025704644 [1,1,0,0,0,0|2,0,0]=4 1888 B13R1.3945 CCOc1c(cc(cc1F)N[13CH3])F 7a_100011396735_200025704644 [1,1,0,0,0,0|2,0,0]=4 1889 B13R1.3945 CCOc1c(cc(cc1F)OC)F 34a_100000061417_200000210301 [1,1,0,0,0,0|2,0,0]=4 1890 B13R1.3945 CCOc1c(cc(cc1F)OC)F 34a_100000062060_100000210202 [1,1,0,0,0,0|2,0,0]=4 1891 B13R1.3945 CCOc1c(cc(cc1F)OC)F 7a_100000061417_200000210301 [1,1,0,0,0,0|2,0,0]=4 1892 B13R1.3945 CCOc1c(cc(cc1F)OC)F 7a_100000062060_100000210202 [1,1,0,0,0,0|2,0,0]=4 1893 B13R1.3945 CCOc1c(cc(cc1F)O[13CH3])F 34a_100000061417_200025704644 [1,1,0,0,0,0|2,0,0]=4 1894 B13R1.3945 CCOc1c(cc(cc1F)O[13CH3])F 7a_100000061417_200025704644 [1,1,0,0,0,0|2,0,0]=4 1895 B13R1.3945 CCOc1c(cc(cc1F)SC)F 62a_200000210301_200010078527 [1,1,0,0,0,0|2,0,0]=4 1896 B13R1.3945 CCOc1c(cc(cc1F)SC)F 62a_200010078527_200000210301 [1,1,0,0,0,0|2,0,0]=4 1897 B13R1.3945 CCOc1c(cc(cc1F)S[13CH3])F 62a_200010078527_200025704644 [1,1,0,0,0,0|2,0,0]=4 1898 B13R1.3945 CCOc1c(cc(cc1F)S[13CH3])F 62a_200025704644_200010078527 [1,1,0,0,0,0|2,0,0]=4 1899 B13R1.77 C#CCSc1ccc(cc1)/C=C/C 62a_100000038162_100016259036 [1,1,0,0,0,0|0,1,1]=4 1900 B13R1.77 C/C=C/c1ccc(cc1)CCCC 271570a_100020621405_100016259036 [1,1,0,0,0,0|1,0,0]=3 1901 B13R1.77 C/C=C/c1ccc(cc1)SCC#N 62a_100011215382_100016259036 [1,1,0,0,0,0|0,1,1]=4 1902 B13R1.77 C/C=C/c1ccc(cc1)SCC#N 62a_100016259036_100011215382 [1,1,0,0,0,0|0,1,1]=4 1903 B13R1.77 C/C=C/c1ccc(cc1)SCC=O 62a_100016259036_200015260668 [1,1,0,0,0,0|0,1,1]=4 1904 B13R1.77 C/C=C/c1ccc(cc1)SCC=O 62a_200015260668_100016259036 [1,1,0,0,0,0|0,1,1]=4 1905 B13R1.77 C/C=C/c1ccc(cc1)SCCC 62a_100000210303_100016259036 [1,1,0,0,0,0|0,1,0]=3 1906 B13R1.77 C/C=C/c1ccc(cc1)SCCC 62a_100016259036_100000210303 [1,1,0,0,0,0|0,1,0]=3 1907 B13R1.77 C/C=C/c1ccc(cc1)SCCF 62a_100011217306_100016259036 [1,1,0,0,0,0|0,1,0]=3 1908 B13R1.77 C/C=C/c1ccc(cc1)SCCF 62a_100016259036_100011217306 [1,1,0,0,0,0|0,1,0]=3 1909 B13R1.77 C/C=C/c1ccc(cc1)SCCO 62a_100000211926_100016259036 [1,1,0,0,0,0|0,1,0]=3 1910 B13R1.77 C/C=C/c1ccc(cc1)SCCO 62a_100016259036_100000211926 [1,1,0,0,0,0|0,1,0]=3 1911 B13R1.77 C/C=C/c1ccc(cc1)SCOC 62a_100000766300_100016259036 [1,1,0,0,0,0|0,1,0]=3 1912 B13R1.77 C/C=C/c1ccc(cc1)SCOC 62a_100016259036_100000766300 [1,1,0,0,0,0|0,1,0]=3 1913 B13R1.77 C/C=C/c1ccc(cc1)SCSC 62a_100011218213_100016259036 [1,1,0,0,0,0|0,1,0]=3 1914 B13R1.77 C/C=C/c1ccc(cc1)SCSC 62a_100016259036_100011218213 [1,1,0,0,0,0|0,1,0]=3 1915 B13R1.77 C=C=Cc1ccc(cc1)COCC 271570a_100015277604_100000758564 [1,1,0,0,0,0|0,0,2]=4 1916 B13R1.77 C=C=Cc1ccc(cc1)OCCC 271570a_100015277604_100000169948 [1,1,0,0,0,0|0,0,2]=4 1917 B13R1.77 C=C=Cc1ccc(cc1)OCCF 271570a_100015277604_100012347556 [1,1,0,0,0,0|0,0,2]=4 1918 B13R1.77 C=C=Cc1ccc(cc1)OCCN 271570a_100015277604_100000746992 [1,1,0,0,0,0|0,0,2]=4 1919 B13R1.77 C=C=Cc1ccc(cc1)OCCO 271570a_100015277604_100000686261 [1,1,0,0,0,0|0,0,2]=4 1920 B13R1.77 C=C=Cc1ccc(cc1)OCOC 271570a_100015277604_100012265687 [1,1,0,0,0,0|0,0,2]=4 1921 B13R1.77 C=CCNc1ccc(cc1)OCC 2230a_100000739623_100000210623 [1,1,0,0,0,0|0,0,2]=4 1922 B13R1.77 C=CCNc1ccc(cc1)OCC 34a_100000739623_100015514636 [1,1,0,0,0,0|0,0,2]=4 1923 B13R1.77 C=CCOc1ccc(cc1)C=CC 271570a_100016259895_100000172055 [1,1,0,0,0,0|0,0,1]=3 1924 B13R1.77 C=CCOc1ccc(cc1)OCC 34a_100000185467_100015514636 [1,1,0,0,0,0|0,0,2]=4 1925 B13R1.77 C=CCSc1ccc(cc1)/C=C/C 62a_100000210623_100016259036 [1,1,0,0,0,0|0,1,1]=4 1926 B13R1.77 C=CCSc1ccc(cc1)/C=C/C 62a_100016259036_100000210623 [1,1,0,0,0,0|0,1,1]=4 1927 B13R1.77 C=CCSc1ccc(cc1)OCC 62a_100000210623_100000171712 [1,1,0,0,0,0|0,0,2]=4 1928 B13R1.77 C=CCc1ccc(cc1)OCCC 34a_100000078792_100000210303 [1,1,0,0,0,0|0,0,2]=4 1929 B13R1.77 C=CCc1ccc(cc1)OCCC 7a_100000078792_100000210303 [1,1,0,0,0,0|0,0,2]=4 1930 B13R1.77 C=CCc1ccc(cc1)OCCF 34a_100000078792_100011217306 [1,1,0,0,0,0|0,0,2]=4 1931 B13R1.77 C=CCc1ccc(cc1)OCCF 7a_100000078792_100011217306 [1,1,0,0,0,0|0,0,2]=4 1932 B13R1.77 C=CCc1ccc(cc1)OCCO 34a_100000078792_100000211926 [1,1,0,0,0,0|0,0,2]=4 1933 B13R1.77 C=CCc1ccc(cc1)OCCO 7a_100000078792_100000211926 [1,1,0,0,0,0|0,0,2]=4 1934 B13R1.77 C=CCc1ccc(cc1)OCSC 34a_100000078792_100011218213 [1,1,0,0,0,0|0,0,2]=4 1935 B13R1.77 CC=Cc1ccc(cc1)C#CCO 271570a_100016259895_100009814260 [1,1,0,0,0,0|1,0,1]=4 1936 B13R1.77 CC=Cc1ccc(cc1)C=COC 271570a_100016259895_100020630460 [1,1,0,0,0,0|1,0,1]=4 1937 B13R1.77 CC=Cc1ccc(cc1)CCC#N 271570a_100016259895_100011216407 [1,1,0,0,0,0|1,0,1]=4 1938 B13R1.77 CC=Cc1ccc(cc1)CCC=O 271570a_100016259895_100011361538 [1,1,0,0,0,0|1,0,1]=4 1939 B13R1.77 CC=Cc1ccc(cc1)CCCC 271570a_100016259895_100011215597 [1,1,0,0,0,0|1,0,0]=3 1940 B13R1.77 CC=Cc1ccc(cc1)CCCN 271570a_100016259895_100011297623 [1,1,0,0,0,0|1,0,0]=3 1941 B13R1.77 CC=Cc1ccc(cc1)CCCO 271570a_100016259895_100011709247 [1,1,0,0,0,0|1,0,0]=3 1942 B13R1.77 CC=Cc1ccc(cc1)CCNC 271570a_100016259895_100000752880 [1,1,0,0,0,0|1,0,0]=3 1943 B13R1.77 CC=Cc1ccc(cc1)CCOC 271570a_100016259895_100000739703 [1,1,0,0,0,0|1,0,0]=3 1944 B13R1.77 CC=Cc1ccc(cc1)CNCC 271570a_100016259895_100000187385 [1,1,0,0,0,0|1,0,0]=3 1945 B13R1.77 CC=Cc1ccc(cc1)COCC 271570a_100016259895_100000758564 [1,1,0,0,0,0|0,0,0]=2 1946 B13R1.77 CC=Cc1ccc(cc1)OCC#N 271570a_100016259895_200000169425 [1,1,0,0,0,0|0,0,1]=3 1947 B13R1.77 CC=Cc1ccc(cc1)OCCC 271570a_100016259895_100000169948 [1,1,0,0,0,0|0,0,0]=2 1948 B13R1.77 CC=Cc1ccc(cc1)OCCF 271570a_100016259895_100012347556 [1,1,0,0,0,0|0,0,0]=2 1949 B13R1.77 CC=Cc1ccc(cc1)OCCN 271570a_100016259895_100000746992 [1,1,0,0,0,0|0,0,0]=2 1950 B13R1.77 CC=Cc1ccc(cc1)OCCO 271570a_100016259895_100000686261 [1,1,0,0,0,0|0,0,0]=2 1951 B13R1.77 CC=Cc1ccc(cc1)OCOC 271570a_100016259895_100012265687 [1,1,0,0,0,0|0,0,0]=2 1952 B13R1.77 CC=Cc1ccc(cc1)SCCC 271570a_100016259895_200009811899 [1,1,0,0,0,0|0,1,0]=3 1953 B13R1.77 CC=Cc1ccc(cc1)SCCN 271570a_100016259895_100000184645 [1,1,0,0,0,0|0,1,0]=3 1954 B13R1.77 CC=Cc1ccc(cn1)COCC 271570a_100016259895_100011206209 [1,1,0,0,0,0|1,0,0]=3 1955 B13R1.77 CC=Cc1ccc(cn1)OCCC 271570a_100016259895_100000719977 [1,1,0,0,0,0|1,0,0]=3 1956 B13R1.77 CC=Cc1ccc(cn1)OCCO 271570a_100016259895_200013150534 [1,1,0,0,0,0|1,0,0]=3 1957 B13R1.77 CC=Cc1ccc(cn1)OCOC 271570a_100016259895_100012568617 [1,1,0,0,0,0|1,0,0]=3 1958 B13R1.77 CC=Cc1ccc(nc1)NCCN 271570a_100016259895_200011214600 [1,1,0,0,0,0|2,0,0]=4 1959 B13R1.77 CC=Cc1ccc(nc1)OCCC 271570a_100016259895_100011465619 [1,1,0,0,0,0|1,0,0]=3 1960 B13R1.77 CC=Cc1ccc(nn1)OCCC 271570a_100016259895_200011279913 [1,1,0,0,0,0|2,0,0]=4 1961 B13R1.77 CC=NNc1ccc(cc1)CCC 4a_100015306804_200000210099 [1,1,0,0,0,0|2,0,0]=4 1962 B13R1.77 CC=NNc1ccc(cc1)OCC 4a_100000738955_200000210099 [1,1,0,0,0,0|1,0,0]=3 1963 B13R1.77 CCCCc1ccc(cc1)/C=C/Br 271570a_100020621405_200016255901 [1,1,0,0,0,0|2,0,0]=4 1964 B13R1.77 CCCCc1ccc(cc1)OCC 271570a_100020621405_100000169946 [1,1,0,0,0,0|0,0,2]=4 1965 B13R1.77 CCCCc1ccc(cc1)OCC 34a_100011216022_100000210202 [1,1,0,0,0,0|0,0,2]=4 1966 B13R1.77 CCCCc1ccc(cc1)OCC 7a_100011216022_100000210202 [1,1,0,0,0,0|0,0,2]=4 1967 B13R1.77 CCCNc1ccc(cc1)OCC 2230a_100000739623_100000210303 [1,1,0,0,0,0|0,0,2]=4 1968 B13R1.77 CCCNc1ccc(cc1)OCC 34a_100000739623_100000210303 [1,1,0,0,0,0|0,0,2]=4 1969 B13R1.77 CCCOc1ccc(cc1)CCC 34a_100000749406_100000210303 [1,1,0,0,0,0|0,0,2]=4 1970 B13R1.77 CCCOc1ccc(cc1)CCC 7a_100000749406_100000210303 [1,1,0,0,0,0|0,0,2]=4 1971 B13R1.77 CCCOc1ccc(cc1)CNC 207a_100102657272_100000169838 [1,1,0,0,0,0|1,0,1]=4 1972 B13R1.77 CCCOc1ccc(cc1)CNC 2230a_106832991635_100000691472 [1,1,0,0,0,0|1,0,1]=4 1973 B13R1.77 CCCOc1ccc(cc1)CNC 270004a_106832991635_100000169838 [1,1,0,0,0,0|1,0,1]=4 1974 B13R1.77 CCCOc1ccc(cc1)CNC 34a_100000207500_100000210303 [1,1,0,0,0,0|1,0,1]=4 1975 B13R1.77 CCCOc1ccc(cc1)CNC 34a_100102657272_100000691472 [1,1,0,0,0,0|1,0,1]=4 1976 B13R1.77 CCCOc1ccc(cc1)CNC 7a_106832991635_100000691472 [1,1,0,0,0,0|1,0,1]=4 1977 B13R1.77 CCCOc1ccc(cc1)COC 34a_100000173360_200000210301 [1,1,0,0,0,0|1,0,1]=4 1978 B13R1.77 CCCOc1ccc(cc1)COC 34a_100138415774_100000691472 [1,1,0,0,0,0|1,0,1]=4 1979 B13R1.77 CCCOc1ccc(cc1)COC 34a_200011995677_100000210303 [1,1,0,0,0,0|1,0,1]=4 1980 B13R1.77 CCCOc1ccc(cc1)COC 7a_100000173360_200000210301 [1,1,0,0,0,0|1,0,1]=4 1981 B13R1.77 CCCOc1ccc(cc1)COC 7a_200011995677_100000210303 [1,1,0,0,0,0|1,0,1]=4 1982 B13R1.77 CCCOc1ccc(cc1)CO[13CH3] 34a_100000173360_200025704644 [1,1,0,0,0,0|1,0,1]=4 1983 B13R1.77 CCCOc1ccc(cc1)CO[13CH3] 7a_100000173360_200025704644 [1,1,0,0,0,0|1,0,1]=4 1984 B13R1.77 CCCOc1ccc(cc1)CSC 62a_200000210301_100000691472 [1,1,0,0,0,0|1,0,1]=4 1985 B13R1.77 CCCOc1ccc(cc1)CS[13CH3] 62a_200025704644_100000691472 [1,1,0,0,0,0|1,0,1]=4 1986 B13R1.77 CCCOc1ccc(cc1)NCC 34a_100000748631_100000210202 [1,1,0,0,0,0|1,0,1]=4 1987 B13R1.77 CCCOc1ccc(cc1)NCC 34a_100011337800_100000210303 [1,1,0,0,0,0|1,0,1]=4 1988 B13R1.77 CCCOc1ccc(cc1)NCC 7a_100011337800_100000210303 [1,1,0,0,0,0|1,0,1]=4 1989 B13R1.77 CCCOc1ccc(cc1)OCC 34a_100000185467_100000210303 [1,1,0,0,0,0|0,0,2]=4 1990 B13R1.77 CCCOc1ccc(cc1)OCC 34a_100000185468_100000210202 [1,1,0,0,0,0|0,0,2]=4 1991 B13R1.77 CCCOc1ccc(cc1)OCC 7a_100000185468_100000210202 [1,1,0,0,0,0|0,0,2]=4 1992 B13R1.77 CCCOc1ccc(cc1)SCC 62a_100000169948_100000210202 [1,1,0,0,0,0|1,0,1]=4 1993 B13R1.77 CCCOc1ccc(cc1)SCC 62a_100000210202_100000169948 [1,1,0,0,0,0|1,0,1]=4 1994 B13R1.77 CCCSc1ccc(cc1)/C=C/Br 62a_100000210303_200016255901 [1,1,0,0,0,0|1,1,0]=4 1995 B13R1.77 CCCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000210303 [1,1,0,0,0,0|1,1,0]=4 1996 B13R1.77 CCCSc1ccc(cc1)OCC 62a_100000210303_100000171712 [1,1,0,0,0,0|0,0,2]=4 1997 B13R1.77 CCCc1ccc(cc1)COCC 34a_100121572206_100011982809 [1,1,0,0,0,0|0,0,2]=4 1998 B13R1.77 CCCc1ccc(cc1)OCCF 34a_100000749406_100011217306 [1,1,0,0,0,0|0,0,2]=4 1999 B13R1.77 CCCc1ccc(cc1)OCCF 7a_100000749406_100011217306 [1,1,0,0,0,0|0,0,2]=4 2000 B13R1.77 CCCc1ccc(cc1)OCCO 34a_100000749406_100000211926 [1,1,0,0,0,0|0,0,2]=4 2001 B13R1.77 CCCc1ccc(cc1)OCCO 7a_100000749406_100000211926 [1,1,0,0,0,0|0,0,2]=4 2002 B13R1.77 CCCc1ccc(cc1)OCSC 34a_100000749406_100011218213 [1,1,0,0,0,0|0,0,2]=4 2003 B13R1.77 CCNCc1ccc(cc1)OCC 207a_100015525214_100000169836 [1,1,0,0,0,0|0,0,2]=4 2004 B13R1.77 CCNCc1ccc(cc1)OCC 2230a_100000185588_100000210202 [1,1,0,0,0,0|0,0,2]=4 2005 B13R1.77 CCNCc1ccc(cc1)OCC 270004a_100015525214_100000169836 [1,1,0,0,0,0|0,0,2]=4 2006 B13R1.77 CCNCc1ccc(cc1)OCC 34a_100000185588_100000210202 [1,1,0,0,0,0|0,0,2]=4 2007 B13R1.77 CCNCc1ccc(cc1)OCC 34a_100000748449_100000210202 [1,1,0,0,0,0|0,0,2]=4 2008 B13R1.77 CCNc1ccc(cc1)OCCF 34a_100011337800_100011217306 [1,1,0,0,0,0|1,0,1]=4 2009 B13R1.77 CCNc1ccc(cc1)OCCF 34a_100012282086_100000210202 [1,1,0,0,0,0|1,0,1]=4 2010 B13R1.77 CCNc1ccc(cc1)OCCF 7a_100011337800_100011217306 [1,1,0,0,0,0|1,0,1]=4 2011 B13R1.77 CCNc1ccc(cc1)OCCO 2230a_100000754363_100000210202 [1,1,0,0,0,0|1,0,1]=4 2012 B13R1.77 CCNc1ccc(cc1)OCCO 34a_100000754363_100000210202 [1,1,0,0,0,0|1,0,1]=4 2013 B13R1.77 CCNc1ccc(cc1)OCCO 34a_100011337800_100000211926 [1,1,0,0,0,0|1,0,1]=4 2014 B13R1.77 CCNc1ccc(cc1)OCCO 7a_100011337800_100000211926 [1,1,0,0,0,0|1,0,1]=4 2015 B13R1.77 CCNc1ccc(cc1)OCSC 34a_100011337800_100011218213 [1,1,0,0,0,0|1,0,1]=4 2016 B13R1.77 CCOCc1ccc(cc1)CNC 2230a_100000737407_200000210301 [1,1,0,0,0,0|1,0,1]=4 2017 B13R1.77 CCOCc1ccc(cc1)CNC 34a_100000737407_200000210301 [1,1,0,0,0,0|1,0,1]=4 2018 B13R1.77 CCOCc1ccc(cc1)CN[13CH3] 2230a_100000737407_200025704644 [1,1,0,0,0,0|1,0,1]=4 2019 B13R1.77 CCOCc1ccc(cc1)CN[13CH3] 34a_100000737407_200025704644 [1,1,0,0,0,0|1,0,1]=4 2020 B13R1.77 CCOCc1ccc(cc1)OCC 34a_100000173027_100000210202 [1,1,0,0,0,0|0,0,2]=4 2021 B13R1.77 CCOCc1ccc(cc1)OCC 7a_100000173027_100000210202 [1,1,0,0,0,0|0,0,2]=4 2022 B13R1.77 CCOCc1ccc(cc1)SCC 62a_100000210202_100000758564 [1,1,0,0,0,0|1,0,1]=4 2023 B13R1.77 CCOCc1ccc(cc1)SCC 62a_100000758564_100000210202 [1,1,0,0,0,0|1,0,1]=4 2024 B13R1.77 CCOc1ccc(cc1)CCCO 34a_100011215268_100000210202 [1,1,0,0,0,0|0,0,2]=4 2025 B13R1.77 CCOc1ccc(cc1)CCCO 7a_100011215268_100000210202 [1,1,0,0,0,0|0,0,2]=4 2026 B13R1.77 CCOc1ccc(cc1)CCNC 2230a_100011194255_200000210301 [1,1,0,0,0,0|0,0,2]=4 2027 B13R1.77 CCOc1ccc(cc1)CCNC 34a_100011194255_200000210301 [1,1,0,0,0,0|0,0,2]=4 2028 B13R1.77 CCOc1ccc(cc1)CCNC 34a_100016989440_100000210202 [1,1,0,0,0,0|0,0,2]=4 2029 B13R1.77 CCOc1ccc(cc1)CCN[13CH3] 2230a_100011194255_200025704644 [1,1,0,0,0,0|0,0,2]=4 2030 B13R1.77 CCOc1ccc(cc1)CCN[13CH3] 34a_100011194255_200025704644 [1,1,0,0,0,0|0,0,2]=4 2031 B13R1.77 CCOc1ccc(cc1)CCOC 34a_100000211638_100000210202 [1,1,0,0,0,0|0,0,2]=4 2032 B13R1.77 CCOc1ccc(cc1)CCOC 34a_100011217992_200000210301 [1,1,0,0,0,0|0,0,2]=4 2033 B13R1.77 CCOc1ccc(cc1)CCOC 7a_100000211638_100000210202 [1,1,0,0,0,0|0,0,2]=4 2034 B13R1.77 CCOc1ccc(cc1)CCOC 7a_100011217992_200000210301 [1,1,0,0,0,0|0,0,2]=4 2035 B13R1.77 CCOc1ccc(cc1)CCO[13CH3] 34a_100011217992_200025704644 [1,1,0,0,0,0|0,0,2]=4 2036 B13R1.77 CCOc1ccc(cc1)CCO[13CH3] 7a_100011217992_200025704644 [1,1,0,0,0,0|0,0,2]=4 2037 B13R1.77 CCOc1ccc(cc1)CNCF 34a_100000185588_100015361967 [1,1,0,0,0,0|1,0,1]=4 2038 B13R1.77 CCOc1ccc(cc1)COCF 34a_100000173027_100015361967 [1,1,0,0,0,0|1,0,1]=4 2039 B13R1.77 CCOc1ccc(cc1)COCF 7a_100000173027_100015361967 [1,1,0,0,0,0|1,0,1]=4 2040 B13R1.77 CCOc1ccc(cc1)NCC=O 2230a_100000739623_200015260668 [1,1,0,0,0,0|1,0,1]=4 2041 B13R1.77 CCOc1ccc(cc1)NCC=O 34a_100000739623_200009817547 [1,1,0,0,0,0|1,0,1]=4 2042 B13R1.77 CCOc1ccc(cc1)NCCF 2230a_100000739623_100011217306 [1,1,0,0,0,0|1,0,1]=4 2043 B13R1.77 CCOc1ccc(cc1)NCCF 34a_100000739623_100011217306 [1,1,0,0,0,0|1,0,1]=4 2044 B13R1.77 CCOc1ccc(cc1)NCCO 2230a_100000739623_100000211926 [1,1,0,0,0,0|1,0,1]=4 2045 B13R1.77 CCOc1ccc(cc1)NCCO 34a_100000739623_100000211926 [1,1,0,0,0,0|1,0,1]=4 2046 B13R1.77 CCOc1ccc(cc1)NCOC 2230a_100000739623_100000766300 [1,1,0,0,0,0|1,0,1]=4 2047 B13R1.77 CCOc1ccc(cc1)NCSC 2230a_100000739623_100011218213 [1,1,0,0,0,0|1,0,1]=4 2048 B13R1.77 CCOc1ccc(cc1)NCSC 34a_100000739623_100011218213 [1,1,0,0,0,0|1,0,1]=4 2049 B13R1.77 CCOc1ccc(cc1)OCC=O 34a_100000185467_200009817547 [1,1,0,0,0,0|1,0,1]=4 2050 B13R1.77 CCOc1ccc(cc1)OCCF 34a_100000185467_100011217306 [1,1,0,0,0,0|1,0,1]=4 2051 B13R1.77 CCOc1ccc(cc1)OCCO 34a_100000185467_100000211926 [1,1,0,0,0,0|1,0,1]=4 2052 B13R1.77 CCOc1ccc(cc1)OCOC 34a_200012265912_100000210202 [1,1,0,0,0,0|1,0,1]=4 2053 B13R1.77 CCOc1ccc(cc1)OCSC 34a_100000185467_100011218213 [1,1,0,0,0,0|1,0,1]=4 2054 B13R1.77 CCOc1ccc(cc1)SCC=O 62a_200015260668_100000171712 [1,1,0,0,0,0|1,0,1]=4 2055 B13R1.77 CCOc1ccc(cc1)SCCF 62a_100011217306_100000171712 [1,1,0,0,0,0|1,0,1]=4 2056 B13R1.77 CCOc1ccc(cc1)SCCO 62a_100000211926_100000171712 [1,1,0,0,0,0|1,0,1]=4 2057 B13R1.77 CCOc1ccc(cc1)SCOC 62a_100000766300_100000171712 [1,1,0,0,0,0|1,0,1]=4 2058 B13R1.77 CCOc1ccc(cc1)SCSC 62a_100011218213_100000171712 [1,1,0,0,0,0|1,0,1]=4 2059 B13R1.77 CCSc1ccc(cc1)/C=C/C=O 62a_100000210202_100016291818 [1,1,0,0,0,0|0,1,1]=4 2060 B13R1.77 CCSc1ccc(cc1)/C=C/C=O 62a_100016291818_100000210202 [1,1,0,0,0,0|0,1,1]=4 2061 B13R1.77 CCSc1ccc(cc1)C=COC 62a_100000210202_100020630460 [1,1,0,0,0,0|0,1,0]=3 2062 B13R1.77 CCSc1ccc(cc1)C=COC 62a_100020630460_100000210202 [1,1,0,0,0,0|0,1,0]=3 2063 B13R1.77 CCSc1ccc(cc1)OCCF 62a_100000210202_100012347556 [1,1,0,0,0,0|1,0,1]=4 2064 B13R1.77 CCSc1ccc(cc1)OCCF 62a_100012347556_100000210202 [1,1,0,0,0,0|1,0,1]=4 2065 B13R1.77 CCSc1ccc(cc1)OCCN 62a_100000210202_100000746992 [1,1,0,0,0,0|1,0,1]=4 2066 B13R1.77 CCSc1ccc(cc1)OCCN 62a_100000746992_100000210202 [1,1,0,0,0,0|1,0,1]=4 2067 B13R1.77 CCSc1ccc(cc1)OCCO 62a_100000210202_100000686261 [1,1,0,0,0,0|1,0,1]=4 2068 B13R1.77 CCSc1ccc(cc1)OCCO 62a_100000686261_100000210202 [1,1,0,0,0,0|1,0,1]=4 2069 B13R1.77 CCSc1ccc(cc1)OCOC 62a_100000210202_100012265687 [1,1,0,0,0,0|1,0,1]=4 2070 B13R1.77 CCSc1ccc(cc1)OCOC 62a_100012265687_100000210202 [1,1,0,0,0,0|1,0,1]=4 2071 B13R1.77 CNCc1ccc(cc1)OCCF 34a_100000207500_100011217306 [1,1,0,0,0,0|1,0,1]=4 2072 B13R1.77 CNCc1ccc(cc1)OCCO 207a_100102657272_100011219967 [1,1,0,0,0,0|1,0,1]=4 2073 B13R1.77 CNCc1ccc(cc1)OCCO 270004a_106832991635_100011219967 [1,1,0,0,0,0|1,0,1]=4 2074 B13R1.77 CNCc1ccc(cc1)OCCO 34a_100000207500_100000211926 [1,1,0,0,0,0|1,0,1]=4 2075 B13R1.77 CNCc1ccc(cc1)OCSC 34a_100000207500_100011218213 [1,1,0,0,0,0|1,0,1]=4 2076 B13R1.77 COC=Cc1ccc(cc1)SCF 62a_100015361967_100020630460 [1,1,0,0,0,0|1,1,0]=4 2077 B13R1.77 COC=Cc1ccc(cc1)SCF 62a_100020630460_100015361967 [1,1,0,0,0,0|1,1,0]=4 2078 B13R1.77 COCSc1ccc(cc1)/C=C/Br 62a_100000766300_200016255901 [1,1,0,0,0,0|1,1,0]=4 2079 B13R1.77 COCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000766300 [1,1,0,0,0,0|1,1,0]=4 2080 B13R1.77 COCc1ccc(cc1)OCCF 34a_200011995677_100011217306 [1,1,0,0,0,0|1,0,1]=4 2081 B13R1.77 COCc1ccc(cc1)OCCF 7a_200011995677_100011217306 [1,1,0,0,0,0|1,0,1]=4 2082 B13R1.77 COCc1ccc(cc1)OCCO 34a_200011995677_100000211926 [1,1,0,0,0,0|1,0,1]=4 2083 B13R1.77 COCc1ccc(cc1)OCCO 7a_200011995677_100000211926 [1,1,0,0,0,0|1,0,1]=4 2084 B13R1.77 COCc1ccc(cc1)OCSC 34a_200011995677_100011218213 [1,1,0,0,0,0|1,0,1]=4 2085 B13R1.77 CSCSc1ccc(cc1)/C=C/Br 62a_100011218213_200016255901 [1,1,0,0,0,0|1,1,0]=4 2086 B13R1.77 CSCSc1ccc(cc1)/C=C/Br 62a_200016255901_100011218213 [1,1,0,0,0,0|1,1,0]=4 2087 B13R1.77 FCCSc1ccc(cc1)/C=C/Br 62a_100011217306_200016255901 [1,1,0,0,0,0|1,1,0]=4 2088 B13R1.77 FCCSc1ccc(cc1)/C=C/Br 62a_200016255901_100011217306 [1,1,0,0,0,0|1,1,0]=4 2089 B13R1.77 OCCSc1ccc(cc1)/C=C/Br 62a_100000211926_200016255901 [1,1,0,0,0,0|1,1,0]=4 2090 B13R1.77 OCCSc1ccc(cc1)/C=C/Br 62a_200016255901_100000211926 [1,1,0,0,0,0|1,1,0]=4 2091 B13R1.139 CC=Cc1ccc(cc1)C(=O)CC 271570a_100016259895_100000211647 [1,1,0,0,0,0|1,0,0]=3 2092 B13R1.139 CC=Cc1ccc(cc1)C(=O)CN 271570a_100016259895_100000017248 [1,1,0,0,0,0|2,0,0]=4 2093 B13R1.139 CC=Cc1ccc(cc1)C(=O)CO 271570a_100016259895_100011219529 [1,1,0,0,0,0|2,0,0]=4 2094 B13R1.139 CC=Cc1ccc(cc1)C(=O)NC 271570a_100016259895_100000155074 [1,1,0,0,0,0|2,0,0]=4 2095 B13R1.139 CC=Cc1ccc(cc1)C(=O)OC 271570a_100016259895_100000150774 [1,1,0,0,0,0|2,0,0]=4 2096 B13R1.139 CC=Cc1ccc(cc1)C(C)CC 271570a_100016259895_100011221364 [1,1,0,0,0,0|1,0,0]=3 2097 B13R1.139 CC=Cc1ccc(cc1)C(C)NC 271570a_100016259895_100000231103 [1,1,0,0,0,0|2,0,0]=4 2098 B13R1.139 CC=Cc1ccc(cc1)C(C)OC 271570a_100016259895_100010254937 [1,1,0,0,0,0|2,0,0]=4 2099 B13R1.139 CC=Cc1ccc(cc1)C(N)CO 271570a_100016259895_100000734186 [1,1,0,0,0,0|2,0,0]=4 2100 B13R1.139 CC=Cc1ccc(cc1)C(O)CC 271570a_100016259895_100000246506 [1,1,0,0,0,0|1,0,0]=3 2101 B13R1.139 CC=Cc1ccc(cc1)C(O)CN 271570a_100016259895_100020626992 [1,1,0,0,0,0|2,0,0]=4 2102 B13R1.139 CC=Cc1ccc(cc1)C(O)CO 271570a_100016259895_200012355997 [1,1,0,0,0,0|2,0,0]=4 2103 B13R1.139 CC=Cc1ccc(cc1)[C@@H](N)CC 271570a_100016259895_100025736560 [1,1,0,0,0,0|1,0,0]=3 2104 B13R1.139 CC=Cc1ccc(nc1)C(=O)CC 271570a_100016259895_100012351654 [1,1,0,0,0,0|2,0,0]=4 2105 B13R1.139 CCC(=O)c1ccc(cc1)OCF 34a_100000212119_100015361967 [1,1,0,0,0,0|1,0,1]=4 2106 B13R1.139 CCC(=O)c1ccc(cc1)OCF 7a_100000212119_100015361967 [1,1,0,0,0,0|1,0,1]=4 2107 B13R1.139 CCCc1ccc(cc1)C(=O)CC 1458a_100011207308_100000210202 [1,1,0,0,0,0|1,0,1]=4 2108 B13R1.139 CCCc1ccc(cc1)C(=O)NC 11a_106832991635_100011207308 [1,1,0,0,0,0|2,0,0]=4 2109 B13R1.139 CCCc1ccc(cc1)C(=O)NC 1626a_100102657272_100011207308 [1,1,0,0,0,0|2,0,0]=4 2110 B13R1.139 CCCc1ccc(cc1)C(=O)NC 240690a_100102657272_100011207308 [1,1,0,0,0,0|2,0,0]=4 2111 B13R1.139 CCCc1ccc(cc1)C(=O)NC 527a_100102657272_100011207308 [1,1,0,0,0,0|2,0,0]=4 2112 B13R1.139 CCNc1ccc(cc1)C(=O)NC 2230a_100000184841_100000210202 [1,1,0,0,0,0|2,0,0]=4 2113 B13R1.139 CCNc1ccc(cc1)C(=O)NC 27a_100015525214_100000155074 [1,1,0,0,0,0|2,0,0]=4 2114 B13R1.139 CCNc1ccc(cc1)C(=O)NC 34a_100000184841_100000210202 [1,1,0,0,0,0|2,0,0]=4 2115 B13R1.139 CCOc1ccc(cc1)C(=NO)C 34a_100000164205_100000210202 [1,1,0,0,0,0|2,0,0]=4 2116 B13R1.139 CCOc1ccc(cc1)C(=NO)N 34a_100000231063_100000210202 [1,1,0,0,0,0|2,0,0]=4 2117 B13R1.139 CCOc1ccc(cc1)C(=O)CBr 7a_100009814261_100000210202 [1,1,0,0,0,0|1,0,1]=4 2118 B13R1.139 CCOc1ccc(cc1)C(=O)CC 1458a_100000181891_100000210202 [1,1,0,0,0,0|0,0,1]=3 2119 B13R1.139 CCOc1ccc(cc1)C(=O)CC 34a_100000212119_100000210202 [1,1,0,0,0,0|0,0,1]=3 2120 B13R1.139 CCOc1ccc(cc1)C(=O)CC 7a_100000212119_100000210202 [1,1,0,0,0,0|0,0,1]=3 2121 B13R1.139 CCOc1ccc(cc1)C(=O)CCl 7a_100000018856_100000210202 [1,1,0,0,0,0|1,0,1]=4 2122 B13R1.139 CCOc1ccc(cc1)C(=O)CF 1458a_100000181891_100015361967 [1,1,0,0,0,0|1,0,1]=4 2123 B13R1.139 CCOc1ccc(cc1)C(=O)CF 34a_200010654591_100000210202 [1,1,0,0,0,0|1,0,1]=4 2124 B13R1.139 CCOc1ccc(cc1)C(=O)CF 7a_200010654591_100000210202 [1,1,0,0,0,0|1,0,1]=4 2125 B13R1.139 CCOc1ccc(cc1)C(=O)NC 11a_106832991635_100000181891 [1,1,0,0,0,0|1,0,0]=3 2126 B13R1.139 CCOc1ccc(cc1)C(=O)NC 1626a_100102657272_100000181891 [1,1,0,0,0,0|1,0,0]=3 2127 B13R1.139 CCOc1ccc(cc1)C(=O)NC 240690a_100102657272_100000181891 [1,1,0,0,0,0|1,0,0]=3 2128 B13R1.139 CCOc1ccc(cc1)C(=O)NC 34a_100000192141_100000210202 [1,1,0,0,0,0|1,0,0]=3 2129 B13R1.139 CCOc1ccc(cc1)C(=O)NC 527a_100102657272_100000181891 [1,1,0,0,0,0|1,0,0]=3 2130 B13R1.139 CCOc1ccc(cc1)C(=O)NC 7a_100000192141_100000210202 [1,1,0,0,0,0|1,0,0]=3 2131 B13R1.139 CCOc1ccc(cc1)C(=O)NN 34a_100000185078_100000210202 [1,1,0,0,0,0|2,0,0]=4 2132 B13R1.139 CCOc1ccc(cc1)C(=O)OC 34a_100000150123_100000210202 [1,1,0,0,0,0|1,0,0]=3 2133 B13R1.139 CCOc1ccc(cc1)C(=O)OC 7a_100000150123_100000210202 [1,1,0,0,0,0|1,0,0]=3 2134 B13R1.139 CCOc1ccc(cc1)C(C)CC 34a_100000211540_100000210202 [1,1,0,0,0,0|0,0,2]=4 2135 B13R1.139 CCOc1ccc(cc1)C(C)CC 7a_100000211540_100000210202 [1,1,0,0,0,0|0,0,2]=4 2136 B13R1.139 CCOc1ccc(cc1)C(C)NC 2230a_100000740525_200000210301 [1,1,0,0,0,0|1,0,1]=4 2137 B13R1.139 CCOc1ccc(cc1)C(C)NC 269862a_106832991636_100000169860 [1,1,0,0,0,0|1,0,1]=4 2138 B13R1.139 CCOc1ccc(cc1)C(C)N[13CH3] 2230a_100000740525_200025704644 [1,1,0,0,0,0|1,0,1]=4 2139 B13R1.139 CCOc1ccc(cc1)C(C)OC 34a_200010658654_100000210202 [1,1,0,0,0,0|1,0,1]=4 2140 B13R1.139 CCOc1ccc(cc1)C(C)OC 7a_200010658654_100000210202 [1,1,0,0,0,0|1,0,1]=4 2141 B13R1.139 CCOc1ccc(cc1)C(N)CC 34a_100015187210_100000210202 [1,1,0,0,0,0|0,0,2]=4 2142 B13R1.139 CCOc1ccc(cc1)N(C)CC 2230a_100025784348_100000210202 [1,1,0,0,0,0|1,0,1]=4 2143 B13R1.139 CCOc1ccc(cc1)N(C)CC 269982a_100025784348_100000204670 [1,1,0,0,0,0|1,0,1]=4 2144 B13R1.139 CCOc1ccc(cc1)N(C)CC 34a_100025784348_100000210202 [1,1,0,0,0,0|1,0,1]=4 2145 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 34a_100000761365_200000210301 [1,1,0,0,0,0|1,0,1]=4 2146 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 7a_100000761365_200000210301 [1,1,0,0,0,0|1,0,1]=4 2147 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000761365_200025704644 [1,1,0,0,0,0|1,0,1]=4 2148 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000761365_200025704644 [1,1,0,0,0,0|1,0,1]=4 2149 B13R1.139 CCOc1ccc(nc1)C(=O)NC 34a_100009861314_100000210202 [1,1,0,0,0,0|2,0,0]=4 2150 B13R1.139 CCOc1ccc(nc1)C(=O)NC 7a_100009861314_100000210202 [1,1,0,0,0,0|2,0,0]=4 2151 B13R1.139 CCOc1ccc(nc1)C(=O)OC 34a_100011997255_100000210202 [1,1,0,0,0,0|2,0,0]=4 2152 B13R1.139 CCOc1ccc(nc1)C(=O)OC 7a_100011997255_100000210202 [1,1,0,0,0,0|2,0,0]=4 2153 B13R1.139 CCSc1ccc(cc1)C(=O)C=O 62a_100000210202_100000725942 [1,1,0,0,0,0|1,1,0]=4 2154 B13R1.139 CCSc1ccc(cc1)C(=O)C=O 62a_100000725942_100000210202 [1,1,0,0,0,0|1,1,0]=4 2155 B13R1.139 CCSc1ccc(cc1)C(=O)CC 1458a_100000244969_100000210202 [1,1,0,0,0,0|0,1,1]=4 2156 B13R1.139 CCSc1ccc(cc1)C(=O)CC 62a_100000210202_100000211647 [1,1,0,0,0,0|0,1,1]=4 2157 B13R1.139 CCSc1ccc(cc1)C(=O)CC 62a_100000211647_100000210202 [1,1,0,0,0,0|0,1,1]=4 2158 B13R1.139 CCSc1ccc(cc1)C(=O)NC 11a_106832991635_100000244969 [1,1,0,0,0,0|1,1,0]=4 2159 B13R1.139 CCSc1ccc(cc1)C(=O)NC 1626a_100102657272_100000244969 [1,1,0,0,0,0|1,1,0]=4 2160 B13R1.139 CCSc1ccc(cc1)C(=O)NC 240690a_100102657272_100000244969 [1,1,0,0,0,0|1,1,0]=4 2161 B13R1.139 CCSc1ccc(cc1)C(=O)NC 527a_100102657272_100000244969 [1,1,0,0,0,0|1,1,0]=4 2162 B13R1.139 CCSc1ccc(cc1)C(=O)NC 62a_100000155074_100000210202 [1,1,0,0,0,0|1,1,0]=4 2163 B13R1.139 CCSc1ccc(cc1)C(=O)NC 62a_100000210202_100000155074 [1,1,0,0,0,0|1,1,0]=4 2164 B13R1.139 CCSc1ccc(cc1)C(=O)OC 62a_100000150774_100000210202 [1,1,0,0,0,0|1,1,0]=4 2165 B13R1.139 CCSc1ccc(cc1)C(=O)OC 62a_100000210202_100000150774 [1,1,0,0,0,0|1,1,0]=4 2166 B13R1.139 CNC(=O)c1ccc(cc1)OCF 34a_100000192141_100015361967 [1,1,0,0,0,0|2,0,0]=4 2167 B13R1.139 CNC(=O)c1ccc(cc1)OCF 7a_100000192141_100015361967 [1,1,0,0,0,0|2,0,0]=4 2168 B13R1.139 COC(=O)c1ccc(cc1)OCF 34a_100000150123_100015361967 [1,1,0,0,0,0|2,0,0]=4 2169 B13R1.139 COC(=O)c1ccc(cc1)OCF 7a_100000150123_100015361967 [1,1,0,0,0,0|2,0,0]=4 2170 B13R1.142 C/C=C/c1ccc(cc1)C=C(C)C 271570a_100102525489_100016259036 [1,1,0,0,0,0|1,0,1]=4 2171 B13R1.142 C/C=C/c1ccc(cc1)SC(C)C 62a_100000210206_100016259036 [1,1,0,0,0,0|0,1,0]=3 2172 B13R1.142 C/C=C/c1ccc(cc1)SC(C)C 62a_100016259036_100000210206 [1,1,0,0,0,0|0,1,0]=3 2173 B13R1.142 C=C=Cc1ccc(cc1)OC(C)C 271570a_100015277604_100000169947 [1,1,0,0,0,0|0,0,2]=4 2174 B13R1.142 C=CCc1ccc(cc1)OC(C)C 34a_100000078792_100000210206 [1,1,0,0,0,0|0,0,2]=4 2175 B13R1.142 C=CCc1ccc(cc1)OC(C)C 7a_100000078792_100000210206 [1,1,0,0,0,0|0,0,2]=4 2176 B13R1.142 CC(=Cc1ccc(cc1)CCN)C 271570a_100102525489_100000755846 [1,1,0,0,0,0|2,0,0]=4 2177 B13R1.142 CC(=Cc1ccc(cc1)CCO)C 271570a_100102525489_100000766406 [1,1,0,0,0,0|2,0,0]=4 2178 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 34a_100011218180_100015361967 [1,1,0,0,0,0|1,0,1]=4 2179 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 7a_100011218180_100015361967 [1,1,0,0,0,0|1,0,1]=4 2180 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 34a_100000184395_100015361967 [1,1,0,0,0,0|2,0,0]=4 2181 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 7a_100000184395_100015361967 [1,1,0,0,0,0|2,0,0]=4 2182 B13R1.142 CC(C)Oc1ccc(cc1)CN[13CH3] 2230a_100020586559_200025704644 [1,1,0,0,0,0|1,0,1]=4 2183 B13R1.142 CC(C)Oc1ccc(cc1)CN[13CH3] 34a_100020586559_200025704644 [1,1,0,0,0,0|1,0,1]=4 2184 B13R1.142 CC(C)Oc1ccc(cc1)CO[13CH3] 34a_100000173089_200025704644 [1,1,0,0,0,0|1,0,1]=4 2185 B13R1.142 CC(C)Oc1ccc(cc1)CO[13CH3] 7a_100000173089_200025704644 [1,1,0,0,0,0|1,0,1]=4 2186 B13R1.142 CC(C)Sc1ccc(cc1)/C=C/Br 62a_100000210206_200016255901 [1,1,0,0,0,0|1,1,0]=4 2187 B13R1.142 CC(C)Sc1ccc(cc1)/C=C/Br 62a_200016255901_100000210206 [1,1,0,0,0,0|1,1,0]=4 2188 B13R1.142 CC=Cc1ccc(cc1)CC(=O)C 271570a_100016259895_100000691760 [1,1,0,0,0,0|1,0,1]=4 2189 B13R1.142 CC=Cc1ccc(cc1)CC(C)C 271570a_100016259895_100011221366 [1,1,0,0,0,0|1,0,0]=3 2190 B13R1.142 CC=Cc1ccc(cc1)CN(C)C 271570a_100016259895_100000174694 [1,1,0,0,0,0|2,0,0]=4 2191 B13R1.142 CC=Cc1ccc(cc1)NC(=O)C 271570a_100016259895_100000155215 [1,1,0,0,0,0|1,0,1]=4 2192 B13R1.142 CC=Cc1ccc(cc1)NC(C)C 271570a_100016259895_100000219625 [1,1,0,0,0,0|1,0,0]=3 2193 B13R1.142 CC=Cc1ccc(cc1)OC(=O)C 271570a_100016259895_100000002173 [1,1,0,0,0,0|0,0,1]=3 2194 B13R1.142 CC=Cc1ccc(cc1)OC(=S)C 271570a_100016259895_200009816735 [1,1,0,0,0,0|0,0,1]=3 2195 B13R1.142 CC=Cc1ccc(cc1)OC(C)C 271570a_100016259895_100000169947 [1,1,0,0,0,0|0,0,0]=2 2196 B13R1.142 CC=Cc1ccc(cc1)OC(F)F 271570a_100016259895_100000179047 [1,1,0,0,0,0|1,0,0]=3 2197 B13R1.142 CC=Cc1ccc(cc1)SC(=O)C 271570a_100016259895_200009995050 [1,1,0,0,0,0|0,1,1]=4 2198 B13R1.142 CC=Cc1ccc(cc1)SC(C)C 271570a_100016259895_100009811894 [1,1,0,0,0,0|0,1,0]=3 2199 B13R1.142 CC=Cc1ccc(cc1)SC(F)F 271570a_100016259895_100000178776 [1,1,0,0,0,0|1,1,0]=4 2200 B13R1.142 CC=Cc1ccc(cn1)OC(C)C 271570a_100016259895_100012354243 [1,1,0,0,0,0|1,0,0]=3 2201 B13R1.142 CC=Cc1ccc(cn1)OC(F)F 271570a_100016259895_100000698515 [1,1,0,0,0,0|2,0,0]=4 2202 B13R1.142 CC=Cc1ccc(nc1)OC(C)C 271570a_100016259895_100000688564 [1,1,0,0,0,0|1,0,0]=3 2203 B13R1.142 CC=Cc1ccc(nc1)OC(F)F 271570a_100016259895_100000695986 [1,1,0,0,0,0|2,0,0]=4 2204 B13R1.142 CC=Cc1ccc(nn1)OC(C)C 271570a_100016259895_100011211678 [1,1,0,0,0,0|2,0,0]=4 2205 B13R1.142 CC=Cc1cnc(cn1)OC(C)C 271570a_100016259895_200010967586 [1,1,0,0,0,0|2,0,0]=4 2206 B13R1.142 CC=Cc1cnc(nc1)OC(C)C 271570a_100016259895_200011939451 [1,1,0,0,0,0|2,0,0]=4 2207 B13R1.142 CCCc1ccc(cc1)C=C(C)C 271570a_100102525489_100000750032 [1,1,0,0,0,0|1,0,0]=3 2208 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000070787_100011982809 [1,1,0,0,0,0|1,0,1]=4 2209 B13R1.142 CCCc1ccc(cc1)CC(=O)C 1458a_100000186164_200000210301 [1,1,0,0,0,0|1,0,1]=4 2210 B13R1.142 CCCc1ccc(cc1)CC(=O)[13CH3] 1458a_100000186164_200025704644 [1,1,0,0,0,0|1,0,1]=4 2211 B13R1.142 CCCc1ccc(cc1)NC(=O)C 11a_100000211780_100015343762 [1,1,0,0,0,0|2,0,0]=4 2212 B13R1.142 CCCc1ccc(cc1)NC(=O)C 1626a_100000211780_100015343762 [1,1,0,0,0,0|2,0,0]=4 2213 B13R1.142 CCCc1ccc(cc1)NC(=O)C 22a_100000211780_100000070787 [1,1,0,0,0,0|2,0,0]=4 2214 B13R1.142 CCCc1ccc(cc1)NC(=O)C 527a_100000211780_100103153847 [1,1,0,0,0,0|2,0,0]=4 2215 B13R1.142 CCCc1ccc(cc1)OC(C)C 34a_100000749406_100000210206 [1,1,0,0,0,0|0,0,2]=4 2216 B13R1.142 CCCc1ccc(cc1)OC(C)C 7a_100000749406_100000210206 [1,1,0,0,0,0|0,0,2]=4 2217 B13R1.142 CCNc1ccc(cc1)C=C(C)C 271570a_100102525489_100000219632 [1,1,0,0,0,0|1,0,0]=3 2218 B13R1.142 CCNc1ccc(cc1)NC(=O)C 34a_100000184111_100000210202 [1,1,0,0,0,0|2,0,0]=4 2219 B13R1.142 CCNc1ccc(cc1)OC(C)C 2230a_100011194259_100000210202 [1,1,0,0,0,0|1,0,1]=4 2220 B13R1.142 CCNc1ccc(cc1)OC(C)C 34a_100011194259_100000210202 [1,1,0,0,0,0|1,0,1]=4 2221 B13R1.142 CCNc1ccc(cc1)OC(C)C 34a_100011337800_100000210206 [1,1,0,0,0,0|1,0,1]=4 2222 B13R1.142 CCNc1ccc(cc1)OC(C)C 7a_100011337800_100000210206 [1,1,0,0,0,0|1,0,1]=4 2223 B13R1.142 CCNc1ccc(cn1)C=C(C)C 271570a_100102525489_100000741496 [1,1,0,0,0,0|2,0,0]=4 2224 B13R1.142 CCOc1ccc(cc1)C=C(C)C 271570a_100102525489_100000169946 [1,1,0,0,0,0|0,0,0]=2 2225 B13R1.142 CCOc1ccc(cc1)CC(=O)C 1458a_100000183096_200000210301 [1,1,0,0,0,0|0,0,1]=3 2226 B13R1.142 CCOc1ccc(cc1)CC(=O)C 34a_100011218180_100000210202 [1,1,0,0,0,0|0,0,1]=3 2227 B13R1.142 CCOc1ccc(cc1)CC(=O)C 7a_100011218180_100000210202 [1,1,0,0,0,0|0,0,1]=3 2228 B13R1.142 CCOc1ccc(cc1)CC(=O)N 34a_100000020825_100000210202 [1,1,0,0,0,0|1,0,1]=4 2229 B13R1.142 CCOc1ccc(cc1)CC(=O)[13CH3] 1458a_100000183096_200025704644 [1,1,0,0,0,0|0,0,1]=3 2230 B13R1.142 CCOc1ccc(cc1)CC(C)N 34a_100102634573_100000210202 [1,1,0,0,0,0|0,0,2]=4 2231 B13R1.142 CCOc1ccc(cc1)CN(C)C 2230a_100000180828_200000210301 [1,1,0,0,0,0|1,0,1]=4 2232 B13R1.142 CCOc1ccc(cc1)CN(C)C 269982a_100000180828_200000210301 [1,1,0,0,0,0|1,0,1]=4 2233 B13R1.142 CCOc1ccc(cc1)CN(C)C 270004a_100102631434_100000169836 [1,1,0,0,0,0|1,0,1]=4 2234 B13R1.142 CCOc1ccc(cc1)CN(C)[13CH3] 2230a_100000180828_200025704644 [1,1,0,0,0,0|1,0,1]=4 2235 B13R1.142 CCOc1ccc(cc1)CN(C)[13CH3] 269982a_100000180828_200025704644 [1,1,0,0,0,0|1,0,1]=4 2236 B13R1.142 CCOc1ccc(cc1)NC(=O)C 11a_100000739623_100015343762 [1,1,0,0,0,0|1,0,0]=3 2237 B13R1.142 CCOc1ccc(cc1)NC(=O)C 1626a_100000739623_100015343762 [1,1,0,0,0,0|1,0,0]=3 2238 B13R1.142 CCOc1ccc(cc1)NC(=O)C 22a_100000739623_100000070787 [1,1,0,0,0,0|1,0,0]=3 2239 B13R1.142 CCOc1ccc(cc1)NC(=O)C 34a_100000184395_100000210202 [1,1,0,0,0,0|1,0,0]=3 2240 B13R1.142 CCOc1ccc(cc1)NC(=O)C 527a_100000739623_100103153847 [1,1,0,0,0,0|1,0,0]=3 2241 B13R1.142 CCOc1ccc(cc1)NC(=O)C 7a_100000184395_100000210202 [1,1,0,0,0,0|1,0,0]=3 2242 B13R1.142 CCOc1ccc(cc1)NC(C)C 2230a_100000739623_100000210206 [1,1,0,0,0,0|1,0,1]=4 2243 B13R1.142 CCOc1ccc(cc1)NC(C)C 34a_100000739623_100000210206 [1,1,0,0,0,0|1,0,1]=4 2244 B13R1.142 CCOc1ccc(cc1)OC(C)C 34a_100000185467_100000210206 [1,1,0,0,0,0|1,0,1]=4 2245 B13R1.142 CCOc1ccc(cc1)OC(C)C 34a_100000757185_100000210202 [1,1,0,0,0,0|1,0,1]=4 2246 B13R1.142 CCOc1ccc(cc1)OC(C)C 7a_100000757185_100000210202 [1,1,0,0,0,0|1,0,1]=4 2247 B13R1.142 CCOc1ccc(cc1)SC(C)C 62a_100000210206_100000171712 [1,1,0,0,0,0|1,0,1]=4 2248 B13R1.142 CCOc1ccc(cn1)C=C(C)C 271570a_100102525489_100011219444 [1,1,0,0,0,0|1,0,0]=3 2249 B13R1.142 CCOc1ccc(nc1)C=C(C)C 271570a_100102525489_100000753957 [1,1,0,0,0,0|1,0,0]=3 2250 B13R1.142 CCOc1ccc(nc1)NC(=O)C 34a_200000094647_100000210202 [1,1,0,0,0,0|2,0,0]=4 2251 B13R1.142 CCOc1ccc(nc1)NC(=O)C 7a_200000094647_100000210202 [1,1,0,0,0,0|2,0,0]=4 2252 B13R1.142 CCOc1ccc(nn1)C=C(C)C 271570a_100102525489_100000757289 [1,1,0,0,0,0|2,0,0]=4 2253 B13R1.142 CCOc1cnc(cn1)C=C(C)C 271570a_100102525489_200012356188 [1,1,0,0,0,0|2,0,0]=4 2254 B13R1.142 CCOc1cnc(nc1)C=C(C)C 271570a_100102525489_100000099823 [1,1,0,0,0,0|2,0,0]=4 2255 B13R1.142 CCOc1ncc(cn1)C=C(C)C 271570a_100102525489_100011934766 [1,1,0,0,0,0|2,0,0]=4 2256 B13R1.142 CCSc1ccc(cc1)C=C(Br)Br 62a_100000210202_200013992848 [1,1,0,0,0,0|1,1,0]=4 2257 B13R1.142 CCSc1ccc(cc1)C=C(Br)Br 62a_200013992848_100000210202 [1,1,0,0,0,0|1,1,0]=4 2258 B13R1.142 CCSc1ccc(cc1)C=C(C)C 271570a_100102525489_200009811893 [1,1,0,0,0,0|0,1,0]=3 2259 B13R1.142 CCSc1ccc(cc1)C=C(F)F 62a_100000210202_200009816947 [1,1,0,0,0,0|1,1,0]=4 2260 B13R1.142 CCSc1ccc(cc1)C=C(F)F 62a_200009816947_100000210202 [1,1,0,0,0,0|1,1,0]=4 2261 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000210202_100000691760 [1,1,0,0,0,0|0,1,1]=4 2262 B13R1.142 CCSc1ccc(cc1)CC(=O)C 62a_100000691760_100000210202 [1,1,0,0,0,0|0,1,1]=4 2263 B13R1.142 CCSc1ccc(cc1)NC(=O)C 11a_100015187087_100015343762 [1,1,0,0,0,0|1,1,0]=4 2264 B13R1.142 CCSc1ccc(cc1)NC(=O)C 1626a_100015187087_100015343762 [1,1,0,0,0,0|1,1,0]=4 2265 B13R1.142 CCSc1ccc(cc1)NC(=O)C 22a_100015187087_100000070787 [1,1,0,0,0,0|1,1,0]=4 2266 B13R1.142 CCSc1ccc(cc1)NC(=O)C 527a_100015187087_100103153847 [1,1,0,0,0,0|1,1,0]=4 2267 B13R1.142 CCSc1ccc(cc1)NC(=O)C 62a_100000210202_100000155215 [1,1,0,0,0,0|1,1,0]=4 2268 B13R1.142 CCSc1ccc(cc1)OC(=O)C 62a_100000210202_100000002173 [1,1,0,0,0,0|1,1,0]=4 2269 B13R1.142 CCSc1ccc(cc1)OC(=S)C 62a_100000210202_200009816735 [1,1,0,0,0,0|1,1,0]=4 2270 B13R1.142 CCSc1ccc(cc1)OC(C)C 62a_100000169947_100000210202 [1,1,0,0,0,0|1,0,1]=4 2271 B13R1.142 CCSc1ccc(cc1)OC(C)C 62a_100000210202_100000169947 [1,1,0,0,0,0|1,0,1]=4 2272 B13R1.142 CCSc1ccc(cc1)SC(=O)C 62a_200009995050_100000210202 [1,1,0,0,0,0|1,1,0]=4 2273 B13R1.142 CCSc1ccc(cn1)C=C(C)C 271570a_100102525489_100000690189 [1,1,0,0,0,0|1,1,0]=4 2274 B13R1.142 CNCc1ccc(cc1)C=C(C)C 271570a_100102525489_100000180866 [1,1,0,0,0,0|2,0,0]=4 2275 B13R1.142 CNCc1ccc(cc1)OC(C)C 207a_100102657272_100000169837 [1,1,0,0,0,0|1,0,1]=4 2276 B13R1.142 CNCc1ccc(cc1)OC(C)C 2230a_100020586559_200000210301 [1,1,0,0,0,0|1,0,1]=4 2277 B13R1.142 CNCc1ccc(cc1)OC(C)C 26a_100102657272_100000757185 [1,1,0,0,0,0|1,0,1]=4 2278 B13R1.142 CNCc1ccc(cc1)OC(C)C 270004a_106832991635_100000169837 [1,1,0,0,0,0|1,0,1]=4 2279 B13R1.142 CNCc1ccc(cc1)OC(C)C 34a_100000207500_100000210206 [1,1,0,0,0,0|1,0,1]=4 2280 B13R1.142 CNCc1ccc(cc1)OC(C)C 34a_100020586559_200000210301 [1,1,0,0,0,0|1,0,1]=4 2281 B13R1.142 COCc1ccc(cc1)C=C(C)C 271570a_100102525489_100011493685 [1,1,0,0,0,0|2,0,0]=4 2282 B13R1.142 COCc1ccc(cc1)OC(C)C 34a_100000173089_200000210301 [1,1,0,0,0,0|1,0,1]=4 2283 B13R1.142 COCc1ccc(cc1)OC(C)C 34a_200011995677_100000210206 [1,1,0,0,0,0|1,0,1]=4 2284 B13R1.142 COCc1ccc(cc1)OC(C)C 7a_100000173089_200000210301 [1,1,0,0,0,0|1,0,1]=4 2285 B13R1.142 COCc1ccc(cc1)OC(C)C 7a_200011995677_100000210206 [1,1,0,0,0,0|1,0,1]=4 2286 B13R1.35 CC(=Cc1ccc(c(c1)Br)CO)C 271570a_100102525489_100010240206 [1,1,0,0,0,0|2,0,0]=4 2287 B13R1.35 CC(=Cc1ccc(c(c1)C)CF)C 271570a_100102525489_200010711859 [1,1,0,0,0,0|2,0,0]=4 2288 B13R1.35 CC(=Cc1ccc(c(c1)C)CN)C 271570a_100102525489_100000753881 [1,1,0,0,0,0|2,0,0]=4 2289 B13R1.35 CC(=Cc1ccc(c(c1)C)CO)C 271570a_100102525489_100000748258 [1,1,0,0,0,0|2,0,0]=4 2290 B13R1.35 CC(=Cc1ccc(c(c1)F)CN)C 271570a_100102525489_100000754580 [1,1,0,0,0,0|2,0,0]=4 2291 B13R1.35 CC(=Cc1ccc(c(c1)F)CO)C 271570a_100102525489_100011191541 [1,1,0,0,0,0|2,0,0]=4 2292 B13R1.35 CC(=Cc1ccc(c(c1)N)CO)C 271570a_100102525489_100000718831 [1,1,0,0,0,0|2,0,0]=4 2293 B13R1.35 CC(=Cc1ccc(c(c1)O)C#N)C 271570a_100102525489_100011934713 [1,1,0,0,0,0|1,0,1]=4 2294 B13R1.35 CC(=Cc1ccc(c(c1)O)C=O)C 271570a_100102525489_100011277552 [1,1,0,0,0,0|1,0,1]=4 2295 B13R1.35 CC(=Cc1ccc(c(c1)O)CO)C 271570a_100102525489_100000071718 [1,1,0,0,0,0|1,0,0]=3 2296 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010141077_200025704644 [1,1,0,0,0,0|1,0,1]=4 2297 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010141077_200025704644 [1,1,0,0,0,0|1,0,1]=4 2298 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_200000080089_200025704644 [1,1,0,0,0,0|1,0,1]=4 2299 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_200000080089_200025704644 [1,1,0,0,0,0|1,0,1]=4 2300 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_200000080078_200025704644 [1,1,0,0,0,0|1,0,1]=4 2301 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_200000080078_200025704644 [1,1,0,0,0,0|1,0,1]=4 2302 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 34a_100012186693_200025704644 [1,1,0,0,0,0|2,0,0]=4 2303 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 7a_100012186693_200025704644 [1,1,0,0,0,0|2,0,0]=4 2304 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 34a_100011215158_200025704644 [1,1,0,0,0,0|2,0,0]=4 2305 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 7a_100011215158_200025704644 [1,1,0,0,0,0|2,0,0]=4 2306 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 11a_100000766362_100015343762 [1,1,0,0,0,0|2,0,0]=4 2307 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 1626a_100000766362_100015343762 [1,1,0,0,0,0|2,0,0]=4 2308 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 22a_100000766362_100000070787 [1,1,0,0,0,0|2,0,0]=4 2309 B13R1.35 CCc1ccc(cc1Cl)NC(=O)C 527a_100000766362_100103153847 [1,1,0,0,0,0|2,0,0]=4 2310 B13R1.35 CCc1ccc(cc1F)C=C(C)C 271570a_100102525489_200010071577 [1,1,0,0,0,0|1,0,0]=3 2311 B13R1.35 CCc1ccc(cc1N)C=C(C)C 271570a_100102525489_100012354963 [1,1,0,0,0,0|1,0,0]=3 2312 B13R1.35 CNc1ccc(cc1C)C=C(C)C 271570a_100102525489_100000221803 [1,1,0,0,0,0|2,0,0]=4 2313 B13R1.35 CNc1ccc(cc1F)C=C(C)C 271570a_100102525489_100000743884 [1,1,0,0,0,0|2,0,0]=4 2314 B13R1.35 CNc1ccc(cc1N)C=C(C)C 271570a_100102525489_100000741790 [1,1,0,0,0,0|2,0,0]=4 2315 B13R1.35 COc1ccc(cc1Br)C=C(C)C 271570a_100102525489_100011249507 [1,1,0,0,0,0|1,0,0]=3 2316 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100000070787_200011397701 [1,1,0,0,0,0|1,0,1]=4 2317 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100011202338_200000210301 [1,1,0,0,0,0|1,0,1]=4 2318 B13R1.35 COc1ccc(cc1Br)CC(=O)C 34a_100010141077_200000210301 [1,1,0,0,0,0|1,0,1]=4 2319 B13R1.35 COc1ccc(cc1Br)CC(=O)C 7a_100010141077_200000210301 [1,1,0,0,0,0|1,0,1]=4 2320 B13R1.35 COc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100011202338_200025704644 [1,1,0,0,0,0|1,0,1]=4 2321 B13R1.35 COc1ccc(cc1Br)NC(=O)C 11a_100000187427_100015343762 [1,1,0,0,0,0|2,0,0]=4 2322 B13R1.35 COc1ccc(cc1Br)NC(=O)C 1626a_100000187427_100015343762 [1,1,0,0,0,0|2,0,0]=4 2323 B13R1.35 COc1ccc(cc1Br)NC(=O)C 22a_100000187427_100000070787 [1,1,0,0,0,0|2,0,0]=4 2324 B13R1.35 COc1ccc(cc1Br)NC(=O)C 527a_100000187427_100103153847 [1,1,0,0,0,0|2,0,0]=4 2325 B13R1.35 COc1ccc(cc1C)C=C(C)C 271570a_100102525489_100011219705 [1,1,0,0,0,0|1,0,0]=3 2326 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100000070787_200011290836 [1,1,0,0,0,0|1,0,1]=4 2327 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100011356478_200000210301 [1,1,0,0,0,0|1,0,1]=4 2328 B13R1.35 COc1ccc(cc1C)CC(=O)C 34a_200000080089_200000210301 [1,1,0,0,0,0|1,0,1]=4 2329 B13R1.35 COc1ccc(cc1C)CC(=O)C 7a_200000080089_200000210301 [1,1,0,0,0,0|1,0,1]=4 2330 B13R1.35 COc1ccc(cc1C)CC(=O)[13CH3] 1458a_100011356478_200025704644 [1,1,0,0,0,0|1,0,1]=4 2331 B13R1.35 COc1ccc(cc1C)NC(=O)C 11a_100000743268_100015343762 [1,1,0,0,0,0|2,0,0]=4 2332 B13R1.35 COc1ccc(cc1C)NC(=O)C 1626a_100000743268_100015343762 [1,1,0,0,0,0|2,0,0]=4 2333 B13R1.35 COc1ccc(cc1C)NC(=O)C 22a_100000743268_100000070787 [1,1,0,0,0,0|2,0,0]=4 2334 B13R1.35 COc1ccc(cc1C)NC(=O)C 34a_100012186693_200000210301 [1,1,0,0,0,0|2,0,0]=4 2335 B13R1.35 COc1ccc(cc1C)NC(=O)C 527a_100000743268_100103153847 [1,1,0,0,0,0|2,0,0]=4 2336 B13R1.35 COc1ccc(cc1C)NC(=O)C 7a_100012186693_200000210301 [1,1,0,0,0,0|2,0,0]=4 2337 B13R1.35 COc1ccc(cc1Cl)C=C(C)C 271570a_100102525489_100012355395 [1,1,0,0,0,0|1,0,0]=3 2338 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100000070787_100000693707 [1,1,0,0,0,0|1,0,1]=4 2339 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100012026953_200000210301 [1,1,0,0,0,0|1,0,1]=4 2340 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 34a_200000080078_200000210301 [1,1,0,0,0,0|1,0,1]=4 2341 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 7a_200000080078_200000210301 [1,1,0,0,0,0|1,0,1]=4 2342 B13R1.35 COc1ccc(cc1Cl)CC(=O)[13CH3] 1458a_100012026953_200025704644 [1,1,0,0,0,0|1,0,1]=4 2343 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 11a_100000211044_100015343762 [1,1,0,0,0,0|2,0,0]=4 2344 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 1626a_100000211044_100015343762 [1,1,0,0,0,0|2,0,0]=4 2345 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 22a_100000211044_100000070787 [1,1,0,0,0,0|2,0,0]=4 2346 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 34a_100011215158_200000210301 [1,1,0,0,0,0|2,0,0]=4 2347 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 527a_100000211044_100103153847 [1,1,0,0,0,0|2,0,0]=4 2348 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 7a_100011215158_200000210301 [1,1,0,0,0,0|2,0,0]=4 2349 B13R1.35 COc1ccc(cc1F)C=C(C)C 271570a_100102525489_100000185480 [1,1,0,0,0,0|1,0,0]=3 2350 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000070787_100000189595 [1,1,0,0,0,0|1,0,1]=4 2351 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000204603_200000210301 [1,1,0,0,0,0|1,0,1]=4 2352 B13R1.35 COc1ccc(cc1F)CC(=O)[13CH3] 1458a_100000204603_200025704644 [1,1,0,0,0,0|1,0,1]=4 2353 B13R1.35 COc1ccc(cc1F)NC(=O)C 11a_100000740183_100015343762 [1,1,0,0,0,0|2,0,0]=4 2354 B13R1.35 COc1ccc(cc1F)NC(=O)C 1626a_100000740183_100015343762 [1,1,0,0,0,0|2,0,0]=4 2355 B13R1.35 COc1ccc(cc1F)NC(=O)C 22a_100000740183_100000070787 [1,1,0,0,0,0|2,0,0]=4 2356 B13R1.35 COc1ccc(cc1F)NC(=O)C 527a_100000740183_100103153847 [1,1,0,0,0,0|2,0,0]=4 2357 B13R1.35 COc1ccc(cc1I)NC(=O)C 11a_100011356947_100015343762 [1,1,0,0,0,0|2,0,0]=4 2358 B13R1.35 COc1ccc(cc1I)NC(=O)C 1626a_100011356947_100015343762 [1,1,0,0,0,0|2,0,0]=4 2359 B13R1.35 COc1ccc(cc1I)NC(=O)C 22a_100011356947_100000070787 [1,1,0,0,0,0|2,0,0]=4 2360 B13R1.35 COc1ccc(cc1I)NC(=O)C 527a_100011356947_100103153847 [1,1,0,0,0,0|2,0,0]=4 2361 B13R1.35 COc1ccc(cc1N)C=C(C)C 271570a_100102525489_100000743470 [1,1,0,0,0,0|1,0,0]=3 2362 B13R1.35 COc1ccc(cc1O)C=C(C)C 271570a_100102525489_100009816560 [1,1,0,0,0,0|0,0,0]=2 2363 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [1,1,0,0,0,0|0,0,1]=3 2364 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [1,1,0,0,0,0|0,0,1]=3 2365 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [1,1,0,0,0,0|0,0,1]=3 2366 B13R1.35 COc1ccc(cc1O)CN(C)C 2230a_100000188468_200000210301 [1,1,0,0,0,0|1,0,1]=4 2367 B13R1.35 COc1ccc(cc1O)CN(C)C 269982a_100000188468_200000210301 [1,1,0,0,0,0|1,0,1]=4 2368 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 2230a_100000188468_200025704644 [1,1,0,0,0,0|1,0,1]=4 2369 B13R1.35 COc1ccc(cc1O)CN(C)[13CH3] 269982a_100000188468_200025704644 [1,1,0,0,0,0|1,0,1]=4 2370 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [1,1,0,0,0,0|1,0,0]=3 2371 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [1,1,0,0,0,0|1,0,0]=3 2372 B13R1.35 COc1ccc(cc1O)NC(C)C 34a_100000211920_100000210206 [1,1,0,0,0,0|1,0,1]=4 2373 B13R1.35 COc1ccc(cc1O)SC(C)C 62a_100000210206_100009816560 [1,1,0,0,0,0|1,0,1]=4 2374 B13R1.35 COc1ccc(nc1Br)C=C(C)C 271570a_100102525489_100010214827 [1,1,0,0,0,0|2,0,0]=4 2375 B13R1.35 COc1ccc(nc1C)C=C(C)C 271570a_100102525489_100010244750 [1,1,0,0,0,0|2,0,0]=4 2376 B13R1.35 COc1ccc(nc1Cl)C=C(C)C 271570a_100102525489_100010233546 [1,1,0,0,0,0|2,0,0]=4 2377 B13R1.35 COc1ccc(nc1F)C=C(C)C 271570a_100102525489_100010138636 [1,1,0,0,0,0|2,0,0]=4 2378 B13R1.35 COc1ccc(nc1N)C=C(C)C 271570a_100102525489_100010192976 [1,1,0,0,0,0|2,0,0]=4 2379 B13R1.35 COc1cnc(cc1N)C=C(C)C 271570a_100102525489_100010896307 [1,1,0,0,0,0|2,0,0]=4 2380 B13R1.35 COc1cnc(cc1O)C=C(C)C 271570a_100102525489_100010264082 [1,1,0,0,0,0|1,0,0]=3 2381 B13R1.35 COc1ncc(cc1Br)C=C(C)C 271570a_100102525489_200010988584 [1,1,0,0,0,0|2,0,0]=4 2382 B13R1.35 COc1ncc(cc1C)C=C(C)C 271570a_100102525489_100011290809 [1,1,0,0,0,0|2,0,0]=4 2383 B13R1.35 COc1ncc(cc1F)C=C(C)C 271570a_100102525489_100011880707 [1,1,0,0,0,0|2,0,0]=4 2384 B13R1.35 COc1ncc(cc1N)C=C(C)C 271570a_100102525489_100000748608 [1,1,0,0,0,0|2,0,0]=4 2385 B13R1.35 COc1ncc(cc1O)C=C(C)C 271570a_100102525489_100010135713 [1,1,0,0,0,0|1,0,0]=3 2386 B13R1.35 CSc1ccc(cc1Cl)C=C(C)C 271570a_100102525489_206447510565 [1,1,0,0,0,0|1,1,0]=4 2387 B13R1.35 CSc1ccc(cc1F)C=C(C)C 271570a_100102525489_100010161220 [1,1,0,0,0,0|1,1,0]=4 2388 B13R1.385 CC=Cc1ccc(c(c1)C)C(=O)C 271570a_100016259895_100012360112 [1,1,0,0,0,0|1,0,1]=4 2389 B13R1.385 CC=Cc1ccc(c(c1)F)C(=O)C 271570a_100016259895_100000690205 [1,1,0,0,0,0|1,0,1]=4 2390 B13R1.385 CC=Cc1ccc(c(c1)F)C(C)N 271570a_100016259895_100000730447 [1,1,0,0,0,0|1,0,0]=3 2391 B13R1.385 CC=Cc1ccc(c(c1)F)C(F)F 271570a_100016259895_100010169825 [1,1,0,0,0,0|2,0,0]=4 2392 B13R1.385 CC=Cc1ccc(c(c1)N)C(=O)C 271570a_100016259895_100011590516 [1,1,0,0,0,0|1,0,1]=4 2393 B13R1.385 CC=Cc1ccc(c(c1)N)N(C)C 271570a_100016259895_100000737018 [1,1,0,0,0,0|2,0,0]=4 2394 B13R1.385 CC=Cc1ccc(c(c1)O)B(O)O 271570a_100016259895_100010158982 [1,1,0,0,0,0|2,0,0]=4 2395 B13R1.385 CC=Cc1ccc(c(c1)O)C(=O)C 271570a_100016259895_100000188348 [1,1,0,0,0,0|0,0,1]=3 2396 B13R1.385 CC=Cc1ccc(c(c1)O)C(=O)N 271570a_100016259895_100011550861 [1,1,0,0,0,0|1,0,1]=4 2397 B13R1.386 C=C=Cc1ccc(c(c1)CO)CC 271570a_100015277604_100010766240 [1,1,0,0,0,0|0,0,2]=4 2398 B13R1.386 C=C=Cc1ccc(c(c1)CO)OC 271570a_100015277604_100000204679 [1,1,0,0,0,0|0,0,2]=4 2399 B13R1.386 C=C=Cc1ccc(c(c1)OC)CC 271570a_100015277604_200010710398 [1,1,0,0,0,0|0,0,2]=4 2400 B13R1.386 C=C=Cc1ccc(c(c1)OC)OC 271570a_100015277604_100000187503 [1,1,0,0,0,0|0,0,2]=4 2401 B13R1.386 C=CCc1ccc(c(c1)OC)OC 34a_100000181329_200000210301 [1,1,0,0,0,0|0,0,2]=4 2402 B13R1.386 C=CCc1ccc(c(c1)OC)O[13CH3] 34a_100000181329_200025704644 [1,1,0,0,0,0|0,0,2]=4 2403 B13R1.386 CC=Cc1cc(c(cn1)CO)OC 271570a_100016259895_100010714672 [1,1,0,0,0,0|2,0,0]=4 2404 B13R1.386 CC=Cc1cc(c(nn1)OC)OC 271570a_100016259895_200000095610 [1,1,0,0,0,0|2,0,0]=4 2405 B13R1.386 CC=Cc1ccc(c(c1)C#N)NC 271570a_100016259895_100013037436 [1,1,0,0,0,0|2,0,0]=4 2406 B13R1.386 CC=Cc1ccc(c(c1)C#N)OC 271570a_100016259895_100000188252 [1,1,0,0,0,0|1,0,0]=3 2407 B13R1.386 CC=Cc1ccc(c(c1)C=O)OC 271570a_100016259895_100000170026 [1,1,0,0,0,0|0,0,1]=3 2408 B13R1.386 CC=Cc1ccc(c(c1)CC)OC 271570a_100016259895_200010179862 [1,1,0,0,0,0|1,0,0]=3 2409 B13R1.386 CC=Cc1ccc(c(c1)CN)OC 271570a_100016259895_100000690498 [1,1,0,0,0,0|1,0,0]=3 2410 B13R1.386 CC=Cc1ccc(c(c1)CO)CC 271570a_100016259895_100010766240 [1,1,0,0,0,0|0,0,0]=2 2411 B13R1.386 CC=Cc1ccc(c(c1)CO)CO 271570a_100016259895_100000719600 [1,1,0,0,0,0|1,0,0]=3 2412 B13R1.386 CC=Cc1ccc(c(c1)CO)OC 271570a_100016259895_100000204679 [1,1,0,0,0,0|0,0,0]=2 2413 B13R1.386 CC=Cc1ccc(c(c1)OC)C#N 271570a_100016259895_100000694671 [1,1,0,0,0,0|1,0,1]=4 2414 B13R1.386 CC=Cc1ccc(c(c1)OC)C=O 271570a_100016259895_100000697075 [1,1,0,0,0,0|1,0,1]=4 2415 B13R1.386 CC=Cc1ccc(c(c1)OC)CC 271570a_100016259895_200010710398 [1,1,0,0,0,0|0,0,0]=2 2416 B13R1.386 CC=Cc1ccc(c(c1)OC)CO 271570a_100016259895_100011277633 [1,1,0,0,0,0|1,0,0]=3 2417 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 271570a_100016259895_100000187503 [1,1,0,0,0,0|0,0,0]=2 2418 B13R1.386 CC=Cc1ccc(c(c1)OC)OC 34a_100015195088_200000210301 [1,1,0,0,0,0|0,0,0]=2 2419 B13R1.386 CC=Cc1ccc(c(c1)OC)O[13CH3] 34a_100015195088_200025704644 [1,1,0,0,0,0|0,0,0]=2 2420 B13R1.386 CC=Cc1ccc(c(c1)OC)SC 271570a_100016259895_200011001119 [1,1,0,0,0,0|0,1,0]=3 2421 B13R1.386 CC=Cc1ccc(c(c1)SC)OC 271570a_100016259895_200009892704 [1,1,0,0,0,0|0,1,0]=3 2422 B13R1.386 CC=Cc1ccc(c(n1)C#N)OC 271570a_100016259895_100011093937 [1,1,0,0,0,0|2,0,0]=4 2423 B13R1.386 CC=Cc1ccc(c(n1)OC)CN 271570a_100016259895_100015687481 [1,1,0,0,0,0|2,0,0]=4 2424 B13R1.386 CC=Cc1ccc(c(n1)OC)CO 271570a_100016259895_100010988397 [1,1,0,0,0,0|2,0,0]=4 2425 B13R1.386 CC=Cc1ccc(c(n1)OC)OC 271570a_100016259895_100010214848 [1,1,0,0,0,0|1,0,0]=3 2426 B13R1.386 CC=Cc1cnc(c(c1)C#N)OC 271570a_100016259895_100011935052 [1,1,0,0,0,0|2,0,0]=4 2427 B13R1.386 CC=Cc1cnc(c(c1)C=O)OC 271570a_100016259895_100009814609 [1,1,0,0,0,0|1,0,1]=4 2428 B13R1.386 CC=Cc1cnc(c(c1)CO)OC 271570a_100016259895_100000695684 [1,1,0,0,0,0|1,0,0]=3 2429 B13R1.386 CC=Cc1cnc(c(c1)OC)CO 271570a_100016259895_200010246159 [1,1,0,0,0,0|2,0,0]=4 2430 B13R1.386 CC=Cc1cnc(c(c1)OC)OC 271570a_100016259895_100010234541 [1,1,0,0,0,0|1,0,0]=3 2431 B13R1.386 CC=Cc1cnc(c(n1)OC)OC 271570a_100016259895_100010132954 [1,1,0,0,0,0|2,0,0]=4 2432 B13R1.386 CC=Cc1ncc(c(n1)OC)OC 271570a_100016259895_100010280452 [1,1,0,0,0,0|2,0,0]=4 2433 B13R1.386 CCCc1ccc(c(c1)OC)OC 34a_100000012292_200000210301 [1,1,0,0,0,0|0,0,2]=4 2434 B13R1.386 CCCc1ccc(c(c1)OC)OC 7a_100000012292_200000210301 [1,1,0,0,0,0|0,0,2]=4 2435 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 34a_100000012292_200025704644 [1,1,0,0,0,0|0,0,2]=4 2436 B13R1.386 CCCc1ccc(c(c1)OC)O[13CH3] 7a_100000012292_200025704644 [1,1,0,0,0,0|0,0,2]=4 2437 B13R1.386 CCNc1ccc(c(c1)OC)OC 34a_100000187404_100000210202 [1,1,0,0,0,0|1,0,1]=4 2438 B13R1.386 CCOc1ccc(c(c1)OC)OC 34a_100000039706_100000210202 [1,1,0,0,0,0|1,0,1]=4 2439 B13R1.386 CCSc1ccc(c(c1)CO)CC 62a_100000210202_100010766240 [1,1,0,0,0,0|1,0,1]=4 2440 B13R1.386 CCSc1ccc(c(c1)CO)CC 62a_100010766240_100000210202 [1,1,0,0,0,0|1,0,1]=4 2441 B13R1.386 CCSc1ccc(c(c1)CO)OC 62a_100000204679_100000210202 [1,1,0,0,0,0|1,0,1]=4 2442 B13R1.386 CCSc1ccc(c(c1)CO)OC 62a_100000210202_100000204679 [1,1,0,0,0,0|1,0,1]=4 2443 B13R1.386 CCSc1ccc(c(c1)OC)CC 62a_100000210202_200010710398 [1,1,0,0,0,0|1,0,1]=4 2444 B13R1.386 CCSc1ccc(c(c1)OC)CC 62a_200010710398_100000210202 [1,1,0,0,0,0|1,0,1]=4 2445 B13R1.386 CCSc1ccc(c(c1)OC)OC 62a_100000210202_100011356967 [1,1,0,0,0,0|1,0,1]=4 2446 B13R1.386 CNCc1ccc(c(c1)CO)OC 207a_100102657272_100011361677 [1,1,0,0,0,0|1,0,1]=4 2447 B13R1.386 CNCc1ccc(c(c1)CO)OC 270004a_106832991635_100011361677 [1,1,0,0,0,0|1,0,1]=4 2448 B13R1.386 CNCc1ccc(c(c1)OC)OC 207a_100102657272_100000170513 [1,1,0,0,0,0|1,0,1]=4 2449 B13R1.386 CNCc1ccc(c(c1)OC)OC 2230a_106832991635_100011233839 [1,1,0,0,0,0|1,0,1]=4 2450 B13R1.386 CNCc1ccc(c(c1)OC)OC 270004a_106832991635_100000170513 [1,1,0,0,0,0|1,0,1]=4 2451 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000185555_200000210301 [1,1,0,0,0,0|1,0,1]=4 2452 B13R1.386 CNCc1ccc(c(c1)OC)OC 34a_100000188468_200000210301 [1,1,0,0,0,0|1,0,1]=4 2453 B13R1.386 CNCc1ccc(c(c1)O[13CH3])OC 34a_100000188468_200025704644 [1,1,0,0,0,0|1,0,1]=4 2454 B13R1.386 COCc1ccc(c(c1)OC)OC 34a_100000210929_200000210301 [1,1,0,0,0,0|1,0,1]=4 2455 B13R1.386 COc1ccc(cc1OC)CN[13CH3] 34a_100000185555_200025704644 [1,1,0,0,0,0|1,0,1]=4 2456 B13R1.386 COc1ccc(cc1OC)CO[13CH3] 34a_100000210929_200025704644 [1,1,0,0,0,0|1,0,1]=4 2457 B13R1.386 COc1ccc(cc1OC)CSC 62a_200000210301_100011233839 [1,1,0,0,0,0|1,0,1]=4 2458 B13R1.386 COc1ccc(cc1OC)CS[13CH3] 62a_200025704644_100011233839 [1,1,0,0,0,0|1,0,1]=4 2459 B13R1.577 C=CCNc1ccc(c(c1)O)OC 34a_100000211920_100015514636 [1,1,0,0,0,0|0,0,2]=4 2460 B13R1.577 C=CCSc1ccc(c(c1)O)OC 62a_100000210623_100009816560 [1,1,0,0,0,0|0,0,2]=4 2461 B13R1.577 CC=NNc1ccc(c(c1)Cl)OC 4a_100000699481_200000210099 [1,1,0,0,0,0|2,0,0]=4 2462 B13R1.577 CCCCc1ccc(c(c1)O)OC 271570a_100020621405_100009816560 [1,1,0,0,0,0|0,0,2]=4 2463 B13R1.577 CCCNc1ccc(c(c1)O)OC 34a_100000211920_100000210303 [1,1,0,0,0,0|0,0,2]=4 2464 B13R1.577 CCCSc1ccc(c(c1)O)OC 62a_100000210303_100009816560 [1,1,0,0,0,0|0,0,2]=4 2465 B13R1.577 CCNCc1ccc(c(c1)O)OC 34a_100000740000_100000210202 [1,1,0,0,0,0|0,0,2]=4 2466 B13R1.577 CNCCc1ccc(c(c1)O)OC 2230a_100011207234_200000210301 [1,1,0,0,0,0|0,0,2]=4 2467 B13R1.577 CNCCc1ccc(c(c1)O)OC 34a_100011207234_200000210301 [1,1,0,0,0,0|0,0,2]=4 2468 B13R1.577 COCOc1ccc(c(c1)O)OC 271570a_203496583355_200161107199 [1,1,0,0,0,0|1,0,1]=4 2469 B13R1.577 COCSc1ccc(c(c1)O)OC 62a_100000766300_100009816560 [1,1,0,0,0,0|1,0,1]=4 2470 B13R1.577 COc1ccc(cc1O)CCN[13CH3] 2230a_100011207234_200025704644 [1,1,0,0,0,0|0,0,2]=4 2471 B13R1.577 COc1ccc(cc1O)CCN[13CH3] 34a_100011207234_200025704644 [1,1,0,0,0,0|0,0,2]=4 2472 B13R1.577 COc1ccc(cc1O)CNCF 34a_100000740000_100015361967 [1,1,0,0,0,0|1,0,1]=4 2473 B13R1.577 COc1ccc(cc1O)NCC=O 34a_100000211920_200009817547 [1,1,0,0,0,0|1,0,1]=4 2474 B13R1.577 COc1ccc(cc1O)NCCF 34a_100000211920_100011217306 [1,1,0,0,0,0|1,0,1]=4 2475 B13R1.577 COc1ccc(cc1O)NCCO 34a_100000211920_100000211926 [1,1,0,0,0,0|1,0,1]=4 2476 B13R1.577 COc1ccc(cc1O)NCSC 34a_100000211920_100011218213 [1,1,0,0,0,0|1,0,1]=4 2477 B13R1.577 COc1ccc(cc1O)SCC=O 62a_200015260668_100009816560 [1,1,0,0,0,0|1,0,1]=4 2478 B13R1.577 COc1ccc(cc1O)SCCF 62a_100011217306_100009816560 [1,1,0,0,0,0|1,0,1]=4 2479 B13R1.577 COc1ccc(cc1O)SCCO 62a_100000211926_100009816560 [1,1,0,0,0,0|1,0,1]=4 2480 B13R1.577 COc1ccc(cc1O)SCSC 62a_100011218213_100009816560 [1,1,0,0,0,0|1,0,1]=4 2481 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)CC 1458a_100012340589_100000210202 [1,1,0,0,0,0|1,0,1]=4 2482 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000210202 [1,1,0,0,0,0|1,0,1]=4 2483 B13R1.3088 CCC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000210202 [1,1,0,0,0,0|1,0,1]=4 2484 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000210202 [1,1,0,0,0,0|1,0,1]=4 2485 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 34a_100011218862_200000210301 [1,1,0,0,0,0|1,0,1]=4 2486 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 7a_100011218862_200000210301 [1,1,0,0,0,0|1,0,1]=4 2487 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100011218862_200025704644 [1,1,0,0,0,0|1,0,1]=4 2488 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100011218862_200025704644 [1,1,0,0,0,0|1,0,1]=4 2489 B13R1.3088 CCC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000210202 [1,1,0,0,0,0|1,0,1]=4 2490 B13R1.3088 CCC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000210202 [1,1,0,0,0,0|1,0,1]=4 2491 B13R1.3088 CCC(=O)c1ccc(c(c1)O)CC 1458a_100000089006_100000210202 [1,1,0,0,0,0|0,0,1]=3 2492 B13R1.3088 CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210202 [1,1,0,0,0,0|0,0,1]=3 2493 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 11a_106832991635_100012340589 [1,1,0,0,0,0|2,0,0]=4 2494 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 1626a_100102657272_100012340589 [1,1,0,0,0,0|2,0,0]=4 2495 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 240690a_100102657272_100012340589 [1,1,0,0,0,0|2,0,0]=4 2496 B13R1.3088 CCc1ccc(cc1Br)C(=O)NC 527a_100102657272_100012340589 [1,1,0,0,0,0|2,0,0]=4 2497 B13R1.3088 CCc1ccc(cc1O)C(=O)CF 1458a_100000089006_100015361967 [1,1,0,0,0,0|1,0,1]=4 2498 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 240690a_100102657272_100000089006 [1,1,0,0,0,0|1,0,0]=3 2499 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 527a_100102657272_100000089006 [1,1,0,0,0,0|1,0,0]=3 2500 B13R1.3088 CCc1ccc(cc1O)C(=O)OC 271570a_203496583355_200012360130 [1,1,0,0,0,0|1,0,0]=3 2501 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 11a_106832991635_100000187947 [1,1,0,0,0,0|2,0,0]=4 2502 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 1626a_100102657272_100000187947 [1,1,0,0,0,0|2,0,0]=4 2503 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 240690a_100102657272_100000187947 [1,1,0,0,0,0|2,0,0]=4 2504 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 527a_100102657272_100000187947 [1,1,0,0,0,0|2,0,0]=4 2505 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 11a_106832991635_100011202886 [1,1,0,0,0,0|2,0,0]=4 2506 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 1626a_100102657272_100011202886 [1,1,0,0,0,0|2,0,0]=4 2507 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 240690a_100102657272_100011202886 [1,1,0,0,0,0|2,0,0]=4 2508 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 527a_100102657272_100011202886 [1,1,0,0,0,0|2,0,0]=4 2509 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 11a_106832991635_100000188346 [1,1,0,0,0,0|2,0,0]=4 2510 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 1626a_100102657272_100000188346 [1,1,0,0,0,0|2,0,0]=4 2511 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 240690a_100102657272_100000188346 [1,1,0,0,0,0|2,0,0]=4 2512 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 527a_100102657272_100000188346 [1,1,0,0,0,0|2,0,0]=4 2513 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 11a_106832991635_100000186160 [1,1,0,0,0,0|2,0,0]=4 2514 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 1626a_100102657272_100000186160 [1,1,0,0,0,0|2,0,0]=4 2515 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 240690a_100102657272_100000186160 [1,1,0,0,0,0|2,0,0]=4 2516 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 527a_100102657272_100000186160 [1,1,0,0,0,0|2,0,0]=4 2517 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 11a_106832991635_100000188716 [1,1,0,0,0,0|2,0,0]=4 2518 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 1626a_100102657272_100000188716 [1,1,0,0,0,0|2,0,0]=4 2519 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 240690a_100102657272_100000188716 [1,1,0,0,0,0|2,0,0]=4 2520 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 527a_100102657272_100000188716 [1,1,0,0,0,0|2,0,0]=4 2521 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 240690a_100102657272_100000766810 [1,1,0,0,0,0|1,0,0]=3 2522 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 527a_100102657272_100000766810 [1,1,0,0,0,0|1,0,0]=3 2523 B13R1.3088 CNC(C)c1ccc(c(c1)O)OC 269862a_106832991636_100000732934 [1,1,0,0,0,0|1,0,1]=4 2524 B13R1.3088 COC(=O)c1cc(c(cn1)OC)O 271570a_203496583355_200010136175 [1,1,0,0,0,0|2,0,0]=4 2525 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 34a_100000216328_200000210301 [1,1,0,0,0,0|2,0,0]=4 2526 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 7a_100000216328_200000210301 [1,1,0,0,0,0|2,0,0]=4 2527 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100000216328_200025704644 [1,1,0,0,0,0|2,0,0]=4 2528 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100000216328_200025704644 [1,1,0,0,0,0|2,0,0]=4 2529 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 34a_100011997373_200000210301 [1,1,0,0,0,0|2,0,0]=4 2530 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 7a_100011997373_200000210301 [1,1,0,0,0,0|2,0,0]=4 2531 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100011997373_200025704644 [1,1,0,0,0,0|2,0,0]=4 2532 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100011997373_200025704644 [1,1,0,0,0,0|2,0,0]=4 2533 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 34a_100000151454_200000210301 [1,1,0,0,0,0|2,0,0]=4 2534 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 7a_100000151454_200000210301 [1,1,0,0,0,0|2,0,0]=4 2535 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000151454_200025704644 [1,1,0,0,0,0|2,0,0]=4 2536 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000151454_200025704644 [1,1,0,0,0,0|2,0,0]=4 2537 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 34a_100000075456_200000210301 [1,1,0,0,0,0|2,0,0]=4 2538 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 7a_100000075456_200000210301 [1,1,0,0,0,0|2,0,0]=4 2539 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000075456_200025704644 [1,1,0,0,0,0|2,0,0]=4 2540 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000075456_200025704644 [1,1,0,0,0,0|2,0,0]=4 2541 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 34a_100010162523_200000210301 [1,1,0,0,0,0|2,0,0]=4 2542 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 7a_100010162523_200000210301 [1,1,0,0,0,0|2,0,0]=4 2543 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 34a_100010162523_200025704644 [1,1,0,0,0,0|2,0,0]=4 2544 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 7a_100010162523_200025704644 [1,1,0,0,0,0|2,0,0]=4 2545 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 34a_100000724433_200000210301 [1,1,0,0,0,0|2,0,0]=4 2546 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 7a_100000724433_200000210301 [1,1,0,0,0,0|2,0,0]=4 2547 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000724433_200025704644 [1,1,0,0,0,0|2,0,0]=4 2548 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000724433_200025704644 [1,1,0,0,0,0|2,0,0]=4 2549 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO 271570a_203496583355_100012355398 [1,1,0,0,0,0|2,0,0]=4 2550 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100000189012 [1,1,0,0,0,0|1,0,0]=3 2551 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_100012350776_200000210301 [1,1,0,0,0,0|1,1,0]=4 2552 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_200000210301_100012350776 [1,1,0,0,0,0|1,1,0]=4 2553 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_100012350776_200025704644 [1,1,0,0,0,0|1,1,0]=4 2554 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012350776 [1,1,0,0,0,0|1,1,0]=4 2555 B13R1.3088 COC(=O)c1ccc(c(n1)O)OC 271570a_203496583355_100010205418 [1,1,0,0,0,0|2,0,0]=4 2556 B13R1.3088 COC(=O)c1cnc(c(c1)O)OC 271570a_203496583355_100010189640 [1,1,0,0,0,0|2,0,0]=4 2557 B13R1.3088 COc1ccc(cc1O)C(=O)CF 1458a_100000766810_100015361967 [1,1,0,0,0,0|1,0,1]=4 2558 B13R1.3088 COc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000186317 [1,1,0,0,0,0|2,0,0]=4 2559 B13R1.4031 CC=Cc1cc(c(c(c1)Br)OC)C 271570a_100016259895_100010997178 [1,1,0,0,0,0|1,0,0]=3 2560 B13R1.4031 CC=Cc1cc(c(c(c1)C)CO)C 271570a_100016259895_100010128451 [1,1,0,0,0,0|2,0,0]=4 2561 B13R1.4031 CC=Cc1cc(c(c(c1)C)OC)C 271570a_100016259895_100000211903 [1,1,0,0,0,0|1,0,0]=3 2562 B13R1.4031 CC=Cc1cc(c(c(c1)Cl)CO)Cl 271570a_100016259895_200011001976 [1,1,0,0,0,0|2,0,0]=4 2563 B13R1.4031 CC=Cc1cc(c(c(c1)Cl)OC)Cl 271570a_100016259895_200010110313 [1,1,0,0,0,0|1,0,0]=3 2564 B13R1.4031 CC=Cc1cc(c(c(c1)F)C#N)O 271570a_100016259895_200011156622 [1,1,0,0,0,0|1,0,1]=4 2565 B13R1.4031 CC=Cc1cc(c(c(c1)F)C=O)O 271570a_100016259895_100010762571 [1,1,0,0,0,0|1,0,1]=4 2566 B13R1.4031 CC=Cc1cc(c(c(c1)F)CN)F 271570a_100016259895_100000709252 [1,1,0,0,0,0|2,0,0]=4 2567 B13R1.4031 CC=Cc1cc(c(c(c1)F)CO)F 271570a_100016259895_100011219983 [1,1,0,0,0,0|2,0,0]=4 2568 B13R1.4031 CC=Cc1cc(c(c(c1)F)OC)F 271570a_100016259895_100009813559 [1,1,0,0,0,0|1,0,0]=3 2569 B13R1.4031 CC=Cc1cc(c(c(c1)F)OC)N 271570a_100016259895_200010245146 [1,1,0,0,0,0|1,0,0]=3 2570 B13R1.4031 CC=Cc1cc(c(c(c1)F)SC)F 271570a_100016259895_200010732561 [1,1,0,0,0,0|1,1,0]=4 2571 B13R1.4031 CNCc1cc(c(c(c1)Cl)OC)O 270004a_106832991635_200010620221 [1,1,0,0,0,0|1,0,1]=4 2572 B15R1.54 CC(=O)Cc1ccc(c(c1)Br)OCCF 34a_100010141077_100011217306 [0,2,0,0,0,0|1,0,1]=4 2573 B15R1.54 CC(=O)Cc1ccc(c(c1)Br)OCCF 7a_100010141077_100011217306 [0,2,0,0,0,0|1,0,1]=4 2574 B15R1.54 CC(=O)Cc1ccc(c(c1)Br)OCCO 34a_100010141077_100000211926 [0,2,0,0,0,0|1,0,1]=4 2575 B15R1.54 CC(=O)Cc1ccc(c(c1)Br)OCCO 7a_100010141077_100000211926 [0,2,0,0,0,0|1,0,1]=4 2576 B15R1.54 CC(=O)Cc1ccc(c(c1)C)OCCF 34a_200000080089_100011217306 [0,2,0,0,0,0|1,0,1]=4 2577 B15R1.54 CC(=O)Cc1ccc(c(c1)C)OCCF 7a_200000080089_100011217306 [0,2,0,0,0,0|1,0,1]=4 2578 B15R1.54 CC(=O)Cc1ccc(c(c1)C)OCCO 34a_200000080089_100000211926 [0,2,0,0,0,0|1,0,1]=4 2579 B15R1.54 CC(=O)Cc1ccc(c(c1)C)OCCO 7a_200000080089_100000211926 [0,2,0,0,0,0|1,0,1]=4 2580 B15R1.54 CC(=O)Cc1ccc(c(c1)Cl)OCCF 34a_200000080078_100011217306 [0,2,0,0,0,0|1,0,1]=4 2581 B15R1.54 CC(=O)Cc1ccc(c(c1)Cl)OCCF 7a_200000080078_100011217306 [0,2,0,0,0,0|1,0,1]=4 2582 B15R1.54 CC(=O)Cc1ccc(c(c1)Cl)OCCO 34a_200000080078_100000211926 [0,2,0,0,0,0|1,0,1]=4 2583 B15R1.54 CC(=O)Cc1ccc(c(c1)Cl)OCCO 7a_200000080078_100000211926 [0,2,0,0,0,0|1,0,1]=4 2584 B15R1.54 CC(=O)Nc1ccc(c(c1)C)OCCF 34a_100012186693_100011217306 [0,2,0,0,0,0|2,0,0]=4 2585 B15R1.54 CC(=O)Nc1ccc(c(c1)C)OCCF 7a_100012186693_100011217306 [0,2,0,0,0,0|2,0,0]=4 2586 B15R1.54 CC(=O)Nc1ccc(c(c1)C)OCCO 34a_100012186693_100000211926 [0,2,0,0,0,0|2,0,0]=4 2587 B15R1.54 CC(=O)Nc1ccc(c(c1)C)OCCO 7a_100012186693_100000211926 [0,2,0,0,0,0|2,0,0]=4 2588 B15R1.54 CC(=O)Nc1ccc(c(c1)Cl)OCCF 34a_100011215158_100011217306 [0,2,0,0,0,0|2,0,0]=4 2589 B15R1.54 CC(=O)Nc1ccc(c(c1)Cl)OCCF 7a_100011215158_100011217306 [0,2,0,0,0,0|2,0,0]=4 2590 B15R1.54 CC(=O)Nc1ccc(c(c1)Cl)OCCO 34a_100011215158_100000211926 [0,2,0,0,0,0|2,0,0]=4 2591 B15R1.54 CC(=O)Nc1ccc(c(c1)Cl)OCCO 7a_100011215158_100000211926 [0,2,0,0,0,0|2,0,0]=4 2592 B15R1.54 CCCOc1ccc(cc1Br)CC(=O)C 34a_100010141077_100000210303 [0,2,0,0,0,0|1,0,1]=4 2593 B15R1.54 CCCOc1ccc(cc1Br)CC(=O)C 7a_100010141077_100000210303 [0,2,0,0,0,0|1,0,1]=4 2594 B15R1.54 CCCOc1ccc(cc1C)CC(=O)C 34a_200000080089_100000210303 [0,2,0,0,0,0|1,0,1]=4 2595 B15R1.54 CCCOc1ccc(cc1C)CC(=O)C 7a_200000080089_100000210303 [0,2,0,0,0,0|1,0,1]=4 2596 B15R1.54 CCCOc1ccc(cc1C)NC(=O)C 34a_100012186693_100000210303 [0,2,0,0,0,0|2,0,0]=4 2597 B15R1.54 CCCOc1ccc(cc1C)NC(=O)C 7a_100012186693_100000210303 [0,2,0,0,0,0|2,0,0]=4 2598 B15R1.54 CCCOc1ccc(cc1Cl)CC(=O)C 34a_200000080078_100000210303 [0,2,0,0,0,0|1,0,1]=4 2599 B15R1.54 CCCOc1ccc(cc1Cl)CC(=O)C 7a_200000080078_100000210303 [0,2,0,0,0,0|1,0,1]=4 2600 B15R1.54 CCCOc1ccc(cc1Cl)NC(=O)C 11a_100000742593_100015343762 [0,2,0,0,0,0|2,0,0]=4 2601 B15R1.54 CCCOc1ccc(cc1Cl)NC(=O)C 1626a_100000742593_100015343762 [0,2,0,0,0,0|2,0,0]=4 2602 B15R1.54 CCCOc1ccc(cc1Cl)NC(=O)C 22a_100000742593_100000070787 [0,2,0,0,0,0|2,0,0]=4 2603 B15R1.54 CCCOc1ccc(cc1Cl)NC(=O)C 34a_100011215158_100000210303 [0,2,0,0,0,0|2,0,0]=4 2604 B15R1.54 CCCOc1ccc(cc1Cl)NC(=O)C 527a_100000742593_100103153847 [0,2,0,0,0,0|2,0,0]=4 2605 B15R1.54 CCCOc1ccc(cc1Cl)NC(=O)C 7a_100011215158_100000210303 [0,2,0,0,0,0|2,0,0]=4 2606 B15R1.54 CCCOc1ncc(cc1C)C=C(C)C 271570a_100102525489_200012348856 [0,2,0,0,0,0|2,0,0]=4 2607 B15R1.54 COCOc1ccc(cc1F)C=C(C)C 271570a_100102525489_100009812708 [0,2,0,0,0,0|1,0,0]=3 2608 B15R1.54 CSCOc1ccc(cc1Br)CC(=O)C 34a_100010141077_100011218213 [0,2,0,0,0,0|1,0,1]=4 2609 B15R1.54 CSCOc1ccc(cc1C)CC(=O)C 34a_200000080089_100011218213 [0,2,0,0,0,0|1,0,1]=4 2610 B15R1.54 CSCOc1ccc(cc1C)NC(=O)C 34a_100012186693_100011218213 [0,2,0,0,0,0|2,0,0]=4 2611 B15R1.54 CSCOc1ccc(cc1Cl)CC(=O)C 34a_200000080078_100011218213 [0,2,0,0,0,0|1,0,1]=4 2612 B15R1.54 CSCOc1ccc(cc1Cl)NC(=O)C 34a_100011215158_100011218213 [0,2,0,0,0,0|2,0,0]=4 2613 B15R1.5387 CC(=Cc1ccc(c(c1)C)OC(C)C)C 271570a_100102525489_200011825982 [0,2,0,0,0,0|1,0,0]=3 2614 B15R1.5387 CC(=Cc1ccc(c(c1)C)OC(F)F)C 271570a_100102525489_100011825985 [0,2,0,0,0,0|2,0,0]=4 2615 B15R1.5387 CC(=Cc1ccc(c(c1)F)OC(C)C)C 271570a_100102525489_100009811877 [0,2,0,0,0,0|1,0,0]=3 2616 B15R1.5387 CC(=Cc1ccc(c(c1)F)OC(F)F)C 271570a_100102525489_100000728548 [0,2,0,0,0,0|2,0,0]=4 2617 B15R1.5387 CC(=Cc1ccc(c(c1)N)OC(C)C)C 271570a_100102525489_100000690130 [0,2,0,0,0,0|1,0,0]=3 2618 B15R1.5387 CC(=Cc1ccc(c(c1)N)OC(F)F)C 271570a_100102525489_100000759289 [0,2,0,0,0,0|2,0,0]=4 2619 B15R1.5387 CC(=O)Cc1ccc(c(c1)Br)OC(C)C 34a_100010141077_100000210206 [0,2,0,0,0,0|1,0,1]=4 2620 B15R1.5387 CC(=O)Cc1ccc(c(c1)Br)OC(C)C 7a_100010141077_100000210206 [0,2,0,0,0,0|1,0,1]=4 2621 B15R1.5387 CC(=O)Cc1ccc(c(c1)C)OC(C)C 34a_200000080089_100000210206 [0,2,0,0,0,0|1,0,1]=4 2622 B15R1.5387 CC(=O)Cc1ccc(c(c1)C)OC(C)C 7a_200000080089_100000210206 [0,2,0,0,0,0|1,0,1]=4 2623 B15R1.5387 CC(=O)Cc1ccc(c(c1)Cl)OC(C)C 34a_200000080078_100000210206 [0,2,0,0,0,0|1,0,1]=4 2624 B15R1.5387 CC(=O)Cc1ccc(c(c1)Cl)OC(C)C 7a_200000080078_100000210206 [0,2,0,0,0,0|1,0,1]=4 2625 B15R1.5387 CC(=O)Nc1ccc(c(c1)Br)OC(C)C 11a_200000706018_100015343762 [0,2,0,0,0,0|2,0,0]=4 2626 B15R1.5387 CC(=O)Nc1ccc(c(c1)Br)OC(C)C 1626a_200000706018_100015343762 [0,2,0,0,0,0|2,0,0]=4 2627 B15R1.5387 CC(=O)Nc1ccc(c(c1)Br)OC(C)C 22a_200000706018_100000070787 [0,2,0,0,0,0|2,0,0]=4 2628 B15R1.5387 CC(=O)Nc1ccc(c(c1)Br)OC(C)C 527a_200000706018_100103153847 [0,2,0,0,0,0|2,0,0]=4 2629 B15R1.5387 CC(=O)Nc1ccc(c(c1)C)OC(C)C 34a_100012186693_100000210206 [0,2,0,0,0,0|2,0,0]=4 2630 B15R1.5387 CC(=O)Nc1ccc(c(c1)C)OC(C)C 7a_100012186693_100000210206 [0,2,0,0,0,0|2,0,0]=4 2631 B15R1.5387 CC(=O)Nc1ccc(c(c1)Cl)OC(C)C 11a_100000737677_100015343762 [0,2,0,0,0,0|2,0,0]=4 2632 B15R1.5387 CC(=O)Nc1ccc(c(c1)Cl)OC(C)C 1626a_100000737677_100015343762 [0,2,0,0,0,0|2,0,0]=4 2633 B15R1.5387 CC(=O)Nc1ccc(c(c1)Cl)OC(C)C 22a_100000737677_100000070787 [0,2,0,0,0,0|2,0,0]=4 2634 B15R1.5387 CC(=O)Nc1ccc(c(c1)Cl)OC(C)C 34a_100011215158_100000210206 [0,2,0,0,0,0|2,0,0]=4 2635 B15R1.5387 CC(=O)Nc1ccc(c(c1)Cl)OC(C)C 527a_100000737677_100103153847 [0,2,0,0,0,0|2,0,0]=4 2636 B15R1.5387 CC(=O)Nc1ccc(c(c1)Cl)OC(C)C 7a_100011215158_100000210206 [0,2,0,0,0,0|2,0,0]=4 2637 B15R1.5387 CC(=O)Oc1ccc(c(c1)O)OC(=O)C 271570a_203496583355_100009828021 [0,2,0,0,0,0|1,0,1]=4 2638 B15R1.5387 CC(=O)Oc1ccc(cc1F)C=C(C)C 271570a_100102525489_100009811628 [0,2,0,0,0,0|1,0,1]=4 2639 B15R1.5627 C=CC(=O)Nc1ccc(c(c1)Cl)OCC 1626a_100000741444_100000185746 [0,2,0,0,0,0|1,0,1]=4 2640 B15R1.5627 C=CC(=O)Nc1ccc(c(c1)Cl)OCC 22a_100000741444_100000185746 [0,2,0,0,0,0|1,0,1]=4 2641 B15R1.5627 CCOc1ccc(cc1Br)CC(=O)OC 34a_100010222482_100000210202 [0,2,0,0,0,0|1,0,1]=4 2642 B15R1.5627 CCOc1ccc(cc1Br)CC(=O)OC 7a_100010222482_100000210202 [0,2,0,0,0,0|1,0,1]=4 2643 B15R1.5627 CCOc1ccc(cc1C)CC(=O)OC 34a_100000087474_100000210202 [0,2,0,0,0,0|1,0,1]=4 2644 B15R1.5627 CCOc1ccc(cc1C)CC(=O)OC 7a_100000087474_100000210202 [0,2,0,0,0,0|1,0,1]=4 2645 B15R1.5627 CCOc1ccc(cc1Cl)C=C(C)C#N 6a_200000188301_200000212204 [0,2,0,0,0,0|1,0,0]=3 2646 B15R1.5627 CCOc1ccc(cc1Cl)C=C(F)C#N 6a_200000188301_200000032654 [0,2,0,0,0,0|1,0,1]=4 2647 B15R1.5627 CCOc1ccc(cc1Cl)CC(=O)OC 34a_100009994800_100000210202 [0,2,0,0,0,0|1,0,1]=4 2648 B15R1.5627 CCOc1ccc(cc1Cl)CC(=O)OC 7a_100009994800_100000210202 [0,2,0,0,0,0|1,0,1]=4 2649 B15R1.5627 CCOc1ccc(cc1Cl)NC(=O)CC 11a_100000741444_100000210414 [0,2,0,0,0,0|1,0,1]=4 2650 B15R1.5627 CCOc1ccc(cc1Cl)NC(=O)CC 1626a_100000741444_100000210414 [0,2,0,0,0,0|1,0,1]=4 2651 B15R1.5627 CCOc1ccc(cc1Cl)NC(=O)CC 22a_100000741444_100000210414 [0,2,0,0,0,0|1,0,1]=4 2652 B15R1.5627 CCOc1ccc(cc1Cl)NC(=O)CC 527a_100000741444_100000210414 [0,2,0,0,0,0|1,0,1]=4 2653 B15R1.5627 CCOc1ccc(cc1Cl)NC(=O)CO 22a_100000741444_100000210174 [0,2,0,0,0,0|2,0,0]=4 2654 B15R1.5627 CCOc1ccc(cc1Cl)NC(=O)CO 527a_100000741444_100000210174 [0,2,0,0,0,0|2,0,0]=4 2655 B15R1.5627 CCOc1ccc(cc1Cl)NC(=O)NC 2430a_100000741444_100102657272 [0,2,0,0,0,0|2,0,0]=4 2656 B15R1.5627 CCOc1ccc(cc1F)CC(=O)OC 34a_100000699185_100000210202 [0,2,0,0,0,0|1,0,1]=4 2657 B15R1.5627 CCOc1ccc(cc1F)CC(=O)OC 7a_100000699185_100000210202 [0,2,0,0,0,0|1,0,1]=4 2658 B15R1.5627 CCOc1ccc(cc1I)C=C(C)C#N 6a_200000123116_200000212204 [0,2,0,0,0,0|1,0,0]=3 2659 B15R1.5627 CCOc1ccc(cc1I)C=C(F)C#N 6a_200000123116_200000032654 [0,2,0,0,0,0|1,0,1]=4 2660 B15R1.5627 CCOc1ccc(cc1N)CC(=O)OC 34a_100000067991_100000210202 [0,2,0,0,0,0|1,0,1]=4 2661 B15R1.9548 CCOc1ccc(cc1C#N)C=C(C)C 271570a_100102525489_100000188824 [0,2,0,0,0,0|1,0,0]=3 2662 B15R1.9548 CCOc1ccc(cc1C=O)C=C(C)C 271570a_100102525489_100000170027 [0,2,0,0,0,0|0,0,1]=3 2663 B15R1.9548 CCOc1ccc(cc1CC)C=C(C)C 271570a_100102525489_200010070707 [0,2,0,0,0,0|1,0,0]=3 2664 B15R1.9548 CCOc1ccc(cc1CO)CN(C)C 270004a_100102631434_100000051005 [0,2,0,0,0,0|1,0,1]=4 2665 B15R1.9548 CCOc1ccc(cc1OC)C=C(C)C 271570a_100102525489_200012344064 [0,2,0,0,0,0|0,0,0]=2 2666 B15R1.9548 CCOc1ccc(cc1OC)CC(=O)C 1458a_100000061229_200000210301 [0,2,0,0,0,0|0,0,1]=3 2667 B15R1.9548 CCOc1ccc(cc1OC)CC(=O)C 34a_200000039568_100000210202 [0,2,0,0,0,0|0,0,1]=3 2668 B15R1.9548 CCOc1ccc(cc1OC)CC(=O)[13CH3] 1458a_100000061229_200025704644 [0,2,0,0,0,0|0,0,1]=3 2669 B15R1.9548 CCOc1ccc(cc1OC)CN(C)C 2230a_100025772790_200000210301 [0,2,0,0,0,0|1,0,1]=4 2670 B15R1.9548 CCOc1ccc(cc1OC)CN(C)C 269982a_100025772790_200000210301 [0,2,0,0,0,0|1,0,1]=4 2671 B15R1.9548 CCOc1ccc(cc1OC)CN(C)C 270004a_100102631434_100000169853 [0,2,0,0,0,0|1,0,1]=4 2672 B15R1.9548 CCOc1ccc(cc1OC)CN(C)[13CH3] 2230a_100025772790_200025704644 [0,2,0,0,0,0|1,0,1]=4 2673 B15R1.9548 CCOc1ccc(cc1OC)CN(C)[13CH3] 269982a_100025772790_200025704644 [0,2,0,0,0,0|1,0,1]=4 2674 B15R1.9548 CCOc1ccc(cc1OC)NC(=O)C 11a_100000184985_100015343762 [0,2,0,0,0,0|1,0,0]=3 2675 B15R1.9548 CCOc1ccc(cc1OC)NC(=O)C 1626a_100000184985_100015343762 [0,2,0,0,0,0|1,0,0]=3 2676 B15R1.9548 CCOc1ccc(cc1OC)NC(=O)C 22a_100000184985_100000070787 [0,2,0,0,0,0|1,0,0]=3 2677 B15R1.9548 CCOc1ccc(cc1OC)NC(=O)C 527a_100000184985_100103153847 [0,2,0,0,0,0|1,0,0]=3 2678 B15R1.9548 CCOc1ccc(cc1OC)NC(C)C 2230a_100000184985_100000210206 [0,2,0,0,0,0|1,0,1]=4 2679 B15R1.9548 CCOc1ccc(cc1OC)NC(C)C 34a_100000184985_100000210206 [0,2,0,0,0,0|1,0,1]=4 2680 B15R1.9548 CCOc1ncc(cc1OC)C=C(C)C 271570a_100102525489_200010116856 [0,2,0,0,0,0|1,0,0]=3 2681 B15R1.9548 COc1cc(ccc1OCF)CC(=O)C 34a_200000039568_100015361967 [0,2,0,0,0,0|1,0,1]=4 2682 B15R1.9549 CCOc1ccc(cc1Br)C(=O)C(C)C 1458a_100000230806_100000210206 [0,2,0,0,0,0|1,0,1]=4 2683 B15R1.9549 CCOc1ccc(cc1Br)C(=O)N(C)C 11a_100102631434_100000230806 [0,2,0,0,0,0|2,0,0]=4 2684 B15R1.9549 CCOc1ccc(cc1Br)C(=O)N(C)C 1626a_100102631434_100000230806 [0,2,0,0,0,0|2,0,0]=4 2685 B15R1.9549 CCOc1ccc(cc1Br)C(=O)N(C)C 240690a_100102631434_100000230806 [0,2,0,0,0,0|2,0,0]=4 2686 B15R1.9549 CCOc1ccc(cc1Br)C(=O)N(C)C 527a_100102631434_100000230806 [0,2,0,0,0,0|2,0,0]=4 2687 B15R1.9549 CCOc1ccc(cc1C)C(=C(C)C)C 271570a_200000049429_100011308936 [0,2,0,0,0,0|1,0,0]=3 2688 B15R1.9549 CCOc1ccc(cc1Cl)C(=O)C(C)C 1458a_100000230665_100000210206 [0,2,0,0,0,0|1,0,1]=4 2689 B15R1.9549 CCOc1ccc(cc1Cl)C(=O)N(C)C 11a_100102631434_100000230665 [0,2,0,0,0,0|2,0,0]=4 2690 B15R1.9549 CCOc1ccc(cc1Cl)C(=O)N(C)C 1626a_100102631434_100000230665 [0,2,0,0,0,0|2,0,0]=4 2691 B15R1.9549 CCOc1ccc(cc1Cl)C(=O)N(C)C 240690a_100102631434_100000230665 [0,2,0,0,0,0|2,0,0]=4 2692 B15R1.9549 CCOc1ccc(cc1Cl)C(=O)N(C)C 527a_100102631434_100000230665 [0,2,0,0,0,0|2,0,0]=4 2693 B15R1.9549 CCOc1ccc(cc1F)C(=C(C)C)C 271570a_200000049429_200000171753 [0,2,0,0,0,0|1,0,0]=3 2694 B15R1.9549 CCOc1ccc(cc1N)C(=C(C)C)C 271570a_200000049429_100000751366 [0,2,0,0,0,0|1,0,0]=3 2695 B15R1.9549 CCOc1ncc(cc1C)C(=C(C)C)C 271570a_200000049429_100012351028 [0,2,0,0,0,0|2,0,0]=4 2696 B15R1.9549 CCOc1ncc(cc1N)C(=C(C)C)C 271570a_200000049429_100011433076 [0,2,0,0,0,0|2,0,0]=4 2697 B15R1.9562 CC=Cc1ccc(c(c1O)F)OC(C)C 271570a_100016259895_202127810487 [0,2,0,0,0,0|1,0,0]=3 2698 B15R1.9562 CCOc1ccc(c(c1F)F)C=C(C)C 271570a_100102525489_100010177744 [0,2,0,0,0,0|1,0,0]=3 2699 B15R1.9562 CCOc1ccc(c(c1F)F)CC(=O)C 1458a_100000070787_200009814557 [0,2,0,0,0,0|1,0,1]=4 2700 B15R1.9562 CCOc1ccc(c(c1F)F)CC(=O)C 1458a_200000069773_200000210301 [0,2,0,0,0,0|1,0,1]=4 2701 B15R1.9562 CCOc1ccc(c(c1F)F)CC(=O)[13CH3] 1458a_200000069773_200025704644 [0,2,0,0,0,0|1,0,1]=4 2702 B15R1.9562 CCOc1ccc(c(c1F)F)NC(=O)C 11a_100000061421_100015343762 [0,2,0,0,0,0|2,0,0]=4 2703 B15R1.9562 CCOc1ccc(c(c1F)F)NC(=O)C 1626a_100000061421_100015343762 [0,2,0,0,0,0|2,0,0]=4 2704 B15R1.9562 CCOc1ccc(c(c1F)F)NC(=O)C 22a_100000061421_100000070787 [0,2,0,0,0,0|2,0,0]=4 2705 B15R1.9562 CCOc1ccc(c(c1F)F)NC(=O)C 527a_100000061421_100103153847 [0,2,0,0,0,0|2,0,0]=4 2706 B15R1.11693 CCC(=O)c1ccc(cc1C)C=C(C)C 271570a_100102525489_200012361375 [0,2,0,0,0,0|2,0,0]=4 2707 B15R1.11693 CCC(=O)c1ccc(cc1F)C=C(C)C 271570a_100102525489_100012360378 [0,2,0,0,0,0|2,0,0]=4 2708 B15R1.11693 CCC(=O)c1ccc(cc1O)NC(=O)C 1458a_100011194132_100000210202 [0,2,0,0,0,0|2,0,0]=4 2709 B15R1.11693 COC(=O)c1ccc(cc1O)C=C(C)C 271570a_100102525489_100000062286 [0,2,0,0,0,0|2,0,0]=4 2710 B15R1.26785 CCOc1c(cc(cc1Br)NC(=O)C)Cl 11a_200010126271_100015343762 [0,2,0,0,0,0|2,0,0]=4 2711 B15R1.26785 CCOc1c(cc(cc1Br)NC(=O)C)Cl 1626a_200010126271_100015343762 [0,2,0,0,0,0|2,0,0]=4 2712 B15R1.26785 CCOc1c(cc(cc1Br)NC(=O)C)Cl 22a_200010126271_100000070787 [0,2,0,0,0,0|2,0,0]=4 2713 B15R1.26785 CCOc1c(cc(cc1Br)NC(=O)C)Cl 527a_200010126271_100103153847 [0,2,0,0,0,0|2,0,0]=4 2714 B15R1.26785 CCOc1c(cc(cc1C)CC(=O)C)C 34a_200000080086_100000210202 [0,2,0,0,0,0|1,0,1]=4 2715 B15R1.26785 CCOc1c(cc(cc1C)CC(=O)C)C 7a_200000080086_100000210202 [0,2,0,0,0,0|1,0,1]=4 2716 B15R1.26785 CCOc1c(cc(cc1Cl)CC(=O)C)F 1458a_100000070787_100010209347 [0,2,0,0,0,0|1,0,1]=4 2717 B15R1.26785 CCOc1c(cc(cc1F)C=C(C)C)F 271570a_100102525489_200010078527 [0,2,0,0,0,0|1,0,0]=3 2718 B15R1.26785 CCOc1c(cc(cc1F)NC(=O)C)F 11a_100011396735_100015343762 [0,2,0,0,0,0|2,0,0]=4 2719 B15R1.26785 CCOc1c(cc(cc1F)NC(=O)C)F 1626a_100011396735_100015343762 [0,2,0,0,0,0|2,0,0]=4 2720 B15R1.26785 CCOc1c(cc(cc1F)NC(=O)C)F 22a_100011396735_100000070787 [0,2,0,0,0,0|2,0,0]=4 2721 B15R1.26785 CCOc1c(cc(cc1F)NC(=O)C)F 527a_100011396735_100103153847 [0,2,0,0,0,0|2,0,0]=4 2722 B15R1.27363 CC=Cc1cc(c(cc1F)OC(C)C)F 271570a_100016259895_200134756282 [0,2,0,0,0,0|1,0,0]=3 2723 B15R1.989 CCC(=O)c1ccc(cc1O)C(=O)OC 1458a_100000101776_100000210202 [0,2,0,0,0,0|2,0,0]=4 2724 B15R1.3708 CC=Cc1cc(c(c(c1)F)C(=O)OC)O 271570a_100016259895_100010889199 [0,2,0,0,0,0|2,0,0]=4 2725 B15R1.9631 CC=Cc1ccc(c(c1)OC)C(=O)OC 271570a_100016259895_100000708095 [0,2,0,0,0,0|2,0,0]=4 2726 B15R1.9645 CC=Cc1ccc(c(c1)C)C(=O)OCC 271570a_100016259895_100011327926 [0,2,0,0,0,0|1,0,0]=3 2727 B15R1.9645 CC=Cc1ccc(c(c1)Cl)C(=O)OCC 271570a_100016259895_100000060723 [0,2,0,0,0,0|1,0,0]=3 2728 B15R1.9645 CC=Cc1ccc(c(c1)F)C(=O)CCC 271570a_100016259895_100012345046 [0,2,0,0,0,0|2,0,0]=4 2729 B15R1.9645 CC=Cc1ccc(c(c1)F)C(=O)NCC 271570a_100016259895_200000215476 [0,2,0,0,0,0|2,0,0]=4 2730 B15R1.9645 CC=Cc1ccc(c(c1)F)C(=O)OCC 271570a_100016259895_100010244673 [0,2,0,0,0,0|1,0,0]=3 2731 B15R1.9645 CC=Cc1ccc(c(n1)C)C(=O)OCC 271570a_100016259895_100000106303 [0,2,0,0,0,0|2,0,0]=4 2732 B15R1.9645 CC=Cc1cnc(c(c1)C)C(=O)OCC 271570a_100016259895_100010201522 [0,2,0,0,0,0|2,0,0]=4 2733 B15R1.9645 CC=Cc1cnc(c(c1)N)C(=O)OCC 271570a_100016259895_100010230144 [0,2,0,0,0,0|2,0,0]=4 2734 B15R1.9645 CC=Cc1cnc(c(c1)O)C(=O)OCC 271570a_100016259895_100016103240 [0,2,0,0,0,0|1,0,0]=3 2735 B15R1.16555 CC=Cc1cc(c(cc1F)C(=O)OC)O 271570a_100016259895_100010760826 [0,2,0,0,0,0|2,0,0]=4 2736 B15R1.16555 CCOc1cc(c(cc1Cl)C(=O)OC)F 34a_100010366841_100000210202 [0,2,0,0,0,0|2,0,0]=4 2737 B15R1.16555 CCOc1cc(c(cc1Cl)C(=O)OC)F 7a_100010366841_100000210202 [0,2,0,0,0,0|2,0,0]=4 2738 B15R1.16575 CC=Cc1ccc(c(c1F)O)C(=O)OC 271570a_100016259895_100011092008 [0,2,0,0,0,0|2,0,0]=4 2739 B15R1.16575 CCOc1ccc(c(c1F)F)C(=O)CC 1458a_100000061936_100000210202 [0,2,0,0,0,0|1,0,1]=4 2740 B15R1.16575 CCOc1ccc(c(c1F)F)C(=O)NC 11a_106832991635_100000061936 [0,2,0,0,0,0|2,0,0]=4 2741 B15R1.16575 CCOc1ccc(c(c1F)F)C(=O)NC 1626a_100102657272_100000061936 [0,2,0,0,0,0|2,0,0]=4 2742 B15R1.16575 CCOc1ccc(c(c1F)F)C(=O)NC 240690a_100102657272_100000061936 [0,2,0,0,0,0|2,0,0]=4 2743 B15R1.16575 CCOc1ccc(c(c1F)F)C(=O)NC 527a_100102657272_100000061936 [0,2,0,0,0,0|2,0,0]=4 2744 B15R1.16575 CCOc1ccc(c(c1F)F)C(=O)OC 34a_100000101000_100000210202 [0,2,0,0,0,0|2,0,0]=4 2745 B15R1.16575 CCOc1ccc(c(c1F)F)C(=O)OC 7a_100000101000_100000210202 [0,2,0,0,0,0|2,0,0]=4 2746 B15R1.16575 CCSc1ccc(c(c1O)C)C(=O)OC 62a_100000210202_100010889012 [0,2,0,0,0,0|1,1,0]=4 2747 B15R1.16575 CCSc1ccc(c(c1O)C)C(=O)OC 62a_100010889012_100000210202 [0,2,0,0,0,0|1,1,0]=4 2748 B15R1.16575 CCSc1ccc(c(c1O)F)C(=O)OC 62a_100000210202_100011096176 [0,2,0,0,0,0|1,1,0]=4 2749 B15R1.16575 CCSc1ccc(c(c1O)F)C(=O)OC 62a_100011096176_100000210202 [0,2,0,0,0,0|1,1,0]=4 2750 B15R1.594 C=C=Cc1ccc(c(c1)OC)OC(C)C 271570a_100015277604_100012354883 [0,2,0,0,0,0|0,0,2]=4 2751 B15R1.594 C=CCc1ccc(c(c1)OC)OC(C)C 34a_100000181329_100000210206 [0,2,0,0,0,0|0,0,2]=4 2752 B15R1.594 CC=Cc1ccc(c(c1)C#N)OC(C)C 271570a_100016259895_200011290886 [0,2,0,0,0,0|1,0,0]=3 2753 B15R1.594 CC=Cc1ccc(c(c1)C=O)OC(C)C 271570a_100016259895_100000170028 [0,2,0,0,0,0|0,0,1]=3 2754 B15R1.594 CC=Cc1ccc(c(c1)C=O)OC(F)F 271570a_100016259895_100000179058 [0,2,0,0,0,0|1,0,1]=4 2755 B15R1.594 CC=Cc1ccc(c(c1)OC)NC(=O)C 271570a_100016259895_100009813048 [0,2,0,0,0,0|1,0,1]=4 2756 B15R1.594 CC=Cc1ccc(c(c1)OC)OC(C)C 271570a_100016259895_100012354883 [0,2,0,0,0,0|0,0,0]=2 2757 B15R1.594 CC=Cc1ccc(c(c1)OC)OC(C)C 34a_100015195088_100000210206 [0,2,0,0,0,0|0,0,0]=2 2758 B15R1.594 CCCc1ccc(c(c1)OC)OC(C)C 34a_100000012292_100000210206 [0,2,0,0,0,0|0,0,2]=4 2759 B15R1.594 CCCc1ccc(c(c1)OC)OC(C)C 7a_100000012292_100000210206 [0,2,0,0,0,0|0,0,2]=4 2760 B15R1.594 CCSc1ccc(c(c1)OC)OC(C)C 62a_100000210202_100012354883 [0,2,0,0,0,0|1,0,1]=4 2761 B15R1.594 CCSc1ccc(c(c1)OC)OC(C)C 62a_100012354883_100000210202 [0,2,0,0,0,0|1,0,1]=4 2762 B15R1.594 CNCc1ccc(c(c1)CO)OC(C)C 207a_100102657272_200000067369 [0,2,0,0,0,0|1,0,1]=4 2763 B15R1.594 CNCc1ccc(c(c1)CO)OC(C)C 270004a_106832991635_200000067369 [0,2,0,0,0,0|1,0,1]=4 2764 B15R1.594 CNCc1ccc(c(c1)OC)OC(C)C 207a_100102657272_100000169854 [0,2,0,0,0,0|1,0,1]=4 2765 B15R1.594 CNCc1ccc(c(c1)OC)OC(C)C 2230a_100000738442_200000210301 [0,2,0,0,0,0|1,0,1]=4 2766 B15R1.594 CNCc1ccc(c(c1)OC)OC(C)C 270004a_106832991635_100000169854 [0,2,0,0,0,0|1,0,1]=4 2767 B15R1.594 CNCc1ccc(c(c1)OC)OC(C)C 34a_100000738442_200000210301 [0,2,0,0,0,0|1,0,1]=4 2768 B15R1.594 COc1cc(ccc1OC(C)C)CN[13CH3] 2230a_100000738442_200025704644 [0,2,0,0,0,0|1,0,1]=4 2769 B15R1.594 COc1cc(ccc1OC(C)C)CN[13CH3] 34a_100000738442_200025704644 [0,2,0,0,0,0|1,0,1]=4 2770 B15R1.992 CCC(=O)c1ccc(c(c1)Br)OC(C)C 1458a_100000243735_100000210202 [0,2,0,0,0,0|1,0,1]=4 2771 B15R1.992 CCC(=O)c1ccc(c(c1)C)OC(C)C 1458a_200011734124_100000210202 [0,2,0,0,0,0|1,0,1]=4 2772 B15R1.992 CCC(=O)c1ccc(c(c1)Cl)OC(C)C 1458a_100011453123_100000210202 [0,2,0,0,0,0|1,0,1]=4 2773 B15R1.992 CCC(=O)c1ccc(c(c1)Cl)OC(C)C 34a_100011218862_100000210206 [0,2,0,0,0,0|1,0,1]=4 2774 B15R1.992 CCC(=O)c1ccc(c(c1)Cl)OC(C)C 7a_100011218862_100000210206 [0,2,0,0,0,0|1,0,1]=4 2775 B15R1.992 CCC(=O)c1ccc(c(c1)F)OC(C)C 1458a_200011234205_100000210202 [0,2,0,0,0,0|1,0,1]=4 2776 B15R1.992 CCC(=O)c1ccc(c(c1)I)OC(C)C 1458a_100012355715_100000210202 [0,2,0,0,0,0|1,0,1]=4 2777 B15R1.992 CCC(=O)c1ccc(c(c1)O)OC(F)F 1458a_100010441376_100000210202 [0,2,0,0,0,0|1,0,1]=4 2778 B15R1.992 CNC(=O)c1ccc(c(c1)Br)OC(C)C 11a_106832991635_100000243735 [0,2,0,0,0,0|2,0,0]=4 2779 B15R1.992 CNC(=O)c1ccc(c(c1)Br)OC(C)C 1626a_100102657272_100000243735 [0,2,0,0,0,0|2,0,0]=4 2780 B15R1.992 CNC(=O)c1ccc(c(c1)Br)OC(C)C 240690a_100102657272_100000243735 [0,2,0,0,0,0|2,0,0]=4 2781 B15R1.992 CNC(=O)c1ccc(c(c1)Br)OC(C)C 527a_100102657272_100000243735 [0,2,0,0,0,0|2,0,0]=4 2782 B15R1.992 CNC(=O)c1ccc(c(c1)C)OC(C)C 11a_106832991635_200011734124 [0,2,0,0,0,0|2,0,0]=4 2783 B15R1.992 CNC(=O)c1ccc(c(c1)C)OC(C)C 1626a_100102657272_200011734124 [0,2,0,0,0,0|2,0,0]=4 2784 B15R1.992 CNC(=O)c1ccc(c(c1)C)OC(C)C 240690a_100102657272_200011734124 [0,2,0,0,0,0|2,0,0]=4 2785 B15R1.992 CNC(=O)c1ccc(c(c1)C)OC(C)C 527a_100102657272_200011734124 [0,2,0,0,0,0|2,0,0]=4 2786 B15R1.992 CNC(=O)c1ccc(c(c1)Cl)OC(C)C 11a_106832991635_100011453123 [0,2,0,0,0,0|2,0,0]=4 2787 B15R1.992 CNC(=O)c1ccc(c(c1)Cl)OC(C)C 1626a_100102657272_100011453123 [0,2,0,0,0,0|2,0,0]=4 2788 B15R1.992 CNC(=O)c1ccc(c(c1)Cl)OC(C)C 240690a_100102657272_100011453123 [0,2,0,0,0,0|2,0,0]=4 2789 B15R1.992 CNC(=O)c1ccc(c(c1)Cl)OC(C)C 527a_100102657272_100011453123 [0,2,0,0,0,0|2,0,0]=4 2790 B15R1.992 CNC(=O)c1ccc(c(c1)F)OC(C)C 11a_106832991635_200011234205 [0,2,0,0,0,0|2,0,0]=4 2791 B15R1.992 CNC(=O)c1ccc(c(c1)F)OC(C)C 1626a_100102657272_200011234205 [0,2,0,0,0,0|2,0,0]=4 2792 B15R1.992 CNC(=O)c1ccc(c(c1)F)OC(C)C 240690a_100102657272_200011234205 [0,2,0,0,0,0|2,0,0]=4 2793 B15R1.992 CNC(=O)c1ccc(c(c1)F)OC(C)C 527a_100102657272_200011234205 [0,2,0,0,0,0|2,0,0]=4 2794 B15R1.992 CNC(=O)c1ccc(c(c1)I)OC(C)C 11a_106832991635_100012355715 [0,2,0,0,0,0|2,0,0]=4 2795 B15R1.992 CNC(=O)c1ccc(c(c1)I)OC(C)C 1626a_100102657272_100012355715 [0,2,0,0,0,0|2,0,0]=4 2796 B15R1.992 CNC(=O)c1ccc(c(c1)I)OC(C)C 240690a_100102657272_100012355715 [0,2,0,0,0,0|2,0,0]=4 2797 B15R1.992 CNC(=O)c1ccc(c(c1)I)OC(C)C 527a_100102657272_100012355715 [0,2,0,0,0,0|2,0,0]=4 2798 B15R1.992 CNC(=O)c1ccc(c(c1)O)OC(F)F 240690a_100102657272_100010441376 [0,2,0,0,0,0|2,0,0]=4 2799 B15R1.992 CNC(=O)c1ccc(c(c1)O)OC(F)F 527a_100102657272_100010441376 [0,2,0,0,0,0|2,0,0]=4 2800 B15R1.992 COC(=O)c1ccc(c(c1)Br)OC(C)C 34a_100000216328_100000210206 [0,2,0,0,0,0|2,0,0]=4 2801 B15R1.992 COC(=O)c1ccc(c(c1)Br)OC(C)C 7a_100000216328_100000210206 [0,2,0,0,0,0|2,0,0]=4 2802 B15R1.992 COC(=O)c1ccc(c(c1)C)OC(C)C 34a_100011997373_100000210206 [0,2,0,0,0,0|2,0,0]=4 2803 B15R1.992 COC(=O)c1ccc(c(c1)C)OC(C)C 7a_100011997373_100000210206 [0,2,0,0,0,0|2,0,0]=4 2804 B15R1.992 COC(=O)c1ccc(c(c1)Cl)OC(C)C 34a_100000151454_100000210206 [0,2,0,0,0,0|2,0,0]=4 2805 B15R1.992 COC(=O)c1ccc(c(c1)Cl)OC(C)C 7a_100000151454_100000210206 [0,2,0,0,0,0|2,0,0]=4 2806 B15R1.992 COC(=O)c1ccc(c(c1)F)OC(C)C 34a_100000075456_100000210206 [0,2,0,0,0,0|2,0,0]=4 2807 B15R1.992 COC(=O)c1ccc(c(c1)F)OC(C)C 7a_100000075456_100000210206 [0,2,0,0,0,0|2,0,0]=4 2808 B15R1.992 COC(=O)c1ccc(c(c1)I)OC(C)C 34a_100010162523_100000210206 [0,2,0,0,0,0|2,0,0]=4 2809 B15R1.992 COC(=O)c1ccc(c(c1)I)OC(C)C 7a_100010162523_100000210206 [0,2,0,0,0,0|2,0,0]=4 2810 B15R1.992 COC(=O)c1ccc(c(c1)N)OC(C)C 34a_100000724433_100000210206 [0,2,0,0,0,0|2,0,0]=4 2811 B15R1.992 COC(=O)c1ccc(c(c1)N)OC(C)C 7a_100000724433_100000210206 [0,2,0,0,0,0|2,0,0]=4 2812 B15R1.992 COC(=O)c1ccc(c(c1)O)NC(C)C 271570a_203496583355_200150719270 [0,2,0,0,0,0|2,0,0]=4 2813 B15R1.992 COC(=O)c1ccc(c(c1)O)OC(C)C 271570a_203496583355_100011213288 [0,2,0,0,0,0|1,0,0]=3 2814 B15R1.992 COC(=O)c1ccc(c(c1)O)OC(F)F 271570a_203496583355_200012360136 [0,2,0,0,0,0|2,0,0]=4 2815 B15R1.992 COC(=O)c1ccc(c(c1)O)SC(C)C 62a_100000210206_100012350776 [0,2,0,0,0,0|1,1,0]=4 2816 B15R1.992 COC(=O)c1ccc(c(c1)O)SC(C)C 62a_100012350776_100000210206 [0,2,0,0,0,0|1,1,0]=4 2817 B15R1.3687 CC=Cc1cc(c(c(c1)C)OC(=O)C)C 271570a_100016259895_200009816532 [0,2,0,0,0,0|1,0,1]=4 2818 B15R1.3687 CC=Cc1cc(c(c(c1)F)OC(C)C)F 271570a_100016259895_100010078532 [0,2,0,0,0,0|1,0,0]=3 2819 B15R1.3687 CC=Cc1cc(c(c(c1)F)OC(F)F)F 271570a_100016259895_200010090143 [0,2,0,0,0,0|2,0,0]=4 2820 B15R1.9636 CC=Cc1ccc(c(c1)O)CC(=O)OC 271570a_100016259895_100010150832 [0,2,0,0,0,0|1,0,1]=4 2821 B15R1.9644 CC=Cc1ccc(c(c1)Br)OC(F)(F)F 271570a_100016259895_100010150356 [0,2,0,0,0,0|2,0,0]=4 2822 B15R1.9644 CC=Cc1ccc(c(c1)C)OC(F)(F)F 271570a_100016259895_100009816011 [0,2,0,0,0,0|2,0,0]=4 2823 B15R1.9644 CC=Cc1ccc(c(c1)F)OC(F)(F)F 271570a_100016259895_100009813777 [0,2,0,0,0,0|2,0,0]=4 2824 B15R1.9644 CC=Cc1ccc(c(c1)N)OC(F)(F)F 271570a_100016259895_100011218167 [0,2,0,0,0,0|2,0,0]=4 2825 B15R1.9644 CC=Cc1ccc(c(c1)O)OC(F)(F)F 271570a_100016259895_200010281515 [0,2,0,0,0,0|1,0,0]=3 2826 B15R1.1197 C/C=C/CNc1ccc(c(c1)Cl)OCC 34a_100000741444_100102629194 [0,2,0,0,0,0|1,0,0]=3 2827 B15R1.1197 C/C=C/CNc1ccc(c(c1)Cl)OCC 7a_100000741444_100102629194 [0,2,0,0,0,0|1,0,0]=3 2828 B15R1.1197 C/C=C/COc1ccc(c(c1)F)OCC 34a_100012771078_100102629194 [0,2,0,0,0,0|1,0,0]=3 2829 B15R1.1197 C/C=C/COc1ccc(c(c1)F)OCC 7a_100012771078_100102629194 [0,2,0,0,0,0|1,0,0]=3 2830 B15R1.1197 C/C=C/CSc1ccc(c(c1)C)OCC 62a_100011308936_100102629194 [0,2,0,0,0,0|1,0,0]=3 2831 B15R1.1197 C/C=C/CSc1ccc(c(c1)C)OCC 62a_100102629194_100011308936 [0,2,0,0,0,0|1,0,0]=3 2832 B15R1.1197 C/C=C/CSc1ccc(c(c1)F)OCC 62a_100102629194_200000171753 [0,2,0,0,0,0|1,0,0]=3 2833 B15R1.1197 C/C=C/CSc1ccc(c(c1)F)OCC 62a_200000171753_100102629194 [0,2,0,0,0,0|1,0,0]=3 2834 B15R1.1197 C/C=C/CSc1ccc(c(c1)N)OCC 62a_100000751366_100102629194 [0,2,0,0,0,0|1,0,0]=3 2835 B15R1.1197 C/C=C/CSc1cnc(c(c1)C)OCC 62a_100012351028_100102629194 [0,2,0,0,0,0|2,0,0]=4 2836 B15R1.1197 C/C=C/CSc1cnc(c(c1)C)OCC 62a_100102629194_100012351028 [0,2,0,0,0,0|2,0,0]=4 2837 B15R1.1197 C/C=C/CSc1cnc(c(c1)N)OCC 62a_100011433076_100102629194 [0,2,0,0,0,0|2,0,0]=4 2838 B15R1.1197 C/C=C/CSc1cnc(c(c1)N)OCC 62a_100102629194_100011433076 [0,2,0,0,0,0|2,0,0]=4 2839 B15R1.1197 CC=CCNc1ccc(c(c1)Cl)OCC 2230a_100000741444_100000070051 [0,2,0,0,0,0|1,0,0]=3 2840 B15R1.1197 CC=CCNc1ccc(c(c1)Cl)OCC 34a_100000741444_100000070051 [0,2,0,0,0,0|1,0,0]=3 2841 B15R1.1197 CC=CCNc1ccc(c(c1)Cl)OCC 7a_100000741444_100000070051 [0,2,0,0,0,0|1,0,0]=3 2842 B15R1.1197 CC=CCOc1ccc(c(c1)F)OCC 34a_100012771078_100000070051 [0,2,0,0,0,0|1,0,0]=3 2843 B15R1.1197 CC=CCOc1ccc(c(c1)F)OCC 7a_100012771078_100000070051 [0,2,0,0,0,0|1,0,0]=3 2844 B15R1.1197 CC=CCSc1ccc(c(c1)C)OCC 62a_100000070051_100011308936 [0,2,0,0,0,0|1,0,0]=3 2845 B15R1.1197 CC=CCSc1ccc(c(c1)C)OCC 62a_100011308936_100000070051 [0,2,0,0,0,0|1,0,0]=3 2846 B15R1.1197 CC=CCSc1ccc(c(c1)F)OCC 62a_100000070051_200000171753 [0,2,0,0,0,0|1,0,0]=3 2847 B15R1.1197 CC=CCSc1ccc(c(c1)F)OCC 62a_200000171753_100000070051 [0,2,0,0,0,0|1,0,0]=3 2848 B15R1.1197 CC=CCSc1ccc(c(c1)N)OCC 62a_100000751366_100000070051 [0,2,0,0,0,0|1,0,0]=3 2849 B15R1.1197 CC=CCSc1cnc(c(c1)C)OCC 62a_100000070051_100012351028 [0,2,0,0,0,0|2,0,0]=4 2850 B15R1.1197 CC=CCSc1cnc(c(c1)C)OCC 62a_100012351028_100000070051 [0,2,0,0,0,0|2,0,0]=4 2851 B15R1.1197 CC=CCSc1cnc(c(c1)N)OCC 62a_100000070051_100011433076 [0,2,0,0,0,0|2,0,0]=4 2852 B15R1.1197 CC=CCSc1cnc(c(c1)N)OCC 62a_100011433076_100000070051 [0,2,0,0,0,0|2,0,0]=4 2853 B15R1.1197 CCCC=Cc1ccc(c(c1)C)OCC 271570a_100016258520_100011308936 [0,2,0,0,0,0|1,0,0]=3 2854 B15R1.1197 CCCC=Cc1ccc(c(c1)F)OCC 271570a_100016258520_200000171753 [0,2,0,0,0,0|1,0,0]=3 2855 B15R1.1197 CCCC=Cc1ccc(c(c1)N)OCC 271570a_100016258520_100000751366 [0,2,0,0,0,0|1,0,0]=3 2856 B15R1.1197 CCCC=Cc1cnc(c(c1)C)OCC 271570a_100016258520_100012351028 [0,2,0,0,0,0|2,0,0]=4 2857 B15R1.1197 CCCC=Cc1cnc(c(c1)N)OCC 271570a_100016258520_100011433076 [0,2,0,0,0,0|2,0,0]=4 2858 B15R1.1197 CCNN=Cc1ccc(c(c1)Br)OCC 4a_100000756455_100000173028 [0,2,0,0,0,0|1,0,1]=4 2859 B15R1.1197 CCNN=Cc1ccc(c(c1)C)OCC 4a_100000756455_100012017204 [0,2,0,0,0,0|1,0,1]=4 2860 B15R1.1197 CCNN=Cc1ccc(c(c1)Cl)OCC 4a_100000756455_200000188301 [0,2,0,0,0,0|1,0,1]=4 2861 B15R1.1197 CCNN=Cc1ccc(c(c1)I)OCC 4a_100000756455_200000123116 [0,2,0,0,0,0|1,0,1]=4 2862 B15R1.1197 CCOC=Cc1ccc(c(c1)C)OCC 271570a_100016256518_100011308936 [0,2,0,0,0,0|1,0,0]=3 2863 B15R1.1197 CCOC=Cc1ccc(c(c1)F)OCC 271570a_100016256518_200000171753 [0,2,0,0,0,0|1,0,0]=3 2864 B15R1.1197 CCOC=Cc1ccc(c(c1)N)OCC 271570a_100016256518_100000751366 [0,2,0,0,0,0|1,0,0]=3 2865 B15R1.1197 CCOC=Cc1cnc(c(c1)C)OCC 271570a_100016256518_100012351028 [0,2,0,0,0,0|2,0,0]=4 2866 B15R1.1197 CCOC=Cc1cnc(c(c1)N)OCC 271570a_100016256518_100011433076 [0,2,0,0,0,0|2,0,0]=4 2867 B15R1.1197 CCOc1ccc(cc1C)C=CCOC 271570a_100016286323_100011308936 [0,2,0,0,0,0|1,0,0]=3 2868 B15R1.1197 CCOc1ccc(cc1F)C=CCOC 271570a_100016286323_200000171753 [0,2,0,0,0,0|1,0,0]=3 2869 B15R1.1197 CCOc1ccc(cc1N)C=CCOC 271570a_100016286323_100000751366 [0,2,0,0,0,0|1,0,0]=3 2870 B15R1.1197 CCOc1ncc(cc1C)C=CCOC 271570a_100016286323_100012351028 [0,2,0,0,0,0|2,0,0]=4 2871 B15R1.1197 CCOc1ncc(cc1N)C=CCOC 271570a_100016286323_100011433076 [0,2,0,0,0,0|2,0,0]=4 2872 B15R1.5628 C=CCC(=O)c1ccc(c(c1)Br)OCC 1458a_100000230806_100000210623 [0,2,0,0,0,0|1,0,1]=4 2873 B15R1.5628 C=CCC(=O)c1ccc(c(c1)Cl)OCC 1458a_100000230665_100000210623 [0,2,0,0,0,0|1,0,1]=4 2874 B15R1.5628 CCCC(=O)c1ccc(c(c1)Br)OCC 1458a_100000230806_100000210303 [0,2,0,0,0,0|1,0,1]=4 2875 B15R1.5628 CCCC(=O)c1ccc(c(c1)Cl)OCC 1458a_100000230665_100000210303 [0,2,0,0,0,0|1,0,1]=4 2876 B15R1.5628 CCNC(=O)c1ccc(c(c1)Br)OCC 11a_100015525214_100000230806 [0,2,0,0,0,0|1,0,1]=4 2877 B15R1.5628 CCNC(=O)c1ccc(c(c1)Br)OCC 240690a_100015525214_100000230806 [0,2,0,0,0,0|1,0,1]=4 2878 B15R1.5628 CCNC(=O)c1ccc(c(c1)Br)OCC 527a_100015525214_100000230806 [0,2,0,0,0,0|1,0,1]=4 2879 B15R1.5628 CCNC(=O)c1ccc(c(c1)Cl)OCC 11a_100015525214_100000230665 [0,2,0,0,0,0|1,0,1]=4 2880 B15R1.5628 CCNC(=O)c1ccc(c(c1)Cl)OCC 240690a_100015525214_100000230665 [0,2,0,0,0,0|1,0,1]=4 2881 B15R1.5628 CCNC(=O)c1ccc(c(c1)Cl)OCC 527a_100015525214_100000230665 [0,2,0,0,0,0|1,0,1]=4 2882 B15R1.5628 CCOC(=O)c1ccc(c(c1)Br)OCC 7a_100009812659_100000210202 [0,2,0,0,0,0|1,0,1]=4 2883 B15R1.5628 CCOC(=O)c1ccc(c(c1)F)OCC 34a_200000082637_100000210202 [0,2,0,0,0,0|1,0,1]=4 2884 B15R1.5628 CCOC(=O)c1ccc(c(c1)F)OCC 7a_200000082637_100000210202 [0,2,0,0,0,0|1,0,1]=4 2885 B15R1.5628 CCOC(=O)c1ccc(c(c1)I)OCC 7a_200010236255_100000210202 [0,2,0,0,0,0|1,0,1]=4 2886 B15R1.5628 CCOC(=O)c1ccc(c(c1)N)OCC 7a_100011450745_100000210202 [0,2,0,0,0,0|1,0,1]=4 2887 B15R1.5628 CCOC(=O)c1ccc(c(c1)O)OCC 271570a_203496583355_200000243791 [0,2,0,0,0,0|0,0,1]=3 2888 B15R1.5628 CCOC(=O)c1ccc(c(c1)O)SCC 62a_100000210202_100012355281 [0,2,0,0,0,0|0,1,1]=4 2889 B15R1.5628 CCOc1ccc(cc1Br)C(=O)CCF 1458a_100000230806_100011217306 [0,2,0,0,0,0|1,0,1]=4 2890 B15R1.5628 CCOc1ccc(cc1Br)C(=O)CCO 1458a_100000230806_100000211926 [0,2,0,0,0,0|1,0,1]=4 2891 B15R1.5628 CCOc1ccc(cc1Br)C(=O)NNC 22a_100016993582_100000230806 [0,2,0,0,0,0|2,0,0]=4 2892 B15R1.5628 CCOc1ccc(cc1Cl)C(=O)CCF 1458a_100000230665_100011217306 [0,2,0,0,0,0|1,0,1]=4 2893 B15R1.5628 CCOc1ccc(cc1Cl)C(=O)CCO 1458a_100000230665_100000211926 [0,2,0,0,0,0|1,0,1]=4 2894 B15R1.5628 CCOc1ccc(cc1Cl)C(=O)NNC 22a_100016993582_100000230665 [0,2,0,0,0,0|2,0,0]=4 2895 B15R1.9550 C=C(C)CNc1ccc(c(c1)Cl)OCC 2230a_100000741444_100000748629 [0,2,0,0,0,0|1,0,1]=4 2896 B15R1.9550 C=C(C)CNc1ccc(c(c1)Cl)OCC 34a_100000741444_100000748629 [0,2,0,0,0,0|1,0,1]=4 2897 B15R1.9550 C=C(C)CNc1ccc(c(c1)Cl)OCC 7a_100000741444_100000748629 [0,2,0,0,0,0|1,0,1]=4 2898 B15R1.9550 C=C(C)COc1ccc(c(c1)F)OCC 34a_100012771078_100000748629 [0,2,0,0,0,0|1,0,1]=4 2899 B15R1.9550 C=C(C)COc1ccc(c(c1)F)OCC 7a_100012771078_100000748629 [0,2,0,0,0,0|1,0,1]=4 2900 B15R1.9550 C=C(C)CSc1ccc(c(c1)C)OCC 62a_100000748629_100011308936 [0,2,0,0,0,0|1,0,1]=4 2901 B15R1.9550 C=C(C)CSc1ccc(c(c1)C)OCC 62a_100011308936_100000211660 [0,2,0,0,0,0|1,0,1]=4 2902 B15R1.9550 C=C(C)CSc1ccc(c(c1)F)OCC 62a_100000748629_200000171753 [0,2,0,0,0,0|1,0,1]=4 2903 B15R1.9550 C=C(C)CSc1ccc(c(c1)F)OCC 62a_200000171753_100000211660 [0,2,0,0,0,0|1,0,1]=4 2904 B15R1.9550 C=C(C)CSc1ccc(c(c1)N)OCC 62a_100000751366_100000211660 [0,2,0,0,0,0|1,0,1]=4 2905 B15R1.9550 CCOc1ccc(cc1C)C=CC(C)C 271570a_100016257149_100011308936 [0,2,0,0,0,0|1,0,0]=3 2906 B15R1.9550 CCOc1ccc(cc1C)C=CC(C)O 271570a_200011019289_100011308936 [0,2,0,0,0,0|1,0,0]=3 2907 B15R1.9550 CCOc1ccc(cc1F)C=CC(C)C 271570a_100016257149_200000171753 [0,2,0,0,0,0|1,0,0]=3 2908 B15R1.9550 CCOc1ccc(cc1F)C=CC(C)O 271570a_200011019289_200000171753 [0,2,0,0,0,0|1,0,0]=3 2909 B15R1.9550 CCOc1ccc(cc1N)C=CC(C)C 271570a_100016257149_100000751366 [0,2,0,0,0,0|1,0,0]=3 2910 B15R1.9550 CCOc1ccc(cc1N)C=CC(C)O 271570a_200011019289_100000751366 [0,2,0,0,0,0|1,0,0]=3 2911 B15R1.9550 CCOc1ncc(cc1C)C=CC(C)C 271570a_100016257149_100012351028 [0,2,0,0,0,0|2,0,0]=4 2912 B15R1.9550 CCOc1ncc(cc1C)C=CC(C)O 271570a_200011019289_100012351028 [0,2,0,0,0,0|2,0,0]=4 2913 B15R1.9550 CCOc1ncc(cc1N)C=CC(C)C 271570a_100016257149_100011433076 [0,2,0,0,0,0|2,0,0]=4 2914 B15R1.9550 CCOc1ncc(cc1N)C=CC(C)O 271570a_200011019289_100011433076 [0,2,0,0,0,0|2,0,0]=4 2915 B15R1.12140 C=CCNc1ccc(c(c1)OC)OCC 2230a_100000184985_100000210623 [0,2,0,0,0,0|0,0,2]=4 2916 B15R1.12140 C=CCNc1ccc(c(c1)OC)OCC 34a_100000184985_100015514636 [0,2,0,0,0,0|0,0,2]=4 2917 B15R1.12140 CCCCc1ccc(c(c1)OC)OCC 271570a_100020621405_200012344064 [0,2,0,0,0,0|0,0,2]=4 2918 B15R1.12140 CCCNc1ccc(c(c1)OC)OCC 2230a_100000184985_100000210303 [0,2,0,0,0,0|0,0,2]=4 2919 B15R1.12140 CCCNc1ccc(c(c1)OC)OCC 34a_100000184985_100000210303 [0,2,0,0,0,0|0,0,2]=4 2920 B15R1.12140 CCNCc1ccc(c(c1)CO)OCC 207a_100015525214_100000051005 [0,2,0,0,0,0|0,0,2]=4 2921 B15R1.12140 CCNCc1ccc(c(c1)CO)OCC 270004a_100015525214_100000051005 [0,2,0,0,0,0|0,0,2]=4 2922 B15R1.12140 CCNCc1ccc(c(c1)OC)OCC 207a_100015525214_100000169853 [0,2,0,0,0,0|0,0,2]=4 2923 B15R1.12140 CCNCc1ccc(c(c1)OC)OCC 2230a_200000739100_100000210202 [0,2,0,0,0,0|0,0,2]=4 2924 B15R1.12140 CCNCc1ccc(c(c1)OC)OCC 270004a_100015525214_100000169853 [0,2,0,0,0,0|0,0,2]=4 2925 B15R1.12140 CCNCc1ccc(c(c1)OC)OCC 34a_200000739100_100000210202 [0,2,0,0,0,0|0,0,2]=4 2926 B15R1.12140 CCOCc1ccc(c(c1)OC)OCC 34a_100000083705_100000210202 [0,2,0,0,0,0|0,0,2]=4 2927 B15R1.12140 CCOCc1ccc(c(c1)OC)OCC 34a_100000184821_100000210202 [0,2,0,0,0,0|0,0,2]=4 2928 B15R1.12140 CCOCc1ccc(c(c1)OC)OCC 7a_100000083705_100000210202 [0,2,0,0,0,0|0,0,2]=4 2929 B15R1.12140 CCOc1ccc(cc1OC)/C=C\CO 34a_100016294963_100000210202 [0,2,0,0,0,0|0,0,0]=2 2930 B15R1.12140 CCOc1ccc(cc1OC)CCCO 34a_100000060467_100000210202 [0,2,0,0,0,0|0,0,2]=4 2931 B15R1.12140 CCOc1ccc(cc1OC)CCCO 7a_100000060467_100000210202 [0,2,0,0,0,0|0,0,2]=4 2932 B15R1.12140 CCOc1ccc(cc1OC)CCNC 2230a_100011371731_200000210301 [0,2,0,0,0,0|0,0,2]=4 2933 B15R1.12140 CCOc1ccc(cc1OC)CCNC 34a_100011371731_200000210301 [0,2,0,0,0,0|0,0,2]=4 2934 B15R1.12140 CCOc1ccc(cc1OC)CCN[13CH3] 2230a_100011371731_200025704644 [0,2,0,0,0,0|0,0,2]=4 2935 B15R1.12140 CCOc1ccc(cc1OC)CCN[13CH3] 34a_100011371731_200025704644 [0,2,0,0,0,0|0,0,2]=4 2936 B15R1.12140 CCOc1ccc(cc1OC)CNCF 34a_200000739100_100015361967 [0,2,0,0,0,0|1,0,1]=4 2937 B15R1.12140 CCOc1ccc(cc1OC)COCF 34a_100000184821_100015361967 [0,2,0,0,0,0|1,0,1]=4 2938 B15R1.12140 CCOc1ccc(cc1OC)NCC=O 2230a_100000184985_200015260668 [0,2,0,0,0,0|1,0,1]=4 2939 B15R1.12140 CCOc1ccc(cc1OC)NCC=O 34a_100000184985_200009817547 [0,2,0,0,0,0|1,0,1]=4 2940 B15R1.12140 CCOc1ccc(cc1OC)NCCF 2230a_100000184985_100011217306 [0,2,0,0,0,0|1,0,1]=4 2941 B15R1.12140 CCOc1ccc(cc1OC)NCCF 34a_100000184985_100011217306 [0,2,0,0,0,0|1,0,1]=4 2942 B15R1.12140 CCOc1ccc(cc1OC)NCCO 2230a_100000184985_100000211926 [0,2,0,0,0,0|1,0,1]=4 2943 B15R1.12140 CCOc1ccc(cc1OC)NCCO 34a_100000184985_100000211926 [0,2,0,0,0,0|1,0,1]=4 2944 B15R1.12140 CCOc1ccc(cc1OC)NCOC 2230a_100000184985_100000766300 [0,2,0,0,0,0|1,0,1]=4 2945 B15R1.12140 CCOc1ccc(cc1OC)NCSC 2230a_100000184985_100011218213 [0,2,0,0,0,0|1,0,1]=4 2946 B15R1.12140 CCOc1ccc(cc1OC)NCSC 34a_100000184985_100011218213 [0,2,0,0,0,0|1,0,1]=4 2947 B15R1.12140 CNCc1ccc(cc1OC)/C=C\CO 26a_100102657272_100016294963 [0,2,0,0,0,0|2,0,0]=4 2948 B15R1.12140 COc1cc(ccc1OCF)/C=C\CO 34a_100016294963_100015361967 [0,2,0,0,0,0|1,0,0]=3 2949 B15R1.38110 CC=Cc1cc(c(cc1C)OCOC)F 271570a_100016259895_202517114884 [0,2,0,0,0,0|1,0,0]=3 2950 B15R1.38110 CC=Cc1cc(c(cc1F)NCCC)N 271570a_100016259895_200012411973 [0,2,0,0,0,0|2,0,0]=4 2951 B15R1.38110 CC=Cc1cc(c(cc1F)OCOC)F 271570a_100016259895_200135144590 [0,2,0,0,0,0|1,0,0]=3 2952 B15R1.2079 CC=Cc1cnc(c(c1)C)OCCCC 271570a_100016259895_200012348857 [0,2,0,0,0,0|2,0,0]=4 2953 B15R1.10883 C#CCOc1ccc(cc1OC)C=CC 34a_100015195088_100000184674 [0,2,0,0,0,0|0,0,1]=3 2954 B15R1.10883 C=C=Cc1ccc(c(c1)CO)OCCC 271570a_100015277604_100000701504 [0,2,0,0,0,0|0,0,2]=4 2955 B15R1.10883 C=C=Cc1ccc(c(c1)OC)OCCO 271570a_100015277604_100012347953 [0,2,0,0,0,0|0,0,2]=4 2956 B15R1.10883 C=CCOc1ccc(cc1OC)C=CC 34a_100015195088_100015514636 [0,2,0,0,0,0|0,0,1]=3 2957 B15R1.10883 C=CCc1ccc(c(c1)OC)OCCC 34a_100000181329_100000210303 [0,2,0,0,0,0|0,0,2]=4 2958 B15R1.10883 C=CCc1ccc(c(c1)OC)OCCF 34a_100000181329_100011217306 [0,2,0,0,0,0|0,0,2]=4 2959 B15R1.10883 C=CCc1ccc(c(c1)OC)OCCO 34a_100000181329_100000211926 [0,2,0,0,0,0|0,0,2]=4 2960 B15R1.10883 C=CCc1ccc(c(c1)OC)OCSC 34a_100000181329_100011218213 [0,2,0,0,0,0|0,0,2]=4 2961 B15R1.10883 CC=Cc1ccc(c(c1)C#N)OCCC 271570a_100016259895_100000689707 [0,2,0,0,0,0|1,0,0]=3 2962 B15R1.10883 CC=Cc1ccc(c(c1)C=O)OCCC 271570a_100016259895_100000170029 [0,2,0,0,0,0|0,0,1]=3 2963 B15R1.10883 CC=Cc1ccc(c(c1)C=O)OCOC 271570a_100016259895_100012265701 [0,2,0,0,0,0|0,0,1]=3 2964 B15R1.10883 CC=Cc1ccc(c(c1)CO)OCCC 271570a_100016259895_100000701504 [0,2,0,0,0,0|0,0,0]=2 2965 B15R1.10883 CC=Cc1ccc(c(c1)OC)OCC=O 34a_100015195088_200009817547 [0,2,0,0,0,0|0,0,1]=3 2966 B15R1.10883 CC=Cc1ccc(c(c1)OC)OCCC 34a_100015195088_100000210303 [0,2,0,0,0,0|0,0,0]=2 2967 B15R1.10883 CC=Cc1ccc(c(c1)OC)OCCF 34a_100015195088_100011217306 [0,2,0,0,0,0|0,0,0]=2 2968 B15R1.10883 CC=Cc1ccc(c(c1)OC)OCCO 271570a_100016259895_100012347953 [0,2,0,0,0,0|0,0,0]=2 2969 B15R1.10883 CC=Cc1ccc(c(c1)OC)OCCO 34a_100015195088_100000211926 [0,2,0,0,0,0|0,0,0]=2 2970 B15R1.10883 CC=Cc1ccc(c(c1)OC)OCSC 34a_100015195088_100011218213 [0,2,0,0,0,0|0,0,0]=2 2971 B15R1.10883 CCCOc1ccc(cc1CO)CNC 207a_100102657272_100000050529 [0,2,0,0,0,0|1,0,1]=4 2972 B15R1.10883 CCCOc1ccc(cc1CO)CNC 270004a_106832991635_100000050529 [0,2,0,0,0,0|1,0,1]=4 2973 B15R1.10883 CCCOc1ccc(cc1CO)SCC 62a_100000210202_100000701504 [0,2,0,0,0,0|1,0,1]=4 2974 B15R1.10883 CCCOc1ccc(cc1CO)SCC 62a_100000701504_100000210202 [0,2,0,0,0,0|1,0,1]=4 2975 B15R1.10883 CCCOc1ccc(cc1OC)CCC 34a_100000012292_100000210303 [0,2,0,0,0,0|0,0,2]=4 2976 B15R1.10883 CCCOc1ccc(cc1OC)CCC 7a_100000012292_100000210303 [0,2,0,0,0,0|0,0,2]=4 2977 B15R1.10883 CCCOc1ccc(cc1OC)CNC 207a_100102657272_100000169855 [0,2,0,0,0,0|1,0,1]=4 2978 B15R1.10883 CCCOc1ccc(cc1OC)CNC 270004a_106832991635_100000169855 [0,2,0,0,0,0|1,0,1]=4 2979 B15R1.10883 CCCOc1ccc(cc1OC)CNC 34a_100000738441_200000210301 [0,2,0,0,0,0|1,0,1]=4 2980 B15R1.10883 CCCOc1ccc(cc1OC)CN[13CH3] 34a_100000738441_200025704644 [0,2,0,0,0,0|1,0,1]=4 2981 B15R1.10883 CCCOc1ccc(cc1OC)NCC 34a_100011611390_100000210202 [0,2,0,0,0,0|1,0,1]=4 2982 B15R1.10883 CCCc1ccc(c(c1)OC)OCCF 34a_100000012292_100011217306 [0,2,0,0,0,0|0,0,2]=4 2983 B15R1.10883 CCCc1ccc(c(c1)OC)OCCF 7a_100000012292_100011217306 [0,2,0,0,0,0|0,0,2]=4 2984 B15R1.10883 CCCc1ccc(c(c1)OC)OCCO 34a_100000012292_100000211926 [0,2,0,0,0,0|0,0,2]=4 2985 B15R1.10883 CCCc1ccc(c(c1)OC)OCCO 7a_100000012292_100000211926 [0,2,0,0,0,0|0,0,2]=4 2986 B15R1.10883 CCCc1ccc(c(c1)OC)OCSC 34a_100000012292_100011218213 [0,2,0,0,0,0|0,0,2]=4 2987 B15R1.10883 CCSc1ccc(c(c1)OC)OCCO 62a_100000210202_100012347953 [0,2,0,0,0,0|1,0,1]=4 2988 B15R1.10883 CCSc1ccc(c(c1)OC)OCCO 62a_100012347953_100000210202 [0,2,0,0,0,0|1,0,1]=4 2989 B15R1.12061 CCC(=O)c1ccc(c(c1)Cl)OCCF 34a_100011218862_100011217306 [0,2,0,0,0,0|1,0,1]=4 2990 B15R1.12061 CCC(=O)c1ccc(c(c1)Cl)OCCF 7a_100011218862_100011217306 [0,2,0,0,0,0|1,0,1]=4 2991 B15R1.12061 CCC(=O)c1ccc(c(c1)Cl)OCCO 34a_100011218862_100000211926 [0,2,0,0,0,0|1,0,1]=4 2992 B15R1.12061 CCC(=O)c1ccc(c(c1)Cl)OCCO 7a_100011218862_100000211926 [0,2,0,0,0,0|1,0,1]=4 2993 B15R1.12061 CCC(=O)c1ccc(c(c1)Cl)OCSC 34a_100011218862_100011218213 [0,2,0,0,0,0|1,0,1]=4 2994 B15R1.12061 CCCCc1ccc(cc1O)C(=O)OC 271570a_100020621405_100012350776 [0,2,0,0,0,0|2,0,0]=4 2995 B15R1.12061 CCCOc1ccc(cc1Br)C(=O)OC 34a_100000216328_100000210303 [0,2,0,0,0,0|2,0,0]=4 2996 B15R1.12061 CCCOc1ccc(cc1Br)C(=O)OC 7a_100000216328_100000210303 [0,2,0,0,0,0|2,0,0]=4 2997 B15R1.12061 CCCOc1ccc(cc1C)C(=O)OC 34a_100011997373_100000210303 [0,2,0,0,0,0|2,0,0]=4 2998 B15R1.12061 CCCOc1ccc(cc1C)C(=O)OC 7a_100011997373_100000210303 [0,2,0,0,0,0|2,0,0]=4 2999 B15R1.12061 CCCOc1ccc(cc1Cl)C(=O)CC 1458a_100000217228_100000210202 [0,2,0,0,0,0|1,0,1]=4 3000 B15R1.12061 CCCOc1ccc(cc1Cl)C(=O)CC 34a_100011218862_100000210303 [0,2,0,0,0,0|1,0,1]=4 3001 B15R1.12061 CCCOc1ccc(cc1Cl)C(=O)CC 7a_100011218862_100000210303 [0,2,0,0,0,0|1,0,1]=4 3002 B15R1.12061 CCCOc1ccc(cc1Cl)C(=O)NC 11a_106832991635_100000217228 [0,2,0,0,0,0|2,0,0]=4 3003 B15R1.12061 CCCOc1ccc(cc1Cl)C(=O)NC 1626a_100102657272_100000217228 [0,2,0,0,0,0|2,0,0]=4 3004 B15R1.12061 CCCOc1ccc(cc1Cl)C(=O)NC 240690a_100102657272_100000217228 [0,2,0,0,0,0|2,0,0]=4 3005 B15R1.12061 CCCOc1ccc(cc1Cl)C(=O)NC 527a_100102657272_100000217228 [0,2,0,0,0,0|2,0,0]=4 3006 B15R1.12061 CCCOc1ccc(cc1Cl)C(=O)OC 34a_100000151454_100000210303 [0,2,0,0,0,0|2,0,0]=4 3007 B15R1.12061 CCCOc1ccc(cc1Cl)C(=O)OC 7a_100000151454_100000210303 [0,2,0,0,0,0|2,0,0]=4 3008 B15R1.12061 CCCOc1ccc(cc1F)C(=O)OC 34a_100000075456_100000210303 [0,2,0,0,0,0|2,0,0]=4 3009 B15R1.12061 CCCOc1ccc(cc1F)C(=O)OC 7a_100000075456_100000210303 [0,2,0,0,0,0|2,0,0]=4 3010 B15R1.12061 CCCOc1ccc(cc1I)C(=O)OC 34a_100010162523_100000210303 [0,2,0,0,0,0|2,0,0]=4 3011 B15R1.12061 CCCOc1ccc(cc1I)C(=O)OC 7a_100010162523_100000210303 [0,2,0,0,0,0|2,0,0]=4 3012 B15R1.12061 CCCOc1ccc(cc1N)C(=O)OC 34a_100000724433_100000210303 [0,2,0,0,0,0|2,0,0]=4 3013 B15R1.12061 CCCOc1ccc(cc1N)C(=O)OC 7a_100000724433_100000210303 [0,2,0,0,0,0|2,0,0]=4 3014 B15R1.12061 CCCSc1ccc(cc1O)C(=O)OC 62a_100000210303_100012350776 [0,2,0,0,0,0|1,1,0]=4 3015 B15R1.12061 CCCSc1ccc(cc1O)C(=O)OC 62a_100012350776_100000210303 [0,2,0,0,0,0|1,1,0]=4 3016 B15R1.12061 CCOCc1ccc(cc1Br)C(=O)OC 34a_100012355398_100000210202 [0,2,0,0,0,0|2,0,0]=4 3017 B15R1.12061 CCOCc1ccc(cc1Br)C(=O)OC 34a_100121572206_100010201862 [0,2,0,0,0,0|2,0,0]=4 3018 B15R1.12061 CCOCc1ccc(cc1Br)C(=O)OC 7a_100012355398_100000210202 [0,2,0,0,0,0|2,0,0]=4 3019 B15R1.12061 CCOCc1ccc(cc1Cl)C(=O)OC 34a_100121572206_100012194053 [0,2,0,0,0,0|2,0,0]=4 3020 B15R1.12061 CCOCc1ccc(cc1F)C(=O)OC 34a_100000094453_100000210202 [0,2,0,0,0,0|2,0,0]=4 3021 B15R1.12061 CCOCc1ccc(cc1F)C(=O)OC 34a_100121572206_100000694138 [0,2,0,0,0,0|2,0,0]=4 3022 B15R1.12061 CCOCc1ccc(cc1F)C(=O)OC 7a_100000094453_100000210202 [0,2,0,0,0,0|2,0,0]=4 3023 B15R1.12061 COC(=O)c1ccc(c(c1)Br)OCCF 34a_100000216328_100011217306 [0,2,0,0,0,0|2,0,0]=4 3024 B15R1.12061 COC(=O)c1ccc(c(c1)Br)OCCF 7a_100000216328_100011217306 [0,2,0,0,0,0|2,0,0]=4 3025 B15R1.12061 COC(=O)c1ccc(c(c1)Br)OCCO 34a_100000216328_100000211926 [0,2,0,0,0,0|2,0,0]=4 3026 B15R1.12061 COC(=O)c1ccc(c(c1)Br)OCCO 7a_100000216328_100000211926 [0,2,0,0,0,0|2,0,0]=4 3027 B15R1.12061 COC(=O)c1ccc(c(c1)Br)OCSC 34a_100000216328_100011218213 [0,2,0,0,0,0|2,0,0]=4 3028 B15R1.12061 COC(=O)c1ccc(c(c1)C)OCCF 34a_100011997373_100011217306 [0,2,0,0,0,0|2,0,0]=4 3029 B15R1.12061 COC(=O)c1ccc(c(c1)C)OCCF 7a_100011997373_100011217306 [0,2,0,0,0,0|2,0,0]=4 3030 B15R1.12061 COC(=O)c1ccc(c(c1)C)OCCO 34a_100011997373_100000211926 [0,2,0,0,0,0|2,0,0]=4 3031 B15R1.12061 COC(=O)c1ccc(c(c1)C)OCCO 7a_100011997373_100000211926 [0,2,0,0,0,0|2,0,0]=4 3032 B15R1.12061 COC(=O)c1ccc(c(c1)C)OCSC 34a_100011997373_100011218213 [0,2,0,0,0,0|2,0,0]=4 3033 B15R1.12061 COC(=O)c1ccc(c(c1)Cl)OCCF 34a_100000151454_100011217306 [0,2,0,0,0,0|2,0,0]=4 3034 B15R1.12061 COC(=O)c1ccc(c(c1)Cl)OCCF 7a_100000151454_100011217306 [0,2,0,0,0,0|2,0,0]=4 3035 B15R1.12061 COC(=O)c1ccc(c(c1)Cl)OCCO 34a_100000151454_100000211926 [0,2,0,0,0,0|2,0,0]=4 3036 B15R1.12061 COC(=O)c1ccc(c(c1)Cl)OCCO 7a_100000151454_100000211926 [0,2,0,0,0,0|2,0,0]=4 3037 B15R1.12061 COC(=O)c1ccc(c(c1)Cl)OCSC 34a_100000151454_100011218213 [0,2,0,0,0,0|2,0,0]=4 3038 B15R1.12061 COC(=O)c1ccc(c(c1)F)OCCF 34a_100000075456_100011217306 [0,2,0,0,0,0|2,0,0]=4 3039 B15R1.12061 COC(=O)c1ccc(c(c1)F)OCCF 7a_100000075456_100011217306 [0,2,0,0,0,0|2,0,0]=4 3040 B15R1.12061 COC(=O)c1ccc(c(c1)F)OCCO 34a_100000075456_100000211926 [0,2,0,0,0,0|2,0,0]=4 3041 B15R1.12061 COC(=O)c1ccc(c(c1)F)OCCO 7a_100000075456_100000211926 [0,2,0,0,0,0|2,0,0]=4 3042 B15R1.12061 COC(=O)c1ccc(c(c1)F)OCSC 34a_100000075456_100011218213 [0,2,0,0,0,0|2,0,0]=4 3043 B15R1.12061 COC(=O)c1ccc(c(c1)I)OCCF 34a_100010162523_100011217306 [0,2,0,0,0,0|2,0,0]=4 3044 B15R1.12061 COC(=O)c1ccc(c(c1)I)OCCF 7a_100010162523_100011217306 [0,2,0,0,0,0|2,0,0]=4 3045 B15R1.12061 COC(=O)c1ccc(c(c1)I)OCCO 34a_100010162523_100000211926 [0,2,0,0,0,0|2,0,0]=4 3046 B15R1.12061 COC(=O)c1ccc(c(c1)I)OCCO 7a_100010162523_100000211926 [0,2,0,0,0,0|2,0,0]=4 3047 B15R1.12061 COC(=O)c1ccc(c(c1)I)OCSC 34a_100010162523_100011218213 [0,2,0,0,0,0|2,0,0]=4 3048 B15R1.12061 COC(=O)c1ccc(c(c1)N)OCCF 34a_100000724433_100011217306 [0,2,0,0,0,0|2,0,0]=4 3049 B15R1.12061 COC(=O)c1ccc(c(c1)N)OCCF 7a_100000724433_100011217306 [0,2,0,0,0,0|2,0,0]=4 3050 B15R1.12061 COC(=O)c1ccc(c(c1)N)OCCO 34a_100000724433_100000211926 [0,2,0,0,0,0|2,0,0]=4 3051 B15R1.12061 COC(=O)c1ccc(c(c1)N)OCCO 7a_100000724433_100000211926 [0,2,0,0,0,0|2,0,0]=4 3052 B15R1.12061 COC(=O)c1ccc(c(c1)N)OCSC 34a_100000724433_100011218213 [0,2,0,0,0,0|2,0,0]=4 3053 B15R1.12061 COC(=O)c1ccc(c(c1)O)SCCF 62a_100011217306_100012350776 [0,2,0,0,0,0|1,1,0]=4 3054 B15R1.12061 COC(=O)c1ccc(c(c1)O)SCCF 62a_100012350776_100011217306 [0,2,0,0,0,0|1,1,0]=4 3055 B15R1.12061 COC(=O)c1ccc(c(c1)O)SCCO 62a_100000211926_100012350776 [0,2,0,0,0,0|1,1,0]=4 3056 B15R1.12061 COC(=O)c1ccc(c(c1)O)SCCO 62a_100012350776_100000211926 [0,2,0,0,0,0|1,1,0]=4 3057 B15R1.12061 COC(=O)c1ccc(c(c1)O)SCSC 62a_100011218213_100012350776 [0,2,0,0,0,0|1,1,0]=4 3058 B15R1.12061 COC(=O)c1ccc(c(c1)O)SCSC 62a_100012350776_100011218213 [0,2,0,0,0,0|1,1,0]=4 3059 B15R1.12061 COCSc1ccc(cc1O)C(=O)OC 62a_100000766300_100012350776 [0,2,0,0,0,0|1,1,0]=4 3060 B15R1.12061 COCSc1ccc(cc1O)C(=O)OC 62a_100012350776_100000766300 [0,2,0,0,0,0|1,1,0]=4 3061 B15R1.37941 CC=Cc1cc(c(c(c1)C)OCC#N)C 271570a_100016259895_200010214319 [0,2,0,0,0,0|1,0,1]=4 3062 B15R1.37941 CC=Cc1cc(c(c(c1)C)OCCN)C 271570a_100016259895_100025753799 [0,2,0,0,0,0|1,0,0]=3 3063 B15R1.37941 CC=Cc1cc(c(c(c1)F)OCCC)F 271570a_100016259895_200016150419 [0,2,0,0,0,0|1,0,0]=3 3064 B15R1.3704 CCOc1c(cc(cc1OC)CNC)Br 207a_100102657272_100000183235 [0,2,0,0,0,0|1,0,1]=4 3065 B15R1.3704 CCOc1c(cc(cc1OC)CNC)Br 270004a_106832991635_100000183235 [0,2,0,0,0,0|1,0,1]=4 3066 B15R1.3704 CCOc1c(cc(cc1OC)CNC)Cl 207a_100102657272_100000179819 [0,2,0,0,0,0|1,0,1]=4 3067 B15R1.3704 CCOc1c(cc(cc1OC)CNC)Cl 270004a_106832991635_100000179819 [0,2,0,0,0,0|1,0,1]=4 3068 B15R1.26736 CCOc1c(cc(cc1Br)C(=O)OC)Br 34a_100009813172_100000210202 [0,2,0,0,0,0|2,0,0]=4 3069 B15R1.26736 CCOc1c(cc(cc1Br)C(=O)OC)Br 7a_100009813172_100000210202 [0,2,0,0,0,0|2,0,0]=4 3070 B15R1.26736 CCOc1c(cc(cc1Br)C(=O)OC)Cl 34a_100010873366_100000210202 [0,2,0,0,0,0|2,0,0]=4 3071 B15R1.26736 CCOc1c(cc(cc1Br)C(=O)OC)Cl 7a_100010873366_100000210202 [0,2,0,0,0,0|2,0,0]=4 3072 B15R1.26736 CCOc1c(cc(cc1Br)C(=O)OC)N 34a_100010372079_100000210202 [0,2,0,0,0,0|2,0,0]=4 3073 B15R1.26736 CCOc1c(cc(cc1Br)C(=O)OC)N 7a_100010372079_100000210202 [0,2,0,0,0,0|2,0,0]=4 3074 B15R1.26736 CCOc1c(cc(cc1Cl)C(=O)CC)F 1458a_100000061497_100000210202 [0,2,0,0,0,0|1,0,1]=4 3075 B15R1.26736 CCOc1c(cc(cc1Cl)C(=O)NC)F 11a_106832991635_100000061497 [0,2,0,0,0,0|2,0,0]=4 3076 B15R1.26736 CCOc1c(cc(cc1Cl)C(=O)NC)F 1626a_100102657272_100000061497 [0,2,0,0,0,0|2,0,0]=4 3077 B15R1.26736 CCOc1c(cc(cc1Cl)C(=O)NC)F 240690a_100102657272_100000061497 [0,2,0,0,0,0|2,0,0]=4 3078 B15R1.26736 CCOc1c(cc(cc1Cl)C(=O)NC)F 527a_100102657272_100000061497 [0,2,0,0,0,0|2,0,0]=4 3079 B15R1.26736 CCOc1c(cc(cc1Cl)C(=O)OC)Cl 34a_100000148585_100000210202 [0,2,0,0,0,0|2,0,0]=4 3080 B15R1.26736 CCOc1c(cc(cc1Cl)C(=O)OC)Cl 7a_100000148585_100000210202 [0,2,0,0,0,0|2,0,0]=4 3081 B15R1.26736 CCOc1c(cc(cc1Cl)C(=O)OC)N 34a_100010571316_100000210202 [0,2,0,0,0,0|2,0,0]=4 3082 B15R1.26736 CCOc1c(cc(cc1Cl)C(=O)OC)N 7a_100010571316_100000210202 [0,2,0,0,0,0|2,0,0]=4 3083 B15R1.26736 CCOc1c(cc(cc1F)C(=O)CC)F 1458a_100011822606_100000210202 [0,2,0,0,0,0|1,0,1]=4 3084 B15R1.26736 CCOc1c(cc(cc1F)C(=O)CC)F 34a_100011216017_100000210202 [0,2,0,0,0,0|1,0,1]=4 3085 B15R1.26736 CCOc1c(cc(cc1F)C(=O)CC)F 7a_100011216017_100000210202 [0,2,0,0,0,0|1,0,1]=4 3086 B15R1.26736 CCOc1c(cc(cc1F)C(=O)NC)F 11a_106832991635_100011822606 [0,2,0,0,0,0|2,0,0]=4 3087 B15R1.26736 CCOc1c(cc(cc1F)C(=O)NC)F 1626a_100102657272_100011822606 [0,2,0,0,0,0|2,0,0]=4 3088 B15R1.26736 CCOc1c(cc(cc1F)C(=O)NC)F 240690a_100102657272_100011822606 [0,2,0,0,0,0|2,0,0]=4 3089 B15R1.26736 CCOc1c(cc(cc1F)C(=O)NC)F 527a_100102657272_100011822606 [0,2,0,0,0,0|2,0,0]=4 3090 B15R1.26736 CCOc1c(cc(cc1F)C(=O)OC)F 34a_100009871777_100000210202 [0,2,0,0,0,0|2,0,0]=4 3091 B15R1.26736 CCOc1c(cc(cc1F)C(=O)OC)F 7a_100009871777_100000210202 [0,2,0,0,0,0|2,0,0]=4 3092 B15R1.26736 CCOc1c(cc(cc1I)C(=O)OC)Cl 34a_100135280131_100000210202 [0,2,0,0,0,0|2,0,0]=4 3093 B15R1.26736 CCOc1c(cc(cc1I)C(=O)OC)Cl 7a_100135280131_100000210202 [0,2,0,0,0,0|2,0,0]=4 3094 B15R1.26736 CCOc1c(cc(cc1I)C(=O)OC)I 7a_100010007818_100000210202 [0,2,0,0,0,0|2,0,0]=4 3095 B15R1.26736 CCSc1c(cc(cc1O)C(=O)OC)O 62a_100000210202_100010192586 [0,2,0,0,0,0|1,1,0]=4 3096 B15R1.7061 CCC(=O)c1ccc(c(c1)OC)OCF 34a_100000012293_100015361967 [0,2,0,0,0,0|1,0,1]=4 3097 B15R1.7061 CCC(=O)c1ccc(c(c1)OC)OCF 7a_100000012293_100015361967 [0,2,0,0,0,0|1,0,1]=4 3098 B15R1.7061 CCNc1ccc(cc1OC)C(=O)NC 2230a_100011850465_100000210202 [0,2,0,0,0,0|2,0,0]=4 3099 B15R1.7061 CCNc1ccc(cc1OC)C(=O)NC 34a_100011850465_100000210202 [0,2,0,0,0,0|2,0,0]=4 3100 B15R1.7061 CCOc1ccc(cc1C#N)C(=O)CC 1458a_100000092412_100000210202 [0,2,0,0,0,0|1,0,1]=4 3101 B15R1.7061 CCOc1ccc(cc1C#N)C(=O)NC 11a_106832991635_100000092412 [0,2,0,0,0,0|2,0,0]=4 3102 B15R1.7061 CCOc1ccc(cc1C#N)C(=O)NC 1626a_100102657272_100000092412 [0,2,0,0,0,0|2,0,0]=4 3103 B15R1.7061 CCOc1ccc(cc1C#N)C(=O)NC 240690a_100102657272_100000092412 [0,2,0,0,0,0|2,0,0]=4 3104 B15R1.7061 CCOc1ccc(cc1C#N)C(=O)NC 527a_100102657272_100000092412 [0,2,0,0,0,0|2,0,0]=4 3105 B15R1.7061 CCOc1ccc(cc1C#N)C(=O)OC 34a_100009865136_100000210202 [0,2,0,0,0,0|2,0,0]=4 3106 B15R1.7061 CCOc1ccc(cc1C#N)C(=O)OC 7a_100009865136_100000210202 [0,2,0,0,0,0|2,0,0]=4 3107 B15R1.7061 CCOc1ccc(cc1CO)C(=O)CBr 7a_100010262812_100000210202 [0,2,0,0,0,0|1,0,1]=4 3108 B15R1.7061 CCOc1ccc(cc1OC)C(=NO)N 34a_200000748009_100000210202 [0,2,0,0,0,0|2,0,0]=4 3109 B15R1.7061 CCOc1ccc(cc1OC)C(=O)CC 1458a_100000184834_100000210202 [0,2,0,0,0,0|0,0,1]=3 3110 B15R1.7061 CCOc1ccc(cc1OC)C(=O)CC 34a_100000012293_100000210202 [0,2,0,0,0,0|0,0,1]=3 3111 B15R1.7061 CCOc1ccc(cc1OC)C(=O)CC 7a_100000012293_100000210202 [0,2,0,0,0,0|0,0,1]=3 3112 B15R1.7061 CCOc1ccc(cc1OC)C(=O)CF 1458a_100000184834_100015361967 [0,2,0,0,0,0|1,0,1]=4 3113 B15R1.7061 CCOc1ccc(cc1OC)C(=O)NC 11a_106832991635_100000184834 [0,2,0,0,0,0|1,0,0]=3 3114 B15R1.7061 CCOc1ccc(cc1OC)C(=O)NC 1626a_100102657272_100000184834 [0,2,0,0,0,0|1,0,0]=3 3115 B15R1.7061 CCOc1ccc(cc1OC)C(=O)NC 240690a_100102657272_100000184834 [0,2,0,0,0,0|1,0,0]=3 3116 B15R1.7061 CCOc1ccc(cc1OC)C(=O)NC 527a_100102657272_100000184834 [0,2,0,0,0,0|1,0,0]=3 3117 B15R1.7061 CCOc1ccc(cc1OC)C(=O)NN 34a_100000008232_100000210202 [0,2,0,0,0,0|2,0,0]=4 3118 B15R1.7061 CCOc1ccc(cc1OC)C(=O)OC 34a_100000212147_100000210202 [0,2,0,0,0,0|1,0,0]=3 3119 B15R1.7061 CCOc1ccc(cc1OC)C(=O)OC 7a_100000212147_100000210202 [0,2,0,0,0,0|1,0,0]=3 3120 B15R1.7061 CCOc1ccc(cc1OC)C(O)CC 34a_200000015950_100000210202 [0,2,0,0,0,0|0,0,2]=4 3121 B15R1.7061 CCOc1ccc(cc1OC)C(O)CC 7a_200000015950_100000210202 [0,2,0,0,0,0|0,0,2]=4 3122 B15R1.7061 CCSc1ccc(cc1CO)C(=O)OC 62a_100000210202_100010201863 [0,2,0,0,0,0|1,1,0]=4 3123 B15R1.7061 CCSc1ccc(cc1CO)C(=O)OC 62a_100010201863_100000210202 [0,2,0,0,0,0|1,1,0]=4 3124 B15R1.7061 CCSc1ccc(cc1OC)C(=O)OC 62a_100000210202_100009816954 [0,2,0,0,0,0|1,1,0]=4 3125 B15R1.7061 CCSc1ccc(cc1OC)C(=O)OC 62a_100009816954_100000210202 [0,2,0,0,0,0|1,1,0]=4 3126 B15R1.7061 COC(=O)c1ccc(c(c1)OC)OCF 34a_100000212147_100015361967 [0,2,0,0,0,0|2,0,0]=4 3127 B15R1.7061 COC(=O)c1ccc(c(c1)OC)OCF 7a_100000212147_100015361967 [0,2,0,0,0,0|2,0,0]=4 3128 B15R1.9641 CC=Cc1ccc(c(c1)CNC)OCC 271570a_100016259895_100015187135 [0,2,0,0,0,0|1,0,0]=3 3129 B15R1.9641 CC=Cc1ccc(c(c1)OCC)OCC 34a_100000057189_100000210202 [0,2,0,0,0,0|0,0,0]=2 3130 B15R1.9641 CC=Cc1ccc(c(c1)OCC)OCC 7a_100000057189_100000210202 [0,2,0,0,0,0|0,0,0]=2 3131 B15R1.9641 CC=Cc1ccc(c(c1)OCF)OCC 34a_100000057189_100015361967 [0,2,0,0,0,0|0,0,0]=2 3132 B15R1.9641 CC=Cc1ccc(c(c1)OCF)OCC 7a_100000057189_100015361967 [0,2,0,0,0,0|0,0,0]=2 3133 B15R1.9641 CCNc1ccc(c(c1)OCC)OCC 2230a_100000682499_100000210202 [0,2,0,0,0,0|1,0,1]=4 3134 B15R1.9641 CCNc1ccc(c(c1)OCC)OCC 34a_100000682499_100000210202 [0,2,0,0,0,0|1,0,1]=4 3135 B15R1.9641 CCOc1ccc(cc1OCC)CNC 207a_100102657272_100000170400 [0,2,0,0,0,0|1,0,1]=4 3136 B15R1.9641 CCOc1ccc(cc1OCC)CNC 2230a_114948179043_200000210301 [0,2,0,0,0,0|1,0,1]=4 3137 B15R1.9641 CCOc1ccc(cc1OCC)CNC 270004a_106832991635_100000170400 [0,2,0,0,0,0|1,0,1]=4 3138 B15R1.9641 CCOc1ccc(cc1OCC)CNC 34a_114948179043_200000210301 [0,2,0,0,0,0|1,0,1]=4 3139 B15R1.9641 CCOc1ccc(cc1OCC)CN[13CH3] 2230a_114948179043_200025704644 [0,2,0,0,0,0|1,0,1]=4 3140 B15R1.9641 CCOc1ccc(cc1OCC)CN[13CH3] 34a_114948179043_200025704644 [0,2,0,0,0,0|1,0,1]=4 3141 B15R1.9641 CCOc1ccc(cc1OCC)COC 34a_100000189643_200000210301 [0,2,0,0,0,0|1,0,1]=4 3142 B15R1.9641 CCOc1ccc(cc1OCC)COC 7a_100000189643_200000210301 [0,2,0,0,0,0|1,0,1]=4 3143 B15R1.9641 CCOc1ccc(cc1OCC)CO[13CH3] 34a_100000189643_200025704644 [0,2,0,0,0,0|1,0,1]=4 3144 B15R1.9641 CCOc1ccc(cc1OCC)CO[13CH3] 7a_100000189643_200025704644 [0,2,0,0,0,0|1,0,1]=4 3145 B15R1.9648 C=C=Cc1ccc(c(c1)B(O)O)OCC 271570a_100015277604_100009814738 [0,2,0,0,0,0|0,0,2]=4 3146 B15R1.9648 CC=Cc1ccc(c(c1)B(O)O)OCC 271570a_100016259895_100009814738 [0,2,0,0,0,0|0,0,0]=2 3147 B15R1.9648 CC=Cc1ccc(c(c1)C(=O)C)OCC 271570a_100016259895_100000173016 [0,2,0,0,0,0|0,0,1]=3 3148 B15R1.9648 CCOc1ccc(cc1B(O)O)SCC 62a_100009814738_100000210202 [0,2,0,0,0,0|1,0,1]=4 3149 B15R1.27355 C=C=Cc1cc(c(cc1C#N)OCC)O 271570a_100015277604_100009814618 [0,2,0,0,0,0|0,0,2]=4 3150 B15R1.27355 C=C=Cc1cc(c(cc1C=O)OCC)O 271570a_100015277604_100009812231 [0,2,0,0,0,0|0,0,2]=4 3151 B15R1.27355 CC=Cc1cc(c(cc1C#N)OCC)O 271570a_100016259895_100009814618 [0,2,0,0,0,0|0,0,0]=2 3152 B15R1.27355 CC=Cc1cc(c(cc1C=O)OCC)O 271570a_100016259895_100009812231 [0,2,0,0,0,0|0,0,0]=2 3153 B15R1.27355 CCOc1cc(c(cc1O)SCC)C#N 62a_100000210202_100009814618 [0,2,0,0,0,0|1,0,1]=4 3154 B15R1.27355 CCOc1cc(c(cc1OC)CNC)Br 207a_100102657272_100009812228 [0,2,0,0,0,0|1,0,1]=4 3155 B15R1.27355 CCOc1cc(c(cc1OC)CNC)Br 270004a_106832991635_100009812228 [0,2,0,0,0,0|1,0,1]=4 3156 B15R1.27355 CCOc1cc(c(cc1OC)CNC)Cl 207a_100102657272_100000013881 [0,2,0,0,0,0|1,0,1]=4 3157 B15R1.27355 CCOc1cc(c(cc1OC)CNC)Cl 270004a_106832991635_100000013881 [0,2,0,0,0,0|1,0,1]=4 3158 B13R1.361 CC=Cc1csc(c1)C(=O)OCC 271570a_100016259895_100009815474 [0,0,1,1,0,0|1,1,0]=4 3159 B13R1.2900 CCOc1cc(c(cc1O)O)C=O 271570a_203496583355_100009812231 [0,0,1,1,0,0|2,0,0]=4 3160 B13R1.567 CC=Cc1cccc(c1)COCC 271570a_100016259895_100011493694 [0,0,1,1,0,0|1,0,1]=4 3161 B13R2.57 C=Cc1ccc2c(c1)CCCC2 271570a_100011290941_100011221367 [1,0,0,1,0,0|2,0,0]=4 3162 B13R2.57 C=Cc1ccc2c(c1)CCCN2 271570a_100011290941_100016994925 [1,0,0,1,0,0|2,0,0]=4 3163 B13R2.57 C=Cc1ccc2c(c1)CCCO2 271570a_100011290941_100011393166 [1,0,0,1,0,0|1,0,0]=3 3164 B13R2.57 C=Cc1ccc2c(c1)NCCC2 271570a_100011290941_100010196366 [1,0,0,1,0,0|2,0,0]=4 3165 B13R2.57 C=Cc1ccc2c(c1)NCCO2 271570a_100011290941_100000708519 [1,0,0,1,0,0|1,0,0]=3 3166 B13R2.57 C=Cc1ccc2c(c1)NCCS2 271570a_100011290941_100013243616 [1,0,0,1,0,0|1,1,0]=4 3167 B13R2.57 C=Cc1ccc2c(c1)OCCC2 271570a_100011290941_100010700467 [1,0,0,1,0,0|1,0,0]=3 3168 B13R2.57 C=Cc1ccc2c(c1)OCCN2 271570a_100011290941_100012355470 [1,0,0,1,0,0|1,0,0]=3 3169 B13R2.57 C=Cc1ccc2c(c1)OCCO2 271570a_100011290941_100000184379 [1,0,0,1,0,0|0,0,0]=2 3170 B13R2.57 C=Cc1ccc2c(n1)NCCO2 271570a_100011290941_100010209492 [1,0,0,1,0,0|2,0,0]=4 3171 B13R2.57 C=Cc1cnc2c(c1)CCCO2 271570a_100011290941_100010109689 [1,0,0,1,0,0|2,0,0]=4 3172 B13R2.57 C=Cc1cnc2c(c1)NCCO2 271570a_100011290941_100000700286 [1,0,0,1,0,0|2,0,0]=4 3173 B13R2.57 C=Cc1cnc2c(c1)OCCN2 271570a_100011290941_100009816924 [1,0,0,1,0,0|2,0,0]=4 3174 B13R2.57 CNc1ccc2c(c1)CCCO2 2230a_100138412508_200000210301 [1,0,0,1,0,0|2,0,0]=4 3175 B13R2.57 CNc1ccc2c(c1)CCCO2 34a_100138412508_200000210301 [1,0,0,1,0,0|2,0,0]=4 3176 B13R2.57 CNc1ccc2c(c1)OCCO2 2230a_100020630400_200000210301 [1,0,0,1,0,0|1,0,0]=3 3177 B13R2.57 CNc1ccc2c(c1)OCCO2 34a_100020630400_200000210301 [1,0,0,1,0,0|1,0,0]=3 3178 B13R2.57 COc1ccc2c(c1)NCCO2 34a_100020636358_200000210301 [1,0,0,1,0,0|2,0,0]=4 3179 B13R2.57 COc1ccc2c(c1)OCCO2 34a_100000234341_200000210301 [1,0,0,1,0,0|1,0,0]=3 3180 B13R2.57 CSc1ccc2c(c1)CCCO2 62a_100011393166_200000210301 [1,0,0,1,0,0|2,0,0]=4 3181 B13R2.57 CSc1ccc2c(c1)CCCO2 62a_200000210301_100011393166 [1,0,0,1,0,0|2,0,0]=4 3182 B13R2.57 CSc1ccc2c(c1)NCCO2 62a_200000210301_100000708519 [1,0,0,1,0,0|2,0,0]=4 3183 B13R2.57 CSc1ccc2c(c1)OCCC2 62a_100010700467_200000210301 [1,0,0,1,0,0|2,0,0]=4 3184 B13R2.57 CSc1ccc2c(c1)OCCC2 62a_200000210301_100010700467 [1,0,0,1,0,0|2,0,0]=4 3185 B13R2.57 CSc1ccc2c(c1)OCCN2 62a_200000210301_100012355470 [1,0,0,1,0,0|2,0,0]=4 3186 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_100011216881_200000210301 [1,0,0,1,0,0|1,0,0]=3 3187 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_200000210301_100011216881 [1,0,0,1,0,0|1,0,0]=3 3188 B13R2.57 [13CH3]Nc1ccc2c(c1)CCCO2 2230a_100138412508_200025704644 [1,0,0,1,0,0|2,0,0]=4 3189 B13R2.57 [13CH3]Nc1ccc2c(c1)CCCO2 34a_100138412508_200025704644 [1,0,0,1,0,0|2,0,0]=4 3190 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 2230a_100020630400_200025704644 [1,0,0,1,0,0|1,0,0]=3 3191 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 34a_100020630400_200025704644 [1,0,0,1,0,0|1,0,0]=3 3192 B13R2.57 [13CH3]Oc1ccc2c(c1)NCCO2 34a_100020636358_200025704644 [1,0,0,1,0,0|2,0,0]=4 3193 B13R2.57 [13CH3]Oc1ccc2c(c1)OCCO2 34a_100000234341_200025704644 [1,0,0,1,0,0|1,0,0]=3 3194 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCO2 62a_100011393166_200025704644 [1,0,0,1,0,0|2,0,0]=4 3195 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCO2 62a_200025704644_100011393166 [1,0,0,1,0,0|2,0,0]=4 3196 B13R2.57 [13CH3]Sc1ccc2c(c1)NCCO2 62a_200025704644_100000708519 [1,0,0,1,0,0|2,0,0]=4 3197 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCC2 62a_100010700467_200025704644 [1,0,0,1,0,0|2,0,0]=4 3198 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCC2 62a_200025704644_100010700467 [1,0,0,1,0,0|2,0,0]=4 3199 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCN2 62a_200025704644_100012355470 [1,0,0,1,0,0|2,0,0]=4 3200 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_100011216881_200025704644 [1,0,0,1,0,0|1,0,0]=3 3201 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_200025704644_100011216881 [1,0,0,1,0,0|1,0,0]=3 3202 B13R2.654 O=Cc1cc(c2c(c1)CCO2)O 271570a_203496583355_100009816904 [1,0,0,1,0,0|1,0,0]=3 3203 B13R2.654 O=Cc1cc(c2c(c1)OCO2)O 271570a_203496583355_100000682445 [1,0,0,1,0,0|2,0,0]=4 3204 B13R2.2121 C=Cc1ccc2nc(oc2c1)C 271570a_100011290941_100010171164 [1,0,0,1,0,0|1,0,1]=4 3205 B13R2.2121 C=Cc1ccc2oc(nc2c1)C 271570a_100011290941_100009816932 [1,0,0,1,0,0|1,0,1]=4 3206 B13R2.2121 CC1Cc2cc(ccc2O1)N[13CH3] 2230a_100102713350_200025704644 [1,0,0,1,0,0|2,0,0]=4 3207 B13R2.2121 CC1Cc2cc(ccc2O1)N[13CH3] 34a_100102713350_200025704644 [1,0,0,1,0,0|2,0,0]=4 3208 B13R2.2121 CNc1ccc2c(c1)CC(O2)C 2230a_100102713350_200000210301 [1,0,0,1,0,0|2,0,0]=4 3209 B13R2.2121 CNc1ccc2c(c1)CC(O2)C 34a_100102713350_200000210301 [1,0,0,1,0,0|2,0,0]=4 3210 B13R2.2170 COc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000719091 [1,0,0,1,0,0|2,0,0]=4 3211 B13R2.2170 O=Cc1ccc(c(c1)O)C2CC2 271570a_100011220607_100000041418 [1,0,0,1,0,0|2,0,0]=4 3212 B13R2.60 Br/C=C/c1ccc(cc1)C2CC2 271570a_100011220607_200016255901 [1,0,0,1,0,0|2,0,0]=4 3213 B13R2.60 C/C=C/c1ccc(cc1)C2CC2 271570a_100011220607_100016259036 [1,0,0,1,0,0|1,0,0]=3 3214 B13R2.60 CC=Cc1ccc(cc1)C2CC2 271570a_100016259895_100009820665 [1,0,0,1,0,0|1,0,0]=3 3215 B13R2.60 CC=Cc1ccc(cn1)C2CC2 271570a_100016259895_200000118129 [1,0,0,1,0,0|2,0,0]=4 3216 B13R2.60 CC=Cc1ccc(nc1)C2CC2 271570a_100016259895_100009850895 [1,0,0,1,0,0|2,0,0]=4 3217 B13R2.60 CCOc1ccc(cc1)C2CC2 271570a_100011220607_100000169946 [1,0,0,1,0,0|0,0,2]=4 3218 B13R2.60 CCOc1ccc(cc1)C2CC2 34a_100011997980_100000210202 [1,0,0,1,0,0|0,0,2]=4 3219 B13R2.60 CCOc1ccc(cc1)C2CC2 7a_100011997980_100000210202 [1,0,0,1,0,0|0,0,2]=4 3220 B13R2.449 C=C=Cc1ccc2c(c1)CCO2 271570a_100015277604_100000729065 [1,0,0,1,0,0|0,0,2]=4 3221 B13R2.449 CC=Cc1cc2c(cn1)NCC2 271570a_100016259895_100009884275 [1,0,0,1,0,0|2,0,0]=4 3222 B13R2.449 CC=Cc1cc2c(cn1)OCC2 271570a_100016259895_102495363667 [1,0,0,1,0,0|1,0,0]=3 3223 B13R2.449 CC=Cc1ccc2c(c1)CC=C2 271570a_100016259895_200009818231 [1,0,0,1,0,0|1,0,1]=4 3224 B13R2.449 CC=Cc1ccc2c(c1)CCC2 271570a_100016259895_100000745594 [1,0,0,1,0,0|1,0,0]=3 3225 B13R2.449 CC=Cc1ccc2c(c1)CCN2 271570a_100016259895_100000026929 [1,0,0,1,0,0|1,0,0]=3 3226 B13R2.449 CC=Cc1ccc2c(c1)CCO2 271570a_100016259895_100000729065 [1,0,0,1,0,0|0,0,0]=2 3227 B13R2.449 CC=Cc1ccc2c(c1)CNC2 271570a_100016259895_100000702344 [1,0,0,1,0,0|2,0,0]=4 3228 B13R2.449 CC=Cc1ccc2c(c1)COC2 271570a_100016259895_100000698232 [1,0,0,1,0,0|2,0,0]=4 3229 B13R2.449 CC=Cc1ccc2c(c1)NCC2 271570a_100016259895_100000754641 [1,0,0,1,0,0|2,0,0]=4 3230 B13R2.449 CC=Cc1ccc2c(c1)OCC2 271570a_100016259895_100009818566 [1,0,0,1,0,0|2,0,0]=4 3231 B13R2.449 CC=Cc1ccc2c(c1)OCO2 271570a_100016259895_100000688060 [1,0,0,1,0,0|1,0,0]=3 3232 B13R2.449 CC=Cc1ccc2c(n1)CCC2 271570a_100016259895_100000046531 [1,0,0,1,0,0|2,0,0]=4 3233 B13R2.449 CC=Cc1ccc2c(n1)CCN2 271570a_100016259895_100009872833 [1,0,0,1,0,0|2,0,0]=4 3234 B13R2.449 CC=Cc1ccc2occc2c1 271570a_100016259895_100012343831 [1,0,0,1,0,0|0,0,2]=4 3235 B13R2.449 CC=Cc1ccc2ocnc2c1 271570a_100016259895_100009816175 [1,0,0,1,0,0|1,0,1]=4 3236 B13R2.449 CC=Cc1ccc2oncc2c1 271570a_100016259895_100009817723 [1,0,0,1,0,0|1,0,1]=4 3237 B13R2.449 CC=Cc1cnc2c(c1)CCC2 271570a_100016259895_100000693888 [1,0,0,1,0,0|2,0,0]=4 3238 B13R2.449 CC=Cc1cnc2c(c1)CCN2 271570a_100016259895_100009817725 [1,0,0,1,0,0|2,0,0]=4 3239 B13R2.449 CCNc1ccc2c(c1)CCO2 2230a_100000736984_100000210202 [1,0,0,1,0,0|1,0,1]=4 3240 B13R2.449 CCNc1ccc2c(c1)CCO2 34a_100000736984_100000210202 [1,0,0,1,0,0|1,0,1]=4 3241 B13R2.449 CCNc1ccc2ccoc2c1 34a_100000102395_100000210202 [1,0,0,1,0,0|2,0,0]=4 3242 B13R2.449 CCOc1ccc2[nH]ccc2c1 34a_100000756620_100000210202 [1,0,0,1,0,0|1,0,1]=4 3243 B13R2.449 CCOc1ccc2c(c1)CCC2 34a_100000209987_100000210202 [1,0,0,1,0,0|0,0,2]=4 3244 B13R2.449 CCOc1ccc2c(c1)CCC2 7a_100000209987_100000210202 [1,0,0,1,0,0|0,0,2]=4 3245 B13R2.449 CCOc1ccc2c(c1)CCN2 34a_100020636429_100000210202 [1,0,0,1,0,0|1,0,1]=4 3246 B13R2.449 CCOc1ccc2c(c1)CNC2 34a_100015195982_100000210202 [1,0,0,1,0,0|1,0,1]=4 3247 B13R2.449 CCOc1ccc2cc[nH]c2c1 34a_100000036713_100000210202 [1,0,0,1,0,0|1,0,0]=3 3248 B13R2.449 CCOc1ccc2ccoc2c1 34a_100000089557_100000210202 [1,0,0,1,0,0|1,0,0]=3 3249 B13R2.449 CCOc1ccc2ccoc2c1 7a_100000089557_100000210202 [1,0,0,1,0,0|1,0,0]=3 3250 B13R2.449 CCOc1ccc2cnoc2c1 34a_100000098417_100000210202 [1,0,0,1,0,0|2,0,0]=4 3251 B13R2.449 CCOc1ccc2cnoc2c1 7a_100000098417_100000210202 [1,0,0,1,0,0|2,0,0]=4 3252 B13R2.449 CCOc1ccc2ncsc2c1 34a_100011995850_100000210202 [1,0,0,1,0,0|2,0,0]=4 3253 B13R2.449 CCOc1ccc2ncsc2c1 7a_100011995850_100000210202 [1,0,0,1,0,0|2,0,0]=4 3254 B13R2.449 CCOc1ccc2occc2c1 34a_100000070125_100000210202 [1,0,0,1,0,0|1,0,1]=4 3255 B13R2.449 CCOc1ccc2occc2c1 7a_100000070125_100000210202 [1,0,0,1,0,0|1,0,1]=4 3256 B13R2.449 CCOc1ccc2sccc2c1 34a_100012180905_100000210202 [1,0,0,1,0,0|1,0,1]=4 3257 B13R2.449 CCOc1ccc2sccc2c1 7a_100012180905_100000210202 [1,0,0,1,0,0|1,0,1]=4 3258 B13R2.449 CCOc1ccc2scnc2c1 34a_200009850626_100000210202 [1,0,0,1,0,0|2,0,0]=4 3259 B13R2.449 CCOc1ccc2scnc2c1 7a_200009850626_100000210202 [1,0,0,1,0,0|2,0,0]=4 3260 B13R2.449 CCOc1ccn2ccnc2c1 34a_100009863278_100000210202 [1,0,0,1,0,0|2,0,0]=4 3261 B13R2.449 CCSc1ccc2c(c1)CC=C2 62a_100000210202_200009818231 [1,0,0,1,0,0|0,1,0]=3 3262 B13R2.449 CCSc1ccc2c(c1)CC=C2 62a_200009818231_100000210202 [1,0,0,1,0,0|0,1,0]=3 3263 B13R2.449 CCSc1ccc2c(c1)CCO2 62a_100000210202_100000729065 [1,0,0,1,0,0|1,0,1]=4 3264 B13R2.449 CCSc1ccc2c(c1)CCO2 62a_100000729065_100000210202 [1,0,0,1,0,0|1,0,1]=4 3265 B13R2.449 CCSc1ccc2cc[nH]c2c1 62a_100000210202_100000743809 [1,0,0,1,0,0|1,1,0]=4 3266 B13R2.449 CCSc1ccc2ccoc2c1 62a_100000210202_100000759542 [1,0,0,1,0,0|1,1,0]=4 3267 B13R2.449 CCSc1ccc2ccsc2c1 62a_100000210202_100009888917 [1,0,0,1,0,0|1,1,0]=4 3268 B13R2.449 CNCc1ccc2c(c1)CCO2 207a_100102657272_100011218456 [1,0,0,1,0,0|1,0,1]=4 3269 B13R2.449 CNCc1ccc2c(c1)CCO2 2230a_100011219410_200000210301 [1,0,0,1,0,0|1,0,1]=4 3270 B13R2.449 CNCc1ccc2c(c1)CCO2 270004a_106832991635_100011218456 [1,0,0,1,0,0|1,0,1]=4 3271 B13R2.449 CNCc1ccc2c(c1)CCO2 34a_100011219410_200000210301 [1,0,0,1,0,0|1,0,1]=4 3272 B13R2.449 COCc1ccc2c(c1)CCO2 34a_100011219353_200000210301 [1,0,0,1,0,0|1,0,1]=4 3273 B13R2.449 COCc1ccc2c(c1)CCO2 7a_100011219353_200000210301 [1,0,0,1,0,0|1,0,1]=4 3274 B13R2.449 FCOc1ccc2cc[nH]c2c1 34a_100000036713_100015361967 [1,0,0,1,0,0|2,0,0]=4 3275 B13R2.449 FCOc1ccc2ccoc2c1 34a_100000089557_100015361967 [1,0,0,1,0,0|2,0,0]=4 3276 B13R2.449 FCOc1ccc2ccoc2c1 7a_100000089557_100015361967 [1,0,0,1,0,0|2,0,0]=4 3277 B13R2.449 FCSc1ccc2c(c1)CC=C2 62a_100015361967_200009818231 [1,0,0,1,0,0|1,1,0]=4 3278 B13R2.449 FCSc1ccc2c(c1)CC=C2 62a_200009818231_100015361967 [1,0,0,1,0,0|1,1,0]=4 3279 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 2230a_100011219410_200025704644 [1,0,0,1,0,0|1,0,1]=4 3280 B13R2.449 [13CH3]NCc1ccc2c(c1)CCO2 34a_100011219410_200025704644 [1,0,0,1,0,0|1,0,1]=4 3281 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 34a_100011219353_200025704644 [1,0,0,1,0,0|1,0,1]=4 3282 B13R2.449 [13CH3]OCc1ccc2c(c1)CCO2 7a_100011219353_200025704644 [1,0,0,1,0,0|1,0,1]=4 3283 B13R2.84 COc1ccc2[nH]ccc2c1O 271570a_203496583355_100010169049 [1,0,0,1,0,0|1,0,1]=4 3284 B13R2.84 COc1ncc2cc[nH]c2c1O 271570a_203496583355_100010168355 [1,0,0,1,0,0|2,0,0]=4 3285 B13R2.599 COc1cc2[nH]ccc2cc1O 271570a_203496583355_100010245498 [1,0,0,1,0,0|1,0,0]=3 3286 B13R2.599 COc1cc2[nH]cnc2cc1O 271570a_203496583355_100010062394 [1,0,0,1,0,0|2,0,0]=4 3287 B13R2.599 COc1cc2cc[nH]c2cc1O 271570a_203496583355_100010245486 [1,0,0,1,0,0|1,0,1]=4 3288 B13R2.599 COc1cc2n[nH]cc2cc1O 271570a_203496583355_100020876381 [1,0,0,1,0,0|2,0,0]=4 3289 B13R2.599 COc1nc2[nH]ccc2cc1O 271570a_203496583355_100010168744 [1,0,0,1,0,0|2,0,0]=4 3290 B13R2.2396 COc1ccc(cc1O)C2CC2 271570a_100011220607_100009816560 [1,0,0,1,0,0|0,0,2]=4 3291 B15R2.926 CC(=Cc1ccc2nc(oc2c1)C)C 271570a_100102525489_100010171164 [0,1,0,1,0,0|1,0,1]=4 3292 B15R2.926 CC(=Cc1ccc2oc(nc2c1)C)C 271570a_100102525489_100009816932 [0,1,0,1,0,0|1,0,1]=4 3293 B15R2.926 CC(=O)Nc1ccc2c(c1)CC(O2)C 11a_100102713350_100015343762 [0,1,0,1,0,0|2,0,0]=4 3294 B15R2.926 CC(=O)Nc1ccc2c(c1)CC(O2)C 1626a_100102713350_100015343762 [0,1,0,1,0,0|2,0,0]=4 3295 B15R2.926 CC(=O)Nc1ccc2c(c1)CC(O2)C 22a_100102713350_100000070787 [0,1,0,1,0,0|2,0,0]=4 3296 B15R2.926 CC(=O)Nc1ccc2c(c1)CC(O2)C 527a_100102713350_100103153847 [0,1,0,1,0,0|2,0,0]=4 3297 B15R2.1668 CC(=Cc1ccc2c(c1)CCCC2)C 271570a_100102525489_100011221367 [0,1,0,1,0,0|2,0,0]=4 3298 B15R2.1668 CC(=Cc1ccc2c(c1)CCCN2)C 271570a_100102525489_100016994925 [0,1,0,1,0,0|2,0,0]=4 3299 B15R2.1668 CC(=Cc1ccc2c(c1)CCCO2)C 271570a_100102525489_100011393166 [0,1,0,1,0,0|1,0,0]=3 3300 B15R2.1668 CC(=Cc1ccc2c(c1)NCCC2)C 271570a_100102525489_100010196366 [0,1,0,1,0,0|2,0,0]=4 3301 B15R2.1668 CC(=Cc1ccc2c(c1)NCCO2)C 271570a_100102525489_100000708519 [0,1,0,1,0,0|1,0,0]=3 3302 B15R2.1668 CC(=Cc1ccc2c(c1)NCCS2)C 271570a_100102525489_100013243616 [0,1,0,1,0,0|1,1,0]=4 3303 B15R2.1668 CC(=Cc1ccc2c(c1)OCCC2)C 271570a_100102525489_100010700467 [0,1,0,1,0,0|1,0,0]=3 3304 B15R2.1668 CC(=Cc1ccc2c(c1)OCCN2)C 271570a_100102525489_100012355470 [0,1,0,1,0,0|1,0,0]=3 3305 B15R2.1668 CC(=Cc1ccc2c(c1)OCCO2)C 271570a_100102525489_100000184379 [0,1,0,1,0,0|0,0,0]=2 3306 B15R2.1668 CC(=Cc1ccc2c(n1)NCCO2)C 271570a_100102525489_100010209492 [0,1,0,1,0,0|2,0,0]=4 3307 B15R2.1668 CC(=Cc1cnc2c(c1)CCCO2)C 271570a_100102525489_100010109689 [0,1,0,1,0,0|2,0,0]=4 3308 B15R2.1668 CC(=Cc1cnc2c(c1)NCCO2)C 271570a_100102525489_100000700286 [0,1,0,1,0,0|2,0,0]=4 3309 B15R2.1668 CC(=Cc1cnc2c(c1)OCCN2)C 271570a_100102525489_100009816924 [0,1,0,1,0,0|2,0,0]=4 3310 B15R2.1668 CC(=O)Cc1ccc2c(c1)OCCO2 1458a_100000184005_200000210301 [0,1,0,1,0,0|0,0,1]=3 3311 B15R2.1668 CC(=O)Nc1ccc2c(c1)CCCO2 11a_100138412508_100015343762 [0,1,0,1,0,0|2,0,0]=4 3312 B15R2.1668 CC(=O)Nc1ccc2c(c1)CCCO2 1626a_100138412508_100015343762 [0,1,0,1,0,0|2,0,0]=4 3313 B15R2.1668 CC(=O)Nc1ccc2c(c1)CCCO2 22a_100138412508_100000070787 [0,1,0,1,0,0|2,0,0]=4 3314 B15R2.1668 CC(=O)Nc1ccc2c(c1)CCCO2 527a_100138412508_100103153847 [0,1,0,1,0,0|2,0,0]=4 3315 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 11a_100020630400_100015343762 [0,1,0,1,0,0|1,0,0]=3 3316 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 1626a_100020630400_100015343762 [0,1,0,1,0,0|1,0,0]=3 3317 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 22a_100020630400_100000070787 [0,1,0,1,0,0|1,0,0]=3 3318 B15R2.1668 CC(=O)Nc1ccc2c(c1)OCCO2 527a_100020630400_100103153847 [0,1,0,1,0,0|1,0,0]=3 3319 B15R2.1668 CC(C)Nc1ccc2c(c1)OCCO2 2230a_100020630400_100000210206 [0,1,0,1,0,0|1,0,1]=4 3320 B15R2.1668 CC(C)Nc1ccc2c(c1)OCCO2 34a_100020630400_100000210206 [0,1,0,1,0,0|1,0,1]=4 3321 B15R2.1668 CC(C)Oc1ccc2c(c1)OCCO2 34a_100000234341_100000210206 [0,1,0,1,0,0|1,0,1]=4 3322 B15R2.1668 CC(C)Sc1ccc2c(c1)OCCO2 62a_100000210206_100011216881 [0,1,0,1,0,0|1,0,1]=4 3323 B15R2.1668 CC(C)Sc1ccc2c(c1)OCCO2 62a_100011216881_100000210206 [0,1,0,1,0,0|1,0,1]=4 3324 B15R2.1668 CN(C)Cc1ccc2c(c1)OCCO2 2230a_100000684720_200000210301 [0,1,0,1,0,0|1,0,1]=4 3325 B15R2.1668 CN(C)Cc1ccc2c(c1)OCCO2 269982a_100000684720_200000210301 [0,1,0,1,0,0|1,0,1]=4 3326 B15R2.1668 CN(C)Cc1ccc2c(c1)OCCO2 270004a_100102631434_100000184955 [0,1,0,1,0,0|1,0,1]=4 3327 B15R2.1668 CN([13CH3])Cc1ccc2c(c1)OCCO2 2230a_100000684720_200025704644 [0,1,0,1,0,0|1,0,1]=4 3328 B15R2.1668 CN([13CH3])Cc1ccc2c(c1)OCCO2 269982a_100000684720_200025704644 [0,1,0,1,0,0|1,0,1]=4 3329 B15R2.1668 [13CH3]C(=O)Cc1ccc2c(c1)OCCO2 1458a_100000184005_200025704644 [0,1,0,1,0,0|0,0,1]=3 3330 B15R2.4416 CCSc1cc2nn(cc2cc1O)C 62a_100000210202_100010742938 [0,1,0,1,0,0|1,1,0]=4 3331 B15R2.16673 CCOc1ccc2[nH]c(cc2c1F)C 34a_100000085321_100000210202 [0,1,0,1,0,0|2,0,0]=4 3332 B15R2.16673 CCOc1ccc2[nH]c(cc2c1F)C 7a_100000085321_100000210202 [0,1,0,1,0,0|2,0,0]=4 3333 B15R2.1301 CC=Cc1ccc2c(c1)ccn2CC 271570a_100016259895_200012349192 [0,1,0,1,0,0|2,0,0]=4 3334 B15R2.1301 CC=Cc1ccc2c(c1)ncn2CC 271570a_100016259895_100010246672 [0,1,0,1,0,0|2,0,0]=4 3335 B15R2.54379 CC=Cc1ccc2c(c1)CCCC2=O 271570a_100016259895_100000688402 [0,1,0,1,0,0|2,0,0]=4 3336 B15R2.54379 CC=Cc1ccc2c(c1)CCC[C@@H]2N 271570a_100016259895_100160469487 [0,1,0,1,0,0|2,0,0]=4 3337 B15R2.54379 CC=Cc1ccc2c(c1)NCCC2=O 271570a_100016259895_100010157303 [0,1,0,1,0,0|2,0,0]=4 3338 B15R2.54379 CC=Cc1ccc2c(c1)NCCN2C 271570a_100016259895_100011551014 [0,1,0,1,0,0|2,0,0]=4 3339 B15R2.54379 CC=Cc1ccc2c(c1)OCCC2=O 271570a_100016259895_100000696939 [0,1,0,1,0,0|1,0,0]=3 3340 B15R2.54379 CC=Cc1ccc2c(c1)OCCC2O 271570a_100016259895_100012676011 [0,1,0,1,0,0|1,0,0]=3 3341 B15R2.54379 CC=Cc1ccc2c(c1)OCCN2C 271570a_100016259895_100009812848 [0,1,0,1,0,0|1,0,0]=3 3342 B15R2.54379 CC=Cc1ccc2c(c1)OCC[C@H]2N 271570a_100016259895_100020639266 [0,1,0,1,0,0|1,0,0]=3 3343 B15R2.54379 CC=Cc1ccc2c(c1)SCCC2=O 271570a_100016259895_100010688399 [0,1,0,1,0,0|1,1,0]=4 3344 B15R2.54379 CC=Cc1cnc2c(c1)OCCC2=O 271570a_100016259895_100011092978 [0,1,0,1,0,0|2,0,0]=4 3345 B15R2.54379 CC=Cc1cnc2c(c1)OCCN2C 271570a_100016259895_100009816925 [0,1,0,1,0,0|2,0,0]=4 3346 B15R2.54452 CC=Cc1ccc2c(c1)CC(C2=O)C 271570a_100016259895_100010169280 [0,1,0,1,0,0|2,0,0]=4 3347 B15R2.56282 CC=Cc1cc(c2c(c1)CCC2=O)C 271570a_100016259895_100000721622 [0,1,0,1,0,0|2,0,0]=4 3348 B15R2.56282 CC=Cc1cc(c2c(c1)CCC2=O)F 271570a_100016259895_100010125705 [0,1,0,1,0,0|2,0,0]=4 3349 B15R2.10252 CC=Cc1ccc2c(c1)CCC(=O)O2 271570a_100016259895_100010179853 [0,1,0,1,0,0|1,0,1]=4 3350 B15R2.10252 CC=Cc1ccc2c(c1)CCC(N2)C 271570a_100016259895_100010333662 [0,1,0,1,0,0|2,0,0]=4 3351 B15R2.10252 CC=Cc1ccc2c(c1)CNC(C2)C 271570a_100016259895_200000706634 [0,1,0,1,0,0|2,0,0]=4 3352 B15R2.10252 CC=Cc1ccc2c(c1)OCC(=O)N2 271570a_100016259895_100000745508 [0,1,0,1,0,0|1,0,1]=4 3353 B15R2.16674 C=C=Cc1ccc2c(c1)OC(O2)(C)C 271570a_100015277604_100010187540 [0,1,0,1,0,0|0,0,2]=4 3354 B15R2.16674 CC=Cc1ccc2c(c1)OC(O2)(C)C 271570a_100016259895_100010187540 [0,1,0,1,0,0|0,0,0]=2 3355 B15R2.16674 CC=Cc1ccc2c(c1)OC(O2)(F)F 271570a_100016259895_100009813929 [0,1,0,1,0,0|1,0,0]=3 3356 B15R2.16674 CCNc1ccc2c(c1)OC(O2)(C)C 2230a_100000217601_100000210202 [0,1,0,1,0,0|1,0,1]=4 3357 B15R2.16674 CCNc1ccc2c(c1)OC(O2)(C)C 34a_100000217601_100000210202 [0,1,0,1,0,0|1,0,1]=4 3358 B15R2.16674 CCNc1ccc2c(c1)OC(O2)(C)C 7a_100000217601_100000210202 [0,1,0,1,0,0|1,0,1]=4 3359 B15R2.16674 CCSc1ccc2c(c1)OC(O2)(C)C 62a_100000210202_100010187540 [0,1,0,1,0,0|1,0,1]=4 3360 B15R2.352 C=CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000210623 [0,1,0,1,0,0|0,0,2]=4 3361 B15R2.352 C=CCNc1ccc2c(c1)OCCO2 34a_100020630400_100015514636 [0,1,0,1,0,0|0,0,2]=4 3362 B15R2.352 C=CCOc1ccc2c(c1)OCCO2 34a_100000234341_100015514636 [0,1,0,1,0,0|0,0,2]=4 3363 B15R2.352 C=CCSc1ccc2c(c1)OCCO2 62a_100000210623_100011216881 [0,1,0,1,0,0|0,0,2]=4 3364 B15R2.352 C=CCSc1ccc2c(c1)OCCO2 62a_100011216881_100000210623 [0,1,0,1,0,0|0,0,2]=4 3365 B15R2.352 CCCCc1ccc2c(c1)OCCO2 271570a_100020621405_100000184379 [0,1,0,1,0,0|0,0,2]=4 3366 B15R2.352 CCCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000210303 [0,1,0,1,0,0|0,0,2]=4 3367 B15R2.352 CCCNc1ccc2c(c1)OCCO2 34a_100020630400_100000210303 [0,1,0,1,0,0|0,0,2]=4 3368 B15R2.352 CCCOc1ccc2c(c1)OCCO2 34a_100000234341_100000210303 [0,1,0,1,0,0|0,0,2]=4 3369 B15R2.352 CCCSc1ccc2c(c1)OCCO2 62a_100000210303_100011216881 [0,1,0,1,0,0|0,0,2]=4 3370 B15R2.352 CCCSc1ccc2c(c1)OCCO2 62a_100011216881_100000210303 [0,1,0,1,0,0|0,0,2]=4 3371 B15R2.352 CCNCc1ccc2c(c1)OCCO2 207a_100015525214_100000184955 [0,1,0,1,0,0|0,0,2]=4 3372 B15R2.352 CCNCc1ccc2c(c1)OCCO2 2230a_100000684186_100000210202 [0,1,0,1,0,0|0,0,2]=4 3373 B15R2.352 CCNCc1ccc2c(c1)OCCO2 270004a_100015525214_100000184955 [0,1,0,1,0,0|0,0,2]=4 3374 B15R2.352 CCNCc1ccc2c(c1)OCCO2 34a_100000684186_100000210202 [0,1,0,1,0,0|0,0,2]=4 3375 B15R2.352 CCOCc1ccc2c(c1)OCCO2 34a_100000745213_100000210202 [0,1,0,1,0,0|0,0,2]=4 3376 B15R2.352 COCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000766300 [0,1,0,1,0,0|1,0,1]=4 3377 B15R2.352 COCSc1ccc2c(c1)OCCO2 62a_100000766300_100011216881 [0,1,0,1,0,0|1,0,1]=4 3378 B15R2.352 COCSc1ccc2c(c1)OCCO2 62a_100011216881_100000766300 [0,1,0,1,0,0|1,0,1]=4 3379 B15R2.352 CSCNc1ccc2c(c1)OCCO2 2230a_100020630400_100011218213 [0,1,0,1,0,0|1,0,1]=4 3380 B15R2.352 CSCNc1ccc2c(c1)OCCO2 34a_100020630400_100011218213 [0,1,0,1,0,0|1,0,1]=4 3381 B15R2.352 CSCOc1ccc2c(c1)OCCO2 34a_100000234341_100011218213 [0,1,0,1,0,0|1,0,1]=4 3382 B15R2.352 CSCSc1ccc2c(c1)OCCO2 62a_100011216881_100011218213 [0,1,0,1,0,0|1,0,1]=4 3383 B15R2.352 CSCSc1ccc2c(c1)OCCO2 62a_100011218213_100011216881 [0,1,0,1,0,0|1,0,1]=4 3384 B15R2.352 FCCNc1ccc2c(c1)OCCO2 2230a_100020630400_100011217306 [0,1,0,1,0,0|1,0,1]=4 3385 B15R2.352 FCCNc1ccc2c(c1)OCCO2 34a_100020630400_100011217306 [0,1,0,1,0,0|1,0,1]=4 3386 B15R2.352 FCCOc1ccc2c(c1)OCCO2 34a_100000234341_100011217306 [0,1,0,1,0,0|1,0,1]=4 3387 B15R2.352 FCCSc1ccc2c(c1)OCCO2 62a_100011216881_100011217306 [0,1,0,1,0,0|1,0,1]=4 3388 B15R2.352 FCCSc1ccc2c(c1)OCCO2 62a_100011217306_100011216881 [0,1,0,1,0,0|1,0,1]=4 3389 B15R2.352 FCNCc1ccc2c(c1)OCCO2 34a_100000684186_100015361967 [0,1,0,1,0,0|1,0,1]=4 3390 B15R2.352 FCOCc1ccc2c(c1)OCCO2 34a_100000745213_100015361967 [0,1,0,1,0,0|1,0,1]=4 3391 B15R2.352 O=CCNc1ccc2c(c1)OCCO2 2230a_100020630400_200015260668 [0,1,0,1,0,0|1,0,1]=4 3392 B15R2.352 O=CCNc1ccc2c(c1)OCCO2 34a_100020630400_200009817547 [0,1,0,1,0,0|1,0,1]=4 3393 B15R2.352 O=CCOc1ccc2c(c1)OCCO2 34a_100000234341_200009817547 [0,1,0,1,0,0|1,0,1]=4 3394 B15R2.352 O=CCSc1ccc2c(c1)OCCO2 62a_100011216881_200015260668 [0,1,0,1,0,0|1,0,1]=4 3395 B15R2.352 O=CCSc1ccc2c(c1)OCCO2 62a_200015260668_100011216881 [0,1,0,1,0,0|1,0,1]=4 3396 B15R2.352 OCCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000211926 [0,1,0,1,0,0|1,0,1]=4 3397 B15R2.352 OCCNc1ccc2c(c1)OCCO2 34a_100020630400_100000211926 [0,1,0,1,0,0|1,0,1]=4 3398 B15R2.352 OCCOc1ccc2c(c1)OCCO2 34a_100000234341_100000211926 [0,1,0,1,0,0|1,0,1]=4 3399 B15R2.352 OCCSc1ccc2c(c1)OCCO2 62a_100000211926_100011216881 [0,1,0,1,0,0|1,0,1]=4 3400 B15R2.352 OCCSc1ccc2c(c1)OCCO2 62a_100011216881_100000211926 [0,1,0,1,0,0|1,0,1]=4 3401 B15R2.888 CC=Cc1cc2c(cc1F)NCCC2 271570a_100016259895_100000762356 [0,1,0,1,0,0|2,0,0]=4 3402 B15R2.888 CC=Cc1cc2c(cc1F)OCCN2 271570a_100016259895_100012568745 [0,1,0,1,0,0|1,0,0]=3 3403 B15R2.888 CCNc1cc2c(cc1Cl)OCCO2 34a_100000739234_100000210202 [0,1,0,1,0,0|1,0,1]=4 3404 B15R2.888 CCOc1cc2ccccc2cc1Br 34a_100009817189_100000210202 [0,1,0,1,0,0|1,0,1]=4 3405 B15R2.888 CCOc1cc2ccccc2cc1Br 7a_100009817189_100000210202 [0,1,0,1,0,0|1,0,1]=4 3406 B15R2.888 CCOc1cc2ccccc2cc1C 34a_100000091601_100000210202 [0,1,0,1,0,0|1,0,1]=4 3407 B15R2.888 CCOc1cc2ccccc2cc1C 7a_100000091601_100000210202 [0,1,0,1,0,0|1,0,1]=4 3408 B15R2.888 CCOc1cc2ccccc2cc1N 34a_106744474703_100000210202 [0,1,0,1,0,0|1,0,1]=4 3409 B15R2.888 CCOc1cc2ccccc2cc1N 7a_106744474703_100000210202 [0,1,0,1,0,0|1,0,1]=4 3410 B15R2.888 CCOc1cc2cccnc2cc1Br 34a_200010153759_100000210202 [0,1,0,1,0,0|1,0,1]=4 3411 B15R2.888 CCOc1cc2cccnc2cc1Br 7a_200010153759_100000210202 [0,1,0,1,0,0|1,0,1]=4 3412 B15R2.888 CCSc1cc2ccccc2cc1O 62a_100000210202_100009817189 [0,1,0,1,0,0|0,1,1]=4 3413 B15R2.888 CCSc1cc2ncccc2cc1O 62a_100000210202_200010153759 [0,1,0,1,0,0|0,1,1]=4 3414 B15R2.888 CNCc1cc2c(cc1C)OCCO2 207a_100102657272_100000101720 [0,1,0,1,0,0|1,0,1]=4 3415 B15R2.888 CNCc1cc2c(cc1C)OCCO2 270004a_106832991635_100000101720 [0,1,0,1,0,0|1,0,1]=4 3416 B15R2.2220 C=C=Cc1ccc2c(c1C)OCCO2 271570a_100015277604_100010072848 [0,1,0,1,0,0|0,0,2]=4 3417 B15R2.2220 CC=Cc1ccc2c(c1C)NCCO2 271570a_100016259895_100010271709 [0,1,0,1,0,0|1,0,0]=3 3418 B15R2.2220 CC=Cc1ccc2c(c1C)OCCO2 271570a_100016259895_100010072848 [0,1,0,1,0,0|0,0,0]=2 3419 B15R2.2220 CC=Cc1ccc2c(c1O)CCCC2 271570a_100016259895_200010391107 [0,1,0,1,0,0|2,0,0]=4 3420 B15R2.2220 CCNc1ccc2ccccc2c1O 34a_100000007060_100000210202 [0,1,0,1,0,0|1,0,1]=4 3421 B15R2.2220 CCOc1ccc2ccccc2c1Br 34a_100000183829_100000210202 [0,1,0,1,0,0|1,0,1]=4 3422 B15R2.2220 CCOc1ccc2ccccc2c1Br 7a_100000183829_100000210202 [0,1,0,1,0,0|1,0,1]=4 3423 B15R2.2220 CCOc1ccc2ccccc2c1C 34a_100009830054_100000210202 [0,1,0,1,0,0|1,0,1]=4 3424 B15R2.2220 CCOc1ccc2ccccc2c1C 7a_100009830054_100000210202 [0,1,0,1,0,0|1,0,1]=4 3425 B15R2.2220 CCOc1ccc2ccccc2c1Cl 34a_100000029778_100000210202 [0,1,0,1,0,0|1,0,1]=4 3426 B15R2.2220 CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000210202 [0,1,0,1,0,0|1,0,1]=4 3427 B15R2.2220 CCOc1ccc2ccccc2c1I 34a_100000041551_100000210202 [0,1,0,1,0,0|1,0,1]=4 3428 B15R2.2220 CCOc1ccc2ccccc2c1I 7a_100000041551_100000210202 [0,1,0,1,0,0|1,0,1]=4 3429 B15R2.2220 CCOc1ccc2ccccc2c1N 34a_100000007056_100000210202 [0,1,0,1,0,0|1,0,1]=4 3430 B15R2.2220 CCOc1ccc2ccccc2c1N 7a_100000007056_100000210202 [0,1,0,1,0,0|1,0,1]=4 3431 B15R2.2220 CCOc1ccc2ccccc2c1O 271570a_203496583355_200000173018 [0,1,0,1,0,0|0,0,1]=3 3432 B15R2.2220 CCOc1ccc2cccnc2c1Br 34a_100010173343_100000210202 [0,1,0,1,0,0|1,0,1]=4 3433 B15R2.2220 CCOc1ccc2cccnc2c1Br 7a_100010173343_100000210202 [0,1,0,1,0,0|1,0,1]=4 3434 B15R2.2220 CCOc1ccc2ccncc2c1Br 34a_200010115057_100000210202 [0,1,0,1,0,0|1,0,1]=4 3435 B15R2.2220 CCOc1ccc2ccncc2c1Br 7a_200010115057_100000210202 [0,1,0,1,0,0|1,0,1]=4 3436 B15R2.2220 CCOc1ccc2cnccc2c1Cl 34a_100009824633_100000210202 [0,1,0,1,0,0|1,0,1]=4 3437 B15R2.2220 CCOc1ccc2cnccc2c1Cl 7a_100009824633_100000210202 [0,1,0,1,0,0|1,0,1]=4 3438 B15R2.2220 CCSc1ccc2c(c1C)OCCO2 62a_100000210202_100010072848 [0,1,0,1,0,0|1,0,1]=4 3439 B15R2.2220 CCSc1ccc2c(c1C)OCCO2 62a_100010072848_100000210202 [0,1,0,1,0,0|1,0,1]=4 3440 B15R2.2220 CCSc1ccc2ccccc2c1O 62a_100000210202_100009996032 [0,1,0,1,0,0|0,1,1]=4 3441 B15R2.2220 CCSc1ccc2cccnc2c1O 62a_100000210202_100009816563 [0,1,0,1,0,0|0,1,1]=4 3442 B15R2.886 CC=Cc1cc(c2c(c1)CNCC2)C 271570a_100016259895_100016068755 [0,1,0,1,0,0|2,0,0]=4 3443 B15R2.1282 CC=Cc1ccc2c(c1)CN(CC2)C 271570a_100016259895_100010157284 [0,1,0,1,0,0|2,0,0]=4 3444 B15R2.1282 CC=Cc1ccc2c(c1)NC(=O)CO2 271570a_100016259895_100000244627 [0,1,0,1,0,0|1,0,1]=4 3445 B15R2.1282 CC=Cc1ccc2c(c1)OC(CN2)C 271570a_100016259895_200010108538 [0,1,0,1,0,0|1,0,0]=3 3446 B15R2.10338 C=C=Cc1ccc2c(c1)OCCCO2 271570a_100015277604_100000739260 [0,1,0,1,0,0|0,0,2]=4 3447 B15R2.10338 CC=Cc1ccc2c(c1)NCCCC2 271570a_100016259895_100010199521 [0,1,0,1,0,0|2,0,0]=4 3448 B15R2.10338 CC=Cc1ccc2c(c1)OCCCO2 271570a_100016259895_100000739260 [0,1,0,1,0,0|0,0,0]=2 3449 B15R2.10338 CCNc1ccc2c(c1)OCCCO2 2230a_100000181267_100000210202 [0,1,0,1,0,0|1,0,1]=4 3450 B15R2.10338 CCNc1ccc2c(c1)OCCCO2 34a_100000181267_100000210202 [0,1,0,1,0,0|1,0,1]=4 3451 B15R2.10338 CCSc1ccc2c(c1)OCCCO2 62a_100000210202_100000739260 [0,1,0,1,0,0|1,0,1]=4 3452 B15R2.10338 CCSc1ccc2c(c1)OCCCO2 62a_100000739260_100000210202 [0,1,0,1,0,0|1,0,1]=4 3453 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 207a_100102657272_100000742767 [0,1,0,1,0,0|1,0,1]=4 3454 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 2230a_100000750700_200000210301 [0,1,0,1,0,0|1,0,1]=4 3455 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 2230a_106832991635_100000742768 [0,1,0,1,0,0|1,0,1]=4 3456 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 270004a_106832991635_100000742767 [0,1,0,1,0,0|1,0,1]=4 3457 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 34a_100000750700_200000210301 [0,1,0,1,0,0|1,0,1]=4 3458 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 34a_100102657272_100000742768 [0,1,0,1,0,0|1,0,1]=4 3459 B15R2.10338 CNCc1ccc2c(c1)OCCCO2 7a_106832991635_100000742768 [0,1,0,1,0,0|1,0,1]=4 3460 B15R2.10338 COCc1ccc2c(c1)OCCCO2 34a_100138415774_100000742768 [0,1,0,1,0,0|1,0,1]=4 3461 B15R2.10338 CSCc1ccc2c(c1)OCCCO2 62a_100000742768_200000210301 [0,1,0,1,0,0|1,0,1]=4 3462 B15R2.10338 CSCc1ccc2c(c1)OCCCO2 62a_200000210301_100000742768 [0,1,0,1,0,0|1,0,1]=4 3463 B15R2.10338 [13CH3]NCc1ccc2c(c1)OCCCO2 2230a_100000750700_200025704644 [0,1,0,1,0,0|1,0,1]=4 3464 B15R2.10338 [13CH3]NCc1ccc2c(c1)OCCCO2 34a_100000750700_200025704644 [0,1,0,1,0,0|1,0,1]=4 3465 B15R2.10338 [13CH3]SCc1ccc2c(c1)OCCCO2 62a_100000742768_200025704644 [0,1,0,1,0,0|1,0,1]=4 3466 B15R2.10338 [13CH3]SCc1ccc2c(c1)OCCCO2 62a_200025704644_100000742768 [0,1,0,1,0,0|1,0,1]=4 3467 B15R2.16675 CC=Cc1ccc2nn(cc2c1)CC 271570a_100016259895_200010157581 [0,1,0,1,0,0|2,0,0]=4 3468 B15R2.16675 CC=Cc1ccc2oc(cc2c1)CC 271570a_100016259895_200010233821 [0,1,0,1,0,0|1,0,0]=3 3469 B15R2.16675 CC=Cc1ccc2oc(cc2c1)CO 271570a_100016259895_100011934623 [0,1,0,1,0,0|1,0,1]=4 3470 B15R2.16675 CC=Cc1ccc2oc(nc2c1)CC 271570a_100016259895_100009817032 [0,1,0,1,0,0|1,0,0]=3 3471 B15R2.1601 CC(N[13CH3])c1ccc2c(c1)OCCO2 2230a_100000738497_200025704644 [0,1,0,1,0,0|1,0,1]=4 3472 B15R2.1601 CC(N[13CH3])c1ccc2c(c1)OCCO2 34a_100000738497_200025704644 [0,1,0,1,0,0|1,0,1]=4 3473 B15R2.1601 CCC(=O)c1ccc2c(c1)CCCO2 1458a_100011398765_100000210202 [0,1,0,1,0,0|1,0,1]=4 3474 B15R2.1601 CCC(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_100000210202 [0,1,0,1,0,0|0,0,1]=3 3475 B15R2.1601 CNC(=O)c1ccc2c(c1)CCCO2 11a_106832991635_100011398765 [0,1,0,1,0,0|2,0,0]=4 3476 B15R2.1601 CNC(=O)c1ccc2c(c1)CCCO2 1626a_100102657272_100011398765 [0,1,0,1,0,0|2,0,0]=4 3477 B15R2.1601 CNC(=O)c1ccc2c(c1)CCCO2 240690a_100102657272_100011398765 [0,1,0,1,0,0|2,0,0]=4 3478 B15R2.1601 CNC(=O)c1ccc2c(c1)CCCO2 527a_100102657272_100011398765 [0,1,0,1,0,0|2,0,0]=4 3479 B15R2.1601 CNC(=O)c1ccc2c(c1)OCCO2 11a_106832991635_100000182659 [0,1,0,1,0,0|1,0,0]=3 3480 B15R2.1601 CNC(=O)c1ccc2c(c1)OCCO2 1626a_100102657272_100000182659 [0,1,0,1,0,0|1,0,0]=3 3481 B15R2.1601 CNC(=O)c1ccc2c(c1)OCCO2 240690a_100102657272_100000182659 [0,1,0,1,0,0|1,0,0]=3 3482 B15R2.1601 CNC(=O)c1ccc2c(c1)OCCO2 527a_100102657272_100000182659 [0,1,0,1,0,0|1,0,0]=3 3483 B15R2.1601 CNC(C)c1ccc2c(c1)OCCO2 2230a_100000738497_200000210301 [0,1,0,1,0,0|1,0,1]=4 3484 B15R2.1601 CNC(C)c1ccc2c(c1)OCCO2 269862a_106832991636_100000182760 [0,1,0,1,0,0|1,0,1]=4 3485 B15R2.1601 CNC(C)c1ccc2c(c1)OCCO2 34a_100000738497_200000210301 [0,1,0,1,0,0|1,0,1]=4 3486 B15R2.1601 O=C(CF)c1ccc2c(c1)OCCO2 1458a_100000182659_100015361967 [0,1,0,1,0,0|1,0,1]=4 3487 B15R2.19280 CCC(=O)c1ccc2c(c1)CC(O2)C 1458a_100000189409_100000210202 [0,1,0,1,0,0|1,0,1]=4 3488 B15R2.19280 CNC(=O)c1ccc2c(c1)CC(O2)C 11a_106832991635_100000189409 [0,1,0,1,0,0|2,0,0]=4 3489 B15R2.19280 CNC(=O)c1ccc2c(c1)CC(O2)C 1626a_100102657272_100000189409 [0,1,0,1,0,0|2,0,0]=4 3490 B15R2.19280 CNC(=O)c1ccc2c(c1)CC(O2)C 240690a_100102657272_100000189409 [0,1,0,1,0,0|2,0,0]=4 3491 B15R2.19280 CNC(=O)c1ccc2c(c1)CC(O2)C 527a_100102657272_100000189409 [0,1,0,1,0,0|2,0,0]=4 3492 B15R2.19363 COC(=O)c1cc(c2c(c1)CCO2)O 271570a_203496583355_100021627132 [0,1,0,1,0,0|1,0,0]=3 3493 B15R2.19460 COC(=O)c1ccc(c(c1)O)C2CC2 271570a_100011220607_100012350776 [0,1,0,1,0,0|2,0,0]=4 3494 B15R2.54474 CCOc1ccc2c(c1C)COC2=O 7a_100010675704_100000210202 [0,1,0,1,0,0|2,0,0]=4 3495 B15R2.1290 C=C=Cc1ccc2c(c1)C(CCO2)O 271570a_100015277604_100000760992 [0,1,0,1,0,0|0,0,2]=4 3496 B15R2.1290 CC=Cc1ccc2c(c1)C(=O)CCC2 271570a_100016259895_100000760428 [0,1,0,1,0,0|1,0,1]=4 3497 B15R2.1290 CC=Cc1ccc2c(c1)C(=O)CCN2 271570a_100016259895_100000697366 [0,1,0,1,0,0|1,0,1]=4 3498 B15R2.1290 CC=Cc1ccc2c(c1)C(=O)CCO2 271570a_100016259895_100000243215 [0,1,0,1,0,0|0,0,1]=3 3499 B15R2.1290 CC=Cc1ccc2c(c1)C(=O)CCS2 271570a_100016259895_100000744447 [0,1,0,1,0,0|0,1,1]=4 3500 B15R2.1290 CC=Cc1ccc2c(c1)C(CCC2)N 271570a_100016259895_100011742594 [0,1,0,1,0,0|2,0,0]=4 3501 B15R2.1290 CC=Cc1ccc2c(c1)C(CCC2)O 271570a_100016259895_100011660633 [0,1,0,1,0,0|1,0,0]=3 3502 B15R2.1290 CC=Cc1ccc2c(c1)C(CCN2)C 271570a_100016259895_200013856564 [0,1,0,1,0,0|2,0,0]=4 3503 B15R2.1290 CC=Cc1ccc2c(c1)C(CCO2)O 271570a_100016259895_100000760992 [0,1,0,1,0,0|0,0,0]=2 3504 B15R2.1290 CC=Cc1ccc2c(c1)C(CCS2)N 271570a_100016259895_100000744474 [0,1,0,1,0,0|1,1,0]=4 3505 B15R2.1290 CC=Cc1ccc2c(c1)[C@H](CCO2)N 271570a_100016259895_100020639276 [0,1,0,1,0,0|1,0,0]=3 3506 B15R2.1290 CCSc1ccc2c(c1)C(CCO2)O 62a_100000210202_100000760992 [0,1,0,1,0,0|1,0,1]=4 3507 B15R2.1290 CCSc1ccc2c(c1)C(CCO2)O 62a_100000760992_100000210202 [0,1,0,1,0,0|1,0,1]=4 3508 B15R2.2215 CCSc1cc2[nH]ccc2cc1OC 62a_100000210202_100010245486 [0,1,0,1,0,0|1,1,0]=4 3509 B15R2.4367 CC=Cc1cc(c2c(c1)CCO2)C=O 271570a_100016259895_100000700315 [0,1,0,1,0,0|0,0,1]=3 3510 B15R2.7058 CCOc1ccc(cc1OC)C2CC2 271570a_100011220607_200012344064 [0,1,0,1,0,0|0,0,2]=4 3511 B15R2.16644 CC=Cc1ccc2c(c1)C(=O)C(C2)C 271570a_100016259895_100000694082 [0,1,0,1,0,0|1,0,1]=4 3512 B15R3.31603 c1cc2c(cc1C3CC3)OCCO2 271570a_100011220607_100000184379 [0,0,0,2,0,0|0,0,2]=4 3513 B11R1.127 CC=Cc1ccc(s1)CCC 271570a_100016259895_100010157708 [1,0,0,0,1,0|2,0,0]=4 3514 B11R1.127 CC=Cc1csc(n1)OCC 271570a_100016259895_100011934640 [1,0,0,0,1,0|2,0,0]=4 3515 B13R1.357 CC=Cc1cc(cc(c1)OCC)F 271570a_100016259895_100012343907 [0,0,0,0,1,1|1,0,0]=3 3516 B13R1.357 CC=Cc1cc(nc(n1)N)OCC 271570a_100016259895_100011996124 [0,0,0,0,1,1|2,0,0]=4 3517 B13R1.357 CC=Cc1cc(nc(n1)OCC)N 271570a_100016259895_200009876272 [0,0,0,0,1,1|2,0,0]=4 3518 B13R1.357 CCOc1cc(cc(c1)CNC)O 207a_100102657272_200010269883 [0,0,0,0,1,1|1,0,1]=4 3519 B13R1.357 CCOc1cc(cc(c1)CNC)O 270004a_106832991635_200010269883 [0,0,0,0,1,1|1,0,1]=4 3520 B13R1.384 CC=Cc1cc(c(cn1)N)OCC 271570a_100016259895_100015764953 [0,0,0,0,1,1|1,0,0]=3 3521 B13R1.384 CC=Cc1ccc(c(c1)CNC)O 271570a_100016259895_100011602694 [0,0,0,0,1,1|2,0,0]=4 3522 B13R1.384 CC=Cc1ccc(c(c1)NCC)N 271570a_100016259895_100000696630 [0,0,0,0,1,1|2,0,0]=4 3523 B13R1.384 CC=Cc1ccc(c(c1)OCC)C 271570a_100016259895_100012361169 [0,0,0,0,1,1|1,0,0]=3 3524 B13R1.384 CC=Cc1ccc(c(c1)OCC)F 271570a_100016259895_200012344967 [0,0,0,0,1,1|1,0,0]=3 3525 B13R1.384 CC=Cc1ccc(c(c1)OCC)N 271570a_100016259895_100000688918 [0,0,0,0,1,1|1,0,0]=3 3526 B13R1.384 CC=Cc1cnc(c(c1)OCC)F 271570a_100016259895_100010732568 [0,0,0,0,1,1|1,0,0]=3 3527 B13R1.384 CC=Cc1cnc(c(n1)OCC)N 271570a_100016259895_200010196039 [0,0,0,0,1,1|2,0,0]=4 3528 B13R1.384 CCOc1cc(ccc1O)CNC 34a_200000751567_200000210301 [0,0,0,0,1,1|1,0,1]=4 3529 B13R1.384 CCOc1cc(ccc1O)CN[13CH3] 34a_200000751567_200025704644 [0,0,0,0,1,1|1,0,1]=4 3530 B13R1.376 CC=Cc1cccc(c1N)OCC 271570a_100016259895_200103155331 [0,0,0,0,1,1|1,0,0]=3