0 B14R1.746 CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210202 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.746 CCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000204670 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.746 CCN(C)c1ccccc1C(=O)OC 34a_100000170468_100000210202 [0,0,0,0,0,0|3,0,0]=3 3 B14R1.746 CNC(=O)c1ccccc1C(=O)OC 1626a_100102657272_100011215673 [0,0,0,0,0,0|1,0,0]=1 4 B14R1.746 CNC(=O)c1ccccc1C(=O)OC 240690a_100102657272_100011215673 [0,0,0,0,0,0|1,0,0]=1 5 B14R1.746 COC(=O)c1ccccc1C(=O)CF 1458a_100011215673_100015361967 [0,0,0,0,0,0|2,0,0]=2 6 B14R1.746 COC(=O)c1ccccc1N(C)CF 269982a_100000170468_100015361967 [0,0,0,0,0,0|4,0,0]=4 7 B14R1.746 COC(=O)c1ccccc1N(C)CF 34a_100000170468_100015361967 [0,0,0,0,0,0|4,0,0]=4 8 B13R1.382 C=C=Cc1ccccc1C(=O)NC 271570a_100015277604_100000155073 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.382 C=C=Cc1ccccc1C(=O)OC 271570a_100015277604_100000148710 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.382 C=C=Cc1cccnc1C(=O)OC 271570a_100015277604_100011935214 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.382 C=C=Cc1ccncc1C(=O)OC 271570a_100015277604_100020629055 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.382 C=C=Cc1cnccc1C(=O)OC 271570a_100015277604_100010008606 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.382 C=C=Cc1ncccc1C(=O)OC 271570a_100015277604_100000150852 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.382 CC=Cc1ccccc1C(=O)NC 271570a_100016259895_100000155073 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.382 CC=Cc1ccccc1C(=O)NN 271570a_100016259895_100000190081 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.382 CC=Cc1ccccc1C(=O)OC 271570a_100016259895_100000148710 [1,0,0,0,0,0|1,0,0]=2 17 B13R1.382 CC=Cc1cccnc1C(=O)OC 271570a_100016259895_100011935214 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.382 CC=Cc1ccncc1C(=O)OC 271570a_100016259895_100020629055 [1,0,0,0,0,0|2,0,0]=3 19 B13R1.382 CC=Cc1cnccc1C(=O)OC 271570a_100016259895_100010008606 [1,0,0,0,0,0|2,0,0]=3 20 B13R1.382 CC=Cc1cncnc1C(=O)OC 271570a_100016259895_100012360100 [1,0,0,0,0,0|3,0,0]=4 21 B13R1.382 CC=Cc1ncccc1C(=O)NC 271570a_100016259895_100000159833 [1,0,0,0,0,0|3,0,0]=4 22 B13R1.382 CC=Cc1ncccc1C(=O)OC 271570a_100016259895_100000150852 [1,0,0,0,0,0|2,0,0]=3 23 B13R1.382 CC=Cc1nccnc1C(=O)OC 271570a_100016259895_100000688410 [1,0,0,0,0,0|3,0,0]=4 24 B13R1.382 CC=Cc1ncncc1C(=O)OC 271570a_100016259895_100000726419 [1,0,0,0,0,0|3,0,0]=4 25 B13R1.382 CCC(=O)c1ccccc1COC 1458a_100000737999_100000210202 [1,0,0,0,0,0|1,0,1]=3 26 B13R1.382 CCNc1ccccc1C(=O)NC 27a_100015525214_100000155073 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.382 CCNc1ccccc1C(=O)NC 34a_100000185696_100000210202 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.382 CCNc1ncccc1C(=O)OC 27a_100015525214_100000150852 [1,0,0,0,0,0|3,0,0]=4 29 B13R1.382 CCOc1ccccc1C(=O)CC 1458a_100000211144_100000210202 [1,0,0,0,0,0|3,0,0]=4 30 B13R1.382 CCOc1ccccc1C(=O)CC 7a_100000184720_100000210202 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.382 CCOc1ccccc1C(=O)NC 11a_106832991635_100000211144 [1,0,0,0,0,0|3,0,0]=4 32 B13R1.382 CCOc1ccccc1C(=O)NC 1626a_100102657272_100000211144 [1,0,0,0,0,0|3,0,0]=4 33 B13R1.382 CCOc1ccccc1C(=O)NC 240690a_100102657272_100000211144 [1,0,0,0,0,0|3,0,0]=4 34 B13R1.382 CCOc1ccccc1C(=O)NC 34a_100000185920_100000210202 [1,0,0,0,0,0|3,0,0]=4 35 B13R1.382 CCOc1ccccc1C(=O)NC 527a_100102657272_100000211144 [1,0,0,0,0,0|3,0,0]=4 36 B13R1.382 CCOc1ccccc1C(=O)NC 7a_100000185920_100000210202 [1,0,0,0,0,0|3,0,0]=4 37 B13R1.382 CCOc1ccccc1C(=O)OC 7a_100000150335_100000210202 [1,0,0,0,0,0|2,0,0]=3 38 B13R1.382 CCOc1cccnc1C(=O)OC 34a_100000744052_100000210202 [1,0,0,0,0,0|3,0,0]=4 39 B13R1.382 CCOc1cccnc1C(=O)OC 7a_100000744052_100000210202 [1,0,0,0,0,0|3,0,0]=4 40 B13R1.382 CCSc1ccccc1C(=O)CC 1458a_100000195471_100000210202 [1,0,0,0,0,0|3,0,0]=4 41 B13R1.382 CCSc1ccccc1C(=O)NC 11a_106832991635_100000195471 [1,0,0,0,0,0|3,0,0]=4 42 B13R1.382 CCSc1ccccc1C(=O)NC 1626a_100102657272_100000195471 [1,0,0,0,0,0|3,0,0]=4 43 B13R1.382 CCSc1ccccc1C(=O)NC 240690a_100102657272_100000195471 [1,0,0,0,0,0|3,0,0]=4 44 B13R1.382 CCSc1ccccc1C(=O)NC 527a_100102657272_100000195471 [1,0,0,0,0,0|3,0,0]=4 45 B13R1.382 CCSc1ccccc1C(=O)NC 62a_100000155073_100000210202 [1,0,0,0,0,0|3,0,0]=4 46 B13R1.382 CCSc1ccccc1C(=O)NC 62a_100000210202_100000155073 [1,0,0,0,0,0|3,0,0]=4 47 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000148710_100000210202 [1,0,0,0,0,0|2,0,0]=3 48 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000210202_100000148710 [1,0,0,0,0,0|2,0,0]=3 49 B13R1.382 CCSc1ccccc1C(=O)O[Na] 62a_100000210202_114855342371 [1,0,0,0,0,0|3,0,0]=4 50 B13R1.382 CCSc1cccnc1C(=O)OC 62a_100000210202_100011935214 [1,0,0,0,0,0|3,0,0]=4 51 B13R1.382 CCSc1cccnc1C(=O)OC 62a_100011935214_100000210202 [1,0,0,0,0,0|3,0,0]=4 52 B13R1.382 CCSc1ccncc1C(=O)OC 62a_100000210202_100020629055 [1,0,0,0,0,0|3,0,0]=4 53 B13R1.382 CCSc1ccncc1C(=O)OC 62a_100020629055_100000210202 [1,0,0,0,0,0|3,0,0]=4 54 B13R1.382 CCSc1cnccc1C(=O)OC 62a_100000210202_100010008606 [1,0,0,0,0,0|3,0,0]=4 55 B13R1.382 CCSc1cnccc1C(=O)OC 62a_100010008606_100000210202 [1,0,0,0,0,0|3,0,0]=4 56 B13R1.382 CCSc1ncccc1C(=O)OC 62a_100000210202_100000150852 [1,0,0,0,0,0|3,0,0]=4 57 B13R1.382 CCSc1ncccc1C(=O)OC 62a_100011587185_100000210202 [1,0,0,0,0,0|3,0,0]=4 58 B13R1.382 CNC(=O)c1ccccc1COC 11a_106832991635_100000737999 [1,0,0,0,0,0|1,0,1]=3 59 B13R1.382 CNC(=O)c1ccccc1COC 1626a_100102657272_100000737999 [1,0,0,0,0,0|1,0,1]=3 60 B13R1.382 CNC(=O)c1ccccc1COC 240690a_100102657272_100000737999 [1,0,0,0,0,0|1,0,1]=3 61 B13R1.382 CNC(=O)c1ccccc1COC 34a_100009855793_200000210301 [1,0,0,0,0,0|1,0,1]=3 62 B13R1.382 CNC(=O)c1ccccc1COC 527a_100102657272_100000737999 [1,0,0,0,0,0|1,0,1]=3 63 B13R1.382 CNC(=O)c1ccccc1COC 7a_100009855793_200000210301 [1,0,0,0,0,0|1,0,1]=3 64 B13R1.382 CNC(=O)c1ccccc1CO[13CH3] 34a_100009855793_200025704644 [1,0,0,0,0,0|1,0,1]=3 65 B13R1.382 CNC(=O)c1ccccc1CO[13CH3] 7a_100009855793_200025704644 [1,0,0,0,0,0|1,0,1]=3 66 B13R1.382 CNCc1ccccc1C(=O)OC 2230a_106832991635_100000744672 [1,0,0,0,0,0|1,0,1]=3 67 B13R1.382 CNCc1ccccc1C(=O)OC 34a_100102657272_100000744672 [1,0,0,0,0,0|1,0,1]=3 68 B13R1.382 CNCc1ccccc1C(=O)OC 7a_106832991635_100000744672 [1,0,0,0,0,0|1,0,1]=3 69 B13R1.382 CNCc1cccnc1C(=O)OC 2230a_106832991635_100010177730 [1,0,0,0,0,0|2,0,1]=4 70 B13R1.382 CNCc1cccnc1C(=O)OC 34a_100102657272_100010177730 [1,0,0,0,0,0|2,0,1]=4 71 B13R1.382 CNCc1cccnc1C(=O)OC 7a_106832991635_100010177730 [1,0,0,0,0,0|2,0,1]=4 72 B13R1.382 CNCc1ncccc1C(=O)OC 2230a_106832991635_100000709840 [1,0,0,0,0,0|2,0,1]=4 73 B13R1.382 CNCc1ncccc1C(=O)OC 34a_100102657272_100012347567 [1,0,0,0,0,0|2,0,1]=4 74 B13R1.382 CNCc1ncccc1C(=O)OC 7a_106832991635_100000709840 [1,0,0,0,0,0|2,0,1]=4 75 B13R1.382 COC(=O)c1ccccc1CSC 62a_100000744672_200000210301 [1,0,0,0,0,0|0,1,1]=3 76 B13R1.382 COC(=O)c1ccccc1CSC 62a_200000210301_100000744672 [1,0,0,0,0,0|0,1,1]=3 77 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_100000744672_200025704644 [1,0,0,0,0,0|0,1,1]=3 78 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_200025704644_100000744672 [1,0,0,0,0,0|0,1,1]=3 79 B13R1.382 COC(=O)c1ccccc1OCF 7a_100000150335_100015361967 [1,0,0,0,0,0|3,0,0]=4 80 B13R1.382 COC(=O)c1ccccc1SCF 62a_100000148710_100015361967 [1,0,0,0,0,0|3,0,0]=4 81 B13R1.382 COC(=O)c1ccccc1SCF 62a_100015361967_100000148710 [1,0,0,0,0,0|3,0,0]=4 82 B13R1.382 COC(=O)c1cccnc1CSC 62a_100000709840_200000210301 [1,0,0,0,0,0|1,1,1]=4 83 B13R1.382 COC(=O)c1cccnc1CSC 62a_200000210301_100000709840 [1,0,0,0,0,0|1,1,1]=4 84 B13R1.382 COC(=O)c1cccnc1CS[13CH3] 62a_100000709840_200025704644 [1,0,0,0,0,0|1,1,1]=4 85 B13R1.382 COC(=O)c1cccnc1CS[13CH3] 62a_200025704644_100000709840 [1,0,0,0,0,0|1,1,1]=4 86 B13R1.382 COC(=O)c1ncccc1CSC 62a_100010177730_200000210301 [1,0,0,0,0,0|1,1,1]=4 87 B13R1.382 COC(=O)c1ncccc1CSC 62a_200000210301_100010177730 [1,0,0,0,0,0|1,1,1]=4 88 B13R1.382 COC(=O)c1ncccc1CS[13CH3] 62a_100010177730_200025704644 [1,0,0,0,0,0|1,1,1]=4 89 B13R1.382 COC(=O)c1ncccc1CS[13CH3] 62a_200025704644_100010177730 [1,0,0,0,0,0|1,1,1]=4 90 B13R1.382 COCc1ccccc1C(=O)CF 1458a_100000737999_100015361967 [1,0,0,0,0,0|2,0,1]=4 91 B13R1.382 COCc1ccccc1C(=O)OC 34a_100138415774_100000744672 [1,0,0,0,0,0|0,0,1]=2 92 B13R1.382 COCc1cccnc1C(=O)OC 34a_100138415774_100010177730 [1,0,0,0,0,0|1,0,1]=3 93 B13R1.382 COCc1ncccc1C(=O)OC 34a_100138415774_100012347567 [1,0,0,0,0,0|1,0,1]=3 94 B13R1.547 C=C(C)c1ccccc1C(=O)NC 271570a_100000694244_100000155073 [1,0,0,0,0,0|2,0,0]=3 95 B13R1.547 C=C(C)c1ccccc1C(=O)NN 271570a_100000694244_100000190081 [1,0,0,0,0,0|3,0,0]=4 96 B13R1.547 C=C(C)c1ccccc1C(=O)OC 271570a_100000694244_100000148710 [1,0,0,0,0,0|1,0,0]=2 97 B13R1.547 C=C(C)c1cccnc1C(=O)OC 271570a_100000694244_100011935214 [1,0,0,0,0,0|2,0,0]=3 98 B13R1.547 C=C(C)c1ccncc1C(=O)OC 271570a_100000694244_100020629055 [1,0,0,0,0,0|2,0,0]=3 99 B13R1.547 C=C(C)c1cnccc1C(=O)OC 271570a_100000694244_100010008606 [1,0,0,0,0,0|2,0,0]=3 100 B13R1.547 C=C(C)c1cncnc1C(=O)OC 271570a_100000694244_100012360100 [1,0,0,0,0,0|3,0,0]=4 101 B13R1.547 C=C(C)c1ncccc1C(=O)NC 271570a_100000694244_100000159833 [1,0,0,0,0,0|3,0,0]=4 102 B13R1.547 C=C(C)c1ncccc1C(=O)OC 271570a_100000694244_100000150852 [1,0,0,0,0,0|2,0,0]=3 103 B13R1.547 C=C(C)c1nccnc1C(=O)OC 271570a_100000694244_100000688410 [1,0,0,0,0,0|3,0,0]=4 104 B13R1.547 C=C(C)c1ncncc1C(=O)OC 271570a_100000694244_100000726419 [1,0,0,0,0,0|3,0,0]=4 105 B13R1.547 CCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000210202 [1,0,0,0,0,0|2,0,1]=4 106 B13R1.547 CCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000210202 [1,0,0,0,0,0|2,0,1]=4 107 B13R1.547 CCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000210202 [1,0,0,0,0,0|3,0,0]=4 108 B13R1.547 CCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210202 [1,0,0,0,0,0|2,0,0]=3 109 B13R1.547 CCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000210202 [1,0,0,0,0,0|2,0,1]=4 110 B13R1.547 CNC(=O)c1ccccc1C(C)C 11a_106832991635_100011941426 [1,0,0,0,0,0|2,0,1]=4 111 B13R1.547 CNC(=O)c1ccccc1C(C)C 1626a_100102657272_100011941426 [1,0,0,0,0,0|2,0,1]=4 112 B13R1.547 CNC(=O)c1ccccc1C(C)C 240690a_100102657272_100011941426 [1,0,0,0,0,0|2,0,1]=4 113 B13R1.547 CNC(=O)c1ccccc1C(C)C 527a_100102657272_100011941426 [1,0,0,0,0,0|2,0,1]=4 114 B13R1.547 CNC(=O)c1ccccc1I(=O)=O 1626a_100102657272_100000061294 [1,0,0,0,0,0|2,0,1]=4 115 B13R1.547 CNC(=O)c1ccccc1I(=O)=O 240690a_100102657272_100000061294 [1,0,0,0,0,0|2,0,1]=4 116 B13R1.547 CNC(=O)c1ccccc1N(C)C 11a_106832991635_100011218752 [1,0,0,0,0,0|3,0,0]=4 117 B13R1.547 CNC(=O)c1ccccc1N(C)C 1626a_100102657272_100011218752 [1,0,0,0,0,0|3,0,0]=4 118 B13R1.547 CNC(=O)c1ccccc1N(C)C 240690a_100102657272_100011218752 [1,0,0,0,0,0|3,0,0]=4 119 B13R1.547 CNC(=O)c1ccccc1N(C)C 27a_100102631434_100000155073 [1,0,0,0,0,0|3,0,0]=4 120 B13R1.547 CNC(=O)c1ccccc1N(C)C 527a_100102657272_100011218752 [1,0,0,0,0,0|3,0,0]=4 121 B13R1.547 CNC(=O)c1ccccc1S(=O)C 1626a_100102657272_100000204632 [1,0,0,0,0,0|2,0,0]=3 122 B13R1.547 CNC(=O)c1ccccc1S(=O)C 240690a_100102657272_100000204632 [1,0,0,0,0,0|2,0,0]=3 123 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 11a_106832991635_100000188706 [1,0,0,0,0,0|2,0,1]=4 124 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 1626a_100102657272_100000188706 [1,0,0,0,0,0|2,0,1]=4 125 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 240690a_100102657272_100000188706 [1,0,0,0,0,0|2,0,1]=4 126 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 527a_100102657272_100000188706 [1,0,0,0,0,0|2,0,1]=4 127 B13R1.547 COC(=O)c1ccccc1C(=O)C 1458a_100011215673_200000210301 [1,0,0,0,0,0|0,0,0]=1 128 B13R1.547 COC(=O)c1ccccc1C(=O)[13CH3] 1458a_100011215673_200025704644 [1,0,0,0,0,0|0,0,0]=1 129 B13R1.547 COC(=O)c1ccccc1N(C)C 269982a_100000170468_200000210301 [1,0,0,0,0,0|2,0,0]=3 130 B13R1.547 COC(=O)c1ccccc1N(C)C 34a_100000170468_200000210301 [1,0,0,0,0,0|2,0,0]=3 131 B13R1.547 COC(=O)c1ccccc1N(C)[13CH3] 269982a_100000170468_200025704644 [1,0,0,0,0,0|2,0,0]=3 132 B13R1.547 COC(=O)c1ccccc1N(C)[13CH3] 34a_100000170468_200025704644 [1,0,0,0,0,0|2,0,0]=3 133 B13R1.547 COC(=O)c1cccnc1N(C)C 27a_100102631434_100000150852 [1,0,0,0,0,0|3,0,0]=4 134 B13R1.547 CS(=O)c1ccccc1C(=O)CF 1458a_100000204632_100015361967 [1,0,0,0,0,0|3,0,0]=4 135 B15R1.812 C#CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000184674 [0,1,0,0,0,0|1,0,1]=3 136 B15R1.812 C=CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210623 [0,1,0,0,0,0|1,0,1]=3 137 B15R1.812 CCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210303 [0,1,0,0,0,0|1,0,0]=2 138 B15R1.812 CCCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000210303 [0,1,0,0,0,0|3,0,0]=4 139 B15R1.812 CCCN(C)c1ccccc1C(=O)OC 34a_100000170468_100000210303 [0,1,0,0,0,0|3,0,0]=4 140 B15R1.812 CCNC(=O)c1ccccc1C(=O)OC 240690a_100015525214_100011215673 [0,1,0,0,0,0|1,0,0]=2 141 B15R1.812 CCOC(=O)c1ccccc1N(C)CC 2230a_100160572725_100000210202 [0,1,0,0,0,0|3,0,0]=4 142 B15R1.812 CCOC(=O)c1ccccc1N(C)CC 269982a_100160572725_100000204670 [0,1,0,0,0,0|3,0,0]=4 143 B15R1.812 CNNC(=O)c1ccccc1C(=O)OC 22a_100016993582_100011215673 [0,1,0,0,0,0|1,0,0]=2 144 B15R1.812 COC(=O)c1ccccc1C(=O)CC#N 1458a_100011215673_100011214920 [0,1,0,0,0,0|1,0,1]=3 145 B15R1.812 COC(=O)c1ccccc1C(=O)CCF 1458a_100011215673_100011217306 [0,1,0,0,0,0|1,0,0]=2 146 B15R1.812 COC(=O)c1ccccc1C(=O)CCO 1458a_100011215673_100000211926 [0,1,0,0,0,0|1,0,0]=2 147 B15R1.812 COC(=O)c1ccccc1N(C)CCF 269982a_100000170468_100011217306 [0,1,0,0,0,0|3,0,0]=4 148 B15R1.812 COC(=O)c1ccccc1N(C)CCF 34a_100000170468_100011217306 [0,1,0,0,0,0|3,0,0]=4 149 B15R1.812 COC(=O)c1ccccc1N(C)CCO 269982a_100000170468_100000211926 [0,1,0,0,0,0|3,0,0]=4 150 B15R1.812 COC(=O)c1ccccc1N(C)CCO 34a_100000170468_100000211926 [0,1,0,0,0,0|3,0,0]=4 151 B15R1.812 COC(=O)c1ccccc1N(C)CSC 269982a_100000170468_100011218213 [0,1,0,0,0,0|2,1,0]=4 152 B15R1.812 COC(=O)c1ccccc1N(C)CSC 34a_100000170468_100011218213 [0,1,0,0,0,0|2,1,0]=4 153 B15R1.812 COCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000766300 [0,1,0,0,0,0|2,0,0]=3 154 B15R1.984 CCC(=O)c1ccccc1C(=O)N(C)C 1458a_200000753992_100000210202 [0,1,0,0,0,0|2,0,0]=3 155 B15R1.984 CN(C)C(=O)c1ccccc1C(=O)CF 1458a_200000753992_100015361967 [0,1,0,0,0,0|3,0,0]=4 156 B15R1.984 CNC(=O)c1ccccc1C(=C(C)C)C 271570a_200000049429_100000155073 [0,1,0,0,0,0|3,0,0]=4 157 B15R1.984 CNC(=O)c1ccccc1C(=O)N(C)C 240690a_100102657272_200000753992 [0,1,0,0,0,0|2,0,0]=3 158 B15R1.984 COC(=O)c1ccccc1C(=C(C)C)C 271570a_200000049429_100000148710 [0,1,0,0,0,0|2,0,0]=3 159 B15R1.984 COC(=O)c1ccccc1C(=O)C(C)C 1458a_100011215673_100000210206 [0,1,0,0,0,0|1,0,0]=2 160 B15R1.984 COC(=O)c1ccccc1C(=O)N(C)C 1626a_100102631434_100011215673 [0,1,0,0,0,0|1,0,0]=2 161 B15R1.984 COC(=O)c1ccccc1C(=O)N(C)C 240690a_100102631434_100011215673 [0,1,0,0,0,0|1,0,0]=2 162 B15R1.984 COC(=O)c1ccccc1N(C)C(=O)C 11a_100000170468_100015343762 [0,1,0,0,0,0|3,0,0]=4 163 B15R1.984 COC(=O)c1ccccc1N(C)C(=O)C 1626a_100000170468_100015343762 [0,1,0,0,0,0|3,0,0]=4 164 B15R1.984 COC(=O)c1ccccc1N(C)C(C)C 269982a_100000170468_100000210206 [0,1,0,0,0,0|3,0,0]=4 165 B15R1.984 COC(=O)c1ccccc1N(C)C(C)C 34a_100000170468_100000210206 [0,1,0,0,0,0|3,0,0]=4 166 B15R1.984 COC(=O)c1cccnc1C(=C(C)C)C 271570a_200000049429_100000150852 [0,1,0,0,0,0|3,0,0]=4 167 B15R1.984 COC(=O)c1ccncc1C(=C(C)C)C 271570a_200000049429_100010008606 [0,1,0,0,0,0|3,0,0]=4 168 B15R1.984 COC(=O)c1cnccc1C(=C(C)C)C 271570a_200000049429_100020629055 [0,1,0,0,0,0|3,0,0]=4 169 B15R1.984 COC(=O)c1ncccc1C(=C(C)C)C 271570a_200000049429_100011935214 [0,1,0,0,0,0|3,0,0]=4 170 B15R1.11752 CCC(=O)c1ccccc1S(=O)(=O)CC 1458a_100000199001_100000210202 [0,1,0,0,0,0|3,0,0]=4 171 B15R1.11752 CCS(=O)(=O)c1ccccc1C(=O)NC 11a_106832991635_100000199001 [0,1,0,0,0,0|3,0,0]=4 172 B15R1.11752 CCS(=O)(=O)c1ccccc1C(=O)NC 1626a_100102657272_100000199001 [0,1,0,0,0,0|3,0,0]=4 173 B15R1.11752 CCS(=O)(=O)c1ccccc1C(=O)NC 240690a_100102657272_100000199001 [0,1,0,0,0,0|3,0,0]=4 174 B15R1.11752 CNS(=O)(=O)c1ccccc1C(=O)OC 270084a_100102657272_100000182957 [0,1,0,0,0,0|2,0,0]=3 175 B15R1.11752 CNS(=O)(=O)c1ccccc1C(=O)OC 274078a_100102657272_100000182957 [0,1,0,0,0,0|2,0,0]=3 176 B15R1.11752 CNS(=O)(=O)c1ccccc1C(=O)OC 40a_100102657272_200015196601 [0,1,0,0,0,0|2,0,0]=3 177 B15R1.38509 CCC(=O)c1c(cccc1C(=O)OC)Br 1458a_100010710481_100000210202 [0,1,0,0,0,0|1,0,0]=2 178 B15R1.38509 CCN(C)c1cccc(c1C(=O)OC)Cl 269982a_200010565112_100000204670 [0,1,0,0,0,0|3,0,0]=4 179 B15R1.38509 CCN(C)c1cccc(c1C(=O)OC)Cl 34a_200010565112_100000210202 [0,1,0,0,0,0|3,0,0]=4 180 B15R1.38509 CNC(=O)c1c(cccc1C(=O)OC)Br 1626a_100102657272_100010710481 [0,1,0,0,0,0|1,0,0]=2 181 B15R1.38509 CNC(=O)c1c(cccc1C(=O)OC)Br 240690a_100102657272_100010710481 [0,1,0,0,0,0|1,0,0]=2 182 B15R1.38509 CNC(=O)c1c(cccc1C(=O)OC)Br 527a_100102657272_100010710481 [0,1,0,0,0,0|1,0,0]=2 183 B15R1.38509 COC(=O)c1cccc(c1C(=O)CF)Br 1458a_100010710481_100015361967 [0,1,0,0,0,0|2,0,0]=3 184 B15R1.38509 COC(=O)c1cccc(c1C(=O)OC)O 271570a_203496583355_200010231110 [0,1,0,0,0,0|0,0,0]=1 185 B15R1.38521 CCC(=O)c1cc(ccc1C(=O)OC)F 1458a_200010710419_100000210202 [0,1,0,0,0,0|1,0,0]=2 186 B15R1.38521 CCN(C)c1cc(ccc1C(=O)OC)Br 269982a_200160487225_100000204670 [0,1,0,0,0,0|3,0,0]=4 187 B15R1.38521 CCN(C)c1cc(ccc1C(=O)OC)Br 34a_200160487225_100000210202 [0,1,0,0,0,0|3,0,0]=4 188 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)Br 269982a_200000216482_100000204670 [0,1,0,0,0,0|3,0,0]=4 189 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)Br 34a_200000216482_100000210202 [0,1,0,0,0,0|3,0,0]=4 190 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)Br 7a_200000216482_100000210202 [0,1,0,0,0,0|3,0,0]=4 191 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)Cl 269982a_100000216484_100000204670 [0,1,0,0,0,0|3,0,0]=4 192 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)Cl 34a_100000216484_100000210202 [0,1,0,0,0,0|3,0,0]=4 193 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)Cl 38a_100000216484_100000204670 [0,1,0,0,0,0|3,0,0]=4 194 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)F 269982a_100011806480_100000204670 [0,1,0,0,0,0|3,0,0]=4 195 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)F 34a_100011806480_100000210202 [0,1,0,0,0,0|3,0,0]=4 196 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)F 38a_100011806480_100000204670 [0,1,0,0,0,0|3,0,0]=4 197 B15R1.38521 CNC(=O)c1cc(ccc1C(=O)OC)F 1626a_100102657272_200010710419 [0,1,0,0,0,0|1,0,0]=2 198 B15R1.38521 CNC(=O)c1cc(ccc1C(=O)OC)F 240690a_100102657272_200010710419 [0,1,0,0,0,0|1,0,0]=2 199 B15R1.38521 COC(=O)c1cc(cnc1C(=O)OC)O 271570a_203496583355_100010218851 [0,1,0,0,0,0|1,0,0]=2 200 B15R1.38521 COC(=O)c1ccc(cc1C(=O)CF)F 1458a_200010710419_100015361967 [0,1,0,0,0,0|2,0,0]=3 201 B15R1.38521 COC(=O)c1ccc(cc1C(=O)OC)O 271570a_203496583355_100012352768 [0,1,0,0,0,0|0,0,0]=1 202 B15R1.38521 COC(=O)c1ccc(nc1C(=O)OC)O 271570a_203496583355_100010138440 [0,1,0,0,0,0|1,0,0]=2 203 B15R2.19310 CCC(=O)c1cccc2c1C(=O)NC2 1458a_100000103835_100000210202 [0,0,0,1,0,0|2,0,0]=3 204 B15R2.19310 CNC(=O)c1cccc2c1C(=O)NC2 11a_106832991635_100000103835 [0,0,0,1,0,0|2,0,0]=3 205 B15R2.19310 CNC(=O)c1cccc2c1C(=O)NC2 1626a_100102657272_100000103835 [0,0,0,1,0,0|2,0,0]=3 206 B15R2.19310 CNC(=O)c1cccc2c1C(=O)NC2 240690a_100102657272_100000103835 [0,0,0,1,0,0|2,0,0]=3 207 B15R2.19310 CNC(=O)c1cccc2c1C(=O)NC2 527a_100102657272_100000103835 [0,0,0,1,0,0|2,0,0]=3 208 B15R2.19310 CNC(=O)c1cccc2c1c(=O)[nH][nH]2 240690a_100102657272_100000074133 [0,0,0,1,0,0|3,0,0]=4 209 B15R2.19310 COC(=O)c1cccc2c1c(n[nH]2)O 271570a_203496583355_100010186041 [0,0,0,1,0,0|2,0,1]=4 210 B15R2.19310 O=C(CF)c1cccc2c1C(=O)NC2 1458a_100000103835_100015361967 [0,0,0,1,0,0|3,0,0]=4 211 B15R2.21211 CSc1cn(c(=O)c2c1cccc2)C 62a_100000239302_200000210301 [0,0,0,1,0,0|2,1,0]=4 212 B15R2.21211 CSc1cn(c(=O)c2c1cccc2)C 62a_200000210301_100000239302 [0,0,0,1,0,0|2,1,0]=4 213 B15R2.21211 Cn1cc(c2ccccc2c1=O)S[13CH3] 62a_100000239302_200025704644 [0,0,0,1,0,0|2,1,0]=4 214 B15R2.21211 Cn1cc(c2ccccc2c1=O)S[13CH3] 62a_200025704644_100000239302 [0,0,0,1,0,0|2,1,0]=4 215 B15R2.22222 CNc1ccc(c2c1cccc2)OC 34a_100020629631_200000210301 [0,0,0,1,0,0|3,0,0]=4 216 B15R2.22222 COc1ccc(c2c1cccc2)N[13CH3] 34a_100020629631_200025704644 [0,0,0,1,0,0|3,0,0]=4 217 B15R2.22222 COc1ccc(c2c1cccc2)OC 34a_100000032393_200000210301 [0,0,0,1,0,0|2,0,0]=3 218 B15R2.22222 COc1ccc(c2c1cccc2)OC 7a_100000032393_200000210301 [0,0,0,1,0,0|2,0,0]=3 219 B15R2.22222 COc1ccc(c2c1cccc2)O[13CH3] 34a_100000032393_200025704644 [0,0,0,1,0,0|2,0,0]=3 220 B15R2.22222 COc1ccc(c2c1cccc2)O[13CH3] 7a_100000032393_200025704644 [0,0,0,1,0,0|2,0,0]=3 221 B15R2.22222 COc1ccc(c2c1cccn2)OC 34a_100009853971_200000210301 [0,0,0,1,0,0|3,0,0]=4 222 B15R2.22222 COc1ccc(c2c1cccn2)O[13CH3] 34a_100009853971_200025704644 [0,0,0,1,0,0|3,0,0]=4 223 B15R2.22222 COc1cnc(c2c1cccc2)SC 62a_200000210301_100009847308 [0,0,0,1,0,0|2,1,0]=4 224 B15R2.22222 COc1cnc(c2c1cccc2)S[13CH3] 62a_200025704644_100009847308 [0,0,0,1,0,0|2,1,0]=4 225 B15R2.22222 COc1ncc(c2c1cccc2)SC 62a_200000210301_100010220697 [0,0,0,1,0,0|2,1,0]=4 226 B15R2.22222 COc1ncc(c2c1cccc2)S[13CH3] 62a_200025704644_100010220697 [0,0,0,1,0,0|2,1,0]=4 227 B15R1.3847 C#CC(=O)Cc1ccccc1C(=O)OC 1458a_100000211873_100000744672 [0,0,0,0,0,1|1,0,1]=3 228 B15R1.3847 C#CC(=O)Cc1cccnc1C(=O)OC 1458a_100000211873_100010177730 [0,0,0,0,0,1|2,0,1]=4 229 B15R1.3847 C#CC(=O)Cc1ncccc1C(=O)OC 1458a_100000211873_100000709840 [0,0,0,0,0,1|2,0,1]=4 230 B15R1.3847 C=CC(=O)Cc1ccccc1C(=O)OC 1458a_100000185746_100000744672 [0,0,0,0,0,1|1,0,1]=3 231 B15R1.3847 C=CC(=O)Cc1cccnc1C(=O)OC 1458a_100000185746_100010177730 [0,0,0,0,0,1|2,0,1]=4 232 B15R1.3847 C=CC(=O)Cc1ncccc1C(=O)OC 1458a_100000185746_100000709840 [0,0,0,0,0,1|2,0,1]=4 233 B15R1.3847 C=CC(=O)Nc1ccccc1C(=O)NC 1626a_100000185696_100000185746 [0,0,0,0,0,1|2,0,1]=4 234 B15R1.3847 C=CC(=O)Nc1ccccc1C(=O)NC 22a_100000185696_100000185746 [0,0,0,0,0,1|2,0,1]=4 235 B15R1.3847 CCC(=O)Cc1ccccc1C(=O)OC 1458a_100000210414_100000744672 [0,0,0,0,0,1|1,0,0]=2 236 B15R1.3847 CCC(=O)Cc1ccccc1C(=O)OC 1458a_100000695166_100000210202 [0,0,0,0,0,1|1,0,0]=2 237 B15R1.3847 CCC(=O)Cc1cccnc1C(=O)OC 1458a_100000210414_100010177730 [0,0,0,0,0,1|2,0,0]=3 238 B15R1.3847 CCC(=O)Cc1ncccc1C(=O)OC 1458a_100000210414_100000709840 [0,0,0,0,0,1|2,0,0]=3 239 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)CC 1458a_100000194446_100000210202 [0,0,0,0,0,1|2,0,0]=3 240 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)CF 1458a_100000194446_100015361967 [0,0,0,0,0,1|3,0,0]=4 241 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)NC 11a_100000185696_100000210414 [0,0,0,0,0,1|2,0,0]=3 242 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)NC 1626a_100000185696_100000210414 [0,0,0,0,0,1|2,0,0]=3 243 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)NC 22a_100000185696_100000210414 [0,0,0,0,0,1|2,0,0]=3 244 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)NC 240690a_100102657272_100000194446 [0,0,0,0,0,1|2,0,0]=3 245 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)NC 527a_100102657272_100000194446 [0,0,0,0,0,1|2,0,0]=3 246 B15R1.3847 CCC(=O)c1ccccc1CC(=O)OC 1458a_100000726341_100000210202 [0,0,0,0,0,1|1,0,0]=2 247 B15R1.3847 CCC(C)Oc1ccccc1C(=O)OC 7a_100000150335_100000758301 [0,0,0,0,0,1|2,0,1]=4 248 B15R1.3847 CCC(C)Sc1ccccc1C(=O)OC 62a_100000148710_100000758301 [0,0,0,0,0,1|2,0,1]=4 249 B15R1.3847 CCC(C)Sc1ccccc1C(=O)OC 62a_100000758301_100000148710 [0,0,0,0,0,1|2,0,1]=4 250 B15R1.3847 CCN(C)Cc1ccccc1C(=O)OC 2230a_100000225621_100000744672 [0,0,0,0,0,1|3,0,0]=4 251 B15R1.3847 CCN(C)Cc1ccccc1C(=O)OC 269982a_100000225621_100000744672 [0,0,0,0,0,1|3,0,0]=4 252 B15R1.3847 CNC(=O)Cc1ccccc1C(=O)OC 11a_106832991635_100000695166 [0,0,0,0,0,1|1,0,0]=2 253 B15R1.3847 CNC(=O)Cc1ccccc1C(=O)OC 1626a_100102657272_100000695166 [0,0,0,0,0,1|1,0,0]=2 254 B15R1.3847 CNC(=O)Cc1ccccc1C(=O)OC 240690a_100102657272_100000695166 [0,0,0,0,0,1|1,0,0]=2 255 B15R1.3847 CNC(=O)Nc1ccccc1C(=O)NC 2430a_100000185696_100102657272 [0,0,0,0,0,1|2,0,0]=3 256 B15R1.3847 CNC(=O)c1ccccc1CC(=O)OC 1626a_100102657272_100000726341 [0,0,0,0,0,1|1,0,0]=2 257 B15R1.3847 CNC(=O)c1ccccc1CC(=O)OC 240690a_100102657272_100000726341 [0,0,0,0,0,1|1,0,0]=2 258 B15R1.3847 CNC(=O)c1ccccc1NC(=O)CO 22a_100000185696_100000210174 [0,0,0,0,0,1|3,0,0]=4 259 B15R1.3847 CNC(=O)c1ccccc1SC(C)OC 62a_100000155073_100009879195 [0,0,0,0,0,1|2,0,1]=4 260 B15R1.3847 CNC(=O)c1ccccc1SC(C)OC 62a_100009879195_100000155073 [0,0,0,0,0,1|2,0,1]=4 261 B15R1.3847 COC(=O)Cc1ccccc1C(=O)CF 1458a_100000726341_100015361967 [0,0,0,0,0,1|2,0,0]=3 262 B15R1.3847 COC(=O)c1ccccc1CC(=O)CF 1458a_100000695166_100015361967 [0,0,0,0,0,1|2,0,0]=3 263 B15R1.3847 COC(=O)c1ccccc1CC(=O)CO 1458a_100000210174_100000744672 [0,0,0,0,0,1|2,0,0]=3 264 B15R1.3847 COC(=O)c1ccccc1SC(C)OC 62a_100000148710_100009879195 [0,0,0,0,0,1|1,0,1]=3 265 B15R1.3847 COC(=O)c1ccccc1SC(C)OC 62a_100009879195_100000148710 [0,0,0,0,0,1|1,0,1]=3 266 B15R1.3847 COC(=O)c1cccnc1CC(=O)CO 1458a_100000210174_100000709840 [0,0,0,0,0,1|3,0,0]=4 267 B15R1.3847 COC(=O)c1cccnc1SC(C)OC 62a_100009879195_100000150852 [0,0,0,0,0,1|2,0,1]=4 268 B15R1.3847 COC(=O)c1cccnc1SC(C)OC 62a_100011587185_100009879195 [0,0,0,0,0,1|2,0,1]=4 269 B15R1.3847 COC(=O)c1ccncc1SC(C)OC 62a_100009879195_100010008606 [0,0,0,0,0,1|2,0,1]=4 270 B15R1.3847 COC(=O)c1ccncc1SC(C)OC 62a_100010008606_100009879195 [0,0,0,0,0,1|2,0,1]=4 271 B15R1.3847 COC(=O)c1cnccc1SC(C)OC 62a_100009879195_100020629055 [0,0,0,0,0,1|2,0,1]=4 272 B15R1.3847 COC(=O)c1cnccc1SC(C)OC 62a_100020629055_100009879195 [0,0,0,0,0,1|2,0,1]=4 273 B15R1.3847 COC(=O)c1ncccc1CC(=O)CO 1458a_100000210174_100010177730 [0,0,0,0,0,1|3,0,0]=4 274 B15R1.3847 COC(=O)c1ncccc1SC(C)OC 62a_100009879195_100011935214 [0,0,0,0,0,1|2,0,1]=4 275 B15R1.3847 COC(=O)c1ncccc1SC(C)OC 62a_100011935214_100009879195 [0,0,0,0,0,1|2,0,1]=4 276 B15R1.3847 COC(C)Sc1ccccc1C(=O)O[Na] 62a_100009879195_114855342371 [0,0,0,0,0,1|2,0,1]=4 277 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [2,0,0,0,0,0|1,0,1]=4 278 B12R1.77 C=Cc1ccccc1C(=O)NC 1626a_100102657272_100011830265 [2,0,0,0,0,0|1,0,1]=4 279 B12R1.77 C=Cc1ccccc1C(=O)NC 271570a_100011290941_100000155073 [2,0,0,0,0,0|1,0,1]=4 280 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [2,0,0,0,0,0|0,0,1]=3 281 B12R1.77 C=Cc1cccnc1C(=O)OC 271570a_100011290941_100011935214 [2,0,0,0,0,0|1,0,1]=4 282 B12R1.77 C=Cc1ccncc1C(=O)OC 271570a_100011290941_100020629055 [2,0,0,0,0,0|1,0,1]=4 283 B12R1.77 C=Cc1cnccc1C(=O)OC 271570a_100011290941_100010008606 [2,0,0,0,0,0|1,0,1]=4 284 B12R1.77 C=Cc1ncccc1C(=O)OC 271570a_100011290941_100000150852 [2,0,0,0,0,0|1,0,1]=4 285 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [2,0,0,0,0,0|1,0,1]=4 286 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [2,0,0,0,0,0|1,0,1]=4 287 B12R1.77 CCC(=O)c1ccccc1I=O 1458a_100000032414_100000210202 [2,0,0,0,0,0|2,0,0]=4 288 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [2,0,0,0,0,0|1,0,0]=3 289 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [2,0,0,0,0,0|1,0,0]=3 290 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [2,0,0,0,0,0|1,0,0]=3 291 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [2,0,0,0,0,0|1,1,0]=4 292 B12R1.77 CCc1ccccc1C(=O)NC 11a_106832991635_100000689120 [2,0,0,0,0,0|1,0,1]=4 293 B12R1.77 CCc1ccccc1C(=O)NC 1626a_100102657272_100000689120 [2,0,0,0,0,0|1,0,1]=4 294 B12R1.77 CCc1ccccc1C(=O)NC 240690a_100102657272_100000689120 [2,0,0,0,0,0|1,0,1]=4 295 B12R1.77 CCc1ccccc1C(=O)NC 527a_100102657272_100000689120 [2,0,0,0,0,0|1,0,1]=4 296 B12R1.77 CNC(=O)c1ccccc1I=O 1626a_100102657272_100000032414 [2,0,0,0,0,0|2,0,0]=4 297 B12R1.77 CNC(=O)c1ccccc1I=O 240690a_100102657272_100000032414 [2,0,0,0,0,0|2,0,0]=4 298 B12R1.77 CNC(=O)c1ccccc1I=O 527a_100102657272_100000032414 [2,0,0,0,0,0|2,0,0]=4 299 B12R1.77 CNC(=O)c1ccccc1NC 27a_100102657272_100000155073 [2,0,0,0,0,0|2,0,0]=4 300 B12R1.77 CNC(=O)c1ccccc1NC 34a_100000185696_200000210301 [2,0,0,0,0,0|2,0,0]=4 301 B12R1.77 CNC(=O)c1ccccc1N[13CH3] 34a_100000185696_200025704644 [2,0,0,0,0,0|2,0,0]=4 302 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [2,0,0,0,0,0|1,0,0]=3 303 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [2,0,0,0,0,0|1,0,0]=3 304 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [2,0,0,0,0,0|1,0,0]=3 305 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [2,0,0,0,0,0|1,0,0]=3 306 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [2,0,0,0,0,0|1,0,0]=3 307 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [2,0,0,0,0,0|1,0,0]=3 308 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [2,0,0,0,0,0|1,0,0]=3 309 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [2,0,0,0,0,0|1,0,0]=3 310 B12R1.77 CNC(=O)c1ccccc1SC 11a_106832991635_100000183967 [2,0,0,0,0,0|1,1,0]=4 311 B12R1.77 CNC(=O)c1ccccc1SC 1626a_100102657272_100000183967 [2,0,0,0,0,0|1,1,0]=4 312 B12R1.77 CNC(=O)c1ccccc1SC 240690a_100102657272_100000183967 [2,0,0,0,0,0|1,1,0]=4 313 B12R1.77 CNC(=O)c1ccccc1SC 527a_100102657272_100000183967 [2,0,0,0,0,0|1,1,0]=4 314 B12R1.77 CNC(=O)c1ccccc1SC 62a_100000155073_200000210301 [2,0,0,0,0,0|1,1,0]=4 315 B12R1.77 CNC(=O)c1ccccc1SC 62a_200000210301_100000155073 [2,0,0,0,0,0|1,1,0]=4 316 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_100000155073_200025704644 [2,0,0,0,0,0|1,1,0]=4 317 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000155073 [2,0,0,0,0,0|1,1,0]=4 318 B12R1.77 CNC(=O)c1ncccc1OC 34a_100011376092_200000210301 [2,0,0,0,0,0|2,0,0]=4 319 B12R1.77 CNC(=O)c1ncccc1OC 7a_100011376092_200000210301 [2,0,0,0,0,0|2,0,0]=4 320 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 34a_100011376092_200025704644 [2,0,0,0,0,0|2,0,0]=4 321 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 7a_100011376092_200025704644 [2,0,0,0,0,0|2,0,0]=4 322 B12R1.77 CNc1ncccc1C(=O)OC 27a_100102657272_100000150852 [2,0,0,0,0,0|2,0,0]=4 323 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [2,0,0,0,0,0|0,0,0]=2 324 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [2,0,0,0,0,0|0,0,0]=2 325 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [2,0,0,0,0,0|0,1,0]=3 326 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [2,0,0,0,0,0|0,1,0]=3 327 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [2,0,0,0,0,0|0,1,0]=3 328 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [2,0,0,0,0,0|0,1,0]=3 329 B12R1.77 COC(=O)c1cccnc1SC 62a_100011587185_200000210301 [2,0,0,0,0,0|1,1,0]=4 330 B12R1.77 COC(=O)c1cccnc1SC 62a_200000210301_100000150852 [2,0,0,0,0,0|1,1,0]=4 331 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_100011587185_200025704644 [2,0,0,0,0,0|1,1,0]=4 332 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000150852 [2,0,0,0,0,0|1,1,0]=4 333 B12R1.77 COC(=O)c1ccncc1SC 62a_100010008606_200000210301 [2,0,0,0,0,0|1,1,0]=4 334 B12R1.77 COC(=O)c1ccncc1SC 62a_200000210301_100010008606 [2,0,0,0,0,0|1,1,0]=4 335 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_100010008606_200025704644 [2,0,0,0,0,0|1,1,0]=4 336 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_200025704644_100010008606 [2,0,0,0,0,0|1,1,0]=4 337 B12R1.77 COC(=O)c1cnccc1SC 62a_100020629055_200000210301 [2,0,0,0,0,0|1,1,0]=4 338 B12R1.77 COC(=O)c1cnccc1SC 62a_200000210301_100020629055 [2,0,0,0,0,0|1,1,0]=4 339 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_100020629055_200025704644 [2,0,0,0,0,0|1,1,0]=4 340 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_200025704644_100020629055 [2,0,0,0,0,0|1,1,0]=4 341 B12R1.77 COC(=O)c1ncccc1OC 34a_100000744052_200000210301 [2,0,0,0,0,0|1,0,0]=3 342 B12R1.77 COC(=O)c1ncccc1OC 7a_100000744052_200000210301 [2,0,0,0,0,0|1,0,0]=3 343 B12R1.77 COC(=O)c1ncccc1O[13CH3] 34a_100000744052_200025704644 [2,0,0,0,0,0|1,0,0]=3 344 B12R1.77 COC(=O)c1ncccc1O[13CH3] 7a_100000744052_200025704644 [2,0,0,0,0,0|1,0,0]=3 345 B12R1.77 COC(=O)c1ncccc1SC 62a_100011935214_200000210301 [2,0,0,0,0,0|1,1,0]=4 346 B12R1.77 COC(=O)c1ncccc1SC 62a_200000210301_100011935214 [2,0,0,0,0,0|1,1,0]=4 347 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_100011935214_200025704644 [2,0,0,0,0,0|1,1,0]=4 348 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_200025704644_100011935214 [2,0,0,0,0,0|1,1,0]=4 349 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [2,0,0,0,0,0|2,0,0]=4 350 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [2,0,0,0,0,0|2,0,0]=4 351 B12R1.77 COc1ccccc1C(=O)NN 34a_100000186518_200000210301 [2,0,0,0,0,0|2,0,0]=4 352 B12R1.77 COc1ccccc1C(=O)NO 34a_100000188472_200000210301 [2,0,0,0,0,0|2,0,0]=4 353 B12R1.77 COc1ccccc1C(C)OC 7a_100000742714_200000210301 [2,0,0,0,0,0|1,0,1]=4 354 B12R1.77 COc1ccccc1C(C)O[13CH3] 7a_100000742714_200025704644 [2,0,0,0,0,0|1,0,1]=4 355 B12R1.77 CSc1ccccc1C(=O)O[Na] 62a_200000210301_114855342371 [2,0,0,0,0,0|1,1,0]=4 356 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [2,0,0,0,0,0|2,0,0]=4 357 B12R1.77 [13CH3]Oc1ccccc1C(=O)NN 34a_100000186518_200025704644 [2,0,0,0,0,0|2,0,0]=4 358 B12R1.77 [13CH3]Oc1ccccc1C(=O)NO 34a_100000188472_200025704644 [2,0,0,0,0,0|2,0,0]=4 359 B12R1.77 [13CH3]Sc1ccccc1C(=O)O[Na] 62a_200025704644_114855342371 [2,0,0,0,0,0|1,1,0]=4 360 B12R1.169 CC=Cc1ccccc1COC 271570a_100016259895_100011493684 [2,0,0,0,0,0|1,0,1]=4 361 B12R1.283 C=C(C)c1ccccc1COC 271570a_100000694244_100011493684 [2,0,0,0,0,0|1,0,1]=4 362 B12R1.283 C=C=Cc1ccccc1C(=O)C 271570a_100015277604_100000751169 [2,0,0,0,0,0|1,0,1]=4 363 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [2,0,0,0,0,0|1,0,0]=3 364 B12R1.283 CC=Cc1ccccc1C(=O)N 271570a_100016259895_100000162227 [2,0,0,0,0,0|2,0,0]=4 365 B12R1.283 CC=Cc1ccccc1S(=O)C 271570a_100016259895_100000734199 [2,0,0,0,0,0|2,0,0]=4 366 B12R1.283 CC=Cc1cccnc1C(=O)C 271570a_100016259895_100012348690 [2,0,0,0,0,0|2,0,0]=4 367 B12R1.283 CC=Cc1ccncc1C(=O)C 271570a_100016259895_100160469449 [2,0,0,0,0,0|2,0,0]=4 368 B12R1.283 CC=Cc1cnccc1C(=O)C 271570a_100016259895_100009993184 [2,0,0,0,0,0|2,0,0]=4 369 B12R1.283 CC=Cc1ncccc1C(=O)C 271570a_100016259895_100000753718 [2,0,0,0,0,0|2,0,0]=4 370 B12R1.283 CCOc1ccccc1C(=O)C 1458a_100000211144_200000210301 [2,0,0,0,0,0|2,0,0]=4 371 B12R1.283 CCOc1ccccc1C(=O)[13CH3] 1458a_100000211144_200025704644 [2,0,0,0,0,0|2,0,0]=4 372 B12R1.283 CCSc1ccccc1C(=O)C 1458a_100000195471_200000210301 [2,0,0,0,0,0|2,0,0]=4 373 B12R1.283 CCSc1ccccc1C(=O)C 62a_100000751169_100000210202 [2,0,0,0,0,0|2,0,0]=4 374 B12R1.283 CCSc1ccccc1C(=O)O 62a_100000210202_100000734275 [2,0,0,0,0,0|2,0,0]=4 375 B12R1.283 CCSc1ccccc1C(=O)O 62a_202125556159_100000210202 [2,0,0,0,0,0|2,0,0]=4 376 B12R1.283 CCSc1ccccc1C(=O)[13CH3] 1458a_100000195471_200025704644 [2,0,0,0,0,0|2,0,0]=4 377 B12R1.283 CNCc1ccccc1C(=O)O 269956a_100015183376_200000210301 [2,0,0,0,0,0|1,0,1]=4 378 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [2,0,0,0,0,0|0,0,1]=3 379 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [2,0,0,0,0,0|0,0,1]=3 380 B12R1.283 [13CH3]NCc1ccccc1C(=O)O 269956a_100015183376_200025704644 [2,0,0,0,0,0|1,0,1]=4 381 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [2,0,0,0,0,0|1,0,0]=3 382 B12R1.261 C=C(C)c1ccccc1C(=O)N 271570a_100000694244_100000162227 [2,0,0,0,0,0|2,0,0]=4 383 B12R1.261 C=C(C)c1ccccc1S(=O)C 271570a_100000694244_100000734199 [2,0,0,0,0,0|2,0,0]=4 384 B12R1.261 C=C(C)c1cccnc1C(=O)C 271570a_100000694244_100012348690 [2,0,0,0,0,0|2,0,0]=4 385 B12R1.261 C=C(C)c1ccncc1C(=O)C 271570a_100000694244_100160469449 [2,0,0,0,0,0|2,0,0]=4 386 B12R1.261 C=C(C)c1cnccc1C(=O)C 271570a_100000694244_100009993184 [2,0,0,0,0,0|2,0,0]=4 387 B12R1.261 C=C(C)c1ncccc1C(=O)C 271570a_100000694244_100000753718 [2,0,0,0,0,0|2,0,0]=4 388 B12R1.261 CC(=O)c1ccccc1C(C)C 1458a_100011941426_200000210301 [2,0,0,0,0,0|1,0,1]=4 389 B12R1.261 CC(=O)c1ccccc1I(=O)=O 1458a_100000061294_200000210301 [2,0,0,0,0,0|1,0,1]=4 390 B12R1.261 CC(=O)c1ccccc1N(C)C 1458a_100011218752_200000210301 [2,0,0,0,0,0|2,0,0]=4 391 B12R1.261 CC(=O)c1ccccc1S(=O)C 1458a_100000204632_200000210301 [2,0,0,0,0,0|1,0,0]=3 392 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200000210301 [2,0,0,0,0,0|1,0,1]=4 393 B12R1.261 CC(C)c1ccccc1C(=O)[13CH3] 1458a_100011941426_200025704644 [2,0,0,0,0,0|1,0,1]=4 394 B12R1.261 CN(C)c1ccccc1C(=O)[13CH3] 1458a_100011218752_200025704644 [2,0,0,0,0,0|2,0,0]=4 395 B12R1.261 CS(=O)c1ccccc1C(=O)[13CH3] 1458a_100000204632_200025704644 [2,0,0,0,0,0|1,0,0]=3 396 B12R1.261 [13CH3]C(=O)c1ccccc1I(=O)=O 1458a_100000061294_200025704644 [2,0,0,0,0,0|1,0,1]=4 397 B12R1.261 [13CH3]C(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200025704644 [2,0,0,0,0,0|1,0,1]=4 398 B14R1.263 C=C=Cc1ccccc1C(=O)OCC 271570a_100015277604_100000169879 [1,1,0,0,0,0|1,0,1]=4 399 B14R1.263 CC=Cc1ccccc1C(=O)NCC 271570a_100016259895_200000155173 [1,1,0,0,0,0|2,0,0]=4 400 B14R1.263 CC=Cc1ccccc1C(=O)OCC 271570a_100016259895_100000169879 [1,1,0,0,0,0|1,0,0]=3 401 B14R1.263 CC=Cc1cccnc1C(=O)OCC 271570a_100016259895_100012351660 [1,1,0,0,0,0|2,0,0]=4 402 B14R1.263 CC=Cc1ccncc1C(=O)OCC 271570a_100016259895_100016987518 [1,1,0,0,0,0|2,0,0]=4 403 B14R1.263 CC=Cc1cnccc1C(=O)OCC 271570a_100016259895_100010238393 [1,1,0,0,0,0|2,0,0]=4 404 B14R1.263 CC=Cc1ncccc1C(=O)OCC 271570a_100016259895_100000170124 [1,1,0,0,0,0|2,0,0]=4 405 B14R1.263 CCCC(=O)c1ccccc1COC 1458a_100000737999_100000210303 [1,1,0,0,0,0|1,0,1]=4 406 B14R1.263 CCNC(=O)c1ccccc1COC 11a_100015525214_100000737999 [1,1,0,0,0,0|1,0,1]=4 407 B14R1.263 CCNC(=O)c1ccccc1COC 240690a_100015525214_100000737999 [1,1,0,0,0,0|1,0,1]=4 408 B14R1.263 CCNC(=O)c1ccccc1COC 527a_100015525214_100000737999 [1,1,0,0,0,0|1,0,1]=4 409 B14R1.263 CCNc1ccccc1C(=O)NOC 34a_100011599994_100000210202 [1,1,0,0,0,0|2,0,0]=4 410 B14R1.263 CCOC(=O)c1ccccc1CNC 2230a_106832991635_100009816840 [1,1,0,0,0,0|1,0,1]=4 411 B14R1.263 CCOC(=O)c1ccccc1CNC 270004a_106832991635_200000006220 [1,1,0,0,0,0|1,0,1]=4 412 B14R1.263 CCOC(=O)c1ccccc1CNC 34a_100102657272_100009816840 [1,1,0,0,0,0|1,0,1]=4 413 B14R1.263 CCOC(=O)c1ccccc1CNC 7a_106832991635_100009816840 [1,1,0,0,0,0|1,0,1]=4 414 B14R1.263 CCOC(=O)c1ccccc1COC 34a_100138415774_100009816840 [1,1,0,0,0,0|0,0,1]=3 415 B14R1.263 CCOC(=O)c1ccccc1CSC 62a_100009816840_200000210301 [1,1,0,0,0,0|0,1,1]=4 416 B14R1.263 CCOC(=O)c1ccccc1CSC 62a_200000210301_100009816840 [1,1,0,0,0,0|0,1,1]=4 417 B14R1.263 CCOC(=O)c1ccccc1CS[13CH3] 62a_100009816840_200025704644 [1,1,0,0,0,0|0,1,1]=4 418 B14R1.263 CCOC(=O)c1ccccc1CS[13CH3] 62a_200025704644_100009816840 [1,1,0,0,0,0|0,1,1]=4 419 B14R1.263 CCOC(=O)c1ccccc1OCC 7a_100000169922_100000210202 [1,1,0,0,0,0|2,0,0]=4 420 B14R1.263 CCOC(=O)c1ccccc1SCC 62a_100000169876_100000210202 [1,1,0,0,0,0|2,0,0]=4 421 B14R1.263 CCOC(=O)c1ccccc1SCC 62a_100000210202_100000169879 [1,1,0,0,0,0|2,0,0]=4 422 B14R1.263 CNNC(=O)c1ccccc1COC 22a_100016993582_100000737999 [1,1,0,0,0,0|1,0,1]=4 423 B14R1.263 COCc1ccccc1C(=O)CCF 1458a_100000737999_100011217306 [1,1,0,0,0,0|1,0,1]=4 424 B14R1.263 COCc1ccccc1C(=O)CCO 1458a_100000737999_100000211926 [1,1,0,0,0,0|1,0,1]=4 425 B14R1.481 CC=Cc1ccccc1C(=O)N(C)C 271570a_100016259895_100000159526 [1,1,0,0,0,0|2,0,0]=4 426 B14R1.481 COCc1ccccc1C(=O)C(C)C 1458a_100000737999_100000210206 [1,1,0,0,0,0|1,0,1]=4 427 B14R1.481 COCc1ccccc1C(=O)N(C)C 11a_100102631434_100000737999 [1,1,0,0,0,0|1,0,1]=4 428 B14R1.481 COCc1ccccc1C(=O)N(C)C 1626a_100102631434_100000737999 [1,1,0,0,0,0|1,0,1]=4 429 B14R1.481 COCc1ccccc1C(=O)N(C)C 240690a_100102631434_100000737999 [1,1,0,0,0,0|1,0,1]=4 430 B14R1.481 COCc1ccccc1C(=O)N(C)C 527a_100102631434_100000737999 [1,1,0,0,0,0|1,0,1]=4 431 B14R1.744 CNC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000155073 [1,1,0,0,0,0|2,0,0]=4 432 B14R1.744 COC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000148710 [1,1,0,0,0,0|1,0,0]=3 433 B14R1.744 COC(=O)c1ccccc1CC(=O)C 1458a_100000070787_100000744672 [1,1,0,0,0,0|1,0,1]=4 434 B14R1.744 COC(=O)c1ccccc1CC(=O)C 1458a_100000695166_200000210301 [1,1,0,0,0,0|1,0,1]=4 435 B14R1.744 COC(=O)c1ccccc1CC(=O)[13CH3] 1458a_100000695166_200025704644 [1,1,0,0,0,0|1,0,1]=4 436 B14R1.744 COC(=O)c1ccccc1CN(C)C 2230a_100102631434_100000744672 [1,1,0,0,0,0|1,0,1]=4 437 B14R1.744 COC(=O)c1ccccc1CN(C)C 269982a_100102631434_100000744672 [1,1,0,0,0,0|1,0,1]=4 438 B14R1.744 COC(=O)c1ccccc1OC(C)C 7a_100000150335_100000210206 [1,1,0,0,0,0|2,0,0]=4 439 B14R1.744 COC(=O)c1ccccc1SC(C)C 62a_100000148710_100000210206 [1,1,0,0,0,0|2,0,0]=4 440 B14R1.744 COC(=O)c1ccccc1SC(C)C 62a_100000210206_100000148710 [1,1,0,0,0,0|2,0,0]=4 441 B14R1.744 COC(=O)c1cccnc1C=C(C)C 271570a_100102525489_100000150852 [1,1,0,0,0,0|2,0,0]=4 442 B14R1.744 COC(=O)c1ccncc1C=C(C)C 271570a_100102525489_100010008606 [1,1,0,0,0,0|2,0,0]=4 443 B14R1.744 COC(=O)c1cnccc1C=C(C)C 271570a_100102525489_100020629055 [1,1,0,0,0,0|2,0,0]=4 444 B14R1.744 COC(=O)c1ncccc1C=C(C)C 271570a_100102525489_100011935214 [1,1,0,0,0,0|2,0,0]=4 445 B14R1.789 CCCCc1ccccc1C(=O)OC 271570a_100020621405_100000148710 [1,1,0,0,0,0|1,0,1]=4 446 B14R1.789 CCCOc1ccccc1C(=O)OC 7a_100000150335_100000210303 [1,1,0,0,0,0|1,0,1]=4 447 B14R1.789 CCCSc1ccccc1C(=O)OC 62a_100000148710_100000210303 [1,1,0,0,0,0|1,0,1]=4 448 B14R1.789 CCCSc1ccccc1C(=O)OC 62a_100000210303_100000148710 [1,1,0,0,0,0|1,0,1]=4 449 B14R1.789 CCNCc1ccccc1C(=O)OC 2230a_100015525214_100000744672 [1,1,0,0,0,0|1,0,1]=4 450 B14R1.789 CCOCc1ccccc1C(=O)NC 34a_100009855793_100000210202 [1,1,0,0,0,0|1,0,1]=4 451 B14R1.789 CCOCc1ccccc1C(=O)NC 7a_100009855793_100000210202 [1,1,0,0,0,0|1,0,1]=4 452 B14R1.789 CCOCc1ccccc1C(=O)OC 34a_100121572206_100000744672 [1,1,0,0,0,0|0,0,1]=3 453 B14R1.789 CCOCc1cccnc1C(=O)OC 34a_100121572206_100010177730 [1,1,0,0,0,0|1,0,1]=4 454 B14R1.789 CCOCc1ncccc1C(=O)OC 34a_100121572206_100012347567 [1,1,0,0,0,0|1,0,1]=4 455 B14R1.789 CCSCc1ccccc1C(=O)OC 62a_100000210202_100000744672 [1,1,0,0,0,0|0,1,1]=4 456 B14R1.789 CCSCc1ccccc1C(=O)OC 62a_100000744672_100000210202 [1,1,0,0,0,0|0,1,1]=4 457 B14R1.789 CNC(=O)c1ccccc1COCF 34a_100009855793_100015361967 [1,1,0,0,0,0|1,0,1]=4 458 B14R1.789 CNC(=O)c1ccccc1COCF 7a_100009855793_100015361967 [1,1,0,0,0,0|1,0,1]=4 459 B14R1.789 CNC(=O)c1ccccc1SCOC 62a_100000155073_100000766300 [1,1,0,0,0,0|1,0,1]=4 460 B14R1.789 CNC(=O)c1ccccc1SCOC 62a_100000766300_100000155073 [1,1,0,0,0,0|1,0,1]=4 461 B14R1.789 CNCCc1ccccc1C(=O)OC 2230a_106832991635_200010284099 [1,1,0,0,0,0|1,0,1]=4 462 B14R1.789 CNCCc1ccccc1C(=O)OC 34a_100102657272_200010284099 [1,1,0,0,0,0|1,0,1]=4 463 B14R1.789 CNCCc1ccccc1C(=O)OC 7a_106832991635_200010284099 [1,1,0,0,0,0|1,0,1]=4 464 B14R1.789 COC(=O)c1ccccc1CCSC 62a_200000210301_200010284099 [1,1,0,0,0,0|0,1,1]=4 465 B14R1.789 COC(=O)c1ccccc1CCSC 62a_200010284099_200000210301 [1,1,0,0,0,0|0,1,1]=4 466 B14R1.789 COC(=O)c1ccccc1CCS[13CH3] 62a_200010284099_200025704644 [1,1,0,0,0,0|0,1,1]=4 467 B14R1.789 COC(=O)c1ccccc1CCS[13CH3] 62a_200025704644_200010284099 [1,1,0,0,0,0|0,1,1]=4 468 B14R1.789 COC(=O)c1ccccc1CSCF 62a_100000744672_100015361967 [1,1,0,0,0,0|0,1,1]=4 469 B14R1.789 COC(=O)c1ccccc1CSCF 62a_100015361967_100000744672 [1,1,0,0,0,0|0,1,1]=4 470 B14R1.789 COC(=O)c1ccccc1OCCF 7a_100000150335_100011217306 [1,1,0,0,0,0|2,0,0]=4 471 B14R1.789 COC(=O)c1ccccc1OCCO 7a_100000150335_100000211926 [1,1,0,0,0,0|2,0,0]=4 472 B14R1.789 COC(=O)c1ccccc1SCCF 62a_100000148710_100011217306 [1,1,0,0,0,0|2,0,0]=4 473 B14R1.789 COC(=O)c1ccccc1SCCF 62a_100011217306_100000148710 [1,1,0,0,0,0|2,0,0]=4 474 B14R1.789 COC(=O)c1ccccc1SCCO 62a_100000148710_100000211926 [1,1,0,0,0,0|2,0,0]=4 475 B14R1.789 COC(=O)c1ccccc1SCCO 62a_100000211926_100000148710 [1,1,0,0,0,0|2,0,0]=4 476 B14R1.789 COC(=O)c1ccccc1SCSC 62a_100000148710_100011218213 [1,1,0,0,0,0|0,1,1]=4 477 B14R1.789 COC(=O)c1ccccc1SCSC 62a_100011218213_100000148710 [1,1,0,0,0,0|0,1,1]=4 478 B14R1.789 COCCc1ccccc1C(=O)OC 34a_100138415774_200010284099 [1,1,0,0,0,0|0,0,1]=3 479 B14R1.789 COCSc1ccccc1C(=O)OC 62a_100000148710_100000766300 [1,1,0,0,0,0|0,0,1]=3 480 B14R1.789 COCSc1ccccc1C(=O)OC 62a_100000766300_100000148710 [1,1,0,0,0,0|0,0,1]=3 481 B14R1.789 COCSc1ccccc1C(=O)O[Na] 62a_100000766300_114855342371 [1,1,0,0,0,0|1,0,1]=4 482 B14R1.789 COCSc1cccnc1C(=O)OC 62a_100000766300_100011935214 [1,1,0,0,0,0|1,0,1]=4 483 B14R1.789 COCSc1cccnc1C(=O)OC 62a_100011935214_100000766300 [1,1,0,0,0,0|1,0,1]=4 484 B14R1.789 COCSc1ccncc1C(=O)OC 62a_100000766300_100020629055 [1,1,0,0,0,0|1,0,1]=4 485 B14R1.789 COCSc1ccncc1C(=O)OC 62a_100020629055_100000766300 [1,1,0,0,0,0|1,0,1]=4 486 B14R1.789 COCSc1cnccc1C(=O)OC 62a_100000766300_100010008606 [1,1,0,0,0,0|1,0,1]=4 487 B14R1.789 COCSc1cnccc1C(=O)OC 62a_100010008606_100000766300 [1,1,0,0,0,0|1,0,1]=4 488 B14R1.789 COCSc1ncccc1C(=O)OC 62a_100000766300_100000150852 [1,1,0,0,0,0|1,0,1]=4 489 B14R1.789 COCSc1ncccc1C(=O)OC 62a_100011587185_100000766300 [1,1,0,0,0,0|1,0,1]=4 490 B14R1.3101 C=C=Cc1c(cccc1C(=O)OC)Br 271570a_100015277604_100010150843 [1,1,0,0,0,0|1,0,1]=4 491 B14R1.3101 C=C=Cc1c(cccc1C(=O)OC)C 271570a_100015277604_100012002529 [1,1,0,0,0,0|1,0,1]=4 492 B14R1.3101 C=C=Cc1c(cccc1C(=O)OC)F 271570a_100015277604_100012357630 [1,1,0,0,0,0|1,0,1]=4 493 B14R1.3101 C=C=Cc1c(cccc1C(=O)OC)N 271570a_100015277604_100000719424 [1,1,0,0,0,0|1,0,1]=4 494 B14R1.3101 C=C=Cc1c(cccc1C(=O)OC)O 271570a_100015277604_200010230364 [1,1,0,0,0,0|1,0,1]=4 495 B14R1.3101 CC=Cc1c(cccc1C(=O)OC)Br 271570a_100016259895_100010150843 [1,1,0,0,0,0|1,0,0]=3 496 B14R1.3101 CC=Cc1c(cccc1C(=O)OC)C 271570a_100016259895_100012002529 [1,1,0,0,0,0|1,0,0]=3 497 B14R1.3101 CC=Cc1c(cccc1C(=O)OC)F 271570a_100016259895_100012357630 [1,1,0,0,0,0|1,0,0]=3 498 B14R1.3101 CC=Cc1c(cccc1C(=O)OC)N 271570a_100016259895_100000719424 [1,1,0,0,0,0|1,0,0]=3 499 B14R1.3101 CC=Cc1c(cccc1C(=O)OC)O 271570a_100016259895_200010230364 [1,1,0,0,0,0|1,0,0]=3 500 B14R1.3101 CCOc1c(cccc1C(=O)OC)Br 34a_100009816214_100000210202 [1,1,0,0,0,0|2,0,0]=4 501 B14R1.3101 CCOc1c(cccc1C(=O)OC)C 34a_100000149854_100000210202 [1,1,0,0,0,0|2,0,0]=4 502 B14R1.3101 CCOc1c(cccc1C(=O)OC)C 7a_100000149854_100000210202 [1,1,0,0,0,0|2,0,0]=4 503 B14R1.3101 CCOc1c(cccc1C(=O)OC)Cl 34a_100000074923_100000210202 [1,1,0,0,0,0|2,0,0]=4 504 B14R1.3101 CCOc1c(cccc1C(=O)OC)Cl 7a_100000074923_100000210202 [1,1,0,0,0,0|2,0,0]=4 505 B14R1.3101 CCOc1c(cccc1C(=O)OC)F 34a_100000082593_100000210202 [1,1,0,0,0,0|2,0,0]=4 506 B14R1.3101 CCOc1c(cccc1C(=O)OC)F 7a_100000082593_100000210202 [1,1,0,0,0,0|2,0,0]=4 507 B14R1.3101 CCOc1c(cccc1C(=O)OC)N 34a_100000750886_100000210202 [1,1,0,0,0,0|2,0,0]=4 508 B14R1.3101 CCSc1c(cccc1C(=O)OC)Br 62a_100000210202_100010150843 [1,1,0,0,0,0|2,0,0]=4 509 B14R1.3101 CCSc1c(cccc1C(=O)OC)Br 62a_100010150843_100000210202 [1,1,0,0,0,0|2,0,0]=4 510 B14R1.3101 CCSc1c(cccc1C(=O)OC)C 62a_100000210202_100012002529 [1,1,0,0,0,0|2,0,0]=4 511 B14R1.3101 CCSc1c(cccc1C(=O)OC)C 62a_100012002529_100000210202 [1,1,0,0,0,0|2,0,0]=4 512 B14R1.3101 CCSc1c(cccc1C(=O)OC)F 62a_100000210202_100012357630 [1,1,0,0,0,0|2,0,0]=4 513 B14R1.3101 CCSc1c(cccc1C(=O)OC)F 62a_100012357630_100000210202 [1,1,0,0,0,0|2,0,0]=4 514 B14R1.3101 CCSc1c(cccc1C(=O)OC)N 62a_100000719424_100000210202 [1,1,0,0,0,0|2,0,0]=4 515 B14R1.3101 CCSc1c(cccc1C(=O)OC)O 62a_100000210202_200010230364 [1,1,0,0,0,0|2,0,0]=4 516 B14R1.3101 CCSc1c(cccc1C(=O)OC)O 62a_200010230364_100000210202 [1,1,0,0,0,0|2,0,0]=4 517 B14R1.3101 CNCc1c(cccc1C(=O)OC)Br 2230a_106832991635_100012352084 [1,1,0,0,0,0|1,0,1]=4 518 B14R1.3101 CNCc1c(cccc1C(=O)OC)Br 26a_100102657272_100009816214 [1,1,0,0,0,0|1,0,1]=4 519 B14R1.3101 CNCc1c(cccc1C(=O)OC)Br 34a_100102657272_100012352084 [1,1,0,0,0,0|1,0,1]=4 520 B14R1.3101 CNCc1c(cccc1C(=O)OC)Br 7a_106832991635_100012352084 [1,1,0,0,0,0|1,0,1]=4 521 B14R1.3101 CNCc1c(cccc1C(=O)OC)Cl 2230a_106832991635_100000725332 [1,1,0,0,0,0|1,0,1]=4 522 B14R1.3101 CNCc1c(cccc1C(=O)OC)Cl 34a_100102657272_100000725332 [1,1,0,0,0,0|1,0,1]=4 523 B14R1.3101 CNCc1c(cccc1C(=O)OC)Cl 7a_106832991635_100000725332 [1,1,0,0,0,0|1,0,1]=4 524 B14R1.3101 CNCc1c(cccc1C(=O)OC)F 2230a_106832991635_100010239718 [1,1,0,0,0,0|1,0,1]=4 525 B14R1.3101 CNCc1c(cccc1C(=O)OC)F 34a_100102657272_100010239718 [1,1,0,0,0,0|1,0,1]=4 526 B14R1.3101 CNCc1c(cccc1C(=O)OC)F 7a_106832991635_100010239718 [1,1,0,0,0,0|1,0,1]=4 527 B14R1.3101 CNCc1c(cccc1C(=O)OC)I 2230a_106832991635_100011003723 [1,1,0,0,0,0|1,0,1]=4 528 B14R1.3101 CNCc1c(cccc1C(=O)OC)I 34a_100102657272_100011003723 [1,1,0,0,0,0|1,0,1]=4 529 B14R1.3101 CNCc1c(cccc1C(=O)OC)I 7a_106832991635_100011003723 [1,1,0,0,0,0|1,0,1]=4 530 B14R1.3101 COC(=O)c1cccc(c1CSC)Br 62a_100012352084_200000210301 [1,1,0,0,0,0|0,1,1]=4 531 B14R1.3101 COC(=O)c1cccc(c1CSC)Cl 62a_100000725332_200000210301 [1,1,0,0,0,0|0,1,1]=4 532 B14R1.3101 COC(=O)c1cccc(c1CSC)F 62a_100010239718_200000210301 [1,1,0,0,0,0|0,1,1]=4 533 B14R1.3101 COC(=O)c1cccc(c1CSC)F 62a_200000210301_100010239718 [1,1,0,0,0,0|0,1,1]=4 534 B14R1.3101 COC(=O)c1cccc(c1CSC)I 62a_100011003723_200000210301 [1,1,0,0,0,0|0,1,1]=4 535 B14R1.3101 COC(=O)c1cccc(c1CSC)I 62a_200000210301_100011003723 [1,1,0,0,0,0|0,1,1]=4 536 B14R1.3101 COC(=O)c1cccc(c1CS[13CH3])Br 62a_100012352084_200025704644 [1,1,0,0,0,0|0,1,1]=4 537 B14R1.3101 COC(=O)c1cccc(c1CS[13CH3])Cl 62a_100000725332_200025704644 [1,1,0,0,0,0|0,1,1]=4 538 B14R1.3101 COC(=O)c1cccc(c1CS[13CH3])F 62a_100010239718_200025704644 [1,1,0,0,0,0|0,1,1]=4 539 B14R1.3101 COC(=O)c1cccc(c1CS[13CH3])F 62a_200025704644_100010239718 [1,1,0,0,0,0|0,1,1]=4 540 B14R1.3101 COC(=O)c1cccc(c1CS[13CH3])I 62a_100011003723_200025704644 [1,1,0,0,0,0|0,1,1]=4 541 B14R1.3101 COC(=O)c1cccc(c1CS[13CH3])I 62a_200025704644_100011003723 [1,1,0,0,0,0|0,1,1]=4 542 B14R1.3101 COCc1c(cccc1C(=O)OC)Br 34a_100138415774_100012352084 [1,1,0,0,0,0|0,0,1]=3 543 B14R1.3101 COCc1c(cccc1C(=O)OC)Cl 34a_100138415774_100000725332 [1,1,0,0,0,0|0,0,1]=3 544 B14R1.3101 COCc1c(cccc1C(=O)OC)F 34a_100138415774_100010239718 [1,1,0,0,0,0|0,0,1]=3 545 B14R1.3101 COCc1c(cccc1C(=O)OC)I 34a_100138415774_100011003723 [1,1,0,0,0,0|0,0,1]=3 546 B14R1.5122 C=C=Cc1cc(ccc1C(=O)OC)Br 271570a_100015277604_100000701758 [1,1,0,0,0,0|1,0,1]=4 547 B14R1.5122 C=C=Cc1cc(ccc1C(=O)OC)C 271570a_100015277604_100012340597 [1,1,0,0,0,0|1,0,1]=4 548 B14R1.5122 C=C=Cc1cc(ccc1C(=O)OC)Cl 271570a_100015277604_100000047510 [1,1,0,0,0,0|1,0,1]=4 549 B14R1.5122 C=C=Cc1cc(ccc1C(=O)OC)F 271570a_100015277604_100000204356 [1,1,0,0,0,0|1,0,1]=4 550 B14R1.5122 C=C=Cc1cc(ccc1C(=O)OC)N 271570a_100015277604_100009998378 [1,1,0,0,0,0|1,0,1]=4 551 B14R1.5122 C=C=Cc1cc(ccc1C(=O)OC)O 271570a_100015277604_100010150825 [1,1,0,0,0,0|1,0,1]=4 552 B14R1.5122 CC=Cc1cc(ccc1C(=O)CC)C 271570a_100016259895_200012349623 [1,1,0,0,0,0|2,0,0]=4 553 B14R1.5122 CC=Cc1cc(ccc1C(=O)NC)F 271570a_100016259895_200000206206 [1,1,0,0,0,0|2,0,0]=4 554 B14R1.5122 CC=Cc1cc(ccc1C(=O)OC)Br 271570a_100016259895_100000701758 [1,1,0,0,0,0|1,0,0]=3 555 B14R1.5122 CC=Cc1cc(ccc1C(=O)OC)C 271570a_100016259895_100012340597 [1,1,0,0,0,0|1,0,0]=3 556 B14R1.5122 CC=Cc1cc(ccc1C(=O)OC)Cl 271570a_100016259895_100000047510 [1,1,0,0,0,0|1,0,0]=3 557 B14R1.5122 CC=Cc1cc(ccc1C(=O)OC)F 271570a_100016259895_100000204356 [1,1,0,0,0,0|1,0,0]=3 558 B14R1.5122 CC=Cc1cc(ccc1C(=O)OC)N 271570a_100016259895_100009998378 [1,1,0,0,0,0|1,0,0]=3 559 B14R1.5122 CC=Cc1cc(ccc1C(=O)OC)O 271570a_100016259895_100010150825 [1,1,0,0,0,0|1,0,0]=3 560 B14R1.5122 CC=Cc1cc(cnc1C(=O)OC)C 271570a_100016259895_100010167497 [1,1,0,0,0,0|2,0,0]=4 561 B14R1.5122 CC=Cc1cc(cnc1C(=O)OC)F 271570a_100016259895_100010189631 [1,1,0,0,0,0|2,0,0]=4 562 B14R1.5122 CC=Cc1cc(ncc1C(=O)OC)C 271570a_100016259895_100011998247 [1,1,0,0,0,0|2,0,0]=4 563 B14R1.5122 CC=Cc1nc(ccc1C(=O)OC)C 271570a_100016259895_100000054099 [1,1,0,0,0,0|2,0,0]=4 564 B14R1.5122 CC=Cc1nc(ccc1C(=O)OC)N 271570a_100016259895_100009865240 [1,1,0,0,0,0|2,0,0]=4 565 B14R1.5122 CC=Cc1nc(ccc1C(=O)OC)O 271570a_100016259895_100016008356 [1,1,0,0,0,0|2,0,0]=4 566 B14R1.5122 CCOc1cc(ccc1C(=O)OC)Br 34a_100000699699_100000210202 [1,1,0,0,0,0|2,0,0]=4 567 B14R1.5122 CCOc1cc(ccc1C(=O)OC)Br 7a_100000699699_100000210202 [1,1,0,0,0,0|2,0,0]=4 568 B14R1.5122 CCOc1cc(ccc1C(=O)OC)C 34a_100000148187_100000210202 [1,1,0,0,0,0|2,0,0]=4 569 B14R1.5122 CCOc1cc(ccc1C(=O)OC)C 7a_100000148187_100000210202 [1,1,0,0,0,0|2,0,0]=4 570 B14R1.5122 CCOc1cc(ccc1C(=O)OC)Cl 34a_100000151441_100000210202 [1,1,0,0,0,0|2,0,0]=4 571 B14R1.5122 CCOc1cc(ccc1C(=O)OC)Cl 7a_100000151441_100000210202 [1,1,0,0,0,0|2,0,0]=4 572 B14R1.5122 CCOc1cc(ccc1C(=O)OC)F 34a_100011216117_100000210202 [1,1,0,0,0,0|2,0,0]=4 573 B14R1.5122 CCOc1cc(ccc1C(=O)OC)F 7a_100011216117_100000210202 [1,1,0,0,0,0|2,0,0]=4 574 B14R1.5122 CCOc1cc(ccc1C(=O)OC)I 7a_100000062286_100000210202 [1,1,0,0,0,0|2,0,0]=4 575 B14R1.5122 CCOc1cc(ccc1C(=O)OC)N 34a_100000718744_100000210202 [1,1,0,0,0,0|2,0,0]=4 576 B14R1.5122 CCOc1cc(ccc1C(=O)OC)N 7a_100000718744_100000210202 [1,1,0,0,0,0|2,0,0]=4 577 B14R1.5122 CCSc1cc(ccc1C(=O)OC)Br 62a_100000701758_100000210202 [1,1,0,0,0,0|2,0,0]=4 578 B14R1.5122 CCSc1cc(ccc1C(=O)OC)C 62a_100000210202_100012340597 [1,1,0,0,0,0|2,0,0]=4 579 B14R1.5122 CCSc1cc(ccc1C(=O)OC)C 62a_100012340597_100000210202 [1,1,0,0,0,0|2,0,0]=4 580 B14R1.5122 CCSc1cc(ccc1C(=O)OC)Cl 62a_100000047510_100000210202 [1,1,0,0,0,0|2,0,0]=4 581 B14R1.5122 CCSc1cc(ccc1C(=O)OC)Cl 62a_100000210202_100000047510 [1,1,0,0,0,0|2,0,0]=4 582 B14R1.5122 CCSc1cc(ccc1C(=O)OC)F 62a_100000204356_100000210202 [1,1,0,0,0,0|2,0,0]=4 583 B14R1.5122 CCSc1cc(ccc1C(=O)OC)F 62a_100000210202_100000204356 [1,1,0,0,0,0|2,0,0]=4 584 B14R1.5122 CCSc1cc(ccc1C(=O)OC)N 62a_100000210202_100010150747 [1,1,0,0,0,0|2,0,0]=4 585 B14R1.5122 CCSc1cc(ccc1C(=O)OC)N 62a_100009998378_100000210202 [1,1,0,0,0,0|2,0,0]=4 586 B14R1.5122 CCSc1cc(ccc1C(=O)OC)O 62a_100000210202_100010150825 [1,1,0,0,0,0|2,0,0]=4 587 B14R1.5122 CCSc1cc(ccc1C(=O)OC)O 62a_100010150825_100000210202 [1,1,0,0,0,0|2,0,0]=4 588 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Br 2230a_106832991635_100000693193 [1,1,0,0,0,0|1,0,1]=4 589 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Br 26a_100102657272_100000699699 [1,1,0,0,0,0|1,0,1]=4 590 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Br 270004a_106832991635_100000708894 [1,1,0,0,0,0|1,0,1]=4 591 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Br 34a_100102657272_100000693193 [1,1,0,0,0,0|1,0,1]=4 592 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Br 7a_106832991635_100000693193 [1,1,0,0,0,0|1,0,1]=4 593 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Cl 2230a_106832991635_100010239717 [1,1,0,0,0,0|1,0,1]=4 594 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Cl 34a_100102657272_100010239717 [1,1,0,0,0,0|1,0,1]=4 595 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Cl 7a_106832991635_100010239717 [1,1,0,0,0,0|1,0,1]=4 596 B14R1.5122 CNCc1cc(ccc1C(=O)OC)F 2230a_106832991635_100000700702 [1,1,0,0,0,0|1,0,1]=4 597 B14R1.5122 CNCc1cc(ccc1C(=O)OC)F 34a_100102657272_100000700702 [1,1,0,0,0,0|1,0,1]=4 598 B14R1.5122 CNCc1cc(ccc1C(=O)OC)F 7a_106832991635_100000700702 [1,1,0,0,0,0|1,0,1]=4 599 B14R1.5122 COC(=O)c1ccc(cc1CSC)Br 62a_100000693193_200000210301 [1,1,0,0,0,0|0,1,1]=4 600 B14R1.5122 COC(=O)c1ccc(cc1CSC)Cl 62a_100010239717_200000210301 [1,1,0,0,0,0|0,1,1]=4 601 B14R1.5122 COC(=O)c1ccc(cc1CSC)Cl 62a_200000210301_100010239717 [1,1,0,0,0,0|0,1,1]=4 602 B14R1.5122 COC(=O)c1ccc(cc1CSC)F 62a_100000700702_200000210301 [1,1,0,0,0,0|0,1,1]=4 603 B14R1.5122 COC(=O)c1ccc(cc1CSC)F 62a_200000210301_100000700702 [1,1,0,0,0,0|0,1,1]=4 604 B14R1.5122 COC(=O)c1ccc(cc1CS[13CH3])Br 62a_100000693193_200025704644 [1,1,0,0,0,0|0,1,1]=4 605 B14R1.5122 COC(=O)c1ccc(cc1CS[13CH3])Cl 62a_100010239717_200025704644 [1,1,0,0,0,0|0,1,1]=4 606 B14R1.5122 COC(=O)c1ccc(cc1CS[13CH3])Cl 62a_200025704644_100010239717 [1,1,0,0,0,0|0,1,1]=4 607 B14R1.5122 COC(=O)c1ccc(cc1CS[13CH3])F 62a_100000700702_200025704644 [1,1,0,0,0,0|0,1,1]=4 608 B14R1.5122 COC(=O)c1ccc(cc1CS[13CH3])F 62a_200025704644_100000700702 [1,1,0,0,0,0|0,1,1]=4 609 B14R1.5122 COCc1cc(ccc1C(=O)OC)Br 34a_100138415774_100000693193 [1,1,0,0,0,0|0,0,1]=3 610 B14R1.5122 COCc1cc(ccc1C(=O)OC)Cl 34a_100138415774_100010239717 [1,1,0,0,0,0|0,0,1]=3 611 B14R1.5122 COCc1cc(ccc1C(=O)OC)F 34a_100138415774_100000700702 [1,1,0,0,0,0|0,0,1]=3 612 B14R1.5238 C=C=Cc1ccc(cc1C(=O)OC)Br 271570a_100015277604_100000148213 [1,1,0,0,0,0|1,0,1]=4 613 B14R1.5238 C=C=Cc1ccc(cc1C(=O)OC)C 271570a_100015277604_100012339458 [1,1,0,0,0,0|1,0,1]=4 614 B14R1.5238 C=C=Cc1ccc(cc1C(=O)OC)Cl 271570a_100015277604_100011294804 [1,1,0,0,0,0|1,0,1]=4 615 B14R1.5238 C=C=Cc1ccc(cc1C(=O)OC)F 271570a_100015277604_100000205820 [1,1,0,0,0,0|1,0,1]=4 616 B14R1.5238 C=C=Cc1ccc(cc1C(=O)OC)N 271570a_100015277604_100000696289 [1,1,0,0,0,0|1,0,1]=4 617 B14R1.5238 C=C=Cc1ccc(cc1C(=O)OC)O 271570a_100015277604_100010230369 [1,1,0,0,0,0|1,0,1]=4 618 B14R1.5238 CC=Cc1ccc(cc1C(=O)NC)Cl 271570a_100016259895_200011279454 [1,1,0,0,0,0|2,0,0]=4 619 B14R1.5238 CC=Cc1ccc(cc1C(=O)NC)F 271570a_100016259895_200000206232 [1,1,0,0,0,0|2,0,0]=4 620 B14R1.5238 CC=Cc1ccc(cc1C(=O)OC)Br 271570a_100016259895_100000148213 [1,1,0,0,0,0|1,0,0]=3 621 B14R1.5238 CC=Cc1ccc(cc1C(=O)OC)C 271570a_100016259895_100012339458 [1,1,0,0,0,0|1,0,0]=3 622 B14R1.5238 CC=Cc1ccc(cc1C(=O)OC)Cl 271570a_100016259895_100011294804 [1,1,0,0,0,0|1,0,0]=3 623 B14R1.5238 CC=Cc1ccc(cc1C(=O)OC)F 271570a_100016259895_100000205820 [1,1,0,0,0,0|1,0,0]=3 624 B14R1.5238 CC=Cc1ccc(cc1C(=O)OC)N 271570a_100016259895_100000696289 [1,1,0,0,0,0|1,0,0]=3 625 B14R1.5238 CC=Cc1ccc(cc1C(=O)OC)O 271570a_100016259895_100010230369 [1,1,0,0,0,0|1,0,0]=3 626 B14R1.5238 CC=Cc1ccc(nc1C(=O)OC)N 271570a_100016259895_100009816986 [1,1,0,0,0,0|2,0,0]=4 627 B14R1.5238 CC=Cc1ccc(nc1C(=O)OC)O 271570a_100016259895_100010189638 [1,1,0,0,0,0|2,0,0]=4 628 B14R1.5238 CC=Cc1cnc(cc1C(=O)OC)N 271570a_100016259895_100011934820 [1,1,0,0,0,0|2,0,0]=4 629 B14R1.5238 CC=Cc1cnc(cc1C(=O)OC)O 271570a_100016259895_100009816900 [1,1,0,0,0,0|2,0,0]=4 630 B14R1.5238 CC=Cc1ncc(cc1C(=O)OC)C 271570a_100016259895_100000085774 [1,1,0,0,0,0|2,0,0]=4 631 B14R1.5238 CC=Cc1ncc(cc1C(=O)OC)F 271570a_100016259895_100012000215 [1,1,0,0,0,0|2,0,0]=4 632 B14R1.5238 CC=Cc1ncc(cc1C(=O)OC)N 271570a_100016259895_200012182668 [1,1,0,0,0,0|2,0,0]=4 633 B14R1.5238 CCOc1ccc(cc1C(=O)OC)Br 34a_100000149267_100000210202 [1,1,0,0,0,0|2,0,0]=4 634 B14R1.5238 CCOc1ccc(cc1C(=O)OC)Br 7a_100000149267_100000210202 [1,1,0,0,0,0|2,0,0]=4 635 B14R1.5238 CCOc1ccc(cc1C(=O)OC)C 34a_100000216618_100000210202 [1,1,0,0,0,0|2,0,0]=4 636 B14R1.5238 CCOc1ccc(cc1C(=O)OC)C 7a_100000216618_100000210202 [1,1,0,0,0,0|2,0,0]=4 637 B14R1.5238 CCOc1ccc(cc1C(=O)OC)Cl 34a_100000149278_100000210202 [1,1,0,0,0,0|2,0,0]=4 638 B14R1.5238 CCOc1ccc(cc1C(=O)OC)Cl 7a_100000149278_100000210202 [1,1,0,0,0,0|2,0,0]=4 639 B14R1.5238 CCOc1ccc(cc1C(=O)OC)F 34a_100011219540_100000210202 [1,1,0,0,0,0|2,0,0]=4 640 B14R1.5238 CCOc1ccc(cc1C(=O)OC)F 7a_100011219540_100000210202 [1,1,0,0,0,0|2,0,0]=4 641 B14R1.5238 CCOc1ccc(cc1C(=O)OC)I 34a_100000149868_100000210202 [1,1,0,0,0,0|2,0,0]=4 642 B14R1.5238 CCOc1ccc(cc1C(=O)OC)I 7a_100000149868_100000210202 [1,1,0,0,0,0|2,0,0]=4 643 B14R1.5238 CCOc1ccc(cc1C(=O)OC)N 34a_100011246163_100000210202 [1,1,0,0,0,0|2,0,0]=4 644 B14R1.5238 CCOc1ccc(cc1C(=O)OC)N 7a_100011246163_100000210202 [1,1,0,0,0,0|2,0,0]=4 645 B14R1.5238 CCSc1ccc(cc1C(=O)OC)Br 62a_100000148213_100000210202 [1,1,0,0,0,0|2,0,0]=4 646 B14R1.5238 CCSc1ccc(cc1C(=O)OC)Br 62a_100000210202_100000148213 [1,1,0,0,0,0|2,0,0]=4 647 B14R1.5238 CCSc1ccc(cc1C(=O)OC)C 62a_100000210202_100012339458 [1,1,0,0,0,0|2,0,0]=4 648 B14R1.5238 CCSc1ccc(cc1C(=O)OC)C 62a_100012339458_100000210202 [1,1,0,0,0,0|2,0,0]=4 649 B14R1.5238 CCSc1ccc(cc1C(=O)OC)Cl 62a_100000210202_100011294804 [1,1,0,0,0,0|2,0,0]=4 650 B14R1.5238 CCSc1ccc(cc1C(=O)OC)Cl 62a_100011294804_100000210202 [1,1,0,0,0,0|2,0,0]=4 651 B14R1.5238 CCSc1ccc(cc1C(=O)OC)F 62a_100000205820_100000210202 [1,1,0,0,0,0|2,0,0]=4 652 B14R1.5238 CCSc1ccc(cc1C(=O)OC)F 62a_100000210202_100000205820 [1,1,0,0,0,0|2,0,0]=4 653 B14R1.5238 CCSc1ccc(cc1C(=O)OC)N 62a_100000210202_100011794239 [1,1,0,0,0,0|2,0,0]=4 654 B14R1.5238 CCSc1ccc(cc1C(=O)OC)N 62a_100000696289_100000210202 [1,1,0,0,0,0|2,0,0]=4 655 B14R1.5238 CCSc1ccc(cc1C(=O)OC)O 62a_100000210202_100010230369 [1,1,0,0,0,0|2,0,0]=4 656 B14R1.5238 CCSc1ccc(cc1C(=O)OC)O 62a_100010230369_100000210202 [1,1,0,0,0,0|2,0,0]=4 657 B14R1.5238 CNCc1ccc(cc1C(=O)OC)Br 2230a_106832991635_100000728005 [1,1,0,0,0,0|1,0,1]=4 658 B14R1.5238 CNCc1ccc(cc1C(=O)OC)Br 26a_100102657272_100000149267 [1,1,0,0,0,0|1,0,1]=4 659 B14R1.5238 CNCc1ccc(cc1C(=O)OC)Br 34a_100102657272_100000728005 [1,1,0,0,0,0|1,0,1]=4 660 B14R1.5238 CNCc1ccc(cc1C(=O)OC)Br 7a_106832991635_100000728005 [1,1,0,0,0,0|1,0,1]=4 661 B14R1.5238 CNCc1ccc(cc1C(=O)OC)Cl 2230a_106832991635_100012352085 [1,1,0,0,0,0|1,0,1]=4 662 B14R1.5238 CNCc1ccc(cc1C(=O)OC)Cl 34a_100102657272_100012352085 [1,1,0,0,0,0|1,0,1]=4 663 B14R1.5238 CNCc1ccc(cc1C(=O)OC)Cl 7a_106832991635_100012352085 [1,1,0,0,0,0|1,0,1]=4 664 B14R1.5238 CNCc1ccc(cc1C(=O)OC)F 2230a_106832991635_100000751459 [1,1,0,0,0,0|1,0,1]=4 665 B14R1.5238 CNCc1ccc(cc1C(=O)OC)F 34a_100102657272_100000751459 [1,1,0,0,0,0|1,0,1]=4 666 B14R1.5238 CNCc1ccc(cc1C(=O)OC)F 7a_106832991635_100000751459 [1,1,0,0,0,0|1,0,1]=4 667 B14R1.5238 CNCc1ccc(cc1C(=O)OC)I 2230a_106832991635_100011096949 [1,1,0,0,0,0|1,0,1]=4 668 B14R1.5238 CNCc1ccc(cc1C(=O)OC)I 34a_100102657272_100011096949 [1,1,0,0,0,0|1,0,1]=4 669 B14R1.5238 CNCc1ccc(cc1C(=O)OC)I 7a_106832991635_100011096949 [1,1,0,0,0,0|1,0,1]=4 670 B14R1.5238 COC(=O)c1cc(ccc1CSC)Br 62a_100000728005_200000210301 [1,1,0,0,0,0|0,1,1]=4 671 B14R1.5238 COC(=O)c1cc(ccc1CSC)Cl 62a_100012352085_200000210301 [1,1,0,0,0,0|0,1,1]=4 672 B14R1.5238 COC(=O)c1cc(ccc1CSC)Cl 62a_200000210301_100012352085 [1,1,0,0,0,0|0,1,1]=4 673 B14R1.5238 COC(=O)c1cc(ccc1CSC)F 62a_100000751459_200000210301 [1,1,0,0,0,0|0,1,1]=4 674 B14R1.5238 COC(=O)c1cc(ccc1CSC)F 62a_200000210301_100000751459 [1,1,0,0,0,0|0,1,1]=4 675 B14R1.5238 COC(=O)c1cc(ccc1CSC)I 62a_100011096949_200000210301 [1,1,0,0,0,0|0,1,1]=4 676 B14R1.5238 COC(=O)c1cc(ccc1CSC)I 62a_200000210301_100011096949 [1,1,0,0,0,0|0,1,1]=4 677 B14R1.5238 COC(=O)c1cc(ccc1CS[13CH3])Br 62a_100000728005_200025704644 [1,1,0,0,0,0|0,1,1]=4 678 B14R1.5238 COC(=O)c1cc(ccc1CS[13CH3])Cl 62a_100012352085_200025704644 [1,1,0,0,0,0|0,1,1]=4 679 B14R1.5238 COC(=O)c1cc(ccc1CS[13CH3])Cl 62a_200025704644_100012352085 [1,1,0,0,0,0|0,1,1]=4 680 B14R1.5238 COC(=O)c1cc(ccc1CS[13CH3])F 62a_100000751459_200025704644 [1,1,0,0,0,0|0,1,1]=4 681 B14R1.5238 COC(=O)c1cc(ccc1CS[13CH3])F 62a_200025704644_100000751459 [1,1,0,0,0,0|0,1,1]=4 682 B14R1.5238 COC(=O)c1cc(ccc1CS[13CH3])I 62a_100011096949_200025704644 [1,1,0,0,0,0|0,1,1]=4 683 B14R1.5238 COC(=O)c1cc(ccc1CS[13CH3])I 62a_200025704644_100011096949 [1,1,0,0,0,0|0,1,1]=4 684 B14R1.5238 COCc1ccc(cc1C(=O)OC)Br 34a_100138415774_100000728005 [1,1,0,0,0,0|0,0,1]=3 685 B14R1.5238 COCc1ccc(cc1C(=O)OC)Cl 34a_100138415774_100012352085 [1,1,0,0,0,0|0,0,1]=3 686 B14R1.5238 COCc1ccc(cc1C(=O)OC)F 34a_100138415774_100000751459 [1,1,0,0,0,0|0,0,1]=3 687 B14R1.5238 COCc1ccc(cc1C(=O)OC)I 34a_100138415774_100011096949 [1,1,0,0,0,0|0,0,1]=3 688 B14R1.5566 C=C=Cc1cccc(c1C(=O)OC)Br 271570a_100015277604_100010247157 [1,1,0,0,0,0|1,0,1]=4 689 B14R1.5566 C=C=Cc1cccc(c1C(=O)OC)C 271570a_100015277604_100010204206 [1,1,0,0,0,0|1,0,1]=4 690 B14R1.5566 C=C=Cc1cccc(c1C(=O)OC)Cl 271570a_100015277604_100010150959 [1,1,0,0,0,0|1,0,1]=4 691 B14R1.5566 C=C=Cc1cccc(c1C(=O)OC)F 271570a_100015277604_100000150693 [1,1,0,0,0,0|1,0,1]=4 692 B14R1.5566 C=C=Cc1cccc(c1C(=O)OC)N 271570a_100015277604_100010253892 [1,1,0,0,0,0|1,0,1]=4 693 B14R1.5566 CC=Cc1cccc(c1C(=O)NC)F 271570a_100016259895_100012642803 [1,1,0,0,0,0|2,0,0]=4 694 B14R1.5566 CC=Cc1cccc(c1C(=O)OC)Br 271570a_100016259895_100010247157 [1,1,0,0,0,0|1,0,0]=3 695 B14R1.5566 CC=Cc1cccc(c1C(=O)OC)C 271570a_100016259895_100010204206 [1,1,0,0,0,0|1,0,0]=3 696 B14R1.5566 CC=Cc1cccc(c1C(=O)OC)Cl 271570a_100016259895_100010150959 [1,1,0,0,0,0|1,0,0]=3 697 B14R1.5566 CC=Cc1cccc(c1C(=O)OC)F 271570a_100016259895_100000150693 [1,1,0,0,0,0|1,0,0]=3 698 B14R1.5566 CC=Cc1cccc(c1C(=O)OC)N 271570a_100016259895_100010253892 [1,1,0,0,0,0|1,0,0]=3 699 B14R1.5566 CC=Cc1ccnc(c1C(=O)OC)Cl 271570a_100016259895_100010138530 [1,1,0,0,0,0|2,0,0]=4 700 B14R1.5566 CC=Cc1ccnc(c1C(=O)OC)F 271570a_100016259895_100010150474 [1,1,0,0,0,0|2,0,0]=4 701 B14R1.5566 CC=Cc1cncc(c1C(=O)OC)F 271570a_100016259895_100010189632 [1,1,0,0,0,0|2,0,0]=4 702 B14R1.5566 CC=Cc1nccc(c1C(=O)OC)F 271570a_100016259895_100015560809 [1,1,0,0,0,0|2,0,0]=4 703 B14R1.5566 CC=Cc1nccc(c1C(=O)OC)N 271570a_100016259895_100009985557 [1,1,0,0,0,0|2,0,0]=4 704 B14R1.5566 CCOc1cccc(c1C(=O)OC)C 34a_100000084604_100000210202 [1,1,0,0,0,0|2,0,0]=4 705 B14R1.5566 CCOc1cccc(c1C(=O)OC)C 7a_100000084604_100000210202 [1,1,0,0,0,0|2,0,0]=4 706 B14R1.5566 CCOc1cccc(c1C(=O)OC)Cl 34a_200000055445_100000210202 [1,1,0,0,0,0|2,0,0]=4 707 B14R1.5566 CCOc1cccc(c1C(=O)OC)Cl 7a_200000055445_100000210202 [1,1,0,0,0,0|2,0,0]=4 708 B14R1.5566 CCOc1cccc(c1C(=O)OC)F 34a_100011216559_100000210202 [1,1,0,0,0,0|2,0,0]=4 709 B14R1.5566 CCOc1cccc(c1C(=O)OC)F 7a_100011216559_100000210202 [1,1,0,0,0,0|2,0,0]=4 710 B14R1.5566 CCSc1cccc(c1C(=O)OC)Br 62a_100000210202_100010247157 [1,1,0,0,0,0|2,0,0]=4 711 B14R1.5566 CCSc1cccc(c1C(=O)OC)Br 62a_100010247157_100000210202 [1,1,0,0,0,0|2,0,0]=4 712 B14R1.5566 CCSc1cccc(c1C(=O)OC)C 62a_100000210202_100010204206 [1,1,0,0,0,0|2,0,0]=4 713 B14R1.5566 CCSc1cccc(c1C(=O)OC)C 62a_100010204206_100000210202 [1,1,0,0,0,0|2,0,0]=4 714 B14R1.5566 CCSc1cccc(c1C(=O)OC)Cl 62a_100000210202_100010150959 [1,1,0,0,0,0|2,0,0]=4 715 B14R1.5566 CCSc1cccc(c1C(=O)OC)Cl 62a_100010150959_100000210202 [1,1,0,0,0,0|2,0,0]=4 716 B14R1.5566 CCSc1cccc(c1C(=O)OC)F 62a_100000150693_100000210202 [1,1,0,0,0,0|2,0,0]=4 717 B14R1.5566 CCSc1cccc(c1C(=O)OC)F 62a_100000210202_100000150693 [1,1,0,0,0,0|2,0,0]=4 718 B14R1.5566 CCSc1cccc(c1C(=O)OC)N 62a_100010253892_100000210202 [1,1,0,0,0,0|2,0,0]=4 719 B14R1.5566 CNCc1cccc(c1C(=O)OC)I 2230a_106832991635_200010272806 [1,1,0,0,0,0|1,0,1]=4 720 B14R1.5566 CNCc1cccc(c1C(=O)OC)I 34a_100102657272_200010272806 [1,1,0,0,0,0|1,0,1]=4 721 B14R1.5566 CNCc1cccc(c1C(=O)OC)I 7a_106832991635_200010272806 [1,1,0,0,0,0|1,0,1]=4 722 B14R1.5566 COC(=O)c1c(cccc1CSC)I 62a_200000210301_200010272806 [1,1,0,0,0,0|0,1,1]=4 723 B14R1.5566 COC(=O)c1c(cccc1CSC)I 62a_200010272806_200000210301 [1,1,0,0,0,0|0,1,1]=4 724 B14R1.5566 COC(=O)c1c(cccc1CS[13CH3])I 62a_200010272806_200025704644 [1,1,0,0,0,0|0,1,1]=4 725 B14R1.5566 COC(=O)c1c(cccc1CS[13CH3])I 62a_200025704644_200010272806 [1,1,0,0,0,0|0,1,1]=4 726 B14R1.5566 COCc1cccc(c1C(=O)OC)I 34a_100138415774_200010272806 [1,1,0,0,0,0|0,0,1]=3 727 B14R1.317 CCS(=O)(=O)c1ccccc1C(=O)C 1458a_100000199001_200000210301 [1,1,0,0,0,0|2,0,0]=4 728 B14R1.317 CCS(=O)(=O)c1ccccc1C(=O)[13CH3] 1458a_100000199001_200025704644 [1,1,0,0,0,0|2,0,0]=4 729 B14R1.429 C=C(C)c1ccccc1C(=O)N(C)C 271570a_100000694244_100000159526 [1,1,0,0,0,0|2,0,0]=4 730 B14R1.429 CC(=O)c1ccccc1C(=C(C)C)C 271570a_200000049429_100000751169 [1,1,0,0,0,0|2,0,0]=4 731 B14R1.429 CC(=O)c1ccccc1C(=O)N(C)C 1458a_200000753992_200000210301 [1,1,0,0,0,0|1,0,0]=3 732 B14R1.429 CC(C)C(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210206 [1,1,0,0,0,0|2,0,0]=4 733 B14R1.429 CN(C)C(=O)c1ccccc1C(=O)[13CH3] 1458a_200000753992_200025704644 [1,1,0,0,0,0|1,0,0]=3 734 B14R1.429 CN(C)C(=O)c1ccccc1S(=O)C 1626a_100102631434_100000204632 [1,1,0,0,0,0|2,0,0]=4 735 B14R1.429 CN(C)C(=O)c1ccccc1S(=O)C 240690a_100102631434_100000204632 [1,1,0,0,0,0|2,0,0]=4 736 B14R1.623 C=C(C)c1ccccc1C(=O)NCC 271570a_100000694244_200000155173 [1,1,0,0,0,0|2,0,0]=4 737 B14R1.623 C=C(C)c1ccccc1C(=O)OCC 271570a_100000694244_100000169879 [1,1,0,0,0,0|1,0,0]=3 738 B14R1.623 C=C(C)c1cccnc1C(=O)OCC 271570a_100000694244_100012351660 [1,1,0,0,0,0|2,0,0]=4 739 B14R1.623 C=C(C)c1ccncc1C(=O)OCC 271570a_100000694244_100016987518 [1,1,0,0,0,0|2,0,0]=4 740 B14R1.623 C=C(C)c1cnccc1C(=O)OCC 271570a_100000694244_100010238393 [1,1,0,0,0,0|2,0,0]=4 741 B14R1.623 C=C(C)c1ncccc1C(=O)OCC 271570a_100000694244_100000170124 [1,1,0,0,0,0|2,0,0]=4 742 B14R1.623 CCCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210303 [1,1,0,0,0,0|2,0,0]=4 743 B14R1.623 CCNC(=O)c1ccccc1S(=O)C 240690a_100015525214_100000204632 [1,1,0,0,0,0|2,0,0]=4 744 B14R1.623 CCOC(=O)c1ccccc1N(C)C 2230a_100160572725_200000210301 [1,1,0,0,0,0|2,0,0]=4 745 B14R1.623 CCOC(=O)c1ccccc1N(C)C 269982a_100160572725_200000210301 [1,1,0,0,0,0|2,0,0]=4 746 B14R1.623 CCOC(=O)c1ccccc1N(C)[13CH3] 2230a_100160572725_200025704644 [1,1,0,0,0,0|2,0,0]=4 747 B14R1.623 CCOC(=O)c1ccccc1N(C)[13CH3] 269982a_100160572725_200025704644 [1,1,0,0,0,0|2,0,0]=4 748 B14R1.623 CNNC(=O)c1ccccc1S(=O)C 22a_100016993582_100000204632 [1,1,0,0,0,0|2,0,0]=4 749 B14R1.623 CS(=O)c1ccccc1C(=O)CCF 1458a_100000204632_100011217306 [1,1,0,0,0,0|2,0,0]=4 750 B14R1.623 CS(=O)c1ccccc1C(=O)CCO 1458a_100000204632_100000211926 [1,1,0,0,0,0|2,0,0]=4 751 B14R1.707 C=C(C)c1ccc(cc1C(=O)NC)Cl 271570a_100000694244_200011279454 [1,1,0,0,0,0|2,0,0]=4 752 B14R1.707 C=C(C)c1ccc(cc1C(=O)NC)F 271570a_100000694244_200000206232 [1,1,0,0,0,0|2,0,0]=4 753 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)Br 271570a_100000694244_100000148213 [1,1,0,0,0,0|1,0,0]=3 754 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)C 271570a_100000694244_100012339458 [1,1,0,0,0,0|1,0,0]=3 755 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)Cl 271570a_100000694244_100011294804 [1,1,0,0,0,0|1,0,0]=3 756 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)F 271570a_100000694244_100000205820 [1,1,0,0,0,0|1,0,0]=3 757 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)N 271570a_100000694244_100000696289 [1,1,0,0,0,0|1,0,0]=3 758 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)O 271570a_100000694244_100010230369 [1,1,0,0,0,0|1,0,0]=3 759 B14R1.707 C=C(C)c1ccc(nc1C(=O)OC)N 271570a_100000694244_100009816986 [1,1,0,0,0,0|2,0,0]=4 760 B14R1.707 C=C(C)c1ccc(nc1C(=O)OC)O 271570a_100000694244_100010189638 [1,1,0,0,0,0|2,0,0]=4 761 B14R1.707 C=C(C)c1cnc(cc1C(=O)OC)N 271570a_100000694244_100011934820 [1,1,0,0,0,0|2,0,0]=4 762 B14R1.707 C=C(C)c1cnc(cc1C(=O)OC)O 271570a_100000694244_100009816900 [1,1,0,0,0,0|2,0,0]=4 763 B14R1.707 C=C(C)c1ncc(cc1C(=O)OC)C 271570a_100000694244_100000085774 [1,1,0,0,0,0|2,0,0]=4 764 B14R1.707 C=C(C)c1ncc(cc1C(=O)OC)F 271570a_100000694244_100012000215 [1,1,0,0,0,0|2,0,0]=4 765 B14R1.707 C=C(C)c1ncc(cc1C(=O)OC)N 271570a_100000694244_200012182668 [1,1,0,0,0,0|2,0,0]=4 766 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Br 269982a_200000216482_200000210301 [1,1,0,0,0,0|2,0,0]=4 767 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Br 34a_200000216482_200000210301 [1,1,0,0,0,0|2,0,0]=4 768 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Br 7a_200000216482_200000210301 [1,1,0,0,0,0|2,0,0]=4 769 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Cl 269982a_100000216484_200000210301 [1,1,0,0,0,0|2,0,0]=4 770 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Cl 34a_100000216484_200000210301 [1,1,0,0,0,0|2,0,0]=4 771 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Cl 38a_100000216484_200000210301 [1,1,0,0,0,0|2,0,0]=4 772 B14R1.707 COC(=O)c1cc(ccc1N(C)C)F 269982a_100011806480_200000210301 [1,1,0,0,0,0|2,0,0]=4 773 B14R1.707 COC(=O)c1cc(ccc1N(C)C)F 34a_100011806480_200000210301 [1,1,0,0,0,0|2,0,0]=4 774 B14R1.707 COC(=O)c1cc(ccc1N(C)C)F 38a_100011806480_200000210301 [1,1,0,0,0,0|2,0,0]=4 775 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Br 269982a_200000216482_200025704644 [1,1,0,0,0,0|2,0,0]=4 776 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Br 34a_200000216482_200025704644 [1,1,0,0,0,0|2,0,0]=4 777 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Br 7a_200000216482_200025704644 [1,1,0,0,0,0|2,0,0]=4 778 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Cl 269982a_100000216484_200025704644 [1,1,0,0,0,0|2,0,0]=4 779 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Cl 34a_100000216484_200025704644 [1,1,0,0,0,0|2,0,0]=4 780 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Cl 38a_100000216484_200025704644 [1,1,0,0,0,0|2,0,0]=4 781 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])F 269982a_100011806480_200025704644 [1,1,0,0,0,0|2,0,0]=4 782 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])F 34a_100011806480_200025704644 [1,1,0,0,0,0|2,0,0]=4 783 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])F 38a_100011806480_200025704644 [1,1,0,0,0,0|2,0,0]=4 784 B14R1.745 CCC(=O)c1ccccc1S(=O)(=O)C 1458a_100000185186_100000210202 [1,1,0,0,0,0|2,0,0]=4 785 B14R1.745 CNC(=O)c1ccccc1S(=O)(=O)C 11a_106832991635_100000185186 [1,1,0,0,0,0|2,0,0]=4 786 B14R1.745 CNC(=O)c1ccccc1S(=O)(=O)C 1626a_100102657272_100000185186 [1,1,0,0,0,0|2,0,0]=4 787 B14R1.745 CNC(=O)c1ccccc1S(=O)(=O)C 240690a_100102657272_100000185186 [1,1,0,0,0,0|2,0,0]=4 788 B14R1.1126 C=C(C)c1cc(ccc1C(=O)CC)C 271570a_100000694244_200012349623 [1,1,0,0,0,0|2,0,0]=4 789 B14R1.1126 C=C(C)c1cc(ccc1C(=O)NC)F 271570a_100000694244_200000206206 [1,1,0,0,0,0|2,0,0]=4 790 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)Br 271570a_100000694244_100000701758 [1,1,0,0,0,0|1,0,0]=3 791 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)C 271570a_100000694244_100012340597 [1,1,0,0,0,0|1,0,0]=3 792 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)Cl 271570a_100000694244_100000047510 [1,1,0,0,0,0|1,0,0]=3 793 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)F 271570a_100000694244_100000204356 [1,1,0,0,0,0|1,0,0]=3 794 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)N 271570a_100000694244_100009998378 [1,1,0,0,0,0|1,0,0]=3 795 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)O 271570a_100000694244_100010150825 [1,1,0,0,0,0|1,0,0]=3 796 B14R1.1126 C=C(C)c1cc(cnc1C(=O)OC)C 271570a_100000694244_100010167497 [1,1,0,0,0,0|2,0,0]=4 797 B14R1.1126 C=C(C)c1cc(cnc1C(=O)OC)F 271570a_100000694244_100010189631 [1,1,0,0,0,0|2,0,0]=4 798 B14R1.1126 C=C(C)c1cc(ncc1C(=O)OC)C 271570a_100000694244_100011998247 [1,1,0,0,0,0|2,0,0]=4 799 B14R1.1126 C=C(C)c1nc(ccc1C(=O)OC)C 271570a_100000694244_100000054099 [1,1,0,0,0,0|2,0,0]=4 800 B14R1.1126 C=C(C)c1nc(ccc1C(=O)OC)N 271570a_100000694244_100009865240 [1,1,0,0,0,0|2,0,0]=4 801 B14R1.1126 C=C(C)c1nc(ccc1C(=O)OC)O 271570a_100000694244_100016008356 [1,1,0,0,0,0|2,0,0]=4 802 B14R1.1126 COC(=O)c1ccc(cc1B(O)O)O 271570a_203496583355_100000070578 [1,1,0,0,0,0|1,0,1]=4 803 B14R1.1126 COC(=O)c1ccc(cc1C(=O)C)F 1458a_200010710419_200000210301 [1,1,0,0,0,0|0,0,0]=2 804 B14R1.1126 COC(=O)c1ccc(cc1C(=O)[13CH3])F 1458a_200010710419_200025704644 [1,1,0,0,0,0|0,0,0]=2 805 B14R1.1126 COC(=O)c1ccc(cc1N(C)C)Br 269982a_200160487225_200000210301 [1,1,0,0,0,0|2,0,0]=4 806 B14R1.1126 COC(=O)c1ccc(cc1N(C)C)Br 34a_200160487225_200000210301 [1,1,0,0,0,0|2,0,0]=4 807 B14R1.1126 COC(=O)c1ccc(cc1N(C)[13CH3])Br 269982a_200160487225_200025704644 [1,1,0,0,0,0|2,0,0]=4 808 B14R1.1126 COC(=O)c1ccc(cc1N(C)[13CH3])Br 34a_200160487225_200025704644 [1,1,0,0,0,0|2,0,0]=4 809 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)Br 271570a_100000694244_100010150843 [1,1,0,0,0,0|1,0,0]=3 810 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)C 271570a_100000694244_100012002529 [1,1,0,0,0,0|1,0,0]=3 811 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)F 271570a_100000694244_100012357630 [1,1,0,0,0,0|1,0,0]=3 812 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)N 271570a_100000694244_100000719424 [1,1,0,0,0,0|1,0,0]=3 813 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)O 271570a_100000694244_200010230364 [1,1,0,0,0,0|1,0,0]=3 814 B14R1.1153 COC(=O)c1cccc(c1C(=O)C)Br 1458a_100010710481_200000210301 [1,1,0,0,0,0|0,0,0]=2 815 B14R1.1153 COC(=O)c1cccc(c1C(=O)[13CH3])Br 1458a_100010710481_200025704644 [1,1,0,0,0,0|0,0,0]=2 816 B14R1.1164 C=C(C)c1cccc(c1C(=O)NC)F 271570a_100000694244_100012642803 [1,1,0,0,0,0|2,0,0]=4 817 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)Br 271570a_100000694244_100010247157 [1,1,0,0,0,0|1,0,0]=3 818 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)C 271570a_100000694244_100010204206 [1,1,0,0,0,0|1,0,0]=3 819 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)Cl 271570a_100000694244_100010150959 [1,1,0,0,0,0|1,0,0]=3 820 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)F 271570a_100000694244_100000150693 [1,1,0,0,0,0|1,0,0]=3 821 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)N 271570a_100000694244_100010253892 [1,1,0,0,0,0|1,0,0]=3 822 B14R1.1164 C=C(C)c1ccnc(c1C(=O)OC)Cl 271570a_100000694244_100010138530 [1,1,0,0,0,0|2,0,0]=4 823 B14R1.1164 C=C(C)c1ccnc(c1C(=O)OC)F 271570a_100000694244_100010150474 [1,1,0,0,0,0|2,0,0]=4 824 B14R1.1164 C=C(C)c1cncc(c1C(=O)OC)F 271570a_100000694244_100010189632 [1,1,0,0,0,0|2,0,0]=4 825 B14R1.1164 C=C(C)c1nccc(c1C(=O)OC)F 271570a_100000694244_100015560809 [1,1,0,0,0,0|2,0,0]=4 826 B14R1.1164 C=C(C)c1nccc(c1C(=O)OC)N 271570a_100000694244_100009985557 [1,1,0,0,0,0|2,0,0]=4 827 B14R1.1164 COC(=O)c1c(cccc1N(C)C)Cl 269982a_200010565112_200000210301 [1,1,0,0,0,0|2,0,0]=4 828 B14R1.1164 COC(=O)c1c(cccc1N(C)C)Cl 34a_200010565112_200000210301 [1,1,0,0,0,0|2,0,0]=4 829 B14R1.1164 COC(=O)c1c(cccc1N(C)[13CH3])Cl 269982a_200010565112_200025704644 [1,1,0,0,0,0|2,0,0]=4 830 B14R1.1164 COC(=O)c1c(cccc1N(C)[13CH3])Cl 34a_200010565112_200025704644 [1,1,0,0,0,0|2,0,0]=4 831 B14R1.7735 COC(=O)c1nc([nH]c1C(=O)OC)O 271570a_203496583355_100010205406 [0,1,0,0,1,0|2,0,0]=4 832 B16R1.960 C#CC(=O)Cc1ccccc1C(=O)OCC 1458a_100000211873_100009816840 [0,1,0,0,0,1|1,0,1]=4 833 B16R1.960 C#CCC(=O)c1ccccc1CC(=O)OC 1458a_100000726341_100000184674 [0,1,0,0,0,1|1,0,1]=4 834 B16R1.960 C=CC(=O)Cc1ccccc1C(=O)OCC 1458a_100000185746_100009816840 [0,1,0,0,0,1|1,0,1]=4 835 B16R1.960 C=CC(=O)Nc1ccccc1C(=O)NOC 1626a_100011599994_100000185746 [0,1,0,0,0,1|1,0,1]=4 836 B16R1.960 C=CC(=O)Nc1ccccc1C(=O)NOC 22a_100011599994_100000185746 [0,1,0,0,0,1|1,0,1]=4 837 B16R1.960 C=CCC(=O)c1ccccc1CC(=O)OC 1458a_100000726341_100000210623 [0,1,0,0,0,1|1,0,1]=4 838 B16R1.960 CCC(=O)Nc1ccccc1C(=O)CCF 1458a_100000194446_100011217306 [0,1,0,0,0,1|2,0,0]=4 839 B16R1.960 CCC(=O)Nc1ccccc1C(=O)CCO 1458a_100000194446_100000211926 [0,1,0,0,0,1|2,0,0]=4 840 B16R1.960 CCC(=O)Nc1ccccc1C(=O)NOC 11a_100011599994_100000210414 [0,1,0,0,0,1|1,0,0]=3 841 B16R1.960 CCC(=O)Nc1ccccc1C(=O)NOC 1626a_100011599994_100000210414 [0,1,0,0,0,1|1,0,0]=3 842 B16R1.960 CCC(=O)Nc1ccccc1C(=O)NOC 22a_100011599994_100000210414 [0,1,0,0,0,1|1,0,0]=3 843 B16R1.960 CCCC(=O)c1ccccc1CC(=O)OC 1458a_100000726341_100000210303 [0,1,0,0,0,1|1,0,0]=3 844 B16R1.960 CCCC(=O)c1ccccc1NC(=O)CC 1458a_100000194446_100000210303 [0,1,0,0,0,1|2,0,0]=4 845 B16R1.960 CCNC(=O)c1ccccc1CC(=O)OC 240690a_100015525214_100000726341 [0,1,0,0,0,1|1,0,0]=3 846 B16R1.960 CCNC(=O)c1ccccc1NC(=O)CC 11a_100000205978_100000210414 [0,1,0,0,0,1|2,0,0]=4 847 B16R1.960 CCNC(=O)c1ccccc1NC(=O)CC 1626a_100000205978_100000210414 [0,1,0,0,0,1|2,0,0]=4 848 B16R1.960 CCNC(=O)c1ccccc1NC(=O)CC 22a_100000205978_100000210414 [0,1,0,0,0,1|2,0,0]=4 849 B16R1.960 CCNC(=O)c1ccccc1NC(=O)CC 240690a_100015525214_100000194446 [0,1,0,0,0,1|2,0,0]=4 850 B16R1.960 CCNC(=O)c1ccccc1NC(=O)CC 527a_100015525214_100000194446 [0,1,0,0,0,1|2,0,0]=4 851 B16R1.960 CCNC(=O)c1ccccc1NC(=O)NC 2430a_100000205978_100102657272 [0,1,0,0,0,1|2,0,0]=4 852 B16R1.960 CCOC(=O)c1ccccc1CC(=O)CC 1458a_100000210414_100009816840 [0,1,0,0,0,1|1,0,0]=3 853 B16R1.960 CCOC(=O)c1ccccc1CC(=O)CO 1458a_100000210174_100009816840 [0,1,0,0,0,1|2,0,0]=4 854 B16R1.960 CCOC(=O)c1ccccc1SC(C)OC 62a_100000169876_100009879195 [0,1,0,0,0,1|1,0,1]=4 855 B16R1.960 CCOC(=O)c1ccccc1SC(C)OC 62a_100009879195_100000169879 [0,1,0,0,0,1|1,0,1]=4 856 B16R1.960 CNC(=O)Nc1ccccc1C(=O)NOC 2430a_100011599994_100102657272 [0,1,0,0,0,1|1,0,0]=3 857 B16R1.960 CNNC(=O)c1ccccc1CC(=O)OC 22a_100016993582_100000726341 [0,1,0,0,0,1|1,0,0]=3 858 B16R1.960 COC(=O)Cc1ccccc1C(=O)CC#N 1458a_100000726341_100011214920 [0,1,0,0,0,1|1,0,1]=4 859 B16R1.960 COC(=O)Cc1ccccc1C(=O)CCF 1458a_100000726341_100011217306 [0,1,0,0,0,1|1,0,0]=3 860 B16R1.960 COC(=O)Cc1ccccc1C(=O)CCO 1458a_100000726341_100000211926 [0,1,0,0,0,1|1,0,0]=3 861 B16R1.960 CONC(=O)c1ccccc1NC(=O)CO 22a_100011599994_100000210174 [0,1,0,0,0,1|2,0,0]=4 862 B16R1.1177 C=CC(=O)N(C)c1ccccc1C(=O)OC 1626a_100000170468_100000185746 [0,1,0,0,0,1|1,0,1]=4 863 B16R1.1177 CCC(=O)N(C)c1ccccc1C(=O)OC 11a_100000170468_100000210414 [0,1,0,0,0,1|1,0,0]=3 864 B16R1.1177 CCC(=O)N(C)c1ccccc1C(=O)OC 1626a_100000170468_100000210414 [0,1,0,0,0,1|1,0,0]=3 865 B16R1.1177 CCC(=O)c1ccccc1N(C)C(=O)OC 1458a_100000744063_100000210202 [0,1,0,0,0,1|1,0,0]=3 866 B16R1.1177 CNC(=O)N(C)c1ccccc1C(=O)OC 512a_106832991638_100000170468 [0,1,0,0,0,1|1,0,0]=3 867 B16R1.1177 CNC(=O)c1ccccc1N(C)C(=O)OC 1626a_100102657272_100000744063 [0,1,0,0,0,1|1,0,0]=3 868 B16R1.1177 CNC(=O)c1ccccc1N(C)C(=O)OC 240690a_100102657272_100000744063 [0,1,0,0,0,1|1,0,0]=3 869 B16R1.1177 COC(=O)N(C)c1ccccc1C(=O)CF 1458a_100000744063_100015361967 [0,1,0,0,0,1|2,0,0]=4 870 B16R1.1177 COC(=O)c1ccccc1N(C)C(C)OC 269982a_100000170468_100009879195 [0,1,0,0,0,1|1,0,1]=4 871 B16R1.1556 C#CCC(=O)Cc1ccccc1C(=O)OC 1458a_100000695166_100000184674 [0,1,0,0,0,1|1,0,1]=4 872 B16R1.1556 C#CCC(=O)Cc1ccccc1C(=O)OC 1458a_100011220946_100000744672 [0,1,0,0,0,1|1,0,1]=4 873 B16R1.1556 C=CCC(=O)Cc1ccccc1C(=O)OC 1458a_100000210193_100000744672 [0,1,0,0,0,1|1,0,1]=4 874 B16R1.1556 C=CCC(=O)Cc1ccccc1C(=O)OC 1458a_100000695166_100000210623 [0,1,0,0,0,1|1,0,1]=4 875 B16R1.1556 CC#CC(=O)Cc1ccccc1C(=O)OC 1458a_100000763181_100000744672 [0,1,0,0,0,1|1,0,0]=3 876 B16R1.1556 CC#CC(=O)Cc1cccnc1C(=O)OC 1458a_100000763181_100010177730 [0,1,0,0,0,1|2,0,0]=4 877 B16R1.1556 CC#CC(=O)Cc1ncccc1C(=O)OC 1458a_100000763181_100000709840 [0,1,0,0,0,1|2,0,0]=4 878 B16R1.1556 CC#CC(=O)Nc1ccccc1C(=O)NC 22a_100000185696_100000763181 [0,1,0,0,0,1|2,0,0]=4 879 B16R1.1556 CC=CC(=O)Cc1ccccc1C(=O)OC 1458a_100000210699_100000744672 [0,1,0,0,0,1|1,0,0]=3 880 B16R1.1556 CC=CC(=O)Cc1cccnc1C(=O)OC 1458a_100000210699_100010177730 [0,1,0,0,0,1|2,0,0]=4 881 B16R1.1556 CC=CC(=O)Cc1ncccc1C(=O)OC 1458a_100000210699_100000709840 [0,1,0,0,0,1|2,0,0]=4 882 B16R1.1556 CC=CC(=O)Nc1ccccc1C(=O)NC 11a_100000185696_100000210699 [0,1,0,0,0,1|2,0,0]=4 883 B16R1.1556 CC=CC(=O)Nc1ccccc1C(=O)NC 1626a_100000185696_100000210699 [0,1,0,0,0,1|2,0,0]=4 884 B16R1.1556 CC=CC(=O)Nc1ccccc1C(=O)NC 22a_100000185696_100000210699 [0,1,0,0,0,1|2,0,0]=4 885 B16R1.1556 CCC(=O)c1ccccc1NC(=O)COC 1458a_100000194449_100000210202 [0,1,0,0,0,1|1,0,0]=3 886 B16R1.1556 CCCC(=O)Cc1ccccc1C(=O)OC 1458a_100000211992_100000744672 [0,1,0,0,0,1|1,0,0]=3 887 B16R1.1556 CCCC(=O)Cc1ccccc1C(=O)OC 1458a_100000695166_100000210303 [0,1,0,0,0,1|1,0,0]=3 888 B16R1.1556 CCCC(=O)Cc1cccnc1C(=O)OC 1458a_100000211992_100010177730 [0,1,0,0,0,1|2,0,0]=4 889 B16R1.1556 CCCC(=O)Cc1ncccc1C(=O)OC 1458a_100000211992_100000709840 [0,1,0,0,0,1|2,0,0]=4 890 B16R1.1556 CCCC(=O)Nc1ccccc1C(=O)CC 1458a_100011208156_100000210202 [0,1,0,0,0,1|2,0,0]=4 891 B16R1.1556 CCCC(=O)Nc1ccccc1C(=O)NC 11a_100000185696_100000211992 [0,1,0,0,0,1|2,0,0]=4 892 B16R1.1556 CCCC(=O)Nc1ccccc1C(=O)NC 1626a_100000185696_100000211992 [0,1,0,0,0,1|2,0,0]=4 893 B16R1.1556 CCCC(=O)Nc1ccccc1C(=O)NC 22a_100000185696_100000211992 [0,1,0,0,0,1|2,0,0]=4 894 B16R1.1556 CCCC(=O)Nc1ccccc1C(=O)NC 240690a_100102657272_100011208156 [0,1,0,0,0,1|2,0,0]=4 895 B16R1.1556 CCNC(=O)Cc1ccccc1C(=O)OC 11a_100015525214_100000695166 [0,1,0,0,0,1|1,0,0]=3 896 B16R1.1556 CCNC(=O)Cc1ccccc1C(=O)OC 240690a_100015525214_100000695166 [0,1,0,0,0,1|1,0,0]=3 897 B16R1.1556 CCNC(=O)Nc1ccccc1C(=O)NC 2430a_100000185696_100015525214 [0,1,0,0,0,1|2,0,0]=4 898 B16R1.1556 CNC(=O)c1ccccc1NC(=O)CCO 22a_100000185696_100011216618 [0,1,0,0,0,1|2,0,0]=4 899 B16R1.1556 CNC(=O)c1ccccc1NC(=O)COC 11a_100000185696_100000210968 [0,1,0,0,0,1|1,0,0]=3 900 B16R1.1556 CNC(=O)c1ccccc1NC(=O)COC 1626a_100000185696_100000210968 [0,1,0,0,0,1|1,0,0]=3 901 B16R1.1556 CNC(=O)c1ccccc1NC(=O)COC 22a_100000185696_100000210968 [0,1,0,0,0,1|1,0,0]=3 902 B16R1.1556 CNC(=O)c1ccccc1NC(=O)COC 240690a_100102657272_100000194449 [0,1,0,0,0,1|1,0,0]=3 903 B16R1.1556 CNC(=O)c1ccccc1NC(=O)CSC 11a_100000185696_100000184570 [0,1,0,0,0,1|1,1,0]=4 904 B16R1.1556 CNC(=O)c1ccccc1NC(=O)CSC 1626a_100000185696_100000184570 [0,1,0,0,0,1|1,1,0]=4 905 B16R1.1556 CNC(=O)c1ccccc1NC(=O)CSC 22a_100000185696_100000184570 [0,1,0,0,0,1|1,1,0]=4 906 B16R1.1556 CNCC(=O)Nc1ccccc1C(=O)OC 2230a_106832991635_100000181727 [0,1,0,0,0,1|1,0,0]=3 907 B16R1.1556 CNCC(=O)Nc1ccccc1C(=O)OC 34a_100102657272_100000181727 [0,1,0,0,0,1|1,0,0]=3 908 B16R1.1556 CNCC(=O)Nc1ccccc1C(=O)OC 7a_106832991635_100000181727 [0,1,0,0,0,1|1,0,0]=3 909 B16R1.1556 CNNC(=O)Cc1ccccc1C(=O)OC 22a_100016993582_100000695166 [0,1,0,0,0,1|1,0,0]=3 910 B16R1.1556 COC(=O)c1ccccc1CC(=O)C=CBr 1458a_100016273825_100000744672 [0,1,0,0,0,1|1,0,1]=4 911 B16R1.1556 COC(=O)c1ccccc1CC(=O)C=CCl 1458a_200016279998_100000744672 [0,1,0,0,0,1|1,0,1]=4 912 B16R1.1556 COC(=O)c1ccccc1CC(=O)C=CI 1458a_100016256311_100000744672 [0,1,0,0,0,1|1,0,1]=4 913 B16R1.1556 COC(=O)c1ccccc1CC(=O)CC#N 1458a_100000695166_100011214920 [0,1,0,0,0,1|1,0,1]=4 914 B16R1.1556 COC(=O)c1ccccc1CC(=O)CC#N 1458a_100051588842_100000744672 [0,1,0,0,0,1|1,0,1]=4 915 B16R1.1556 COC(=O)c1ccccc1CC(=O)CCF 1458a_100000695166_100011217306 [0,1,0,0,0,1|1,0,0]=3 916 B16R1.1556 COC(=O)c1ccccc1CC(=O)CCO 1458a_100000695166_100000211926 [0,1,0,0,0,1|1,0,0]=3 917 B16R1.1556 COC(=O)c1ccccc1CC(=O)CCO 1458a_100011216618_100000744672 [0,1,0,0,0,1|1,0,0]=3 918 B16R1.1556 COC(=O)c1ccccc1CC(=O)CSC 1458a_100000184570_100000744672 [0,1,0,0,0,1|0,1,0]=3 919 B16R1.1556 COC(=O)c1ccccc1NC(=O)CSC 62a_200000210301_100000181727 [0,1,0,0,0,1|0,1,0]=3 920 B16R1.1556 COC(=O)c1ccccc1NC(=O)CS[13CH3] 62a_200025704644_100000181727 [0,1,0,0,0,1|0,1,0]=3 921 B16R1.1556 COC(=O)c1cccnc1CC(=O)CCO 1458a_100011216618_100000709840 [0,1,0,0,0,1|2,0,0]=4 922 B16R1.1556 COC(=O)c1cccnc1CC(=O)CSC 1458a_100000184570_100000709840 [0,1,0,0,0,1|1,1,0]=4 923 B16R1.1556 COC(=O)c1ncccc1CC(=O)CCO 1458a_100011216618_100010177730 [0,1,0,0,0,1|2,0,0]=4 924 B16R1.1556 COC(=O)c1ncccc1CC(=O)CSC 1458a_100000184570_100010177730 [0,1,0,0,0,1|1,1,0]=4 925 B16R1.1556 COCC(=O)Cc1ccccc1C(=O)OC 1458a_100000210968_100000744672 [0,1,0,0,0,1|0,0,0]=2 926 B16R1.1556 COCC(=O)Cc1cccnc1C(=O)OC 1458a_100000210968_100010177730 [0,1,0,0,0,1|1,0,0]=3 927 B16R1.1556 COCC(=O)Cc1ncccc1C(=O)OC 1458a_100000210968_100000709840 [0,1,0,0,0,1|1,0,0]=3 928 B16R1.1556 COCC(=O)Nc1ccccc1C(=O)CF 1458a_100000194449_100015361967 [0,1,0,0,0,1|2,0,0]=4 929 B16R1.1556 COCC(=O)Nc1ccccc1C(=O)OC 34a_100138415774_100000181727 [0,1,0,0,0,1|0,0,0]=2 930 B16R1.1556 COCC(C)Oc1ccccc1C(=O)OC 7a_100000150335_100000765312 [0,1,0,0,0,1|1,0,1]=4 931 B16R1.1556 COCC(C)Sc1ccccc1C(=O)OC 62a_100000148710_100000765312 [0,1,0,0,0,1|1,0,1]=4 932 B16R1.1556 COCC(C)Sc1ccccc1C(=O)OC 62a_100000765312_100000148710 [0,1,0,0,0,1|1,0,1]=4 933 B16R1.4412 CCC(=O)Nc1ccccc1C(=O)C(C)C 1458a_100000194446_100000210206 [0,1,0,0,0,1|2,0,0]=4 934 B16R1.4412 CCC(=O)Nc1ccccc1C(=O)N(C)C 11a_100000188421_100000210414 [0,1,0,0,0,1|2,0,0]=4 935 B16R1.4412 CCC(=O)Nc1ccccc1C(=O)N(C)C 1626a_100000188421_100000210414 [0,1,0,0,0,1|2,0,0]=4 936 B16R1.4412 CCC(=O)Nc1ccccc1C(=O)N(C)C 22a_100000188421_100000210414 [0,1,0,0,0,1|2,0,0]=4 937 B16R1.4412 CCC(=O)Nc1ccccc1C(=O)N(C)C 240690a_100102631434_100000194446 [0,1,0,0,0,1|2,0,0]=4 938 B16R1.4412 CCC(=O)Nc1ccccc1C(=O)N(C)C 527a_100102631434_100000194446 [0,1,0,0,0,1|2,0,0]=4 939 B16R1.4412 CNC(=O)Nc1ccccc1C(=O)N(C)C 2430a_100000188421_100102657272 [0,1,0,0,0,1|2,0,0]=4 940 B16R1.4412 CNC(=O)Nc1ccccc1C(=O)N(C)C 512a_100000188421_100102657272 [0,1,0,0,0,1|2,0,0]=4 941 B16R1.4412 COC(=O)Cc1ccccc1C(=C(C)C)C 271570a_200000049429_100000699816 [0,1,0,0,0,1|2,0,0]=4 942 B16R1.4412 COC(=O)Cc1ccccc1C(=O)C(C)C 1458a_100000726341_100000210206 [0,1,0,0,0,1|1,0,0]=3 943 B16R1.4412 COC(=O)Cc1ccccc1C(=O)N(C)C 1626a_100102631434_100000726341 [0,1,0,0,0,1|1,0,0]=3 944 B16R1.4412 COC(=O)Cc1ccccc1C(=O)N(C)C 240690a_100102631434_100000726341 [0,1,0,0,0,1|1,0,0]=3 945 B16R1.4412 COC(=O)Nc1ccccc1C(=C(C)C)C 271570a_200000049429_100000216184 [0,1,0,0,0,1|2,0,0]=4 946 B16R1.16698 C=C(C)C(=O)Cc1ccccc1C(=O)OC 1458a_100000185857_100000744672 [0,1,0,0,0,1|1,0,0]=3 947 B16R1.16698 C=C(C)C(=O)Cc1cccnc1C(=O)OC 1458a_100000185857_100010177730 [0,1,0,0,0,1|2,0,0]=4 948 B16R1.16698 C=C(C)C(=O)Cc1ncccc1C(=O)OC 1458a_100000185857_100000709840 [0,1,0,0,0,1|2,0,0]=4 949 B16R1.16698 C=C(C)C(=O)Nc1ccccc1C(=O)NC 11a_100000185696_100000185857 [0,1,0,0,0,1|2,0,0]=4 950 B16R1.16698 C=C(C)C(=O)Nc1ccccc1C(=O)NC 1626a_100000185696_100000185857 [0,1,0,0,0,1|2,0,0]=4 951 B16R1.16698 C=C(C)C(=O)Nc1ccccc1C(=O)NC 22a_100000185696_100000185857 [0,1,0,0,0,1|2,0,0]=4 952 B16R1.16698 CCC(=O)c1ccccc1NC(=O)C(C)C 1458a_100000194445_100000210202 [0,1,0,0,0,1|2,0,0]=4 953 B16R1.16698 CNC(=O)c1ccccc1NC(=O)C(C)C 11a_100000185696_100000210198 [0,1,0,0,0,1|2,0,0]=4 954 B16R1.16698 CNC(=O)c1ccccc1NC(=O)C(C)C 1626a_100000185696_100000210198 [0,1,0,0,0,1|2,0,0]=4 955 B16R1.16698 CNC(=O)c1ccccc1NC(=O)C(C)C 22a_100000185696_100000210198 [0,1,0,0,0,1|2,0,0]=4 956 B16R1.16698 CNC(=O)c1ccccc1NC(=O)C(C)C 240690a_100102657272_100000194445 [0,1,0,0,0,1|2,0,0]=4 957 B16R1.16698 CNC(=O)c1ccccc1NC(=O)C(C)F 11a_100000185696_100000062450 [0,1,0,0,0,1|2,0,0]=4 958 B16R1.16698 CNC(=O)c1ccccc1NC(=O)C(C)F 1626a_100000185696_100000062450 [0,1,0,0,0,1|2,0,0]=4 959 B16R1.16698 CNC(=O)c1ccccc1NC(=O)C(C)F 22a_100000185696_100000062450 [0,1,0,0,0,1|2,0,0]=4 960 B16R1.16698 CNC(=O)c1ccccc1NC(=O)N(C)C 2430a_100000185696_100102631434 [0,1,0,0,0,1|2,0,0]=4 961 B16R1.16698 CNC(=O)c1ccccc1NC(=O)[C@@H](C)O 22a_100000185696_100000717761 [0,1,0,0,0,1|2,0,0]=4 962 B16R1.16698 CNC(=O)c1ccccc1NC(=O)[C@H](C)O 1626a_100000185696_217856618621 [0,1,0,0,0,1|2,0,0]=4 963 B16R1.16698 CNC(=O)c1ccccc1NC(=O)[C@H](C)O 22a_100000185696_217856618621 [0,1,0,0,0,1|2,0,0]=4 964 B16R1.16698 COC(=O)c1ccccc1CC(=O)C(C)C 1458a_100000210198_100000744672 [0,1,0,0,0,1|1,0,0]=3 965 B16R1.16698 COC(=O)c1ccccc1CC(=O)C(C)C 1458a_100000695166_100000210206 [0,1,0,0,0,1|1,0,0]=3 966 B16R1.16698 COC(=O)c1ccccc1CC(=O)C(C)F 1458a_100000062450_100000744672 [0,1,0,0,0,1|1,0,0]=3 967 B16R1.16698 COC(=O)c1ccccc1CC(=O)C(O)O 1458a_100000233687_100000744672 [0,1,0,0,0,1|2,0,0]=4 968 B16R1.16698 COC(=O)c1ccccc1CC(=O)N(C)C 11a_100102631434_100000695166 [0,1,0,0,0,1|1,0,0]=3 969 B16R1.16698 COC(=O)c1ccccc1CC(=O)N(C)C 1626a_100102631434_100000695166 [0,1,0,0,0,1|1,0,0]=3 970 B16R1.16698 COC(=O)c1ccccc1CC(=O)N(C)C 240690a_100102631434_100000695166 [0,1,0,0,0,1|1,0,0]=3 971 B16R1.16698 COC(=O)c1ccccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000744672 [0,1,0,0,0,1|1,0,0]=3 972 B16R1.16698 COC(=O)c1ccccc1CC(=O)[C@H](C)O 1458a_217856618621_100000744672 [0,1,0,0,0,1|1,0,0]=3 973 B16R1.16698 COC(=O)c1cccnc1CC(=O)C(C)C 1458a_100000210198_100000709840 [0,1,0,0,0,1|2,0,0]=4 974 B16R1.16698 COC(=O)c1cccnc1CC(=O)C(C)F 1458a_100000062450_100000709840 [0,1,0,0,0,1|2,0,0]=4 975 B16R1.16698 COC(=O)c1cccnc1CC(=O)[C@@H](C)O 1458a_100000717761_100000709840 [0,1,0,0,0,1|2,0,0]=4 976 B16R1.16698 COC(=O)c1cccnc1CC(=O)[C@H](C)O 1458a_217856618621_100000709840 [0,1,0,0,0,1|2,0,0]=4 977 B16R1.16698 COC(=O)c1ncccc1CC(=O)C(C)C 1458a_100000210198_100010177730 [0,1,0,0,0,1|2,0,0]=4 978 B16R1.16698 COC(=O)c1ncccc1CC(=O)C(C)F 1458a_100000062450_100010177730 [0,1,0,0,0,1|2,0,0]=4 979 B16R1.16698 COC(=O)c1ncccc1CC(=O)[C@@H](C)O 1458a_100000717761_100010177730 [0,1,0,0,0,1|2,0,0]=4 980 B16R1.16698 COC(=O)c1ncccc1CC(=O)[C@H](C)O 1458a_217856618621_100010177730 [0,1,0,0,0,1|2,0,0]=4 981 B16R1.25336 C#CC(=O)Cc1c(cccc1C(=O)OC)Br 1458a_100000211873_100012352084 [0,1,0,0,0,1|1,0,1]=4 982 B16R1.25336 C#CC(=O)Cc1c(cccc1C(=O)OC)Cl 1458a_100000211873_100000725332 [0,1,0,0,0,1|1,0,1]=4 983 B16R1.25336 C#CC(=O)Cc1c(cccc1C(=O)OC)F 1458a_100000211873_100010239718 [0,1,0,0,0,1|1,0,1]=4 984 B16R1.25336 C#CC(=O)Cc1c(cccc1C(=O)OC)I 1458a_100000211873_100011003723 [0,1,0,0,0,1|1,0,1]=4 985 B16R1.25336 C=CC(=O)Cc1c(cccc1C(=O)OC)Br 1458a_100000185746_100012352084 [0,1,0,0,0,1|1,0,1]=4 986 B16R1.25336 C=CC(=O)Cc1c(cccc1C(=O)OC)Cl 1458a_100000185746_100000725332 [0,1,0,0,0,1|1,0,1]=4 987 B16R1.25336 C=CC(=O)Cc1c(cccc1C(=O)OC)F 1458a_100000185746_100010239718 [0,1,0,0,0,1|1,0,1]=4 988 B16R1.25336 C=CC(=O)Cc1c(cccc1C(=O)OC)I 1458a_100000185746_100011003723 [0,1,0,0,0,1|1,0,1]=4 989 B16R1.25336 CCC(=O)Cc1c(cccc1C(=O)OC)Br 1458a_100000210414_100012352084 [0,1,0,0,0,1|1,0,0]=3 990 B16R1.25336 CCC(=O)Cc1c(cccc1C(=O)OC)Cl 1458a_100000210414_100000725332 [0,1,0,0,0,1|1,0,0]=3 991 B16R1.25336 CCC(=O)Cc1c(cccc1C(=O)OC)F 1458a_100000210414_100010239718 [0,1,0,0,0,1|1,0,0]=3 992 B16R1.25336 CCC(=O)Cc1c(cccc1C(=O)OC)I 1458a_100000210414_100011003723 [0,1,0,0,0,1|1,0,0]=3 993 B16R1.25336 CCC(=O)Nc1c(cccc1C(=O)NC)C 11a_100000223168_100000210414 [0,1,0,0,0,1|2,0,0]=4 994 B16R1.25336 CCC(=O)Nc1c(cccc1C(=O)NC)C 1626a_100000223168_100000210414 [0,1,0,0,0,1|2,0,0]=4 995 B16R1.25336 CCC(=O)Nc1c(cccc1C(=O)NC)Cl 1626a_200012181065_100000210414 [0,1,0,0,0,1|2,0,0]=4 996 B16R1.25336 CCC(=O)Nc1c(cccc1C(=O)OC)C 188690a_100000741038_100000210414 [0,1,0,0,0,1|1,0,0]=3 997 B16R1.25336 CNC(=O)Nc1c(cccc1C(=O)NC)C 2430a_100000223168_100102657272 [0,1,0,0,0,1|2,0,0]=4 998 B16R1.25336 COC(=O)c1cccc(c1CC(=O)CO)Br 1458a_100000210174_100012352084 [0,1,0,0,0,1|2,0,0]=4 999 B16R1.25336 COC(=O)c1cccc(c1CC(=O)CO)Cl 1458a_100000210174_100000725332 [0,1,0,0,0,1|2,0,0]=4 1000 B16R1.25336 COC(=O)c1cccc(c1CC(=O)CO)F 1458a_100000210174_100010239718 [0,1,0,0,0,1|2,0,0]=4 1001 B16R1.25336 COC(=O)c1cccc(c1CC(=O)CO)I 1458a_100000210174_100011003723 [0,1,0,0,0,1|2,0,0]=4 1002 B16R1.25336 COC(=O)c1cccc(c1NC(=O)CO)C 188690a_100000741038_100000210174 [0,1,0,0,0,1|2,0,0]=4 1003 B16R1.25336 COC(=O)c1cccc(c1SC(C)OC)Br 62a_100009879195_100010150843 [0,1,0,0,0,1|1,0,1]=4 1004 B16R1.25336 COC(=O)c1cccc(c1SC(C)OC)Br 62a_100010150843_100009879195 [0,1,0,0,0,1|1,0,1]=4 1005 B16R1.25336 COC(=O)c1cccc(c1SC(C)OC)C 62a_100009879195_100012002529 [0,1,0,0,0,1|1,0,1]=4 1006 B16R1.25336 COC(=O)c1cccc(c1SC(C)OC)C 62a_100012002529_100009879195 [0,1,0,0,0,1|1,0,1]=4 1007 B16R1.25336 COC(=O)c1cccc(c1SC(C)OC)F 62a_100009879195_100012357630 [0,1,0,0,0,1|1,0,1]=4 1008 B16R1.25336 COC(=O)c1cccc(c1SC(C)OC)F 62a_100012357630_100009879195 [0,1,0,0,0,1|1,0,1]=4 1009 B16R1.25336 COC(=O)c1cccc(c1SC(C)OC)N 62a_100000719424_100009879195 [0,1,0,0,0,1|1,0,1]=4 1010 B16R1.25336 COC(=O)c1cccc(c1SC(C)OC)O 62a_100009879195_200010230364 [0,1,0,0,0,1|1,0,1]=4 1011 B16R1.25336 COC(=O)c1cccc(c1SC(C)OC)O 62a_200010230364_100009879195 [0,1,0,0,0,1|1,0,1]=4 1012 B16R1.74497 C#CC(=O)Cc1cc(ccc1C(=O)OC)Br 1458a_100000211873_100000693193 [0,1,0,0,0,1|1,0,1]=4 1013 B16R1.74497 C#CC(=O)Cc1cc(ccc1C(=O)OC)Cl 1458a_100000211873_100010239717 [0,1,0,0,0,1|1,0,1]=4 1014 B16R1.74497 C#CC(=O)Cc1cc(ccc1C(=O)OC)F 1458a_100000211873_100000700702 [0,1,0,0,0,1|1,0,1]=4 1015 B16R1.74497 C=CC(=O)Cc1cc(ccc1C(=O)OC)Br 1458a_100000185746_100000693193 [0,1,0,0,0,1|1,0,1]=4 1016 B16R1.74497 C=CC(=O)Cc1cc(ccc1C(=O)OC)Cl 1458a_100000185746_100010239717 [0,1,0,0,0,1|1,0,1]=4 1017 B16R1.74497 C=CC(=O)Cc1cc(ccc1C(=O)OC)F 1458a_100000185746_100000700702 [0,1,0,0,0,1|1,0,1]=4 1018 B16R1.74497 CCC(=O)Cc1cc(ccc1C(=O)OC)Br 1458a_100000210414_100000693193 [0,1,0,0,0,1|1,0,0]=3 1019 B16R1.74497 CCC(=O)Cc1cc(ccc1C(=O)OC)Cl 1458a_100000210414_100010239717 [0,1,0,0,0,1|1,0,0]=3 1020 B16R1.74497 CCC(=O)Cc1cc(ccc1C(=O)OC)F 1458a_100000210414_100000700702 [0,1,0,0,0,1|1,0,0]=3 1021 B16R1.74497 CCC(=O)Nc1cc(ccc1C(=O)CC)Cl 1458a_100000195379_100000210202 [0,1,0,0,0,1|2,0,0]=4 1022 B16R1.74497 CCC(=O)Nc1cc(ccc1C(=O)NC)Cl 11a_100000742614_100000210414 [0,1,0,0,0,1|2,0,0]=4 1023 B16R1.74497 CCC(=O)Nc1cc(ccc1C(=O)NC)Cl 1626a_100000742614_100000210414 [0,1,0,0,0,1|2,0,0]=4 1024 B16R1.74497 CCC(=O)Nc1cc(ccc1C(=O)NC)Cl 240690a_100102657272_100000195379 [0,1,0,0,0,1|2,0,0]=4 1025 B16R1.74497 CNC(=O)Nc1cc(ccc1C(=O)NC)Cl 2430a_100000742614_100102657272 [0,1,0,0,0,1|2,0,0]=4 1026 B16R1.74497 COC(=O)c1ccc(cc1CC(=O)CO)Br 1458a_100000210174_100000693193 [0,1,0,0,0,1|2,0,0]=4 1027 B16R1.74497 COC(=O)c1ccc(cc1CC(=O)CO)Cl 1458a_100000210174_100010239717 [0,1,0,0,0,1|2,0,0]=4 1028 B16R1.74497 COC(=O)c1ccc(cc1CC(=O)CO)F 1458a_100000210174_100000700702 [0,1,0,0,0,1|2,0,0]=4 1029 B16R1.74497 COC(=O)c1ccc(cc1SC(C)OC)Br 62a_100000701758_100009879195 [0,1,0,0,0,1|1,0,1]=4 1030 B16R1.74497 COC(=O)c1ccc(cc1SC(C)OC)C 62a_100009879195_100012340597 [0,1,0,0,0,1|1,0,1]=4 1031 B16R1.74497 COC(=O)c1ccc(cc1SC(C)OC)C 62a_100012340597_100009879195 [0,1,0,0,0,1|1,0,1]=4 1032 B16R1.74497 COC(=O)c1ccc(cc1SC(C)OC)Cl 62a_100000047510_100009879195 [0,1,0,0,0,1|1,0,1]=4 1033 B16R1.74497 COC(=O)c1ccc(cc1SC(C)OC)Cl 62a_100009879195_100000047510 [0,1,0,0,0,1|1,0,1]=4 1034 B16R1.74497 COC(=O)c1ccc(cc1SC(C)OC)F 62a_100000204356_100009879195 [0,1,0,0,0,1|1,0,1]=4 1035 B16R1.74497 COC(=O)c1ccc(cc1SC(C)OC)F 62a_100009879195_100000204356 [0,1,0,0,0,1|1,0,1]=4 1036 B16R1.74497 COC(=O)c1ccc(cc1SC(C)OC)N 62a_100009879195_100010150747 [0,1,0,0,0,1|1,0,1]=4 1037 B16R1.74497 COC(=O)c1ccc(cc1SC(C)OC)N 62a_100009998378_100009879195 [0,1,0,0,0,1|1,0,1]=4 1038 B16R1.74497 COC(=O)c1ccc(cc1SC(C)OC)O 62a_100009879195_100010150825 [0,1,0,0,0,1|1,0,1]=4 1039 B16R1.74497 COC(=O)c1ccc(cc1SC(C)OC)O 62a_100010150825_100009879195 [0,1,0,0,0,1|1,0,1]=4 1040 B16R1.78061 C#CC(=O)Cc1cccc(c1C(=O)OC)I 1458a_100000211873_200010272806 [0,1,0,0,0,1|1,0,1]=4 1041 B16R1.78061 C=CC(=O)Cc1cccc(c1C(=O)OC)I 1458a_100000185746_200010272806 [0,1,0,0,0,1|1,0,1]=4 1042 B16R1.78061 CCC(=O)Cc1cccc(c1C(=O)OC)I 1458a_100000210414_200010272806 [0,1,0,0,0,1|1,0,0]=3 1043 B16R1.78061 COC(=O)c1c(cccc1CC(=O)CO)I 1458a_100000210174_200010272806 [0,1,0,0,0,1|2,0,0]=4 1044 B16R1.78061 COC(=O)c1c(cccc1SC(C)OC)Br 62a_100009879195_100010247157 [0,1,0,0,0,1|1,0,1]=4 1045 B16R1.78061 COC(=O)c1c(cccc1SC(C)OC)Br 62a_100010247157_100009879195 [0,1,0,0,0,1|1,0,1]=4 1046 B16R1.78061 COC(=O)c1c(cccc1SC(C)OC)C 62a_100009879195_100010204206 [0,1,0,0,0,1|1,0,1]=4 1047 B16R1.78061 COC(=O)c1c(cccc1SC(C)OC)C 62a_100010204206_100009879195 [0,1,0,0,0,1|1,0,1]=4 1048 B16R1.78061 COC(=O)c1c(cccc1SC(C)OC)Cl 62a_100009879195_100010150959 [0,1,0,0,0,1|1,0,1]=4 1049 B16R1.78061 COC(=O)c1c(cccc1SC(C)OC)Cl 62a_100010150959_100009879195 [0,1,0,0,0,1|1,0,1]=4 1050 B16R1.78061 COC(=O)c1c(cccc1SC(C)OC)F 62a_100000150693_100009879195 [0,1,0,0,0,1|1,0,1]=4 1051 B16R1.78061 COC(=O)c1c(cccc1SC(C)OC)F 62a_100009879195_100000150693 [0,1,0,0,0,1|1,0,1]=4 1052 B16R1.78061 COC(=O)c1c(cccc1SC(C)OC)N 62a_100010253892_100009879195 [0,1,0,0,0,1|1,0,1]=4 1053 B16R1.78073 C#CC(=O)Cc1ccc(cc1C(=O)OC)Br 1458a_100000211873_100000728005 [0,1,0,0,0,1|1,0,1]=4 1054 B16R1.78073 C#CC(=O)Cc1ccc(cc1C(=O)OC)Cl 1458a_100000211873_100012352085 [0,1,0,0,0,1|1,0,1]=4 1055 B16R1.78073 C#CC(=O)Cc1ccc(cc1C(=O)OC)F 1458a_100000211873_100000751459 [0,1,0,0,0,1|1,0,1]=4 1056 B16R1.78073 C#CC(=O)Cc1ccc(cc1C(=O)OC)I 1458a_100000211873_100011096949 [0,1,0,0,0,1|1,0,1]=4 1057 B16R1.78073 C=CC(=O)Cc1ccc(cc1C(=O)OC)Br 1458a_100000185746_100000728005 [0,1,0,0,0,1|1,0,1]=4 1058 B16R1.78073 C=CC(=O)Cc1ccc(cc1C(=O)OC)Cl 1458a_100000185746_100012352085 [0,1,0,0,0,1|1,0,1]=4 1059 B16R1.78073 C=CC(=O)Cc1ccc(cc1C(=O)OC)F 1458a_100000185746_100000751459 [0,1,0,0,0,1|1,0,1]=4 1060 B16R1.78073 C=CC(=O)Cc1ccc(cc1C(=O)OC)I 1458a_100000185746_100011096949 [0,1,0,0,0,1|1,0,1]=4 1061 B16R1.78073 CCC(=O)Cc1ccc(cc1C(=O)OC)Br 1458a_100000210414_100000728005 [0,1,0,0,0,1|1,0,0]=3 1062 B16R1.78073 CCC(=O)Cc1ccc(cc1C(=O)OC)Cl 1458a_100000210414_100012352085 [0,1,0,0,0,1|1,0,0]=3 1063 B16R1.78073 CCC(=O)Cc1ccc(cc1C(=O)OC)F 1458a_100000210414_100000751459 [0,1,0,0,0,1|1,0,0]=3 1064 B16R1.78073 CCC(=O)Cc1ccc(cc1C(=O)OC)I 1458a_100000210414_100011096949 [0,1,0,0,0,1|1,0,0]=3 1065 B16R1.78073 CCC(=O)Nc1ccc(cc1C(=O)NC)Br 11a_100000690504_100000210414 [0,1,0,0,0,1|2,0,0]=4 1066 B16R1.78073 CCC(=O)Nc1ccc(cc1C(=O)NC)Br 1626a_100000690504_100000210414 [0,1,0,0,0,1|2,0,0]=4 1067 B16R1.78073 CCC(=O)Nc1ccc(cc1C(=O)NC)Cl 11a_100000739363_100000210414 [0,1,0,0,0,1|2,0,0]=4 1068 B16R1.78073 CCC(=O)Nc1ccc(cc1C(=O)NC)Cl 1626a_100000739363_100000210414 [0,1,0,0,0,1|2,0,0]=4 1069 B16R1.78073 CCC(=O)Nc1ccc(cc1C(=O)NC)Cl 22a_100000739363_100000210414 [0,1,0,0,0,1|2,0,0]=4 1070 B16R1.78073 COC(=O)c1cc(ccc1CC(=O)CO)Br 1458a_100000210174_100000728005 [0,1,0,0,0,1|2,0,0]=4 1071 B16R1.78073 COC(=O)c1cc(ccc1CC(=O)CO)Cl 1458a_100000210174_100012352085 [0,1,0,0,0,1|2,0,0]=4 1072 B16R1.78073 COC(=O)c1cc(ccc1CC(=O)CO)F 1458a_100000210174_100000751459 [0,1,0,0,0,1|2,0,0]=4 1073 B16R1.78073 COC(=O)c1cc(ccc1CC(=O)CO)I 1458a_100000210174_100011096949 [0,1,0,0,0,1|2,0,0]=4 1074 B16R1.78073 COC(=O)c1cc(ccc1SC(C)OC)Br 62a_100000148213_100009879195 [0,1,0,0,0,1|1,0,1]=4 1075 B16R1.78073 COC(=O)c1cc(ccc1SC(C)OC)Br 62a_100009879195_100000148213 [0,1,0,0,0,1|1,0,1]=4 1076 B16R1.78073 COC(=O)c1cc(ccc1SC(C)OC)C 62a_100009879195_100012339458 [0,1,0,0,0,1|1,0,1]=4 1077 B16R1.78073 COC(=O)c1cc(ccc1SC(C)OC)C 62a_100012339458_100009879195 [0,1,0,0,0,1|1,0,1]=4 1078 B16R1.78073 COC(=O)c1cc(ccc1SC(C)OC)Cl 62a_100009879195_100011294804 [0,1,0,0,0,1|1,0,1]=4 1079 B16R1.78073 COC(=O)c1cc(ccc1SC(C)OC)Cl 62a_100011294804_100009879195 [0,1,0,0,0,1|1,0,1]=4 1080 B16R1.78073 COC(=O)c1cc(ccc1SC(C)OC)F 62a_100000205820_100009879195 [0,1,0,0,0,1|1,0,1]=4 1081 B16R1.78073 COC(=O)c1cc(ccc1SC(C)OC)F 62a_100009879195_100000205820 [0,1,0,0,0,1|1,0,1]=4 1082 B16R1.78073 COC(=O)c1cc(ccc1SC(C)OC)N 62a_100000696289_100009879195 [0,1,0,0,0,1|1,0,1]=4 1083 B16R1.78073 COC(=O)c1cc(ccc1SC(C)OC)N 62a_100009879195_100011794239 [0,1,0,0,0,1|1,0,1]=4 1084 B16R1.78073 COC(=O)c1cc(ccc1SC(C)OC)O 62a_100009879195_100010230369 [0,1,0,0,0,1|1,0,1]=4 1085 B16R1.78073 COC(=O)c1cc(ccc1SC(C)OC)O 62a_100010230369_100009879195 [0,1,0,0,0,1|1,0,1]=4 1086 B16R1.958 CCCC(=O)c1ccccc1C(=O)N(C)C 1458a_200000753992_100000210303 [0,2,0,0,0,0|2,0,0]=4 1087 B16R1.958 CCNC(=O)c1ccccc1C(=O)N(C)C 240690a_100015525214_200000753992 [0,2,0,0,0,0|2,0,0]=4 1088 B16R1.958 CCOC(=O)c1ccccc1C(=C(C)C)C 271570a_200000049429_100000169879 [0,2,0,0,0,0|2,0,0]=4 1089 B16R1.958 CN(C)C(=O)c1ccccc1C(=O)CCF 1458a_200000753992_100011217306 [0,2,0,0,0,0|2,0,0]=4 1090 B16R1.958 CN(C)C(=O)c1ccccc1C(=O)CCO 1458a_200000753992_100000211926 [0,2,0,0,0,0|2,0,0]=4 1091 B16R1.958 CNNC(=O)c1ccccc1C(=O)N(C)C 22a_100016993582_200000753992 [0,2,0,0,0,0|2,0,0]=4 1092 B16R1.1500 C#CCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000753159 [0,2,0,0,0,0|1,0,0]=3 1093 B16R1.1500 C#CCNC(=O)c1ccccc1C(=O)OC 1626a_100000212058_100011215673 [0,2,0,0,0,0|1,0,0]=3 1094 B16R1.1500 C#CCNC(=O)c1ccccc1C(=O)OC 240690a_100000212058_100011215673 [0,2,0,0,0,0|1,0,0]=3 1095 B16R1.1500 C/C=C/CC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100102629194 [0,2,0,0,0,0|1,0,0]=3 1096 B16R1.1500 C=CCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000754431 [0,2,0,0,0,0|1,0,0]=3 1097 B16R1.1500 C=CCNC(=O)c1ccccc1C(=O)OC 1626a_100020586998_100011215673 [0,2,0,0,0,0|1,0,0]=3 1098 B16R1.1500 C=CCNC(=O)c1ccccc1C(=O)OC 240690a_100020586998_100011215673 [0,2,0,0,0,0|1,0,0]=3 1099 B16R1.1500 CC#CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000748600 [0,2,0,0,0,0|1,0,0]=3 1100 B16R1.1500 CC=CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000070051 [0,2,0,0,0,0|1,0,0]=3 1101 B16R1.1500 CCCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210211 [0,2,0,0,0,0|1,0,0]=3 1102 B16R1.1500 CCCNC(=O)c1ccccc1C(=O)OC 1626a_100020643023_100011215673 [0,2,0,0,0,0|1,0,0]=3 1103 B16R1.1500 CCCNC(=O)c1ccccc1C(=O)OC 240690a_100020643023_100011215673 [0,2,0,0,0,0|1,0,0]=3 1104 B16R1.1500 CCNN=C(C)c1ccccc1C(=O)OC 4a_100000756455_100010269922 [0,2,0,0,0,0|2,0,0]=4 1105 B16R1.1500 CCNNC(=O)c1ccccc1C(=O)OC 22a_100000756455_100011215673 [0,2,0,0,0,0|1,0,0]=3 1106 B16R1.1500 CCOCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000739092 [0,2,0,0,0,0|2,0,0]=4 1107 B16R1.1500 COC(=O)c1ccccc1C(=O)CCC#N 1458a_100011215673_100011215226 [0,2,0,0,0,0|1,0,0]=3 1108 B16R1.1500 COC(=O)c1ccccc1C(=O)CCCF 1458a_100011215673_100011934791 [0,2,0,0,0,0|1,0,0]=3 1109 B16R1.1500 COC(=O)c1ccccc1C(=O)CCCO 1458a_100011215673_100011215043 [0,2,0,0,0,0|1,0,0]=3 1110 B16R1.1500 COC(=O)c1ccccc1C(=O)CCSC 1458a_100011215673_100000751147 [0,2,0,0,0,0|0,1,0]=3 1111 B16R1.1500 COC(=O)c1ccccc1C(=O)NCC#N 1626a_100000734998_100011215673 [0,2,0,0,0,0|1,0,0]=3 1112 B16R1.1500 COC(=O)c1ccccc1C(=O)NCCF 1626a_100000724931_100011215673 [0,2,0,0,0,0|1,0,0]=3 1113 B16R1.1500 COC(=O)c1ccccc1C(=O)NCCF 240690a_100000724931_100011215673 [0,2,0,0,0,0|1,0,0]=3 1114 B16R1.1500 COC(=O)c1ccccc1C(=O)NCCO 240690a_100000210304_100011215673 [0,2,0,0,0,0|1,0,0]=3 1115 B16R1.1500 COCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000233755 [0,2,0,0,0,0|0,0,0]=2 1116 B16R1.1500 COCCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000233755 [0,2,0,0,0,0|2,0,0]=4 1117 B16R1.1500 COCCN(C)c1ccccc1C(=O)OC 34a_100000170468_100011201679 [0,2,0,0,0,0|2,0,0]=4 1118 B16R1.3994 CCNS(=O)(=O)c1ccccc1C(=O)OC 270084a_100015525214_100000182957 [0,2,0,0,0,0|2,0,0]=4 1119 B16R1.3994 CCNS(=O)(=O)c1ccccc1C(=O)OC 274078a_100015525214_100000182957 [0,2,0,0,0,0|2,0,0]=4 1120 B16R1.3994 CCNS(=O)(=O)c1ccccc1C(=O)OC 40a_100015525214_200015196601 [0,2,0,0,0,0|2,0,0]=4 1121 B16R1.3994 CNNS(=O)(=O)c1ccccc1C(=O)OC 40a_100016993582_200015196601 [0,2,0,0,0,0|2,0,0]=4 1122 B16R1.14964 CCOC(=O)c1ccccc1N(C)COC 2230a_100160572725_100000766300 [0,2,0,0,0,0|2,0,0]=4 1123 B16R1.14964 CCOC(=O)c1ccccc1N(C)COC 269982a_100160572725_100000766300 [0,2,0,0,0,0|2,0,0]=4 1124 B16R1.15042 C#CCC(=O)c1cc(ccc1C(=O)OC)F 1458a_200010710419_100000184674 [0,2,0,0,0,0|1,0,1]=4 1125 B16R1.15042 C=CCC(=O)c1cc(ccc1C(=O)OC)F 1458a_200010710419_100000210623 [0,2,0,0,0,0|1,0,1]=4 1126 B16R1.15042 CCCC(=O)c1cc(ccc1C(=O)OC)F 1458a_200010710419_100000210303 [0,2,0,0,0,0|1,0,0]=3 1127 B16R1.15042 CCNC(=O)c1cc(ccc1C(=O)OC)F 240690a_100015525214_200010710419 [0,2,0,0,0,0|1,0,0]=3 1128 B16R1.15042 CNNC(=O)c1cc(ccc1C(=O)OC)F 22a_100016993582_200010710419 [0,2,0,0,0,0|1,0,0]=3 1129 B16R1.15042 COC(=O)c1ccc(cc1C(=O)CC#N)F 1458a_200010710419_100011214920 [0,2,0,0,0,0|1,0,1]=4 1130 B16R1.15042 COC(=O)c1ccc(cc1C(=O)CCF)F 1458a_200010710419_100011217306 [0,2,0,0,0,0|1,0,0]=3 1131 B16R1.15042 COC(=O)c1ccc(cc1C(=O)CCO)F 1458a_200010710419_100000211926 [0,2,0,0,0,0|1,0,0]=3 1132 B16R1.15042 COCN(C)c1cc(ccc1C(=O)OC)Br 269982a_200160487225_100000766300 [0,2,0,0,0,0|2,0,0]=4 1133 B16R1.15445 C#CCC(=O)c1c(cccc1C(=O)OC)Br 1458a_100010710481_100000184674 [0,2,0,0,0,0|1,0,1]=4 1134 B16R1.15445 C=CCC(=O)c1c(cccc1C(=O)OC)Br 1458a_100010710481_100000210623 [0,2,0,0,0,0|1,0,1]=4 1135 B16R1.15445 CCCC(=O)c1c(cccc1C(=O)OC)Br 1458a_100010710481_100000210303 [0,2,0,0,0,0|1,0,0]=3 1136 B16R1.15445 CCNC(=O)c1c(cccc1C(=O)OC)Br 240690a_100015525214_100010710481 [0,2,0,0,0,0|1,0,0]=3 1137 B16R1.15445 CCNC(=O)c1c(cccc1C(=O)OC)Br 527a_100015525214_100010710481 [0,2,0,0,0,0|1,0,0]=3 1138 B16R1.15445 COC(=O)c1cccc(c1C(=O)CC#N)Br 1458a_100010710481_100011214920 [0,2,0,0,0,0|1,0,1]=4 1139 B16R1.15445 COC(=O)c1cccc(c1C(=O)CCF)Br 1458a_100010710481_100011217306 [0,2,0,0,0,0|1,0,0]=3 1140 B16R1.15445 COC(=O)c1cccc(c1C(=O)CCO)Br 1458a_100010710481_100000211926 [0,2,0,0,0,0|1,0,0]=3 1141 B16R1.16697 C=C(C)CC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000748629 [0,2,0,0,0,0|1,0,0]=3 1142 B16R1.16697 C=C(F)CC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100009893438 [0,2,0,0,0,0|1,0,1]=4 1143 B16R1.16697 COC(=O)c1ccccc1C(=O)CC(=O)N 1458a_100011215673_100000187820 [0,2,0,0,0,0|1,0,1]=4 1144 B16R1.16697 COC(=O)c1ccccc1C(=O)CC(=O)[O-] 1458a_100011215673_100020667443 [0,2,0,0,0,0|1,0,1]=4 1145 B16R1.16697 COC(=O)c1ccccc1C(=O)CC(C)C 1458a_100011215673_100000210624 [0,2,0,0,0,0|1,0,0]=3 1146 B16R1.16697 COC(=O)c1ccccc1C(=O)CC(C)O 1458a_100011215673_100011218427 [0,2,0,0,0,0|1,0,0]=3 1147 B16R1.16697 COC(=O)c1ccccc1C(=O)CC(F)F 1458a_100011215673_100011934356 [0,2,0,0,0,0|1,0,0]=3 1148 B16R1.16697 COC(=O)c1ccccc1C(=O)C[N+](=O)[O-] 1458a_100011215673_100000761209 [0,2,0,0,0,0|2,0,0]=4 1149 B16R1.16697 COC(=O)c1ccccc1C(=O)NC(C)C 1626a_100138425928_100011215673 [0,2,0,0,0,0|1,0,0]=3 1150 B16R1.16697 COC(=O)c1ccccc1C(=O)NC(C)C 240690a_100138425928_100011215673 [0,2,0,0,0,0|1,0,0]=3 1151 B16R1.69065 COCN(C)c1cccc(c1C(=O)OC)Cl 269982a_200010565112_100000766300 [0,2,0,0,0,0|2,0,0]=4 1152 B16R1.69083 COCN(C)c1ccc(cc1C(=O)OC)Br 269982a_200000216482_100000766300 [0,2,0,0,0,0|2,0,0]=4 1153 B16R1.69083 COCN(C)c1ccc(cc1C(=O)OC)Cl 269982a_100000216484_100000766300 [0,2,0,0,0,0|2,0,0]=4 1154 B16R1.69083 COCN(C)c1ccc(cc1C(=O)OC)F 269982a_100011806480_100000766300 [0,2,0,0,0,0|2,0,0]=4 1155 B16R1.4138 CC(C)C(=O)c1ccccc1C(=O)N(C)C 1458a_200000753992_100000210206 [0,2,0,0,0,0|2,0,0]=4 1156 B16R1.4138 CN(C)C(=O)c1ccccc1C(=O)N(C)C 240690a_100102631434_200000753992 [0,2,0,0,0,0|2,0,0]=4 1157 B16R1.16776 COC(=O)c1cc(ccc1C(=C(C)C)C)Br 271570a_200000049429_100000148213 [0,2,0,0,0,0|2,0,0]=4 1158 B16R1.16776 COC(=O)c1cc(ccc1C(=C(C)C)C)C 271570a_200000049429_100012339458 [0,2,0,0,0,0|2,0,0]=4 1159 B16R1.16776 COC(=O)c1cc(ccc1C(=C(C)C)C)Cl 271570a_200000049429_100011294804 [0,2,0,0,0,0|2,0,0]=4 1160 B16R1.16776 COC(=O)c1cc(ccc1C(=C(C)C)C)F 271570a_200000049429_100000205820 [0,2,0,0,0,0|2,0,0]=4 1161 B16R1.16776 COC(=O)c1cc(ccc1C(=C(C)C)C)N 271570a_200000049429_100000696289 [0,2,0,0,0,0|2,0,0]=4 1162 B16R1.16776 COC(=O)c1cc(ccc1C(=C(C)C)C)O 271570a_200000049429_100010230369 [0,2,0,0,0,0|2,0,0]=4 1163 B16R1.17237 COC(=O)c1ccccc1C(=O)C(F)(F)F 1458a_100011215673_200000243211 [0,2,0,0,0,0|2,0,0]=4 1164 B16R1.17269 COC(=O)c1c(cccc1C(=C(C)C)C)Br 271570a_200000049429_100010247157 [0,2,0,0,0,0|2,0,0]=4 1165 B16R1.17269 COC(=O)c1c(cccc1C(=C(C)C)C)C 271570a_200000049429_100010204206 [0,2,0,0,0,0|2,0,0]=4 1166 B16R1.17269 COC(=O)c1c(cccc1C(=C(C)C)C)Cl 271570a_200000049429_100010150959 [0,2,0,0,0,0|2,0,0]=4 1167 B16R1.17269 COC(=O)c1c(cccc1C(=C(C)C)C)F 271570a_200000049429_100000150693 [0,2,0,0,0,0|2,0,0]=4 1168 B16R1.17269 COC(=O)c1c(cccc1C(=C(C)C)C)N 271570a_200000049429_100010253892 [0,2,0,0,0,0|2,0,0]=4 1169 B16R1.17282 COC(=O)c1ccccc1S(=O)(=O)N(C)C 270084a_100102631434_100000182957 [0,2,0,0,0,0|2,0,0]=4 1170 B16R1.17282 COC(=O)c1ccccc1S(=O)(=O)N(C)C 274078a_100102631434_100000182957 [0,2,0,0,0,0|2,0,0]=4 1171 B16R1.17282 COC(=O)c1ccccc1S(=O)(=O)N(C)C 40a_100102631434_200015196601 [0,2,0,0,0,0|2,0,0]=4 1172 B16R1.74191 COC(=O)c1cccc(c1C(=C(C)C)C)Br 271570a_200000049429_100010150843 [0,2,0,0,0,0|2,0,0]=4 1173 B16R1.74191 COC(=O)c1cccc(c1C(=C(C)C)C)C 271570a_200000049429_100012002529 [0,2,0,0,0,0|2,0,0]=4 1174 B16R1.74191 COC(=O)c1cccc(c1C(=C(C)C)C)F 271570a_200000049429_100012357630 [0,2,0,0,0,0|2,0,0]=4 1175 B16R1.74191 COC(=O)c1cccc(c1C(=C(C)C)C)N 271570a_200000049429_100000719424 [0,2,0,0,0,0|2,0,0]=4 1176 B16R1.74191 COC(=O)c1cccc(c1C(=C(C)C)C)O 271570a_200000049429_200010230364 [0,2,0,0,0,0|2,0,0]=4 1177 B16R1.74191 COC(=O)c1cccc(c1C(=O)C(C)C)Br 1458a_100010710481_100000210206 [0,2,0,0,0,0|1,0,0]=3 1178 B16R1.74191 COC(=O)c1cccc(c1C(=O)N(C)C)Br 1626a_100102631434_100010710481 [0,2,0,0,0,0|1,0,0]=3 1179 B16R1.74191 COC(=O)c1cccc(c1C(=O)N(C)C)Br 240690a_100102631434_100010710481 [0,2,0,0,0,0|1,0,0]=3 1180 B16R1.74191 COC(=O)c1cccc(c1C(=O)N(C)C)Br 527a_100102631434_100010710481 [0,2,0,0,0,0|1,0,0]=3 1181 B16R1.74210 COC(=O)c1ccc(cc1C(=C(C)C)C)Br 271570a_200000049429_100000701758 [0,2,0,0,0,0|2,0,0]=4 1182 B16R1.74210 COC(=O)c1ccc(cc1C(=C(C)C)C)C 271570a_200000049429_100012340597 [0,2,0,0,0,0|2,0,0]=4 1183 B16R1.74210 COC(=O)c1ccc(cc1C(=C(C)C)C)Cl 271570a_200000049429_100000047510 [0,2,0,0,0,0|2,0,0]=4 1184 B16R1.74210 COC(=O)c1ccc(cc1C(=C(C)C)C)F 271570a_200000049429_100000204356 [0,2,0,0,0,0|2,0,0]=4 1185 B16R1.74210 COC(=O)c1ccc(cc1C(=C(C)C)C)N 271570a_200000049429_100009998378 [0,2,0,0,0,0|2,0,0]=4 1186 B16R1.74210 COC(=O)c1ccc(cc1C(=C(C)C)C)O 271570a_200000049429_100010150825 [0,2,0,0,0,0|2,0,0]=4 1187 B16R1.74210 COC(=O)c1ccc(cc1C(=O)C(C)C)F 1458a_200010710419_100000210206 [0,2,0,0,0,0|1,0,0]=3 1188 B16R1.74210 COC(=O)c1ccc(cc1C(=O)N(C)C)F 1626a_100102631434_200010710419 [0,2,0,0,0,0|1,0,0]=3 1189 B16R1.74210 COC(=O)c1ccc(cc1C(=O)N(C)C)F 240690a_100102631434_200010710419 [0,2,0,0,0,0|1,0,0]=3 1190 B16R1.16774 CNS(=O)(=O)c1ccc(cc1C(=O)OC)Br 270084a_100102657272_100000184582 [0,2,0,0,0,0|2,0,0]=4 1191 B16R1.16774 CNS(=O)(=O)c1ccc(cc1C(=O)OC)Br 274078a_100102657272_100000184582 [0,2,0,0,0,0|2,0,0]=4 1192 B16R1.16774 CNS(=O)(=O)c1ccc(cc1C(=O)OC)C 270084a_100102657272_200000692716 [0,2,0,0,0,0|2,0,0]=4 1193 B16R1.16774 CNS(=O)(=O)c1ccc(cc1C(=O)OC)C 274078a_100102657272_200000692716 [0,2,0,0,0,0|2,0,0]=4 1194 B16R1.76401 CNS(=O)(=O)c1cc(ccc1C(=O)OC)Cl 270084a_100102657272_100000737107 [0,2,0,0,0,0|2,0,0]=4 1195 B16R1.76401 CNS(=O)(=O)c1cc(ccc1C(=O)OC)Cl 274078a_100102657272_100000737107 [0,2,0,0,0,0|2,0,0]=4 1196 B16R1.76401 CNS(=O)(=O)c1cc(ccc1C(=O)OC)F 270084a_100102657272_100000750471 [0,2,0,0,0,0|2,0,0]=4 1197 B16R1.76401 CNS(=O)(=O)c1cc(ccc1C(=O)OC)F 274078a_100102657272_100000750471 [0,2,0,0,0,0|2,0,0]=4 1198 B16R1.76756 CNS(=O)(=O)c1c(cccc1C(=O)OC)C 270084a_100102657272_100000051196 [0,2,0,0,0,0|2,0,0]=4 1199 B16R1.76756 CNS(=O)(=O)c1c(cccc1C(=O)OC)C 274078a_100102657272_100000051196 [0,2,0,0,0,0|2,0,0]=4 1200 B16R1.19820 C=Cc1cccc(c1C(=O)OC)C(=O)OC 271570a_100011290941_200010231110 [0,2,0,0,0,0|0,0,0]=2 1201 B16R1.19820 COC(=O)c1cccc(c1C(=O)OC)SC 62a_200010231110_200000210301 [0,2,0,0,0,0|0,0,0]=2 1202 B16R1.19820 COC(=O)c1cccc(c1C(=O)OC)S[13CH3] 62a_200010231110_200025704644 [0,2,0,0,0,0|0,0,0]=2 1203 B16R1.20152 C=Cc1ccc(c(c1)C(=O)OC)C(=O)OC 271570a_100011290941_100012352768 [0,2,0,0,0,0|0,0,0]=2 1204 B16R1.20152 C=Cc1ccc(c(n1)C(=O)OC)C(=O)OC 271570a_100011290941_100010138440 [0,2,0,0,0,0|1,0,0]=3 1205 B16R1.20152 C=Cc1cnc(c(c1)C(=O)OC)C(=O)OC 271570a_100011290941_100010218851 [0,2,0,0,0,0|1,0,0]=3 1206 B16R1.20152 COC(=O)c1cc(cnc1C(=O)OC)SC 62a_100010218851_200000210301 [0,2,0,0,0,0|1,0,0]=3 1207 B16R1.20152 COC(=O)c1cc(cnc1C(=O)OC)SC 62a_200000210301_100010218851 [0,2,0,0,0,0|1,0,0]=3 1208 B16R1.20152 COC(=O)c1cc(cnc1C(=O)OC)S[13CH3] 62a_100010218851_200025704644 [0,2,0,0,0,0|1,0,0]=3 1209 B16R1.20152 COC(=O)c1cc(cnc1C(=O)OC)S[13CH3] 62a_200025704644_100010218851 [0,2,0,0,0,0|1,0,0]=3 1210 B16R1.20152 COC(=O)c1ccc(cc1C(=O)OC)OC 34a_100009991906_200000210301 [0,2,0,0,0,0|0,0,0]=2 1211 B16R1.20152 COC(=O)c1ccc(cc1C(=O)OC)OC 7a_100009991906_200000210301 [0,2,0,0,0,0|0,0,0]=2 1212 B16R1.20152 COC(=O)c1ccc(cc1C(=O)OC)O[13CH3] 34a_100009991906_200025704644 [0,2,0,0,0,0|0,0,0]=2 1213 B16R1.20152 COC(=O)c1ccc(cc1C(=O)OC)O[13CH3] 7a_100009991906_200025704644 [0,2,0,0,0,0|0,0,0]=2 1214 B16R1.20152 COC(=O)c1ccc(cc1C(=O)OC)SC 62a_100012352768_200000210301 [0,2,0,0,0,0|0,0,0]=2 1215 B16R1.20152 COC(=O)c1ccc(cc1C(=O)OC)S[13CH3] 62a_100012352768_200025704644 [0,2,0,0,0,0|0,0,0]=2 1216 B14R1.77 COC(=O)/C=C/c1cccc(c1)OC 34a_200102525237_200000210301 [0,0,1,1,0,0|1,0,0]=3 1217 B14R1.77 COC(=O)/C=C/c1cccc(c1)OC 7a_200102525237_200000210301 [0,0,1,1,0,0|1,0,0]=3 1218 B14R1.77 COC(=O)/C=C/c1cccc(c1)O[13CH3] 34a_200102525237_200025704644 [0,0,1,1,0,0|1,0,0]=3 1219 B14R1.77 COC(=O)/C=C/c1cccc(c1)O[13CH3] 7a_200102525237_200025704644 [0,0,1,1,0,0|1,0,0]=3 1220 B14R1.77 COC(=O)/C=C/c1cccc(c1)SC 62a_100000149372_200000210301 [0,0,1,1,0,0|1,1,0]=4 1221 B14R1.77 COC(=O)/C=C/c1cccc(c1)SC 62a_200000210301_100000149372 [0,0,1,1,0,0|1,1,0]=4 1222 B14R1.77 COC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_100000149372_200025704644 [0,0,1,1,0,0|1,1,0]=4 1223 B14R1.77 COC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200025704644_100000149372 [0,0,1,1,0,0|1,1,0]=4 1224 B14R1.2171 C=Cc1c(cccc1C(=O)OC)CC 271570a_100011290941_200009992460 [0,0,1,1,0,0|2,0,0]=4 1225 B14R1.2171 C=Cc1c(cccc1C(=O)OC)OC 271570a_100011290941_100010189551 [0,0,1,1,0,0|1,0,0]=3 1226 B14R1.357 C=Cc1cc(cc(c1)C(=O)OC)OC 271570a_100011290941_200010233337 [0,0,1,1,0,0|1,0,0]=3 1227 B14R1.357 C=Cc1cc(cc(n1)C(=O)OC)OC 271570a_100011290941_100010161163 [0,0,1,1,0,0|2,0,0]=4 1228 B14R1.357 C=Cc1cc(cc(n1)OC)C(=O)OC 271570a_100011290941_100009994165 [0,0,1,1,0,0|1,0,0]=3 1229 B14R1.357 C=Cc1cc(nc(c1)C(=O)OC)OC 271570a_100011290941_100010136341 [0,0,1,1,0,0|2,0,0]=4 1230 B14R1.357 C=Cc1cc(nc(n1)OC)C(=O)OC 271570a_100011290941_100010894482 [0,0,1,1,0,0|2,0,0]=4 1231 B14R1.357 C=Cc1nc(cc(n1)C(=O)OC)OC 271570a_100011290941_200010218615 [0,0,1,1,0,0|2,0,0]=4 1232 B14R1.358 C=Cc1cc(cc(c1C)Cl)C(=O)OC 271570a_100011290941_100012360618 [0,0,1,1,0,0|2,0,0]=4 1233 B14R1.358 C=Cc1cc(cc(c1C)F)C(=O)OC 271570a_100011290941_100012920391 [0,0,1,1,0,0|2,0,0]=4 1234 B14R1.358 C=Cc1cc(cc(c1C)N)C(=O)OC 271570a_100011290941_100012353609 [0,0,1,1,0,0|2,0,0]=4 1235 B14R2.536 C=C=Cc1cccc2c1C(=O)OC2 271570a_100015277604_100010132333 [1,0,0,1,0,0|1,0,1]=4 1236 B14R2.536 CC=Cc1cccc2c1C(=O)CC2 271570a_100016259895_100009816781 [1,0,0,1,0,0|2,0,0]=4 1237 B14R2.536 CC=Cc1cccc2c1C(=O)NC2 271570a_100016259895_100000724024 [1,0,0,1,0,0|2,0,0]=4 1238 B14R2.536 CC=Cc1cccc2c1C(=O)OC2 271570a_100016259895_100010132333 [1,0,0,1,0,0|1,0,0]=3 1239 B14R2.536 CCSc1cccc2c1C(=O)OC2 62a_100010132333_100000210202 [1,0,0,1,0,0|2,0,0]=4 1240 B14R2.1131 COC1CCC(=O)c2c1cccc2 7a_100000100557_200000210301 [1,0,0,1,0,0|1,0,1]=4 1241 B14R2.1131 [13CH3]OC1CCC(=O)c2c1cccc2 7a_100000100557_200025704644 [1,0,0,1,0,0|1,0,1]=4 1242 B14R2.10655 COC(=O)c1ccccc1C2CC2 271570a_100011220607_100000148710 [1,0,0,1,0,0|1,0,1]=4 1243 B14R2.7724 Cn1cc(c2ccccc2c1=O)O 271570a_203496583355_100000239302 [1,0,0,1,0,0|2,0,0]=4 1244 B14R2.24350 C=C(C)c1cccc2c1C(=O)CC2 271570a_100000694244_100009816781 [1,0,0,1,0,0|2,0,0]=4 1245 B14R2.24350 C=C(C)c1cccc2c1C(=O)NC2 271570a_100000694244_100000724024 [1,0,0,1,0,0|2,0,0]=4 1246 B14R2.24350 C=C(C)c1cccc2c1C(=O)OC2 271570a_100000694244_100010132333 [1,0,0,1,0,0|1,0,0]=3 1247 B14R2.24350 CC(=O)c1cccc2c1C(=O)NC2 1458a_100000103835_200000210301 [1,0,0,1,0,0|1,0,0]=3 1248 B14R2.24350 [13CH3]C(=O)c1cccc2c1C(=O)NC2 1458a_100000103835_200025704644 [1,0,0,1,0,0|1,0,0]=3 1249 B16R2.1948 CNc1nc2c(cccc2s1)C(=O)OC 27a_100102657272_100010739869 [0,0,0,1,0,1|1,1,0]=4 1250 B16R2.33577 CCC(=O)Nc1cccc2c1C(=O)NC2 11a_100000026006_100000210414 [0,0,0,1,0,1|2,0,0]=4 1251 B16R2.33577 CCC(=O)Nc1cccc2c1C(=O)NC2 1626a_100000026006_100000210414 [0,0,0,1,0,1|2,0,0]=4 1252 B16R2.33577 CNC(=O)Nc1cccc2c1C(=O)NC2 512a_100000026006_100102657272 [0,0,0,1,0,1|2,0,0]=4 1253 B16R2.33577 COC(C)Sc1cccc2c1C(=O)OC2 62a_100010132333_100009879195 [0,0,0,1,0,1|1,0,1]=4 1254 B16R2.1160 CNC(=O)c1ccccc1C2=CCOC2 271570a_100009872500_100000155073 [0,1,0,1,0,0|2,0,0]=4 1255 B16R2.1160 CNC(=O)c1ccccc1C2=COCC2 271570a_100000118173_100000155073 [0,1,0,1,0,0|2,0,0]=4 1256 B16R2.1160 COC(=O)c1ccccc1C2=CCCC2 271570a_100000089523_100000148710 [0,1,0,1,0,0|2,0,0]=4 1257 B16R2.1160 COC(=O)c1ccccc1C2=CCOC2 271570a_100009872500_100000148710 [0,1,0,1,0,0|1,0,0]=3 1258 B16R2.1160 COC(=O)c1ccccc1C2=COCC2 271570a_100000118173_100000148710 [0,1,0,1,0,0|1,0,0]=3 1259 B16R2.1160 COC(=O)c1ccccc1c2ccco2 271570a_100000034818_100009814098 [0,1,0,1,0,0|1,0,1]=4 1260 B16R2.1160 COC(=O)c1ccccc1c2ccco2 271570a_100000750936_100000148710 [0,1,0,1,0,0|1,0,1]=4 1261 B16R2.1160 COC(=O)c1ccccc1c2ccoc2 271570a_100000034818_100011215275 [0,1,0,1,0,0|1,0,1]=4 1262 B16R2.1160 COC(=O)c1ccccc1c2ccoc2 271570a_100011218838_100000148710 [0,1,0,1,0,0|1,0,1]=4 1263 B16R2.1160 COC(=O)c1ccccc1c2cnco2 271570a_100000034818_100020591547 [0,1,0,1,0,0|1,0,1]=4 1264 B16R2.1160 COC(=O)c1ccccc1c2cnoc2 271570a_100000034818_100009815712 [0,1,0,1,0,0|2,0,0]=4 1265 B16R2.1160 COC(=O)c1ccccc1c2ncco2 271570a_100000034818_100011787736 [0,1,0,1,0,0|1,0,1]=4 1266 B16R2.1160 COC(=O)c1cccnc1C2=CCOC2 271570a_100009872500_100000150852 [0,1,0,1,0,0|2,0,0]=4 1267 B16R2.1160 COC(=O)c1cccnc1C2=COCC2 271570a_100000118173_100000150852 [0,1,0,1,0,0|2,0,0]=4 1268 B16R2.1160 COC(=O)c1ccncc1C2=CCOC2 271570a_100009872500_100010008606 [0,1,0,1,0,0|2,0,0]=4 1269 B16R2.1160 COC(=O)c1ccncc1C2=COCC2 271570a_100000118173_100010008606 [0,1,0,1,0,0|2,0,0]=4 1270 B16R2.1160 COC(=O)c1cnccc1C2=CCOC2 271570a_100009872500_100020629055 [0,1,0,1,0,0|2,0,0]=4 1271 B16R2.1160 COC(=O)c1cnccc1C2=COCC2 271570a_100000118173_100020629055 [0,1,0,1,0,0|2,0,0]=4 1272 B16R2.1160 COC(=O)c1ncccc1C2=CCOC2 271570a_100009872500_100011935214 [0,1,0,1,0,0|2,0,0]=4 1273 B16R2.1160 COC(=O)c1ncccc1C2=COCC2 271570a_100000118173_100011935214 [0,1,0,1,0,0|2,0,0]=4 1274 B16R2.29744 CCCC(=O)c1cccc2c1C(=O)NC2 1458a_100000103835_100000210303 [0,1,0,1,0,0|2,0,0]=4 1275 B16R2.29744 CCNC(=O)c1cccc2c1C(=O)NC2 11a_100015525214_100000103835 [0,1,0,1,0,0|2,0,0]=4 1276 B16R2.29744 CCNC(=O)c1cccc2c1C(=O)NC2 240690a_100015525214_100000103835 [0,1,0,1,0,0|2,0,0]=4 1277 B16R2.29744 CCNC(=O)c1cccc2c1C(=O)NC2 527a_100015525214_100000103835 [0,1,0,1,0,0|2,0,0]=4 1278 B16R2.29744 CNNC(=O)c1cccc2c1C(=O)NC2 22a_100016993582_100000103835 [0,1,0,1,0,0|2,0,0]=4 1279 B16R2.29744 O=C(CCF)c1cccc2c1C(=O)NC2 1458a_100000103835_100011217306 [0,1,0,1,0,0|2,0,0]=4 1280 B16R2.29744 O=C(CCO)c1cccc2c1C(=O)NC2 1458a_100000103835_100000211926 [0,1,0,1,0,0|2,0,0]=4 1281 B16R2.34080 C=C(c1ccccc1C(=O)OC)C2CC2 271570a_100010895485_100000148710 [0,1,0,1,0,0|2,0,0]=4 1282 B16R2.119700 CCOc1ccc(c2c1cccc2)OC 34a_100000032393_100000210202 [0,1,0,1,0,0|2,0,0]=4 1283 B16R2.119700 CCOc1ccc(c2c1cccc2)OC 7a_100000032393_100000210202 [0,1,0,1,0,0|2,0,0]=4 1284 B16R2.119700 COCc1ccc(c2c1cccc2)OC 34a_100000187647_200000210301 [0,1,0,1,0,0|2,0,0]=4 1285 B16R2.119700 COCc1ccc(c2c1cccc2)OC 7a_100000187647_200000210301 [0,1,0,1,0,0|2,0,0]=4 1286 B16R2.119700 COc1ccc(c2c1cccc2)CO[13CH3] 34a_100000187647_200025704644 [0,1,0,1,0,0|2,0,0]=4 1287 B16R2.119700 COc1ccc(c2c1cccc2)CO[13CH3] 7a_100000187647_200025704644 [0,1,0,1,0,0|2,0,0]=4 1288 B16R2.119700 COc1ccc(c2c1cccc2)OCF 34a_100000032393_100015361967 [0,1,0,1,0,0|2,0,0]=4 1289 B16R2.119700 COc1ccc(c2c1cccc2)OCF 7a_100000032393_100015361967 [0,1,0,1,0,0|2,0,0]=4 1290 B16R2.97895 CC(=C(C)c1cccc2c1C(=O)OC2)C 271570a_200000049429_100010132333 [0,1,0,1,0,0|2,0,0]=4 1291 B16R2.97895 CC(C)C(=O)c1cccc2c1C(=O)NC2 1458a_100000103835_100000210206 [0,1,0,1,0,0|2,0,0]=4 1292 B16R2.97895 CN(C)C(=O)c1cccc2c1C(=O)NC2 11a_100102631434_100000103835 [0,1,0,1,0,0|2,0,0]=4 1293 B16R2.97895 CN(C)C(=O)c1cccc2c1C(=O)NC2 1626a_100102631434_100000103835 [0,1,0,1,0,0|2,0,0]=4 1294 B16R2.97895 CN(C)C(=O)c1cccc2c1C(=O)NC2 240690a_100102631434_100000103835 [0,1,0,1,0,0|2,0,0]=4 1295 B16R2.97895 CN(C)C(=O)c1cccc2c1C(=O)NC2 527a_100102631434_100000103835 [0,1,0,1,0,0|2,0,0]=4 1296 B16R2.203344 COC(=O)c1cccc2c1c(n[nH]2)SC 62a_200000210301_100010186041 [0,1,0,1,0,0|1,1,0]=4 1297 B16R2.203344 COC(=O)c1cccc2c1c(n[nH]2)S[13CH3] 62a_200025704644_100010186041 [0,1,0,1,0,0|1,1,0]=4 1298 B12R1.291 CC=Cc1cc[nH]c1C(=O)OC 271570a_100016259895_100102525103 [1,0,0,0,1,0|2,0,0]=4 1299 B12R1.291 CC=Cc1ccoc1C(=O)OC 271570a_100016259895_100012676306 [1,0,0,0,1,0|2,0,0]=4 1300 B12R1.291 CC=Cc1ccsc1C(=O)OC 271570a_100016259895_100000730364 [1,0,0,0,1,0|2,0,0]=4 1301 B12R1.291 CC=Cc1cscc1C(=O)OC 271570a_100016259895_100012351140 [1,0,0,0,1,0|2,0,0]=4 1302 B12R1.291 CC=Cc1occc1C(=O)OC 271570a_100016259895_100011935261 [1,0,0,0,1,0|2,0,0]=4 1303 B12R1.291 CC=Cc1sccc1C(=O)OC 271570a_100016259895_100009822520 [1,0,0,0,1,0|2,0,0]=4 1304 B12R1.291 COCc1ccoc1C(=O)OC 34a_100138415774_100000734845 [1,0,0,0,1,0|1,0,1]=4 1305 B12R1.291 COCc1occc1C(=O)OC 34a_100138415774_100009813464 [1,0,0,0,1,0|1,0,1]=4 1306 B12R1.368 C=C(C)c1cc[nH]c1C(=O)OC 271570a_100000694244_100102525103 [1,0,0,0,1,0|2,0,0]=4 1307 B12R1.368 C=C(C)c1ccoc1C(=O)OC 271570a_100000694244_100012676306 [1,0,0,0,1,0|2,0,0]=4 1308 B12R1.368 C=C(C)c1ccsc1C(=O)OC 271570a_100000694244_100000730364 [1,0,0,0,1,0|2,0,0]=4 1309 B12R1.368 C=C(C)c1cscc1C(=O)OC 271570a_100000694244_100012351140 [1,0,0,0,1,0|2,0,0]=4 1310 B12R1.368 C=C(C)c1occc1C(=O)OC 271570a_100000694244_100011935261 [1,0,0,0,1,0|2,0,0]=4 1311 B12R1.368 C=C(C)c1sccc1C(=O)OC 271570a_100000694244_100009822520 [1,0,0,0,1,0|2,0,0]=4 1312 B14R0.197 COC(=O)/C=C/CSC/C=C/C(=O)OC 62a_100000742655_100000742655 [0,0,1,0,0,1|0,0,2]=4 1313 B14R1.483 C=C=Cc1ccccc1CC(=O)OC 271570a_100015277604_100000699816 [1,0,0,0,0,1|1,0,1]=4 1314 B14R1.483 C=C=Cc1ccccc1NC(=O)OC 271570a_100015277604_100000216184 [1,0,0,0,0,1|1,0,1]=4 1315 B14R1.483 CC=Cc1ccccc1CC(=O)NC 271570a_100016259895_200009816160 [1,0,0,0,0,1|2,0,0]=4 1316 B14R1.483 CC=Cc1ccccc1CC(=O)OC 271570a_100016259895_100000699816 [1,0,0,0,0,1|1,0,0]=3 1317 B14R1.483 CC=Cc1ccccc1NC(=O)CC 271570a_100016259895_100000153536 [1,0,0,0,0,1|2,0,0]=4 1318 B14R1.483 CC=Cc1ccccc1NC(=O)OC 271570a_100016259895_100000216184 [1,0,0,0,0,1|1,0,0]=3 1319 B14R1.483 CC=Cc1cccnc1CC(=O)OC 271570a_100016259895_100012347948 [1,0,0,0,0,1|2,0,0]=4 1320 B14R1.483 CC=Cc1ncccc1CC(=O)OC 271570a_100016259895_100010293180 [1,0,0,0,0,1|2,0,0]=4 1321 B14R1.483 CCOc1ccccc1CC(=O)OC 7a_100000758901_100000210202 [1,0,0,0,0,1|2,0,0]=4 1322 B14R1.483 CCSc1ccccc1CC(=O)OC 62a_100000210202_100000699816 [1,0,0,0,0,1|2,0,0]=4 1323 B14R1.483 CCSc1ccccc1CC(=O)OC 62a_100000699816_100000210202 [1,0,0,0,0,1|2,0,0]=4 1324 B14R1.483 CCSc1ccccc1NC(=O)OC 62a_100000210202_100000216184 [1,0,0,0,0,1|2,0,0]=4 1325 B14R1.483 CNCc1ccccc1CC(=O)OC 2230a_106832991635_100000094086 [1,0,0,0,0,1|1,0,1]=4 1326 B14R1.483 CNCc1ccccc1CC(=O)OC 34a_100102657272_100000094086 [1,0,0,0,0,1|1,0,1]=4 1327 B14R1.483 CNCc1ccccc1CC(=O)OC 7a_106832991635_100000094086 [1,0,0,0,0,1|1,0,1]=4 1328 B14R1.483 COC(=O)Cc1ccccc1CSC 62a_100000094086_200000210301 [1,0,0,0,0,1|0,1,1]=4 1329 B14R1.483 COC(=O)Cc1ccccc1CSC 62a_200000210301_100000094086 [1,0,0,0,0,1|0,1,1]=4 1330 B14R1.483 COC(=O)Cc1ccccc1CS[13CH3] 62a_100000094086_200025704644 [1,0,0,0,0,1|0,1,1]=4 1331 B14R1.483 COC(=O)Cc1ccccc1CS[13CH3] 62a_200025704644_100000094086 [1,0,0,0,0,1|0,1,1]=4 1332 B14R1.483 COCc1ccccc1CC(=O)OC 34a_100138415774_100000094086 [1,0,0,0,0,1|0,0,1]=3 1333 B14R1.3302 C=C(C)c1ccccc1CC(=O)NC 271570a_100000694244_200009816160 [1,0,0,0,0,1|2,0,0]=4 1334 B14R1.3302 C=C(C)c1ccccc1CC(=O)OC 271570a_100000694244_100000699816 [1,0,0,0,0,1|1,0,0]=3 1335 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 11a_100000037685_100000210414 [1,0,0,0,0,1|2,0,0]=4 1336 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 1626a_100000037685_100000210414 [1,0,0,0,0,1|2,0,0]=4 1337 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 22a_100000037685_100000210414 [1,0,0,0,0,1|2,0,0]=4 1338 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 271570a_100000694244_100000153536 [1,0,0,0,0,1|2,0,0]=4 1339 B14R1.3302 C=C(C)c1ccccc1NC(=O)NC 2430a_100000037685_100102657272 [1,0,0,0,0,1|2,0,0]=4 1340 B14R1.3302 C=C(C)c1ccccc1NC(=O)OC 271570a_100000694244_100000216184 [1,0,0,0,0,1|1,0,0]=3 1341 B14R1.3302 C=C(C)c1cccnc1CC(=O)OC 271570a_100000694244_100012347948 [1,0,0,0,0,1|2,0,0]=4 1342 B14R1.3302 C=C(C)c1ncccc1CC(=O)OC 271570a_100000694244_100010293180 [1,0,0,0,0,1|2,0,0]=4 1343 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)C 1458a_100000194446_200000210301 [1,0,0,0,0,1|1,0,0]=3 1344 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210414 [1,0,0,0,0,1|2,0,0]=4 1345 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210414 [1,0,0,0,0,1|2,0,0]=4 1346 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210414 [1,0,0,0,0,1|2,0,0]=4 1347 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100000194446_200025704644 [1,0,0,0,0,1|1,0,0]=3 1348 B14R1.3302 COC(=O)Cc1ccccc1C(=O)C 1458a_100000726341_200000210301 [1,0,0,0,0,1|0,0,0]=2 1349 B14R1.3302 COC(=O)Cc1ccccc1C(=O)[13CH3] 1458a_100000726341_200025704644 [1,0,0,0,0,1|0,0,0]=2 1350 B14R1.3302 COC(C)Sc1ccccc1C(=O)C 62a_100000751169_100009879195 [1,0,0,0,0,1|1,0,1]=4 1351 B14R1.3302 COC(C)Sc1ccccc1C(=O)O 62a_100009879195_100000734275 [1,0,0,0,0,1|1,0,1]=4 1352 B14R1.3302 COC(C)Sc1ccccc1C(=O)O 62a_202125556159_100009879195 [1,0,0,0,0,1|1,0,1]=4 1353 B14R1.734 CCC(=O)c1cccc(c1)C(=O)OC 1458a_100000035267_100000210202 [0,0,0,0,1,1|1,0,0]=3 1354 B14R1.734 CNC(=O)c1cccc(c1)C(=O)OC 11a_106832991635_100000035267 [0,0,0,0,1,1|1,0,0]=3 1355 B14R1.734 CNC(=O)c1cccc(c1)C(=O)OC 1626a_100102657272_100000035267 [0,0,0,0,1,1|1,0,0]=3 1356 B14R1.734 CNC(=O)c1cccc(c1)C(=O)OC 240690a_100102657272_100000035267 [0,0,0,0,1,1|1,0,0]=3 1357 B14R1.734 CNC(=O)c1cccc(c1)C(=O)OC 527a_100102657272_100000035267 [0,0,0,0,1,1|1,0,0]=3 1358 B14R1.734 COC(=O)c1cccc(c1)C(=O)CF 1458a_100000035267_100015361967 [0,0,0,0,1,1|2,0,0]=4 1359 B16R1.1332 C#CC(=O)CCc1ccccc1C(=O)OC 1458a_100000211873_200010284099 [0,0,0,0,0,2|1,0,1]=4 1360 B16R1.1332 C=CC(=O)CCc1ccccc1C(=O)OC 1458a_100000185746_200010284099 [0,0,0,0,0,2|1,0,1]=4 1361 B16R1.1332 CCC(=O)CCc1ccccc1C(=O)OC 1458a_100000210414_200010284099 [0,0,0,0,0,2|1,0,0]=3 1362 B16R1.1332 CCC(=O)CCc1ccccc1C(=O)OC 1458a_100000694103_100000210202 [0,0,0,0,0,2|1,0,0]=3 1363 B16R1.1332 CCC(=O)COc1ccccc1C(=O)CC 7a_100000184720_100000747405 [0,0,0,0,0,2|2,0,0]=4 1364 B16R1.1332 CCC(=O)COc1ccccc1C(=O)NC 7a_100000185920_100000747405 [0,0,0,0,0,2|2,0,0]=4 1365 B16R1.1332 CCC(=O)COc1ccccc1C(=O)OC 7a_100000150335_100000747405 [0,0,0,0,0,2|1,0,0]=3 1366 B16R1.1332 CCC(=O)COc1cccnc1C(=O)OC 7a_100000744052_100000747405 [0,0,0,0,0,2|2,0,0]=4 1367 B16R1.1332 CCC(=O)CSc1ccccc1C(=O)NC 62a_100000155073_100000747405 [0,0,0,0,0,2|2,0,0]=4 1368 B16R1.1332 CCC(=O)CSc1ccccc1C(=O)NC 62a_100000747405_100000155073 [0,0,0,0,0,2|2,0,0]=4 1369 B16R1.1332 CCC(=O)CSc1ccccc1C(=O)OC 62a_100000148710_100000747405 [0,0,0,0,0,2|1,0,0]=3 1370 B16R1.1332 CCC(=O)CSc1ccccc1C(=O)OC 62a_100000747405_100000148710 [0,0,0,0,0,2|1,0,0]=3 1371 B16R1.1332 CCC(=O)CSc1ccccc1C(=O)O[Na] 62a_100000747405_114855342371 [0,0,0,0,0,2|2,0,0]=4 1372 B16R1.1332 CCC(=O)CSc1cccnc1C(=O)OC 62a_100000747405_100011935214 [0,0,0,0,0,2|2,0,0]=4 1373 B16R1.1332 CCC(=O)CSc1cccnc1C(=O)OC 62a_100011935214_100000747405 [0,0,0,0,0,2|2,0,0]=4 1374 B16R1.1332 CCC(=O)CSc1ccncc1C(=O)OC 62a_100000747405_100020629055 [0,0,0,0,0,2|2,0,0]=4 1375 B16R1.1332 CCC(=O)CSc1ccncc1C(=O)OC 62a_100020629055_100000747405 [0,0,0,0,0,2|2,0,0]=4 1376 B16R1.1332 CCC(=O)CSc1cnccc1C(=O)OC 62a_100000747405_100010008606 [0,0,0,0,0,2|2,0,0]=4 1377 B16R1.1332 CCC(=O)CSc1cnccc1C(=O)OC 62a_100010008606_100000747405 [0,0,0,0,0,2|2,0,0]=4 1378 B16R1.1332 CCC(=O)CSc1ncccc1C(=O)OC 62a_100000747405_100000150852 [0,0,0,0,0,2|2,0,0]=4 1379 B16R1.1332 CCC(=O)CSc1ncccc1C(=O)OC 62a_100011587185_100000747405 [0,0,0,0,0,2|2,0,0]=4 1380 B16R1.1332 CCC(=O)NCc1ccccc1C(=O)OC 188690a_100000726750_100000210414 [0,0,0,0,0,2|1,0,0]=3 1381 B16R1.1332 CCC(=O)NCc1ncccc1C(=O)OC 188690a_100016994483_100000210414 [0,0,0,0,0,2|2,0,0]=4 1382 B16R1.1332 CCC(=O)c1ccccc1OCC(=O)NC 7a_100000184720_100000183359 [0,0,0,0,0,2|2,0,0]=4 1383 B16R1.1332 CCC(=O)c1ccccc1OCC(=O)OC 7a_100000184720_100000747449 [0,0,0,0,0,2|1,0,0]=3 1384 B16R1.1332 CNC(=O)CCc1ccccc1C(=O)OC 11a_106832991635_100000694103 [0,0,0,0,0,2|1,0,0]=3 1385 B16R1.1332 CNC(=O)CCc1ccccc1C(=O)OC 1626a_100102657272_100000694103 [0,0,0,0,0,2|1,0,0]=3 1386 B16R1.1332 CNC(=O)CCc1ccccc1C(=O)OC 240690a_100102657272_100000694103 [0,0,0,0,0,2|1,0,0]=3 1387 B16R1.1332 CNC(=O)CCc1ccccc1C(=O)OC 527a_100102657272_100000694103 [0,0,0,0,0,2|1,0,0]=3 1388 B16R1.1332 CNC(=O)CNc1ccccc1C(=O)NC 27a_100000693194_100000155073 [0,0,0,0,0,2|2,0,0]=4 1389 B16R1.1332 CNC(=O)CNc1ccccc1C(=O)NC 34a_100000185696_100000183359 [0,0,0,0,0,2|2,0,0]=4 1390 B16R1.1332 CNC(=O)CNc1ncccc1C(=O)OC 27a_100000693194_100000150852 [0,0,0,0,0,2|2,0,0]=4 1391 B16R1.1332 CNC(=O)COc1ccccc1C(=O)NC 34a_100000185920_100000183359 [0,0,0,0,0,2|2,0,0]=4 1392 B16R1.1332 CNC(=O)COc1ccccc1C(=O)NC 7a_100000185920_100000183359 [0,0,0,0,0,2|2,0,0]=4 1393 B16R1.1332 CNC(=O)COc1ccccc1C(=O)OC 7a_100000150335_100000183359 [0,0,0,0,0,2|1,0,0]=3 1394 B16R1.1332 CNC(=O)COc1cccnc1C(=O)OC 34a_100000744052_100000183359 [0,0,0,0,0,2|2,0,0]=4 1395 B16R1.1332 CNC(=O)COc1cccnc1C(=O)OC 7a_100000744052_100000183359 [0,0,0,0,0,2|2,0,0]=4 1396 B16R1.1332 CNC(=O)CSc1ccccc1C(=O)NC 62a_100000155073_100000183359 [0,0,0,0,0,2|2,0,0]=4 1397 B16R1.1332 CNC(=O)CSc1ccccc1C(=O)NC 62a_100000183359_100000155073 [0,0,0,0,0,2|2,0,0]=4 1398 B16R1.1332 CNC(=O)CSc1ccccc1C(=O)OC 62a_100000148710_100000183359 [0,0,0,0,0,2|1,0,0]=3 1399 B16R1.1332 CNC(=O)CSc1ccccc1C(=O)OC 62a_100000183359_100000148710 [0,0,0,0,0,2|1,0,0]=3 1400 B16R1.1332 CNC(=O)CSc1ccccc1C(=O)O[Na] 62a_100000183359_114855342371 [0,0,0,0,0,2|2,0,0]=4 1401 B16R1.1332 CNC(=O)CSc1cccnc1C(=O)OC 62a_100000183359_100011935214 [0,0,0,0,0,2|2,0,0]=4 1402 B16R1.1332 CNC(=O)CSc1cccnc1C(=O)OC 62a_100011935214_100000183359 [0,0,0,0,0,2|2,0,0]=4 1403 B16R1.1332 CNC(=O)CSc1ccncc1C(=O)OC 62a_100000183359_100020629055 [0,0,0,0,0,2|2,0,0]=4 1404 B16R1.1332 CNC(=O)CSc1ccncc1C(=O)OC 62a_100020629055_100000183359 [0,0,0,0,0,2|2,0,0]=4 1405 B16R1.1332 CNC(=O)CSc1cnccc1C(=O)OC 62a_100000183359_100010008606 [0,0,0,0,0,2|2,0,0]=4 1406 B16R1.1332 CNC(=O)CSc1cnccc1C(=O)OC 62a_100010008606_100000183359 [0,0,0,0,0,2|2,0,0]=4 1407 B16R1.1332 CNC(=O)CSc1ncccc1C(=O)OC 62a_100000183359_100000150852 [0,0,0,0,0,2|2,0,0]=4 1408 B16R1.1332 CNC(=O)CSc1ncccc1C(=O)OC 62a_100011587185_100000183359 [0,0,0,0,0,2|2,0,0]=4 1409 B16R1.1332 CNC(=O)c1ccccc1NCC(=O)OC 34a_100000185696_100000747449 [0,0,0,0,0,2|1,0,0]=3 1410 B16R1.1332 CNC(=O)c1ccccc1OCC(=O)OC 34a_100000185920_100000747449 [0,0,0,0,0,2|1,0,0]=3 1411 B16R1.1332 CNC(=O)c1ccccc1OCC(=O)OC 7a_100000185920_100000747449 [0,0,0,0,0,2|1,0,0]=3 1412 B16R1.1332 CNC(=O)c1ccccc1SCC(=O)OC 62a_100000155073_100000747449 [0,0,0,0,0,2|1,0,0]=3 1413 B16R1.1332 CNC(=O)c1ccccc1SCC(=O)OC 62a_100000747449_100000155073 [0,0,0,0,0,2|1,0,0]=3 1414 B16R1.1332 CNC(=O)c1cccnc1SCC(=O)OC 62a_100000159833_100000747449 [0,0,0,0,0,2|2,0,0]=4 1415 B16R1.1332 CNC(=O)c1cccnc1SCC(=O)OC 62a_100000747449_100000159833 [0,0,0,0,0,2|2,0,0]=4 1416 B16R1.1332 CNC(=O)c1ncccc1OCC(=O)OC 34a_100011376092_100000747449 [0,0,0,0,0,2|2,0,0]=4 1417 B16R1.1332 CNC(=O)c1ncccc1OCC(=O)OC 7a_100011376092_100000747449 [0,0,0,0,0,2|2,0,0]=4 1418 B16R1.1332 COC(=O)COc1ccccc1C(=O)CBr 7a_100000188908_100000747449 [0,0,0,0,0,2|2,0,0]=4 1419 B16R1.1332 COC(=O)COc1ccccc1C(=O)NN 34a_100000186518_100000747449 [0,0,0,0,0,2|2,0,0]=4 1420 B16R1.1332 COC(=O)COc1ccccc1C(=O)NO 34a_100000188472_100000747449 [0,0,0,0,0,2|2,0,0]=4 1421 B16R1.1332 COC(=O)COc1ccccc1C(=O)OC 7a_100000150335_100000747449 [0,0,0,0,0,2|0,0,0]=2 1422 B16R1.1332 COC(=O)COc1cccnc1C(=O)OC 34a_100000744052_100000747449 [0,0,0,0,0,2|1,0,0]=3 1423 B16R1.1332 COC(=O)COc1cccnc1C(=O)OC 7a_100000744052_100000747449 [0,0,0,0,0,2|1,0,0]=3 1424 B16R1.1332 COC(=O)CSc1ccccc1C(=O)NN 62a_100000190081_100000747449 [0,0,0,0,0,2|2,0,0]=4 1425 B16R1.1332 COC(=O)CSc1ccccc1C(=O)NN 62a_100000747449_100000190081 [0,0,0,0,0,2|2,0,0]=4 1426 B16R1.1332 COC(=O)CSc1ccccc1C(=O)OC 62a_100000148710_100000747449 [0,0,0,0,0,2|0,0,0]=2 1427 B16R1.1332 COC(=O)CSc1ccccc1C(=O)OC 62a_100000747449_100000148710 [0,0,0,0,0,2|0,0,0]=2 1428 B16R1.1332 COC(=O)CSc1ccccc1C(=O)O[Na] 62a_100000747449_114855342371 [0,0,0,0,0,2|1,0,0]=3 1429 B16R1.1332 COC(=O)CSc1cccnc1C(=O)OC 62a_100000747449_100011935214 [0,0,0,0,0,2|1,0,0]=3 1430 B16R1.1332 COC(=O)CSc1cccnc1C(=O)OC 62a_100011935214_100000747449 [0,0,0,0,0,2|1,0,0]=3 1431 B16R1.1332 COC(=O)CSc1ccncc1C(=O)OC 62a_100000747449_100020629055 [0,0,0,0,0,2|1,0,0]=3 1432 B16R1.1332 COC(=O)CSc1ccncc1C(=O)OC 62a_100020629055_100000747449 [0,0,0,0,0,2|1,0,0]=3 1433 B16R1.1332 COC(=O)CSc1cnccc1C(=O)OC 62a_100000747449_100010008606 [0,0,0,0,0,2|1,0,0]=3 1434 B16R1.1332 COC(=O)CSc1cnccc1C(=O)OC 62a_100010008606_100000747449 [0,0,0,0,0,2|1,0,0]=3 1435 B16R1.1332 COC(=O)CSc1cncnc1C(=O)OC 62a_100000747449_100012360100 [0,0,0,0,0,2|2,0,0]=4 1436 B16R1.1332 COC(=O)CSc1cncnc1C(=O)OC 62a_100012360100_100000747449 [0,0,0,0,0,2|2,0,0]=4 1437 B16R1.1332 COC(=O)CSc1ncccc1C(=O)OC 62a_100000747449_100000150852 [0,0,0,0,0,2|1,0,0]=3 1438 B16R1.1332 COC(=O)CSc1ncccc1C(=O)OC 62a_100011587185_100000747449 [0,0,0,0,0,2|1,0,0]=3 1439 B16R1.1332 COC(=O)CSc1nccnc1C(=O)OC 62a_100000688410_100000747449 [0,0,0,0,0,2|2,0,0]=4 1440 B16R1.1332 COC(=O)CSc1nccnc1C(=O)OC 62a_100000747449_100000079898 [0,0,0,0,0,2|2,0,0]=4 1441 B16R1.1332 COC(=O)CSc1ncncc1C(=O)OC 62a_100000726419_100000747449 [0,0,0,0,0,2|2,0,0]=4 1442 B16R1.1332 COC(=O)CSc1ncncc1C(=O)OC 62a_100000747449_100000726419 [0,0,0,0,0,2|2,0,0]=4 1443 B16R1.1332 COC(=O)c1ccccc1CCC(=O)CF 1458a_100000694103_100015361967 [0,0,0,0,0,2|2,0,0]=4 1444 B16R1.1332 COC(=O)c1ccccc1CCC(=O)CO 1458a_100000210174_200010284099 [0,0,0,0,0,2|2,0,0]=4 1445 B16R1.1332 COC(=O)c1ccccc1CNC(=O)CO 188690a_100000726750_100000210174 [0,0,0,0,0,2|2,0,0]=4 1446 B16R1.1332 COC(=O)c1ccccc1CSC(C)OC 62a_100000744672_100009879195 [0,0,0,0,0,2|1,0,1]=4 1447 B16R1.1332 COC(=O)c1ccccc1CSC(C)OC 62a_100009879195_100000744672 [0,0,0,0,0,2|1,0,1]=4 1448 B16R1.4414 C#CC(=O)Cc1ccccc1CC(=O)OC 1458a_100000211873_100000094086 [0,0,0,0,0,2|1,0,1]=4 1449 B16R1.4414 C=CC(=O)Cc1ccccc1CC(=O)OC 1458a_100000185746_100000094086 [0,0,0,0,0,2|1,0,1]=4 1450 B16R1.4414 CCC(=O)Cc1ccccc1CC(=O)OC 1458a_100000210414_100000094086 [0,0,0,0,0,2|1,0,0]=3 1451 B16R1.4414 CCC(=O)Nc1ccccc1CC(=O)NC 11a_100000738506_100000210414 [0,0,0,0,0,2|2,0,0]=4 1452 B16R1.4414 CCC(=O)Nc1ccccc1CC(=O)NC 1626a_100000738506_100000210414 [0,0,0,0,0,2|2,0,0]=4 1453 B16R1.4414 CCC(=O)Nc1ccccc1CC(=O)NC 22a_100000738506_100000210414 [0,0,0,0,0,2|2,0,0]=4 1454 B16R1.4414 CCC(=O)Nc1ccccc1CC(=O)NC 527a_100000738506_100000210414 [0,0,0,0,0,2|2,0,0]=4 1455 B16R1.4414 CCC(=O)Nc1ccccc1CC(=O)OC 188690a_100000766173_100000210414 [0,0,0,0,0,2|1,0,0]=3 1456 B16R1.4414 CNC(=O)Cc1ccccc1NC(=O)NC 2430a_100000738506_100102657272 [0,0,0,0,0,2|2,0,0]=4 1457 B16R1.4414 COC(=O)Cc1ccccc1CC(=O)CO 1458a_100000210174_100000094086 [0,0,0,0,0,2|2,0,0]=4 1458 B16R1.4414 COC(=O)Cc1ccccc1NC(=O)CO 188690a_100000766173_100000210174 [0,0,0,0,0,2|2,0,0]=4 1459 B16R1.4414 COC(=O)Cc1ccccc1SC(C)OC 62a_100000699816_100009879195 [0,0,0,0,0,2|1,0,1]=4 1460 B16R1.4414 COC(=O)Cc1ccccc1SC(C)OC 62a_100009879195_100000699816 [0,0,0,0,0,2|1,0,1]=4 1461 B16R1.4414 COC(=O)Nc1ccccc1SC(C)OC 62a_100009879195_100000216184 [0,0,0,0,0,2|1,0,1]=4