0 B13R1.547 C=C(C)c1ccccc1C(=O)NC 271570a_100000694244_100000155073 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.547 C=C(C)c1ccccc1C(=O)NN 271570a_100000694244_100000190081 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.547 C=C(C)c1ccccc1C(=O)OC 271570a_100000694244_100000148710 [0,0,0,0,0,0|1,0,1]=2 3 B13R1.547 C=C(C)c1cccnc1C(=O)OC 271570a_100000694244_100011935214 [0,0,0,0,0,0|2,0,1]=3 4 B13R1.547 C=C(C)c1ccncc1C(=O)OC 271570a_100000694244_100020629055 [0,0,0,0,0,0|2,0,1]=3 5 B13R1.547 C=C(C)c1cnccc1C(=O)OC 271570a_100000694244_100010008606 [0,0,0,0,0,0|2,0,1]=3 6 B13R1.547 C=C(C)c1cncnc1C(=O)OC 271570a_100000694244_100012360100 [0,0,0,0,0,0|3,0,1]=4 7 B13R1.547 C=C(C)c1ncccc1C(=O)NC 271570a_100000694244_100000159833 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.547 C=C(C)c1ncccc1C(=O)OC 271570a_100000694244_100000150852 [0,0,0,0,0,0|2,0,1]=3 9 B13R1.547 C=C(C)c1nccnc1C(=O)OC 271570a_100000694244_100000688410 [0,0,0,0,0,0|3,0,1]=4 10 B13R1.547 C=C(C)c1ncncc1C(=O)OC 271570a_100000694244_100000726419 [0,0,0,0,0,0|3,0,1]=4 11 B13R1.547 CC(C)c1ccccc1C(=O)CF 1458a_100011941426_100015361967 [0,0,0,0,0,0|3,0,0]=3 12 B13R1.547 CCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000210202 [0,0,0,0,0,0|2,0,0]=2 13 B13R1.547 CCC(=O)c1ccccc1C(F)F 1458a_100009872251_100000210202 [0,0,0,0,0,0|4,0,0]=4 14 B13R1.547 CCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000210202 [0,0,0,0,0,0|4,0,0]=4 15 B13R1.547 CCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000210202 [0,0,0,0,0,0|1,0,0]=1 16 B13R1.547 CCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210202 [0,0,0,0,0,0|3,0,0]=3 17 B13R1.547 CCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000210202 [0,0,0,0,0,0|3,0,1]=4 18 B13R1.547 CCN(C)c1ccccc1C(C)C 2230a_106256037369_100000210202 [0,0,0,0,0,0|4,0,0]=4 19 B13R1.547 CCN(C)c1ccccc1C(C)C 269982a_106256037369_100000204670 [0,0,0,0,0,0|4,0,0]=4 20 B13R1.547 CCN(C)c1ccccc1C(C)C 34a_106256037369_100000210202 [0,0,0,0,0,0|4,0,0]=4 21 B13R1.547 CCN(C)c1ccccc1C(C)C 38a_106256037369_100000204670 [0,0,0,0,0,0|4,0,0]=4 22 B13R1.547 CN(C)c1ccccc1C(=O)CF 1458a_100011218752_100015361967 [0,0,0,0,0,0|2,0,0]=2 23 B13R1.547 CNC(=O)c1ccccc1C(C)C 11a_106832991635_100011941426 [0,0,0,0,0,0|2,0,0]=2 24 B13R1.547 CNC(=O)c1ccccc1C(C)C 1626a_100102657272_100011941426 [0,0,0,0,0,0|2,0,0]=2 25 B13R1.547 CNC(=O)c1ccccc1C(C)C 240690a_100102657272_100011941426 [0,0,0,0,0,0|2,0,0]=2 26 B13R1.547 CNC(=O)c1ccccc1C(C)C 527a_100102657272_100011941426 [0,0,0,0,0,0|2,0,0]=2 27 B13R1.547 CNC(=O)c1ccccc1C(F)F 11a_106832991635_100009872251 [0,0,0,0,0,0|4,0,0]=4 28 B13R1.547 CNC(=O)c1ccccc1C(F)F 1626a_100102657272_100009872251 [0,0,0,0,0,0|4,0,0]=4 29 B13R1.547 CNC(=O)c1ccccc1C(F)F 240690a_100102657272_100009872251 [0,0,0,0,0,0|4,0,0]=4 30 B13R1.547 CNC(=O)c1ccccc1C(F)F 527a_100102657272_100009872251 [0,0,0,0,0,0|4,0,0]=4 31 B13R1.547 CNC(=O)c1ccccc1I(=O)=O 1626a_100102657272_100000061294 [0,0,0,0,0,0|4,0,0]=4 32 B13R1.547 CNC(=O)c1ccccc1I(=O)=O 240690a_100102657272_100000061294 [0,0,0,0,0,0|4,0,0]=4 33 B13R1.547 CNC(=O)c1ccccc1N(C)C 11a_106832991635_100011218752 [0,0,0,0,0,0|1,0,0]=1 34 B13R1.547 CNC(=O)c1ccccc1N(C)C 1626a_100102657272_100011218752 [0,0,0,0,0,0|1,0,0]=1 35 B13R1.547 CNC(=O)c1ccccc1N(C)C 240690a_100102657272_100011218752 [0,0,0,0,0,0|1,0,0]=1 36 B13R1.547 CNC(=O)c1ccccc1N(C)C 27a_100102631434_100000155073 [0,0,0,0,0,0|1,0,0]=1 37 B13R1.547 CNC(=O)c1ccccc1N(C)C 527a_100102657272_100011218752 [0,0,0,0,0,0|1,0,0]=1 38 B13R1.547 CNC(=O)c1ccccc1S(=O)C 1626a_100102657272_100000204632 [0,0,0,0,0,0|3,0,0]=3 39 B13R1.547 CNC(=O)c1ccccc1S(=O)C 240690a_100102657272_100000204632 [0,0,0,0,0,0|3,0,0]=3 40 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 11a_106832991635_100000188706 [0,0,0,0,0,0|3,0,1]=4 41 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 1626a_100102657272_100000188706 [0,0,0,0,0,0|3,0,1]=4 42 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 240690a_100102657272_100000188706 [0,0,0,0,0,0|3,0,1]=4 43 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 527a_100102657272_100000188706 [0,0,0,0,0,0|3,0,1]=4 44 B13R1.547 CNC(=O)c1cccnc1N(C)C 27a_100102631434_100000159833 [0,0,0,0,0,0|2,0,0]=2 45 B13R1.547 COC(=O)c1ccccc1C(=O)C 1458a_100011215673_200000210301 [0,0,0,0,0,0|2,0,0]=2 46 B13R1.547 COC(=O)c1ccccc1C(=O)[13CH3] 1458a_100011215673_200025704644 [0,0,0,0,0,0|2,0,0]=2 47 B13R1.547 COC(=O)c1ccccc1N(C)C 269982a_100000170468_200000210301 [0,0,0,0,0,0|0,0,0]=0 48 B13R1.547 COC(=O)c1ccccc1N(C)C 34a_100000170468_200000210301 [0,0,0,0,0,0|0,0,0]=0 49 B13R1.547 COC(=O)c1ccccc1N(C)[13CH3] 269982a_100000170468_200025704644 [0,0,0,0,0,0|0,0,0]=0 50 B13R1.547 COC(=O)c1ccccc1N(C)[13CH3] 34a_100000170468_200025704644 [0,0,0,0,0,0|0,0,0]=0 51 B13R1.547 COC(=O)c1cccnc1N(C)C 27a_100102631434_100000150852 [0,0,0,0,0,0|1,0,0]=1 52 B13R1.547 COC(=O)c1cncnc1N(C)C 27a_100102631434_100000726419 [0,0,0,0,0,0|2,0,0]=2 53 B13R1.547 COC(=O)c1nccnc1N(C)C 27a_100102631434_100000079898 [0,0,0,0,0,0|2,0,0]=2 54 B13R1.547 CS(=O)c1ccccc1C(=O)CF 1458a_100000204632_100015361967 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.77 C#Cc1ccccc1C(=O)CC 1458a_100011243808_100000210202 [1,0,0,0,0,0|2,0,1]=4 56 B12R1.77 C#Cc1ccccc1C(=O)NC 527a_100102657272_100011243808 [1,0,0,0,0,0|2,0,1]=4 57 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [1,0,0,0,0,0|2,0,1]=4 58 B12R1.77 C=Cc1ccccc1C(=O)NC 1626a_100102657272_100011830265 [1,0,0,0,0,0|2,0,1]=4 59 B12R1.77 C=Cc1ccccc1C(=O)NC 271570a_100011290941_100000155073 [1,0,0,0,0,0|2,0,1]=4 60 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [1,0,0,0,0,0|1,0,1]=3 61 B12R1.77 C=Cc1cccnc1C(=O)OC 271570a_100011290941_100011935214 [1,0,0,0,0,0|2,0,1]=4 62 B12R1.77 C=Cc1ccncc1C(=O)OC 271570a_100011290941_100020629055 [1,0,0,0,0,0|2,0,1]=4 63 B12R1.77 C=Cc1cnccc1C(=O)OC 271570a_100011290941_100010008606 [1,0,0,0,0,0|2,0,1]=4 64 B12R1.77 C=Cc1ncccc1C(=O)OC 271570a_100011290941_100000150852 [1,0,0,0,0,0|2,0,1]=4 65 B12R1.77 CCC(=O)c1ccccc1C#N 1458a_100000742908_100000210202 [1,0,0,0,0,0|3,0,0]=4 66 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [1,0,0,0,0,0|2,0,0]=3 67 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [1,0,0,0,0,0|3,0,0]=4 68 B12R1.77 CCC(=O)c1ccccc1I=O 1458a_100000032414_100000210202 [1,0,0,0,0,0|3,0,0]=4 69 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [1,0,0,0,0,0|2,0,0]=3 70 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [1,0,0,0,0,0|2,0,0]=3 71 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [1,0,0,0,0,0|2,0,0]=3 72 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [1,0,0,0,0,0|2,0,0]=3 73 B12R1.77 CCC(C)c1ccccc1NC 2230a_200000211393_200000210301 [1,0,0,0,0,0|2,0,1]=4 74 B12R1.77 CCC(C)c1ccccc1NC 7a_200000211393_200000210301 [1,0,0,0,0,0|2,0,1]=4 75 B12R1.77 CCC(C)c1ccccc1N[13CH3] 2230a_200000211393_200025704644 [1,0,0,0,0,0|2,0,1]=4 76 B12R1.77 CCC(C)c1ccccc1N[13CH3] 7a_200000211393_200025704644 [1,0,0,0,0,0|2,0,1]=4 77 B12R1.77 CCc1ccccc1C(=O)CF 1458a_100000689120_100015361967 [1,0,0,0,0,0|3,0,0]=4 78 B12R1.77 CCc1ccccc1C(=O)NC 11a_106832991635_100000689120 [1,0,0,0,0,0|2,0,0]=3 79 B12R1.77 CCc1ccccc1C(=O)NC 1626a_100102657272_100000689120 [1,0,0,0,0,0|2,0,0]=3 80 B12R1.77 CCc1ccccc1C(=O)NC 240690a_100102657272_100000689120 [1,0,0,0,0,0|2,0,0]=3 81 B12R1.77 CCc1ccccc1C(=O)NC 527a_100102657272_100000689120 [1,0,0,0,0,0|2,0,0]=3 82 B12R1.77 CNC(=O)c1ccccc1C#N 11a_106832991635_100000742908 [1,0,0,0,0,0|3,0,0]=4 83 B12R1.77 CNC(=O)c1ccccc1C#N 1626a_100102657272_100000742908 [1,0,0,0,0,0|3,0,0]=4 84 B12R1.77 CNC(=O)c1ccccc1C#N 527a_100102657272_100000742908 [1,0,0,0,0,0|3,0,0]=4 85 B12R1.77 CNC(=O)c1ccccc1I=O 1626a_100102657272_100000032414 [1,0,0,0,0,0|3,0,0]=4 86 B12R1.77 CNC(=O)c1ccccc1I=O 240690a_100102657272_100000032414 [1,0,0,0,0,0|3,0,0]=4 87 B12R1.77 CNC(=O)c1ccccc1I=O 527a_100102657272_100000032414 [1,0,0,0,0,0|3,0,0]=4 88 B12R1.77 CNC(=O)c1ccccc1NC 27a_100102657272_100000155073 [1,0,0,0,0,0|1,0,0]=2 89 B12R1.77 CNC(=O)c1ccccc1NC 34a_100000185696_200000210301 [1,0,0,0,0,0|1,0,0]=2 90 B12R1.77 CNC(=O)c1ccccc1N[13CH3] 34a_100000185696_200025704644 [1,0,0,0,0,0|1,0,0]=2 91 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [1,0,0,0,0,0|2,0,0]=3 92 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [1,0,0,0,0,0|2,0,0]=3 93 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [1,0,0,0,0,0|2,0,0]=3 94 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [1,0,0,0,0,0|2,0,0]=3 95 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [1,0,0,0,0,0|2,0,0]=3 96 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [1,0,0,0,0,0|2,0,0]=3 97 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [1,0,0,0,0,0|2,0,0]=3 98 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [1,0,0,0,0,0|2,0,0]=3 99 B12R1.77 CNC(=O)c1ccccc1SC 11a_106832991635_100000183967 [1,0,0,0,0,0|2,0,0]=3 100 B12R1.77 CNC(=O)c1ccccc1SC 1626a_100102657272_100000183967 [1,0,0,0,0,0|2,0,0]=3 101 B12R1.77 CNC(=O)c1ccccc1SC 240690a_100102657272_100000183967 [1,0,0,0,0,0|2,0,0]=3 102 B12R1.77 CNC(=O)c1ccccc1SC 527a_100102657272_100000183967 [1,0,0,0,0,0|2,0,0]=3 103 B12R1.77 CNC(=O)c1ccccc1SC 62a_100000155073_200000210301 [1,0,0,0,0,0|2,0,0]=3 104 B12R1.77 CNC(=O)c1ccccc1SC 62a_200000210301_100000155073 [1,0,0,0,0,0|2,0,0]=3 105 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_100000155073_200025704644 [1,0,0,0,0,0|2,0,0]=3 106 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000155073 [1,0,0,0,0,0|2,0,0]=3 107 B12R1.77 CNC(=O)c1cccnc1NC 27a_100102657272_100000159833 [1,0,0,0,0,0|2,0,0]=3 108 B12R1.77 CNC(=O)c1cccnc1SC 62a_100000159833_200000210301 [1,0,0,0,0,0|3,0,0]=4 109 B12R1.77 CNC(=O)c1cccnc1SC 62a_200000210301_100000159833 [1,0,0,0,0,0|3,0,0]=4 110 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_100000159833_200025704644 [1,0,0,0,0,0|3,0,0]=4 111 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000159833 [1,0,0,0,0,0|3,0,0]=4 112 B12R1.77 CNC(=O)c1ncccc1OC 34a_100011376092_200000210301 [1,0,0,0,0,0|3,0,0]=4 113 B12R1.77 CNC(=O)c1ncccc1OC 7a_100011376092_200000210301 [1,0,0,0,0,0|3,0,0]=4 114 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 34a_100011376092_200025704644 [1,0,0,0,0,0|3,0,0]=4 115 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 7a_100011376092_200025704644 [1,0,0,0,0,0|3,0,0]=4 116 B12R1.77 CNc1ncccc1C(=O)OC 27a_100102657272_100000150852 [1,0,0,0,0,0|1,0,0]=2 117 B12R1.77 CNc1nccnc1C(=O)OC 27a_100102657272_100000079898 [1,0,0,0,0,0|2,0,0]=3 118 B12R1.77 CNc1ncncc1C(=O)OC 27a_100102657272_100000726419 [1,0,0,0,0,0|2,0,0]=3 119 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [1,0,0,0,0,0|1,0,0]=2 120 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [1,0,0,0,0,0|1,0,0]=2 121 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [1,0,0,0,0,0|1,0,0]=2 122 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [1,0,0,0,0,0|1,0,0]=2 123 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [1,0,0,0,0,0|1,0,0]=2 124 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [1,0,0,0,0,0|1,0,0]=2 125 B12R1.77 COC(=O)c1cccnc1SC 62a_100011587185_200000210301 [1,0,0,0,0,0|2,0,0]=3 126 B12R1.77 COC(=O)c1cccnc1SC 62a_200000210301_100000150852 [1,0,0,0,0,0|2,0,0]=3 127 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_100011587185_200025704644 [1,0,0,0,0,0|2,0,0]=3 128 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000150852 [1,0,0,0,0,0|2,0,0]=3 129 B12R1.77 COC(=O)c1ccncc1SC 62a_100010008606_200000210301 [1,0,0,0,0,0|2,0,0]=3 130 B12R1.77 COC(=O)c1ccncc1SC 62a_200000210301_100010008606 [1,0,0,0,0,0|2,0,0]=3 131 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_100010008606_200025704644 [1,0,0,0,0,0|2,0,0]=3 132 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_200025704644_100010008606 [1,0,0,0,0,0|2,0,0]=3 133 B12R1.77 COC(=O)c1cnccc1SC 62a_100020629055_200000210301 [1,0,0,0,0,0|2,0,0]=3 134 B12R1.77 COC(=O)c1cnccc1SC 62a_200000210301_100020629055 [1,0,0,0,0,0|2,0,0]=3 135 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_100020629055_200025704644 [1,0,0,0,0,0|2,0,0]=3 136 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_200025704644_100020629055 [1,0,0,0,0,0|2,0,0]=3 137 B12R1.77 COC(=O)c1cncnc1SC 62a_100000726419_200000210301 [1,0,0,0,0,0|3,0,0]=4 138 B12R1.77 COC(=O)c1cncnc1SC 62a_200000210301_100000726419 [1,0,0,0,0,0|3,0,0]=4 139 B12R1.77 COC(=O)c1cncnc1S[13CH3] 62a_100000726419_200025704644 [1,0,0,0,0,0|3,0,0]=4 140 B12R1.77 COC(=O)c1cncnc1S[13CH3] 62a_200025704644_100000726419 [1,0,0,0,0,0|3,0,0]=4 141 B12R1.77 COC(=O)c1ncccc1OC 34a_100000744052_200000210301 [1,0,0,0,0,0|2,0,0]=3 142 B12R1.77 COC(=O)c1ncccc1OC 7a_100000744052_200000210301 [1,0,0,0,0,0|2,0,0]=3 143 B12R1.77 COC(=O)c1ncccc1O[13CH3] 34a_100000744052_200025704644 [1,0,0,0,0,0|2,0,0]=3 144 B12R1.77 COC(=O)c1ncccc1O[13CH3] 7a_100000744052_200025704644 [1,0,0,0,0,0|2,0,0]=3 145 B12R1.77 COC(=O)c1ncccc1SC 62a_100011935214_200000210301 [1,0,0,0,0,0|2,0,0]=3 146 B12R1.77 COC(=O)c1ncccc1SC 62a_200000210301_100011935214 [1,0,0,0,0,0|2,0,0]=3 147 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_100011935214_200025704644 [1,0,0,0,0,0|2,0,0]=3 148 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_200025704644_100011935214 [1,0,0,0,0,0|2,0,0]=3 149 B12R1.77 COC(=O)c1nccnc1SC 62a_100000688410_200000210301 [1,0,0,0,0,0|3,0,0]=4 150 B12R1.77 COC(=O)c1nccnc1SC 62a_200000210301_100000079898 [1,0,0,0,0,0|3,0,0]=4 151 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_100000688410_200025704644 [1,0,0,0,0,0|3,0,0]=4 152 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000079898 [1,0,0,0,0,0|3,0,0]=4 153 B12R1.77 COC(=O)c1ncncc1SC 62a_100012360100_200000210301 [1,0,0,0,0,0|3,0,0]=4 154 B12R1.77 COC(=O)c1ncncc1SC 62a_200000210301_100012360100 [1,0,0,0,0,0|3,0,0]=4 155 B12R1.77 COC(=O)c1ncncc1S[13CH3] 62a_100012360100_200025704644 [1,0,0,0,0,0|3,0,0]=4 156 B12R1.77 COC(=O)c1ncncc1S[13CH3] 62a_200025704644_100012360100 [1,0,0,0,0,0|3,0,0]=4 157 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [1,0,0,0,0,0|3,0,0]=4 158 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [1,0,0,0,0,0|3,0,0]=4 159 B12R1.77 COc1ccccc1C(=O)NN 34a_100000186518_200000210301 [1,0,0,0,0,0|3,0,0]=4 160 B12R1.77 COc1ccccc1C(=O)NO 34a_100000188472_200000210301 [1,0,0,0,0,0|3,0,0]=4 161 B12R1.77 COc1ccccc1C(C)OC 7a_100000742714_200000210301 [1,0,0,0,0,0|2,0,1]=4 162 B12R1.77 COc1ccccc1C(C)O[13CH3] 7a_100000742714_200025704644 [1,0,0,0,0,0|2,0,1]=4 163 B12R1.77 CSc1ccccc1C(=O)CF 1458a_100000183967_100015361967 [1,0,0,0,0,0|3,0,0]=4 164 B12R1.77 CSc1ccccc1C(=O)NN 62a_100000190081_200000210301 [1,0,0,0,0,0|3,0,0]=4 165 B12R1.77 CSc1ccccc1C(=O)NN 62a_200000210301_100000190081 [1,0,0,0,0,0|3,0,0]=4 166 B12R1.77 CSc1ccccc1C(=O)O[Na] 62a_200000210301_114855342371 [1,0,0,0,0,0|2,0,0]=3 167 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [1,0,0,0,0,0|3,0,0]=4 168 B12R1.77 [13CH3]Oc1ccccc1C(=O)NN 34a_100000186518_200025704644 [1,0,0,0,0,0|3,0,0]=4 169 B12R1.77 [13CH3]Oc1ccccc1C(=O)NO 34a_100000188472_200025704644 [1,0,0,0,0,0|3,0,0]=4 170 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_100000190081_200025704644 [1,0,0,0,0,0|3,0,0]=4 171 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_200025704644_100000190081 [1,0,0,0,0,0|3,0,0]=4 172 B12R1.77 [13CH3]Sc1ccccc1C(=O)O[Na] 62a_200025704644_114855342371 [1,0,0,0,0,0|2,0,0]=3 173 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [1,0,0,0,0,0|1,0,1]=3 174 B12R1.261 C=C(C)c1ccccc1C(=O)N 271570a_100000694244_100000162227 [1,0,0,0,0,0|2,0,1]=4 175 B12R1.261 C=C(C)c1ccccc1C(C)C 271570a_100000694244_100011218076 [1,0,0,0,0,0|2,0,0]=3 176 B12R1.261 C=C(C)c1ccccc1C(C)N 271570a_100000694244_100000181357 [1,0,0,0,0,0|3,0,0]=4 177 B12R1.261 C=C(C)c1ccccc1C(C)O 271570a_100000694244_100000702211 [1,0,0,0,0,0|3,0,0]=4 178 B12R1.261 C=C(C)c1ccccc1N(C)C 271570a_100000694244_100011290883 [1,0,0,0,0,0|1,0,0]=2 179 B12R1.261 C=C(C)c1ccccc1S(=O)C 271570a_100000694244_100000734199 [1,0,0,0,0,0|2,0,1]=4 180 B12R1.261 C=C(C)c1cccnc1C(=O)C 271570a_100000694244_100012348690 [1,0,0,0,0,0|2,0,1]=4 181 B12R1.261 C=C(C)c1cccnc1N(C)C 271570a_100000694244_100011465059 [1,0,0,0,0,0|2,0,0]=3 182 B12R1.261 C=C(C)c1ccncc1C(=O)C 271570a_100000694244_100160469449 [1,0,0,0,0,0|2,0,1]=4 183 B12R1.261 C=C(C)c1cnccc1C(=O)C 271570a_100000694244_100009993184 [1,0,0,0,0,0|2,0,1]=4 184 B12R1.261 C=C(C)c1cnccc1N(C)C 271570a_100000694244_100012355995 [1,0,0,0,0,0|2,0,0]=3 185 B12R1.261 C=C(C)c1ncccc1C(=O)C 271570a_100000694244_100000753718 [1,0,0,0,0,0|2,0,1]=4 186 B12R1.261 C=C(C)c1ncccc1C(C)C 271570a_100000694244_200010382935 [1,0,0,0,0,0|3,0,0]=4 187 B12R1.261 C=C(C)c1nccnc1N(C)C 271570a_100000694244_100000703087 [1,0,0,0,0,0|3,0,0]=4 188 B12R1.261 CC(=O)c1ccccc1C(C)C 1458a_100011941426_200000210301 [1,0,0,0,0,0|1,0,0]=2 189 B12R1.261 CC(=O)c1ccccc1C(F)F 1458a_100009872251_200000210301 [1,0,0,0,0,0|3,0,0]=4 190 B12R1.261 CC(=O)c1ccccc1I(=O)=O 1458a_100000061294_200000210301 [1,0,0,0,0,0|3,0,0]=4 191 B12R1.261 CC(=O)c1ccccc1N(C)C 1458a_100011218752_200000210301 [1,0,0,0,0,0|0,0,0]=1 192 B12R1.261 CC(=O)c1ccccc1S(=O)C 1458a_100000204632_200000210301 [1,0,0,0,0,0|2,0,0]=3 193 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200000210301 [1,0,0,0,0,0|2,0,1]=4 194 B12R1.261 CC(=O)c1cccnc1N(C)C 27a_100102631434_100009816689 [1,0,0,0,0,0|1,0,0]=2 195 B12R1.261 CC(=O)c1cnccc1N(C)C 27a_100102631434_100160469449 [1,0,0,0,0,0|1,0,0]=2 196 B12R1.261 CC(=O)c1nccnc1N(C)C 27a_100102631434_100000099859 [1,0,0,0,0,0|2,0,0]=3 197 B12R1.261 CC(C)c1ccccc1C(=O)[13CH3] 1458a_100011941426_200025704644 [1,0,0,0,0,0|1,0,0]=2 198 B12R1.261 CC(C)c1ccccc1N(C)C 2230a_106256037369_200000210301 [1,0,0,0,0,0|1,0,1]=3 199 B12R1.261 CC(C)c1ccccc1N(C)C 269982a_106256037369_200000210301 [1,0,0,0,0,0|1,0,1]=3 200 B12R1.261 CC(C)c1ccccc1N(C)C 34a_106256037369_200000210301 [1,0,0,0,0,0|1,0,1]=3 201 B12R1.261 CC(C)c1ccccc1N(C)C 38a_106256037369_200000210301 [1,0,0,0,0,0|1,0,1]=3 202 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 2230a_106256037369_200025704644 [1,0,0,0,0,0|1,0,1]=3 203 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 269982a_106256037369_200025704644 [1,0,0,0,0,0|1,0,1]=3 204 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 34a_106256037369_200025704644 [1,0,0,0,0,0|1,0,1]=3 205 B12R1.261 CC(C)c1ccccc1N(C)[13CH3] 38a_106256037369_200025704644 [1,0,0,0,0,0|1,0,1]=3 206 B12R1.261 CN(C)c1ccccc1C(=O)N 269982a_100000184419_200000210301 [1,0,0,0,0,0|1,0,0]=2 207 B12R1.261 CN(C)c1ccccc1C(=O)[13CH3] 1458a_100011218752_200025704644 [1,0,0,0,0,0|0,0,0]=1 208 B12R1.261 CN(C)c1ccccc1[N+](=O)[O-] 2230a_100000156515_200000210301 [1,0,0,0,0,0|1,0,1]=3 209 B12R1.261 CN(C)c1ccccc1[N+](=O)[O-] 269982a_100000156515_200000210301 [1,0,0,0,0,0|1,0,1]=3 210 B12R1.261 CN(C)c1cccnc1C(=O)N 27a_100102631434_200012359670 [1,0,0,0,0,0|2,0,0]=3 211 B12R1.261 CN(C)c1ccncc1C(=O)N 27a_100102631434_100000697804 [1,0,0,0,0,0|2,0,0]=3 212 B12R1.261 CN(C)c1ncccc1C(=O)N 27a_100102631434_100000162199 [1,0,0,0,0,0|2,0,0]=3 213 B12R1.261 CN(C)c1nccnc1C(=O)N 27a_100102631434_100000094861 [1,0,0,0,0,0|3,0,0]=4 214 B12R1.261 CN([13CH3])c1ccccc1C(=O)N 269982a_100000184419_200025704644 [1,0,0,0,0,0|1,0,0]=2 215 B12R1.261 CN([13CH3])c1ccccc1[N+](=O)[O-] 2230a_100000156515_200025704644 [1,0,0,0,0,0|1,0,1]=3 216 B12R1.261 CN([13CH3])c1ccccc1[N+](=O)[O-] 269982a_100000156515_200025704644 [1,0,0,0,0,0|1,0,1]=3 217 B12R1.261 CS(=O)c1ccccc1C(=O)[13CH3] 1458a_100000204632_200025704644 [1,0,0,0,0,0|2,0,0]=3 218 B12R1.261 [13CH3]C(=O)c1ccccc1C(F)F 1458a_100009872251_200025704644 [1,0,0,0,0,0|3,0,0]=4 219 B12R1.261 [13CH3]C(=O)c1ccccc1I(=O)=O 1458a_100000061294_200025704644 [1,0,0,0,0,0|3,0,0]=4 220 B12R1.261 [13CH3]C(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200025704644 [1,0,0,0,0,0|2,0,1]=4 221 B12R1.283 C=C(C)c1ccccc1COC 271570a_100000694244_100011493684 [1,0,0,0,0,0|1,0,2]=4 222 B12R1.283 C=C=Cc1ccccc1C(C)C 271570a_100015277604_100011218076 [1,0,0,0,0,0|2,0,1]=4 223 B12R1.283 C=C=Cc1ccccc1N(C)C 271570a_100015277604_100011290883 [1,0,0,0,0,0|1,0,1]=3 224 B12R1.283 C=C=Cc1cccnc1N(C)C 271570a_100015277604_100011465059 [1,0,0,0,0,0|2,0,1]=4 225 B12R1.283 C=C=Cc1cnccc1N(C)C 271570a_100015277604_100012355995 [1,0,0,0,0,0|2,0,1]=4 226 B12R1.283 CC(C)c1cccnc1CO[13CH3] 34a_200009878718_200025704644 [1,0,0,0,0,0|2,0,1]=4 227 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [1,0,0,0,0,0|3,0,0]=4 228 B12R1.283 CC=Cc1ccccc1C(C)C 271570a_100016259895_100011218076 [1,0,0,0,0,0|2,0,0]=3 229 B12R1.283 CC=Cc1ccccc1C(C)N 271570a_100016259895_100000181357 [1,0,0,0,0,0|3,0,0]=4 230 B12R1.283 CC=Cc1ccccc1C(C)O 271570a_100016259895_100000702211 [1,0,0,0,0,0|3,0,0]=4 231 B12R1.283 CC=Cc1ccccc1N(C)C 271570a_100016259895_100011290883 [1,0,0,0,0,0|1,0,0]=2 232 B12R1.283 CC=Cc1ccccc1S(=O)C 271570a_100016259895_100000734199 [1,0,0,0,0,0|3,0,0]=4 233 B12R1.283 CC=Cc1cccnc1N(C)C 271570a_100016259895_100011465059 [1,0,0,0,0,0|2,0,0]=3 234 B12R1.283 CC=Cc1cnccc1N(C)C 271570a_100016259895_100012355995 [1,0,0,0,0,0|2,0,0]=3 235 B12R1.283 CC=Cc1ncccc1C(C)C 271570a_100016259895_200010382935 [1,0,0,0,0,0|3,0,0]=4 236 B12R1.283 CC=Cc1nccnc1N(C)C 271570a_100016259895_100000703087 [1,0,0,0,0,0|3,0,0]=4 237 B12R1.283 CCNc1ccccc1C(C)C 2230a_100000210643_100000210202 [1,0,0,0,0,0|3,0,0]=4 238 B12R1.283 CCNc1ccccc1C(C)C 34a_100000210643_100000210202 [1,0,0,0,0,0|3,0,0]=4 239 B12R1.283 CCNc1ccccc1C(C)C 7a_100000210643_100000210202 [1,0,0,0,0,0|3,0,0]=4 240 B12R1.283 CCOc1ccccc1C(C)C 34a_100000211617_100000210202 [1,0,0,0,0,0|3,0,0]=4 241 B12R1.283 CCOc1ccccc1C(C)C 7a_100000211617_100000210202 [1,0,0,0,0,0|3,0,0]=4 242 B12R1.283 CCSc1ccccc1C(C)C 62a_100000210202_100000708600 [1,0,0,0,0,0|3,0,0]=4 243 B12R1.283 CCSc1ccccc1C(C)C 62a_100000708600_100000210202 [1,0,0,0,0,0|3,0,0]=4 244 B12R1.283 CCSc1ccccc1N(C)C 62a_100000210202_100011290883 [1,0,0,0,0,0|2,0,0]=3 245 B12R1.283 CCSc1ccccc1N(C)C 62a_100011290883_100000210202 [1,0,0,0,0,0|2,0,0]=3 246 B12R1.283 CCSc1cccnc1N(C)C 62a_100000210202_100011465059 [1,0,0,0,0,0|3,0,0]=4 247 B12R1.283 CCSc1cccnc1N(C)C 62a_100011465059_100000210202 [1,0,0,0,0,0|3,0,0]=4 248 B12R1.283 CCSc1cnccc1N(C)C 62a_100000210202_100012355995 [1,0,0,0,0,0|3,0,0]=4 249 B12R1.283 CCSc1cnccc1N(C)C 62a_100012355995_100000210202 [1,0,0,0,0,0|3,0,0]=4 250 B12R1.283 CN(C)c1ccccc1SCF 62a_100011290883_100015361967 [1,0,0,0,0,0|3,0,0]=4 251 B12R1.283 CN(C)c1ccccc1SCF 62a_100015361967_100011290883 [1,0,0,0,0,0|3,0,0]=4 252 B12R1.283 CNCc1ccccc1C(C)C 207a_100102657272_100011361515 [1,0,0,0,0,0|2,0,1]=4 253 B12R1.283 CNCc1ccccc1C(C)C 26a_100102657272_100000211617 [1,0,0,0,0,0|2,0,1]=4 254 B12R1.283 CNCc1ccccc1C(C)C 270004a_106832991635_100011361515 [1,0,0,0,0,0|2,0,1]=4 255 B12R1.283 CNCc1ccccc1N(C)C 207a_100102657272_100000750901 [1,0,0,0,0,0|1,0,1]=3 256 B12R1.283 CNCc1ccccc1N(C)C 270004a_106832991635_100000750901 [1,0,0,0,0,0|1,0,1]=3 257 B12R1.283 CNCc1cccnc1N(C)C 207a_100102657272_100000731630 [1,0,0,0,0,0|2,0,1]=4 258 B12R1.283 CNCc1cccnc1N(C)C 270004a_106832991635_100000731630 [1,0,0,0,0,0|2,0,1]=4 259 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [1,0,0,0,0,0|2,0,1]=4 260 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [1,0,0,0,0,0|2,0,1]=4 261 B12R1.283 COCc1ncccc1C(C)C 34a_100138415774_200134614246 [1,0,0,0,0,0|2,0,1]=4 262 B12R1.283 COCc1ncccc1C(C)C 34a_200009878718_200000210301 [1,0,0,0,0,0|2,0,1]=4 263 B14R1.317 CCS(=O)(=O)c1cccnc1N(C)C 27a_100102631434_100000702504 [0,1,0,0,0,0|3,0,0]=4 264 B14R1.429 C=C(C)c1ccccc1C(=O)N(C)C 271570a_100000694244_100000159526 [0,1,0,0,0,0|2,0,1]=4 265 B14R1.429 CC(=C(C)c1ccccc1C(C)C)C 271570a_200000049429_100011218076 [0,1,0,0,0,0|3,0,0]=4 266 B14R1.429 CC(=C(C)c1ccccc1N(C)C)C 271570a_200000049429_100011290883 [0,1,0,0,0,0|2,0,0]=3 267 B14R1.429 CC(=C(C)c1cccnc1N(C)C)C 271570a_200000049429_100011465059 [0,1,0,0,0,0|3,0,0]=4 268 B14R1.429 CC(=C(C)c1cnccc1N(C)C)C 271570a_200000049429_100012355995 [0,1,0,0,0,0|3,0,0]=4 269 B14R1.429 CC(=O)c1ccccc1C(=O)N(C)C 1458a_200000753992_200000210301 [0,1,0,0,0,0|3,0,0]=4 270 B14R1.429 CC(C)C(=O)c1ccccc1C(C)C 1458a_100011941426_100000210206 [0,1,0,0,0,0|2,0,0]=3 271 B14R1.429 CC(C)C(=O)c1ccccc1N(C)C 1458a_100011218752_100000210206 [0,1,0,0,0,0|1,0,0]=2 272 B14R1.429 CC(C)C(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210206 [0,1,0,0,0,0|3,0,0]=4 273 B14R1.429 CC(C)c1ccccc1C(=O)N(C)C 11a_100102631434_100011941426 [0,1,0,0,0,0|2,0,0]=3 274 B14R1.429 CC(C)c1ccccc1C(=O)N(C)C 1626a_100102631434_100011941426 [0,1,0,0,0,0|2,0,0]=3 275 B14R1.429 CC(C)c1ccccc1C(=O)N(C)C 240690a_100102631434_100011941426 [0,1,0,0,0,0|2,0,0]=3 276 B14R1.429 CC(C)c1ccccc1C(=O)N(C)C 527a_100102631434_100011941426 [0,1,0,0,0,0|2,0,0]=3 277 B14R1.429 CN(C)C(=O)c1ccccc1C(=O)[13CH3] 1458a_200000753992_200025704644 [0,1,0,0,0,0|3,0,0]=4 278 B14R1.429 CN(C)C(=O)c1ccccc1N(C)C 11a_100102631434_100011218752 [0,1,0,0,0,0|1,0,0]=2 279 B14R1.429 CN(C)C(=O)c1ccccc1N(C)C 1626a_100102631434_100011218752 [0,1,0,0,0,0|1,0,0]=2 280 B14R1.429 CN(C)C(=O)c1ccccc1N(C)C 240690a_100102631434_100011218752 [0,1,0,0,0,0|1,0,0]=2 281 B14R1.429 CN(C)C(=O)c1ccccc1N(C)C 527a_100102631434_100011218752 [0,1,0,0,0,0|1,0,0]=2 282 B14R1.429 CN(C)C(=O)c1ccccc1S(=O)C 1626a_100102631434_100000204632 [0,1,0,0,0,0|3,0,0]=4 283 B14R1.429 CN(C)C(=O)c1ccccc1S(=O)C 240690a_100102631434_100000204632 [0,1,0,0,0,0|3,0,0]=4 284 B14R1.429 CN(C)C(=O)c1cccnc1N(C)C 27a_100102631434_100000159563 [0,1,0,0,0,0|2,0,0]=3 285 B14R1.623 C#CCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000184674 [0,1,0,0,0,0|2,0,1]=4 286 B14R1.623 C#CCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000184674 [0,1,0,0,0,0|1,0,1]=3 287 B14R1.623 C=C(C)c1ccccc1C(=O)NCC 271570a_100000694244_200000155173 [0,1,0,0,0,0|2,0,1]=4 288 B14R1.623 C=C(C)c1ccccc1C(=O)OCC 271570a_100000694244_100000169879 [0,1,0,0,0,0|1,0,1]=3 289 B14R1.623 C=C(C)c1cccnc1C(=O)OCC 271570a_100000694244_100012351660 [0,1,0,0,0,0|2,0,1]=4 290 B14R1.623 C=C(C)c1ccncc1C(=O)OCC 271570a_100000694244_100016987518 [0,1,0,0,0,0|2,0,1]=4 291 B14R1.623 C=C(C)c1cnccc1C(=O)OCC 271570a_100000694244_100010238393 [0,1,0,0,0,0|2,0,1]=4 292 B14R1.623 C=C(C)c1ncccc1C(=O)OCC 271570a_100000694244_100000170124 [0,1,0,0,0,0|2,0,1]=4 293 B14R1.623 C=CCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000210623 [0,1,0,0,0,0|2,0,1]=4 294 B14R1.623 C=CCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000210623 [0,1,0,0,0,0|1,0,1]=3 295 B14R1.623 CC(C)c1ccccc1C(=O)CC#N 1458a_100011941426_100011214920 [0,1,0,0,0,0|2,0,1]=4 296 B14R1.623 CC(C)c1ccccc1C(=O)CCF 1458a_100011941426_100011217306 [0,1,0,0,0,0|2,0,0]=3 297 B14R1.623 CC(C)c1ccccc1C(=O)CCO 1458a_100011941426_100000211926 [0,1,0,0,0,0|2,0,0]=3 298 B14R1.623 CCCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000210303 [0,1,0,0,0,0|2,0,0]=3 299 B14R1.623 CCCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000210303 [0,1,0,0,0,0|1,0,0]=2 300 B14R1.623 CCCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210303 [0,1,0,0,0,0|3,0,0]=4 301 B14R1.623 CCNC(=O)c1ccccc1C(C)C 11a_100015525214_100011941426 [0,1,0,0,0,0|2,0,0]=3 302 B14R1.623 CCNC(=O)c1ccccc1C(C)C 240690a_100015525214_100011941426 [0,1,0,0,0,0|2,0,0]=3 303 B14R1.623 CCNC(=O)c1ccccc1C(C)C 527a_100015525214_100011941426 [0,1,0,0,0,0|2,0,0]=3 304 B14R1.623 CCNC(=O)c1ccccc1N(C)C 11a_100015525214_100011218752 [0,1,0,0,0,0|1,0,0]=2 305 B14R1.623 CCNC(=O)c1ccccc1N(C)C 240690a_100015525214_100011218752 [0,1,0,0,0,0|1,0,0]=2 306 B14R1.623 CCNC(=O)c1ccccc1N(C)C 27a_100102631434_200000155173 [0,1,0,0,0,0|1,0,0]=2 307 B14R1.623 CCNC(=O)c1ccccc1N(C)C 527a_100015525214_100011218752 [0,1,0,0,0,0|1,0,0]=2 308 B14R1.623 CCNC(=O)c1ccccc1S(=O)C 240690a_100015525214_100000204632 [0,1,0,0,0,0|3,0,0]=4 309 B14R1.623 CCNC(=O)c1cccnc1N(C)C 27a_100102631434_100000160120 [0,1,0,0,0,0|2,0,0]=3 310 B14R1.623 CCOC(=O)c1ccccc1N(C)C 2230a_100160572725_200000210301 [0,1,0,0,0,0|0,0,0]=1 311 B14R1.623 CCOC(=O)c1ccccc1N(C)C 269982a_100160572725_200000210301 [0,1,0,0,0,0|0,0,0]=1 312 B14R1.623 CCOC(=O)c1ccccc1N(C)[13CH3] 2230a_100160572725_200025704644 [0,1,0,0,0,0|0,0,0]=1 313 B14R1.623 CCOC(=O)c1ccccc1N(C)[13CH3] 269982a_100160572725_200025704644 [0,1,0,0,0,0|0,0,0]=1 314 B14R1.623 CCOC(=O)c1cccnc1N(C)C 27a_100102631434_100000170124 [0,1,0,0,0,0|1,0,0]=2 315 B14R1.623 CCOC(=O)c1cnccc1N(C)C 27a_100102631434_100016987518 [0,1,0,0,0,0|1,0,0]=2 316 B14R1.623 CCOC(=O)c1cncnc1N(C)C 27a_100102631434_100011998183 [0,1,0,0,0,0|2,0,0]=3 317 B14R1.623 CCOC(=O)c1nccnc1N(C)C 27a_100102631434_100000085455 [0,1,0,0,0,0|2,0,0]=3 318 B14R1.623 CCOC(=O)c1ncncc1N(C)C 27a_100102631434_100012344254 [0,1,0,0,0,0|2,0,0]=3 319 B14R1.623 CN(C)c1ccccc1C(=O)CC#N 1458a_100011218752_100011214920 [0,1,0,0,0,0|1,0,1]=3 320 B14R1.623 CN(C)c1ccccc1C(=O)CCF 1458a_100011218752_100011217306 [0,1,0,0,0,0|1,0,0]=2 321 B14R1.623 CN(C)c1ccccc1C(=O)CCO 1458a_100011218752_100000211926 [0,1,0,0,0,0|1,0,0]=2 322 B14R1.623 CNNC(=O)c1ccccc1C(C)C 22a_100016993582_100011941426 [0,1,0,0,0,0|2,0,0]=3 323 B14R1.623 CNNC(=O)c1ccccc1N(C)C 22a_100016993582_100011218752 [0,1,0,0,0,0|1,0,0]=2 324 B14R1.623 CNNC(=O)c1ccccc1S(=O)C 22a_100016993582_100000204632 [0,1,0,0,0,0|3,0,0]=4 325 B14R1.623 COCN(C)c1ccccc1C(C)C 2230a_106256037369_100000766300 [0,1,0,0,0,0|3,0,0]=4 326 B14R1.623 COCN(C)c1ccccc1C(C)C 269982a_106256037369_100000766300 [0,1,0,0,0,0|3,0,0]=4 327 B14R1.623 CS(=O)c1ccccc1C(=O)CCF 1458a_100000204632_100011217306 [0,1,0,0,0,0|3,0,0]=4 328 B14R1.623 CS(=O)c1ccccc1C(=O)CCO 1458a_100000204632_100000211926 [0,1,0,0,0,0|3,0,0]=4 329 B14R1.707 C=C(C)c1ccc(cc1C(=O)NC)Cl 271570a_100000694244_200011279454 [0,1,0,0,0,0|2,0,1]=4 330 B14R1.707 C=C(C)c1ccc(cc1C(=O)NC)F 271570a_100000694244_200000206232 [0,1,0,0,0,0|2,0,1]=4 331 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)Br 271570a_100000694244_100000148213 [0,1,0,0,0,0|1,0,1]=3 332 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)C 271570a_100000694244_100012339458 [0,1,0,0,0,0|1,0,1]=3 333 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)Cl 271570a_100000694244_100011294804 [0,1,0,0,0,0|1,0,1]=3 334 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)F 271570a_100000694244_100000205820 [0,1,0,0,0,0|1,0,1]=3 335 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)N 271570a_100000694244_100000696289 [0,1,0,0,0,0|1,0,1]=3 336 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)O 271570a_100000694244_100010230369 [0,1,0,0,0,0|1,0,1]=3 337 B14R1.707 C=C(C)c1ccc(nc1C(=O)OC)N 271570a_100000694244_100009816986 [0,1,0,0,0,0|2,0,1]=4 338 B14R1.707 C=C(C)c1ccc(nc1C(=O)OC)O 271570a_100000694244_100010189638 [0,1,0,0,0,0|2,0,1]=4 339 B14R1.707 C=C(C)c1cnc(cc1C(=O)OC)N 271570a_100000694244_100011934820 [0,1,0,0,0,0|2,0,1]=4 340 B14R1.707 C=C(C)c1cnc(cc1C(=O)OC)O 271570a_100000694244_100009816900 [0,1,0,0,0,0|2,0,1]=4 341 B14R1.707 C=C(C)c1ncc(cc1C(=O)OC)C 271570a_100000694244_100000085774 [0,1,0,0,0,0|2,0,1]=4 342 B14R1.707 C=C(C)c1ncc(cc1C(=O)OC)F 271570a_100000694244_100012000215 [0,1,0,0,0,0|2,0,1]=4 343 B14R1.707 C=C(C)c1ncc(cc1C(=O)OC)N 271570a_100000694244_200012182668 [0,1,0,0,0,0|2,0,1]=4 344 B14R1.707 CCC(=O)c1cc(ccc1C(C)C)C 1458a_200012176289_100000210202 [0,1,0,0,0,0|2,0,0]=3 345 B14R1.707 CNC(=O)c1cc(ccc1C(C)C)C 11a_106832991635_200012176289 [0,1,0,0,0,0|2,0,0]=3 346 B14R1.707 CNC(=O)c1cc(ccc1C(C)C)C 1626a_100102657272_200012176289 [0,1,0,0,0,0|2,0,0]=3 347 B14R1.707 CNC(=O)c1cc(ccc1C(C)C)C 240690a_100102657272_200012176289 [0,1,0,0,0,0|2,0,0]=3 348 B14R1.707 CNC(=O)c1cc(ccc1C(C)C)C 527a_100102657272_200012176289 [0,1,0,0,0,0|2,0,0]=3 349 B14R1.707 CNC(=O)c1cc(ccc1N(C)C)Cl 27a_100102631434_200011279454 [0,1,0,0,0,0|1,0,0]=2 350 B14R1.707 CNC(=O)c1cc(ccc1N(C)C)F 27a_100102631434_200000206232 [0,1,0,0,0,0|1,0,0]=2 351 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Br 269982a_200000216482_200000210301 [0,1,0,0,0,0|0,0,0]=1 352 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Br 34a_200000216482_200000210301 [0,1,0,0,0,0|0,0,0]=1 353 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Br 7a_200000216482_200000210301 [0,1,0,0,0,0|0,0,0]=1 354 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Cl 269982a_100000216484_200000210301 [0,1,0,0,0,0|0,0,0]=1 355 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Cl 34a_100000216484_200000210301 [0,1,0,0,0,0|0,0,0]=1 356 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Cl 38a_100000216484_200000210301 [0,1,0,0,0,0|0,0,0]=1 357 B14R1.707 COC(=O)c1cc(ccc1N(C)C)F 269982a_100011806480_200000210301 [0,1,0,0,0,0|0,0,0]=1 358 B14R1.707 COC(=O)c1cc(ccc1N(C)C)F 34a_100011806480_200000210301 [0,1,0,0,0,0|0,0,0]=1 359 B14R1.707 COC(=O)c1cc(ccc1N(C)C)F 38a_100011806480_200000210301 [0,1,0,0,0,0|0,0,0]=1 360 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Br 269982a_200000216482_200025704644 [0,1,0,0,0,0|0,0,0]=1 361 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Br 34a_200000216482_200025704644 [0,1,0,0,0,0|0,0,0]=1 362 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Br 7a_200000216482_200025704644 [0,1,0,0,0,0|0,0,0]=1 363 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Cl 269982a_100000216484_200025704644 [0,1,0,0,0,0|0,0,0]=1 364 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Cl 34a_100000216484_200025704644 [0,1,0,0,0,0|0,0,0]=1 365 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Cl 38a_100000216484_200025704644 [0,1,0,0,0,0|0,0,0]=1 366 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])F 269982a_100011806480_200025704644 [0,1,0,0,0,0|0,0,0]=1 367 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])F 34a_100011806480_200025704644 [0,1,0,0,0,0|0,0,0]=1 368 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])F 38a_100011806480_200025704644 [0,1,0,0,0,0|0,0,0]=1 369 B14R1.707 COC(=O)c1cc(cnc1N(C)C)C 27a_100102631434_100000085774 [0,1,0,0,0,0|1,0,0]=2 370 B14R1.707 Cc1ccc(c(c1)C(=O)CF)C(C)C 1458a_200012176289_100015361967 [0,1,0,0,0,0|3,0,0]=4 371 B14R1.745 CC(C)(C)c1ccccc1C(=O)CF 1458a_100000690655_100015361967 [0,1,0,0,0,0|3,0,0]=4 372 B14R1.745 CCC(=O)c1ccccc1C(C)(C)C 1458a_100000690655_100000210202 [0,1,0,0,0,0|2,0,0]=3 373 B14R1.745 CCC(=O)c1ccccc1S(=O)(=O)C 1458a_100000185186_100000210202 [0,1,0,0,0,0|3,0,0]=4 374 B14R1.745 CNC(=O)c1ccccc1C(C)(C)C 11a_106832991635_100000690655 [0,1,0,0,0,0|2,0,0]=3 375 B14R1.745 CNC(=O)c1ccccc1C(C)(C)C 1626a_100102657272_100000690655 [0,1,0,0,0,0|2,0,0]=3 376 B14R1.745 CNC(=O)c1ccccc1C(C)(C)C 240690a_100102657272_100000690655 [0,1,0,0,0,0|2,0,0]=3 377 B14R1.745 CNC(=O)c1ccccc1C(C)(C)C 527a_100102657272_100000690655 [0,1,0,0,0,0|2,0,0]=3 378 B14R1.745 CNC(=O)c1ccccc1S(=O)(=O)C 11a_106832991635_100000185186 [0,1,0,0,0,0|3,0,0]=4 379 B14R1.745 CNC(=O)c1ccccc1S(=O)(=O)C 1626a_100102657272_100000185186 [0,1,0,0,0,0|3,0,0]=4 380 B14R1.745 CNC(=O)c1ccccc1S(=O)(=O)C 240690a_100102657272_100000185186 [0,1,0,0,0,0|3,0,0]=4 381 B14R1.746 CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210202 [0,1,0,0,0,0|2,0,0]=3 382 B14R1.746 CCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000204670 [0,1,0,0,0,0|0,0,0]=1 383 B14R1.746 CCN(C)c1ccccc1C(=O)OC 34a_100000170468_100000210202 [0,1,0,0,0,0|0,0,0]=1 384 B14R1.746 CNC(=O)c1ccccc1C(=O)OC 1626a_100102657272_100011215673 [0,1,0,0,0,0|2,0,0]=3 385 B14R1.746 CNC(=O)c1ccccc1C(=O)OC 240690a_100102657272_100011215673 [0,1,0,0,0,0|2,0,0]=3 386 B14R1.746 COC(=O)c1ccccc1C(=O)CF 1458a_100011215673_100015361967 [0,1,0,0,0,0|2,0,0]=3 387 B14R1.746 COC(=O)c1ccccc1N(C)CF 269982a_100000170468_100015361967 [0,1,0,0,0,0|0,0,0]=1 388 B14R1.746 COC(=O)c1ccccc1N(C)CF 34a_100000170468_100015361967 [0,1,0,0,0,0|0,0,0]=1 389 B14R1.1126 C=C(C)c1cc(ccc1C(=O)CC)C 271570a_100000694244_200012349623 [0,1,0,0,0,0|2,0,1]=4 390 B14R1.1126 C=C(C)c1cc(ccc1C(=O)NC)F 271570a_100000694244_200000206206 [0,1,0,0,0,0|2,0,1]=4 391 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)Br 271570a_100000694244_100000701758 [0,1,0,0,0,0|1,0,1]=3 392 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)C 271570a_100000694244_100012340597 [0,1,0,0,0,0|1,0,1]=3 393 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)Cl 271570a_100000694244_100000047510 [0,1,0,0,0,0|1,0,1]=3 394 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)F 271570a_100000694244_100000204356 [0,1,0,0,0,0|1,0,1]=3 395 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)N 271570a_100000694244_100009998378 [0,1,0,0,0,0|1,0,1]=3 396 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)O 271570a_100000694244_100010150825 [0,1,0,0,0,0|1,0,1]=3 397 B14R1.1126 C=C(C)c1cc(cnc1C(=O)OC)C 271570a_100000694244_100010167497 [0,1,0,0,0,0|2,0,1]=4 398 B14R1.1126 C=C(C)c1cc(cnc1C(=O)OC)F 271570a_100000694244_100010189631 [0,1,0,0,0,0|2,0,1]=4 399 B14R1.1126 C=C(C)c1cc(ncc1C(=O)OC)C 271570a_100000694244_100011998247 [0,1,0,0,0,0|2,0,1]=4 400 B14R1.1126 C=C(C)c1nc(ccc1C(=O)OC)C 271570a_100000694244_100000054099 [0,1,0,0,0,0|2,0,1]=4 401 B14R1.1126 C=C(C)c1nc(ccc1C(=O)OC)N 271570a_100000694244_100009865240 [0,1,0,0,0,0|2,0,1]=4 402 B14R1.1126 C=C(C)c1nc(ccc1C(=O)OC)O 271570a_100000694244_100016008356 [0,1,0,0,0,0|2,0,1]=4 403 B14R1.1126 CCC(=O)c1ccc(cc1N(C)C)Br 1458a_200000744963_100000210202 [0,1,0,0,0,0|1,0,0]=2 404 B14R1.1126 CCC(=O)c1ccc(cc1N(C)C)C 27a_100102631434_200012349623 [0,1,0,0,0,0|1,0,0]=2 405 B14R1.1126 CN(C)c1cc(ccc1C(=O)CF)Br 1458a_200000744963_100015361967 [0,1,0,0,0,0|2,0,0]=3 406 B14R1.1126 CN(C)c1cc(ccc1C(=O)NN)F 27a_100102631434_100000203923 [0,1,0,0,0,0|2,0,0]=3 407 B14R1.1126 CNC(=O)c1ccc(cc1N(C)C)Br 11a_106832991635_200000744963 [0,1,0,0,0,0|1,0,0]=2 408 B14R1.1126 CNC(=O)c1ccc(cc1N(C)C)Br 1626a_100102657272_200000744963 [0,1,0,0,0,0|1,0,0]=2 409 B14R1.1126 CNC(=O)c1ccc(cc1N(C)C)Br 240690a_100102657272_200000744963 [0,1,0,0,0,0|1,0,0]=2 410 B14R1.1126 CNC(=O)c1ccc(cc1N(C)C)F 27a_100102631434_200000206206 [0,1,0,0,0,0|1,0,0]=2 411 B14R1.1126 COC(=O)c1ccc(cc1B(O)O)O 271570a_203496583355_100000070578 [0,1,0,0,0,0|3,0,0]=4 412 B14R1.1126 COC(=O)c1ccc(cc1C(=O)C)F 1458a_200010710419_200000210301 [0,1,0,0,0,0|2,0,0]=3 413 B14R1.1126 COC(=O)c1ccc(cc1C(=O)[13CH3])F 1458a_200010710419_200025704644 [0,1,0,0,0,0|2,0,0]=3 414 B14R1.1126 COC(=O)c1ccc(cc1N(C)C)Br 269982a_200160487225_200000210301 [0,1,0,0,0,0|0,0,0]=1 415 B14R1.1126 COC(=O)c1ccc(cc1N(C)C)Br 34a_200160487225_200000210301 [0,1,0,0,0,0|0,0,0]=1 416 B14R1.1126 COC(=O)c1ccc(cc1N(C)[13CH3])Br 269982a_200160487225_200025704644 [0,1,0,0,0,0|0,0,0]=1 417 B14R1.1126 COC(=O)c1ccc(cc1N(C)[13CH3])Br 34a_200160487225_200025704644 [0,1,0,0,0,0|0,0,0]=1 418 B14R1.1126 COC(=O)c1cnc(cc1N(C)C)C 27a_100102631434_100011998247 [0,1,0,0,0,0|1,0,0]=2 419 B14R1.1126 COC(=O)c1cnc(nc1N(C)C)N 27a_100102631434_100010277515 [0,1,0,0,0,0|2,0,0]=3 420 B14R1.1126 COC(=O)c1ncc(nc1N(C)C)C 27a_100102631434_100000099855 [0,1,0,0,0,0|2,0,0]=3 421 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)Br 271570a_100000694244_100010150843 [0,1,0,0,0,0|1,0,1]=3 422 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)C 271570a_100000694244_100012002529 [0,1,0,0,0,0|1,0,1]=3 423 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)F 271570a_100000694244_100012357630 [0,1,0,0,0,0|1,0,1]=3 424 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)N 271570a_100000694244_100000719424 [0,1,0,0,0,0|1,0,1]=3 425 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)O 271570a_100000694244_200010230364 [0,1,0,0,0,0|1,0,1]=3 426 B14R1.1153 COC(=O)c1cccc(c1C(=O)C)Br 1458a_100010710481_200000210301 [0,1,0,0,0,0|2,0,0]=3 427 B14R1.1153 COC(=O)c1cccc(c1C(=O)[13CH3])Br 1458a_100010710481_200025704644 [0,1,0,0,0,0|2,0,0]=3 428 B14R1.1164 C=C(C)c1cccc(c1C(=O)NC)F 271570a_100000694244_100012642803 [0,1,0,0,0,0|2,0,1]=4 429 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)Br 271570a_100000694244_100010247157 [0,1,0,0,0,0|1,0,1]=3 430 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)C 271570a_100000694244_100010204206 [0,1,0,0,0,0|1,0,1]=3 431 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)Cl 271570a_100000694244_100010150959 [0,1,0,0,0,0|1,0,1]=3 432 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)F 271570a_100000694244_100000150693 [0,1,0,0,0,0|1,0,1]=3 433 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)N 271570a_100000694244_100010253892 [0,1,0,0,0,0|1,0,1]=3 434 B14R1.1164 C=C(C)c1ccnc(c1C(=O)OC)Cl 271570a_100000694244_100010138530 [0,1,0,0,0,0|2,0,1]=4 435 B14R1.1164 C=C(C)c1ccnc(c1C(=O)OC)F 271570a_100000694244_100010150474 [0,1,0,0,0,0|2,0,1]=4 436 B14R1.1164 C=C(C)c1cncc(c1C(=O)OC)F 271570a_100000694244_100010189632 [0,1,0,0,0,0|2,0,1]=4 437 B14R1.1164 C=C(C)c1nccc(c1C(=O)OC)F 271570a_100000694244_100015560809 [0,1,0,0,0,0|2,0,1]=4 438 B14R1.1164 C=C(C)c1nccc(c1C(=O)OC)N 271570a_100000694244_100009985557 [0,1,0,0,0,0|2,0,1]=4 439 B14R1.1164 CNC(=O)c1c(cccc1N(C)C)F 27a_100102631434_100012642803 [0,1,0,0,0,0|1,0,0]=2 440 B14R1.1164 COC(=O)c1c(cccc1N(C)C)Cl 269982a_200010565112_200000210301 [0,1,0,0,0,0|0,0,0]=1 441 B14R1.1164 COC(=O)c1c(cccc1N(C)C)Cl 34a_200010565112_200000210301 [0,1,0,0,0,0|0,0,0]=1 442 B14R1.1164 COC(=O)c1c(cccc1N(C)[13CH3])Cl 269982a_200010565112_200025704644 [0,1,0,0,0,0|0,0,0]=1 443 B14R1.1164 COC(=O)c1c(cccc1N(C)[13CH3])Cl 34a_200010565112_200025704644 [0,1,0,0,0,0|0,0,0]=1 444 B14R2.1131 COc1ccc(c2c1cccc2)C 34a_100000074455_200000210301 [0,0,0,1,0,0|2,0,1]=4 445 B14R2.1131 COc1ccc(c2c1cccc2)C 7a_100000074455_200000210301 [0,0,0,1,0,0|2,0,1]=4 446 B14R2.1131 COc1nnc(c2c1cccc2)C 34a_100000183092_200000210301 [0,0,0,1,0,0|3,0,0]=4 447 B14R2.1131 Cc1ccc(c2c1cccc2)O[13CH3] 34a_100000074455_200025704644 [0,0,0,1,0,0|2,0,1]=4 448 B14R2.1131 Cc1ccc(c2c1cccc2)O[13CH3] 7a_100000074455_200025704644 [0,0,0,1,0,0|2,0,1]=4 449 B14R2.1131 Cc1nnc(c2c1cccc2)O[13CH3] 34a_100000183092_200025704644 [0,0,0,1,0,0|3,0,0]=4 450 B14R2.10655 CCC(=O)c1ccccc1C2CC2 1458a_100011688854_100000210202 [0,0,0,1,0,0|2,0,0]=3 451 B14R2.10655 CNC(=O)c1ccccc1C2CC2 11a_106832991635_100011688854 [0,0,0,1,0,0|2,0,0]=3 452 B14R2.10655 CNC(=O)c1ccccc1C2CC2 1626a_100102657272_100011688854 [0,0,0,1,0,0|2,0,0]=3 453 B14R2.10655 CNC(=O)c1ccccc1C2CC2 271570a_100011220607_100000155073 [0,0,0,1,0,0|2,0,0]=3 454 B14R2.10655 CNC(=O)c1ccccc1C2CC2 527a_100102657272_100011688854 [0,0,0,1,0,0|2,0,0]=3 455 B14R2.10655 CNC(=O)c1cccnc1C2CC2 271570a_100011220607_100000159833 [0,0,0,1,0,0|3,0,0]=4 456 B14R2.10655 COC(=O)c1ccccc1C2CC2 271570a_100011220607_100000148710 [0,0,0,1,0,0|1,0,0]=2 457 B14R2.10655 COC(=O)c1cccnc1C2CC2 271570a_100011220607_100000150852 [0,0,0,1,0,0|2,0,0]=3 458 B14R2.10655 COC(=O)c1ccncc1C2CC2 271570a_100011220607_100010008606 [0,0,0,1,0,0|2,0,0]=3 459 B14R2.10655 COC(=O)c1cnccc1C2CC2 271570a_100011220607_100020629055 [0,0,0,1,0,0|2,0,0]=3 460 B14R2.10655 COC(=O)c1cncnc1C2CC2 271570a_100011220607_100000726419 [0,0,0,1,0,0|3,0,0]=4 461 B14R2.10655 COC(=O)c1ncccc1C2CC2 271570a_100011220607_100011935214 [0,0,0,1,0,0|2,0,0]=3 462 B14R2.10655 COC(=O)c1nccnc1C2CC2 271570a_100011220607_100000688410 [0,0,0,1,0,0|3,0,0]=4 463 B14R2.10655 COC(=O)c1ncncc1C2CC2 271570a_100011220607_100012360100 [0,0,0,1,0,0|3,0,0]=4 464 B14R2.10655 NNC(=O)c1ccccc1C2CC2 271570a_100011220607_100000190081 [0,0,0,1,0,0|3,0,0]=4 465 B14R2.10655 O=C(CF)c1ccccc1C2CC2 1458a_100011688854_100015361967 [0,0,0,1,0,0|3,0,0]=4 466 B14R2.24350 C=C(C)c1cccc2c1C(=O)CC2 271570a_100000694244_100009816781 [0,0,0,1,0,0|2,0,1]=4 467 B14R2.24350 C=C(C)c1cccc2c1C(=O)NC2 271570a_100000694244_100000724024 [0,0,0,1,0,0|2,0,1]=4 468 B14R2.24350 C=C(C)c1cccc2c1C(=O)OC2 271570a_100000694244_100010132333 [0,0,0,1,0,0|1,0,1]=3 469 B14R2.24350 CC(=O)c1cccc2c1C(=O)NC2 1458a_100000103835_200000210301 [0,0,0,1,0,0|3,0,0]=4 470 B14R2.24350 [13CH3]C(=O)c1cccc2c1C(=O)NC2 1458a_100000103835_200025704644 [0,0,0,1,0,0|3,0,0]=4 471 B12R1.368 C=C(C)c1cc[nH]c1C(=O)OC 271570a_100000694244_100102525103 [0,0,0,0,1,0|2,0,1]=4 472 B12R1.368 C=C(C)c1ccoc1C(=O)OC 271570a_100000694244_100012676306 [0,0,0,0,1,0|2,0,1]=4 473 B12R1.368 C=C(C)c1ccsc1C(=O)OC 271570a_100000694244_100000730364 [0,0,0,0,1,0|2,0,1]=4 474 B12R1.368 C=C(C)c1cscc1C(=O)OC 271570a_100000694244_100012351140 [0,0,0,0,1,0|2,0,1]=4 475 B12R1.368 C=C(C)c1occc1C(=O)OC 271570a_100000694244_100011935261 [0,0,0,0,1,0|2,0,1]=4 476 B12R1.368 C=C(C)c1sccc1C(=O)OC 271570a_100000694244_100009822520 [0,0,0,0,1,0|2,0,1]=4 477 B14R1.744 CC(=Cc1ccccc1C(=O)NN)C 271570a_100102525489_100000190081 [0,0,0,0,0,1|3,0,0]=4 478 B14R1.744 CC(C)Oc1ccccc1C(=O)CBr 7a_100000188908_100000210206 [0,0,0,0,0,1|3,0,0]=4 479 B14R1.744 CC(C)Oc1ccccc1C(=O)CF 1458a_100000244644_100015361967 [0,0,0,0,0,1|3,0,0]=4 480 B14R1.744 CC(C)Oc1ccccc1C(=O)NN 34a_100000186518_100000210206 [0,0,0,0,0,1|3,0,0]=4 481 B14R1.744 CC(C)Oc1ccccc1C(=O)NO 34a_100000188472_100000210206 [0,0,0,0,0,1|3,0,0]=4 482 B14R1.744 CC(C)Sc1ccccc1C(=O)CF 1458a_100000229993_100015361967 [0,0,0,0,0,1|3,0,0]=4 483 B14R1.744 CC(C)Sc1ccccc1C(=O)NN 62a_100000190081_100000210206 [0,0,0,0,0,1|3,0,0]=4 484 B14R1.744 CC(C)Sc1ccccc1C(=O)NN 62a_100000210206_100000190081 [0,0,0,0,0,1|3,0,0]=4 485 B14R1.744 CC(C)Sc1ccccc1C(=O)O[Na] 62a_100000210206_114855342371 [0,0,0,0,0,1|2,0,0]=3 486 B14R1.744 CCC(=O)c1ccccc1CN(C)C 1458a_100000743624_100000210202 [0,0,0,0,0,1|1,0,0]=2 487 B14R1.744 CCC(=O)c1ccccc1OC(C)C 1458a_100000244644_100000210202 [0,0,0,0,0,1|2,0,0]=3 488 B14R1.744 CCC(=O)c1ccccc1OC(C)C 7a_100000184720_100000210206 [0,0,0,0,0,1|2,0,0]=3 489 B14R1.744 CCC(=O)c1ccccc1SC(C)C 1458a_100000229993_100000210202 [0,0,0,0,0,1|2,0,0]=3 490 B14R1.744 CN(C)Cc1ccccc1C(=O)CF 1458a_100000743624_100015361967 [0,0,0,0,0,1|2,0,0]=3 491 B14R1.744 CNC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000155073 [0,0,0,0,0,1|2,0,0]=3 492 B14R1.744 CNC(=O)c1ccccc1CN(C)C 1626a_100102657272_100000743624 [0,0,0,0,0,1|1,0,0]=2 493 B14R1.744 CNC(=O)c1ccccc1CN(C)C 240690a_100102657272_100000743624 [0,0,0,0,0,1|1,0,0]=2 494 B14R1.744 CNC(=O)c1ccccc1NC(=O)C 11a_100000185696_100015343762 [0,0,0,0,0,1|3,0,0]=4 495 B14R1.744 CNC(=O)c1ccccc1NC(=O)C 1626a_100000185696_100015343762 [0,0,0,0,0,1|3,0,0]=4 496 B14R1.744 CNC(=O)c1ccccc1NC(=O)C 22a_100000185696_100000070787 [0,0,0,0,0,1|3,0,0]=4 497 B14R1.744 CNC(=O)c1ccccc1NC(C)C 27a_100138425928_100000155073 [0,0,0,0,0,1|2,0,0]=3 498 B14R1.744 CNC(=O)c1ccccc1NC(C)C 34a_100000185696_100000210206 [0,0,0,0,0,1|2,0,0]=3 499 B14R1.744 CNC(=O)c1ccccc1OC(=O)C 240690a_100102657272_100000210466 [0,0,0,0,0,1|3,0,0]=4 500 B14R1.744 CNC(=O)c1ccccc1OC(C)C 11a_106832991635_100000244644 [0,0,0,0,0,1|2,0,0]=3 501 B14R1.744 CNC(=O)c1ccccc1OC(C)C 1626a_100102657272_100000244644 [0,0,0,0,0,1|2,0,0]=3 502 B14R1.744 CNC(=O)c1ccccc1OC(C)C 240690a_100102657272_100000244644 [0,0,0,0,0,1|2,0,0]=3 503 B14R1.744 CNC(=O)c1ccccc1OC(C)C 34a_100000185920_100000210206 [0,0,0,0,0,1|2,0,0]=3 504 B14R1.744 CNC(=O)c1ccccc1OC(C)C 527a_100102657272_100000244644 [0,0,0,0,0,1|2,0,0]=3 505 B14R1.744 CNC(=O)c1ccccc1OC(C)C 7a_100000185920_100000210206 [0,0,0,0,0,1|2,0,0]=3 506 B14R1.744 CNC(=O)c1ccccc1SC(C)C 11a_106832991635_100000229993 [0,0,0,0,0,1|2,0,0]=3 507 B14R1.744 CNC(=O)c1ccccc1SC(C)C 1626a_100102657272_100000229993 [0,0,0,0,0,1|2,0,0]=3 508 B14R1.744 CNC(=O)c1ccccc1SC(C)C 240690a_100102657272_100000229993 [0,0,0,0,0,1|2,0,0]=3 509 B14R1.744 CNC(=O)c1ccccc1SC(C)C 527a_100102657272_100000229993 [0,0,0,0,0,1|2,0,0]=3 510 B14R1.744 CNC(=O)c1ccccc1SC(C)C 62a_100000155073_100000210206 [0,0,0,0,0,1|2,0,0]=3 511 B14R1.744 CNC(=O)c1ccccc1SC(C)C 62a_100000210206_100000155073 [0,0,0,0,0,1|2,0,0]=3 512 B14R1.744 CNC(=O)c1cccnc1C=C(C)C 271570a_100102525489_100000159833 [0,0,0,0,0,1|3,0,0]=4 513 B14R1.744 CNC(=O)c1cccnc1NC(C)C 27a_100138425928_100000159833 [0,0,0,0,0,1|3,0,0]=4 514 B14R1.744 CNC(=O)c1cccnc1SC(C)C 62a_100000159833_100000210206 [0,0,0,0,0,1|3,0,0]=4 515 B14R1.744 CNC(=O)c1cccnc1SC(C)C 62a_100000210206_100000159833 [0,0,0,0,0,1|3,0,0]=4 516 B14R1.744 CNC(=O)c1ncccc1OC(C)C 34a_100011376092_100000210206 [0,0,0,0,0,1|3,0,0]=4 517 B14R1.744 CNC(=O)c1ncccc1OC(C)C 7a_100011376092_100000210206 [0,0,0,0,0,1|3,0,0]=4 518 B14R1.744 COC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000148710 [0,0,0,0,0,1|1,0,0]=2 519 B14R1.744 COC(=O)c1ccccc1CC(=O)C 1458a_100000070787_100000744672 [0,0,0,0,0,1|2,0,0]=3 520 B14R1.744 COC(=O)c1ccccc1CC(=O)C 1458a_100000695166_200000210301 [0,0,0,0,0,1|2,0,0]=3 521 B14R1.744 COC(=O)c1ccccc1CC(=O)[13CH3] 1458a_100000695166_200025704644 [0,0,0,0,0,1|2,0,0]=3 522 B14R1.744 COC(=O)c1ccccc1CN(C)C 2230a_100102631434_100000744672 [0,0,0,0,0,1|0,0,0]=1 523 B14R1.744 COC(=O)c1ccccc1CN(C)C 269982a_100102631434_100000744672 [0,0,0,0,0,1|0,0,0]=1 524 B14R1.744 COC(=O)c1ccccc1OC(C)C 7a_100000150335_100000210206 [0,0,0,0,0,1|1,0,0]=2 525 B14R1.744 COC(=O)c1ccccc1SC(C)C 62a_100000148710_100000210206 [0,0,0,0,0,1|1,0,0]=2 526 B14R1.744 COC(=O)c1ccccc1SC(C)C 62a_100000210206_100000148710 [0,0,0,0,0,1|1,0,0]=2 527 B14R1.744 COC(=O)c1cccnc1C=C(C)C 271570a_100102525489_100000150852 [0,0,0,0,0,1|2,0,0]=3 528 B14R1.744 COC(=O)c1cccnc1CC(=O)C 1458a_100000070787_100000709840 [0,0,0,0,0,1|3,0,0]=4 529 B14R1.744 COC(=O)c1cccnc1CN(C)C 2230a_100102631434_100000709840 [0,0,0,0,0,1|1,0,0]=2 530 B14R1.744 COC(=O)c1cccnc1CN(C)C 269982a_100102631434_100012347567 [0,0,0,0,0,1|1,0,0]=2 531 B14R1.744 COC(=O)c1cccnc1NC(C)C 27a_100138425928_100000150852 [0,0,0,0,0,1|2,0,0]=3 532 B14R1.744 COC(=O)c1cccnc1SC(C)C 62a_100000210206_100000150852 [0,0,0,0,0,1|2,0,0]=3 533 B14R1.744 COC(=O)c1cccnc1SC(C)C 62a_100011587185_100000210206 [0,0,0,0,0,1|2,0,0]=3 534 B14R1.744 COC(=O)c1ccncc1C=C(C)C 271570a_100102525489_100010008606 [0,0,0,0,0,1|2,0,0]=3 535 B14R1.744 COC(=O)c1ccncc1SC(C)C 62a_100000210206_100010008606 [0,0,0,0,0,1|2,0,0]=3 536 B14R1.744 COC(=O)c1ccncc1SC(C)C 62a_100010008606_100000210206 [0,0,0,0,0,1|2,0,0]=3 537 B14R1.744 COC(=O)c1cnccc1C=C(C)C 271570a_100102525489_100020629055 [0,0,0,0,0,1|2,0,0]=3 538 B14R1.744 COC(=O)c1cnccc1SC(C)C 62a_100000210206_100020629055 [0,0,0,0,0,1|2,0,0]=3 539 B14R1.744 COC(=O)c1cnccc1SC(C)C 62a_100020629055_100000210206 [0,0,0,0,0,1|2,0,0]=3 540 B14R1.744 COC(=O)c1cncnc1C=C(C)C 271570a_100102525489_100000726419 [0,0,0,0,0,1|3,0,0]=4 541 B14R1.744 COC(=O)c1cncnc1NC(C)C 27a_100138425928_100000726419 [0,0,0,0,0,1|3,0,0]=4 542 B14R1.744 COC(=O)c1cncnc1SC(C)C 62a_100000210206_100000726419 [0,0,0,0,0,1|3,0,0]=4 543 B14R1.744 COC(=O)c1cncnc1SC(C)C 62a_100000726419_100000210206 [0,0,0,0,0,1|3,0,0]=4 544 B14R1.744 COC(=O)c1ncccc1C=C(C)C 271570a_100102525489_100011935214 [0,0,0,0,0,1|2,0,0]=3 545 B14R1.744 COC(=O)c1ncccc1CC(=O)C 1458a_100000070787_100010177730 [0,0,0,0,0,1|3,0,0]=4 546 B14R1.744 COC(=O)c1ncccc1CN(C)C 2230a_100102631434_100010177730 [0,0,0,0,0,1|1,0,0]=2 547 B14R1.744 COC(=O)c1ncccc1CN(C)C 269982a_100102631434_100010177730 [0,0,0,0,0,1|1,0,0]=2 548 B14R1.744 COC(=O)c1ncccc1OC(C)C 34a_100000744052_100000210206 [0,0,0,0,0,1|2,0,0]=3 549 B14R1.744 COC(=O)c1ncccc1OC(C)C 7a_100000744052_100000210206 [0,0,0,0,0,1|2,0,0]=3 550 B14R1.744 COC(=O)c1ncccc1SC(C)C 62a_100000210206_100011935214 [0,0,0,0,0,1|2,0,0]=3 551 B14R1.744 COC(=O)c1ncccc1SC(C)C 62a_100011935214_100000210206 [0,0,0,0,0,1|2,0,0]=3 552 B14R1.744 COC(=O)c1nccnc1C=C(C)C 271570a_100102525489_100000688410 [0,0,0,0,0,1|3,0,0]=4 553 B14R1.744 COC(=O)c1nccnc1NC(C)C 27a_100138425928_100000079898 [0,0,0,0,0,1|3,0,0]=4 554 B14R1.744 COC(=O)c1nccnc1SC(C)C 62a_100000210206_100000079898 [0,0,0,0,0,1|3,0,0]=4 555 B14R1.744 COC(=O)c1nccnc1SC(C)C 62a_100000688410_100000210206 [0,0,0,0,0,1|3,0,0]=4 556 B14R1.744 COC(=O)c1ncncc1C=C(C)C 271570a_100102525489_100012360100 [0,0,0,0,0,1|3,0,0]=4 557 B14R1.744 COC(=O)c1ncncc1SC(C)C 62a_100000210206_100012360100 [0,0,0,0,0,1|3,0,0]=4 558 B14R1.744 COC(=O)c1ncncc1SC(C)C 62a_100012360100_100000210206 [0,0,0,0,0,1|3,0,0]=4 559 B14R1.3302 C=C(C)c1ccccc1CC(=O)NC 271570a_100000694244_200009816160 [0,0,0,0,0,1|2,0,1]=4 560 B14R1.3302 C=C(C)c1ccccc1CC(=O)OC 271570a_100000694244_100000699816 [0,0,0,0,0,1|1,0,1]=3 561 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 11a_100000037685_100000210414 [0,0,0,0,0,1|2,0,1]=4 562 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 1626a_100000037685_100000210414 [0,0,0,0,0,1|2,0,1]=4 563 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 22a_100000037685_100000210414 [0,0,0,0,0,1|2,0,1]=4 564 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 271570a_100000694244_100000153536 [0,0,0,0,0,1|2,0,1]=4 565 B14R1.3302 C=C(C)c1ccccc1NC(=O)NC 2430a_100000037685_100102657272 [0,0,0,0,0,1|2,0,1]=4 566 B14R1.3302 C=C(C)c1ccccc1NC(=O)OC 271570a_100000694244_100000216184 [0,0,0,0,0,1|1,0,1]=3 567 B14R1.3302 C=C(C)c1cccnc1CC(=O)OC 271570a_100000694244_100012347948 [0,0,0,0,0,1|2,0,1]=4 568 B14R1.3302 C=C(C)c1ncccc1CC(=O)OC 271570a_100000694244_100010293180 [0,0,0,0,0,1|2,0,1]=4 569 B14R1.3302 C=CC(=O)Nc1ccccc1C(C)C 1626a_100000210643_100000185746 [0,0,0,0,0,1|2,0,1]=4 570 B14R1.3302 C=CC(=O)Nc1ccccc1C(C)C 22a_100000210643_100000185746 [0,0,0,0,0,1|2,0,1]=4 571 B14R1.3302 C=CC(=O)Nc1ccccc1N(C)C 1626a_100000737595_100000185746 [0,0,0,0,0,1|1,0,1]=3 572 B14R1.3302 C=CC(=O)Nc1ccccc1N(C)C 22a_100000737595_100000185746 [0,0,0,0,0,1|1,0,1]=3 573 B14R1.3302 CC(C)c1ccccc1NC(=O)CO 22a_100000210643_100000210174 [0,0,0,0,0,1|3,0,0]=4 574 B14R1.3302 CC(C)c1ccccc1NC(=O)CO 527a_100000210643_100000210174 [0,0,0,0,0,1|3,0,0]=4 575 B14R1.3302 CCC(=O)Cc1ncccc1C(C)C 1458a_100000210414_200134614246 [0,0,0,0,0,1|3,0,0]=4 576 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)C 1458a_100000194446_200000210301 [0,0,0,0,0,1|3,0,0]=4 577 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100000194446_200025704644 [0,0,0,0,0,1|3,0,0]=4 578 B14R1.3302 CCC(=O)Nc1ccccc1C(C)C 11a_100000210643_100000210414 [0,0,0,0,0,1|2,0,0]=3 579 B14R1.3302 CCC(=O)Nc1ccccc1C(C)C 1626a_100000210643_100000210414 [0,0,0,0,0,1|2,0,0]=3 580 B14R1.3302 CCC(=O)Nc1ccccc1C(C)C 22a_100000210643_100000210414 [0,0,0,0,0,1|2,0,0]=3 581 B14R1.3302 CCC(=O)Nc1ccccc1C(C)C 527a_100000210643_100000210414 [0,0,0,0,0,1|2,0,0]=3 582 B14R1.3302 CCC(=O)Nc1ccccc1N(C)C 11a_100000737595_100000210414 [0,0,0,0,0,1|1,0,0]=2 583 B14R1.3302 CCC(=O)Nc1ccccc1N(C)C 1626a_100000737595_100000210414 [0,0,0,0,0,1|1,0,0]=2 584 B14R1.3302 CCC(=O)Nc1ccccc1N(C)C 22a_100000737595_100000210414 [0,0,0,0,0,1|1,0,0]=2 585 B14R1.3302 CCC(=O)Nc1ccccc1N(C)C 527a_100000737595_100000210414 [0,0,0,0,0,1|1,0,0]=2 586 B14R1.3302 CCC(C)Sc1ccccc1N(C)C 62a_100000758301_100011290883 [0,0,0,0,0,1|2,0,1]=4 587 B14R1.3302 CCC(C)Sc1ccccc1N(C)C 62a_100011290883_100000758301 [0,0,0,0,0,1|2,0,1]=4 588 B14R1.3302 CN(C)c1ccccc1NC(=O)CO 22a_100000737595_100000210174 [0,0,0,0,0,1|2,0,0]=3 589 B14R1.3302 CN(C)c1ccccc1NC(=O)CO 527a_100000737595_100000210174 [0,0,0,0,0,1|2,0,0]=3 590 B14R1.3302 CNC(=O)Nc1ccccc1C(C)C 2430a_100000210643_100102657272 [0,0,0,0,0,1|2,0,0]=3 591 B14R1.3302 CNC(=O)Nc1ccccc1N(C)C 2430a_100000737595_100102657272 [0,0,0,0,0,1|1,0,0]=2 592 B14R1.3302 COC(=O)Cc1ccccc1C(=O)C 1458a_100000726341_200000210301 [0,0,0,0,0,1|2,0,0]=3 593 B14R1.3302 COC(=O)Cc1ccccc1C(=O)[13CH3] 1458a_100000726341_200025704644 [0,0,0,0,0,1|2,0,0]=3 594 B14R1.3302 COC(C)Sc1ccccc1C(C)C 62a_100000708600_100009879195 [0,0,0,0,0,1|2,0,1]=4 595 B14R1.3302 COC(C)Sc1ccccc1C(C)C 62a_100009879195_100000708600 [0,0,0,0,0,1|2,0,1]=4 596 B14R1.3302 COC(C)Sc1ccccc1N(C)C 62a_100009879195_100011290883 [0,0,0,0,0,1|1,0,1]=3 597 B14R1.3302 COC(C)Sc1ccccc1N(C)C 62a_100011290883_100009879195 [0,0,0,0,0,1|1,0,1]=3 598 B14R1.3302 COC(C)Sc1cccnc1N(C)C 62a_100009879195_100011465059 [0,0,0,0,0,1|2,0,1]=4 599 B14R1.3302 COC(C)Sc1cccnc1N(C)C 62a_100011465059_100009879195 [0,0,0,0,0,1|2,0,1]=4 600 B14R1.3302 COC(C)Sc1cnccc1N(C)C 62a_100009879195_100012355995 [0,0,0,0,0,1|2,0,1]=4 601 B14R1.3302 COC(C)Sc1cnccc1N(C)C 62a_100012355995_100009879195 [0,0,0,0,0,1|2,0,1]=4 602 B11R1.41 C/C=C/c1ccccc1OC 34a_200000189419_200000210301 [2,0,0,0,0,0|2,0,0]=4 603 B11R1.41 C/C=C/c1ccccc1OC 7a_200000189419_200000210301 [2,0,0,0,0,0|2,0,0]=4 604 B11R1.41 C/C=C/c1ccccc1O[13CH3] 34a_200000189419_200025704644 [2,0,0,0,0,0|2,0,0]=4 605 B11R1.41 C/C=C/c1ccccc1O[13CH3] 7a_200000189419_200025704644 [2,0,0,0,0,0|2,0,0]=4 606 B11R1.41 C=C=Cc1ccccc1NC 271570a_100015277604_100020606079 [2,0,0,0,0,0|1,0,1]=4 607 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [2,0,0,0,0,0|2,0,0]=4 608 B11R1.41 CC=Cc1ccccc1NC 271570a_100016259895_100020606079 [2,0,0,0,0,0|1,0,0]=3 609 B11R1.41 CC=Cc1ccccc1NN 271570a_100016259895_100000241748 [2,0,0,0,0,0|2,0,0]=4 610 B11R1.41 CC=Cc1ccccc1OC 271570a_100016259895_100000174000 [2,0,0,0,0,0|2,0,0]=4 611 B11R1.41 CC=Cc1ccccc1SC 271570a_100016259895_100011217816 [2,0,0,0,0,0|2,0,0]=4 612 B11R1.41 CC=Cc1cccnc1NC 271570a_100016259895_100000700899 [2,0,0,0,0,0|2,0,0]=4 613 B11R1.41 CC=Cc1cnccc1NC 271570a_100016259895_100010069531 [2,0,0,0,0,0|2,0,0]=4 614 B11R1.41 CC=Cc1ncccc1NC 271570a_100016259895_200011806188 [2,0,0,0,0,0|2,0,0]=4 615 B11R1.41 CCCc1ccccc1NC 2230a_100000737634_200000210301 [2,0,0,0,0,0|1,0,1]=4 616 B11R1.41 CCCc1ccccc1NC 34a_100000737634_200000210301 [2,0,0,0,0,0|1,0,1]=4 617 B11R1.41 CCCc1ccccc1NC 7a_100000737634_200000210301 [2,0,0,0,0,0|1,0,1]=4 618 B11R1.41 CCCc1ccccc1N[13CH3] 2230a_100000737634_200025704644 [2,0,0,0,0,0|1,0,1]=4 619 B11R1.41 CCCc1ccccc1N[13CH3] 34a_100000737634_200025704644 [2,0,0,0,0,0|1,0,1]=4 620 B11R1.41 CCCc1ccccc1N[13CH3] 7a_100000737634_200025704644 [2,0,0,0,0,0|1,0,1]=4 621 B11R1.41 CCOc1ccccc1NC 34a_100000033821_100000210202 [2,0,0,0,0,0|2,0,0]=4 622 B11R1.41 CCOc1ccccc1NC 34a_100000211218_200000210301 [2,0,0,0,0,0|2,0,0]=4 623 B11R1.41 CCOc1ccccc1N[13CH3] 34a_100000211218_200025704644 [2,0,0,0,0,0|2,0,0]=4 624 B11R1.41 CCSc1ccccc1NC 34a_100011223125_200000210301 [2,0,0,0,0,0|2,0,0]=4 625 B11R1.41 CCSc1ccccc1NC 62a_100000210202_100020606079 [2,0,0,0,0,0|2,0,0]=4 626 B11R1.41 CCSc1ccccc1NC 62a_100020606079_100000210202 [2,0,0,0,0,0|2,0,0]=4 627 B11R1.41 CCSc1ccccc1N[13CH3] 34a_100011223125_200025704644 [2,0,0,0,0,0|2,0,0]=4 628 B11R1.41 CCc1ccccc1COC 34a_100011663872_200000210301 [2,0,0,0,0,0|1,0,1]=4 629 B11R1.41 CCc1ccccc1COC 7a_100011663872_200000210301 [2,0,0,0,0,0|1,0,1]=4 630 B11R1.41 CCc1ccccc1CO[13CH3] 34a_100011663872_200025704644 [2,0,0,0,0,0|1,0,1]=4 631 B11R1.41 CCc1ccccc1CO[13CH3] 7a_100011663872_200025704644 [2,0,0,0,0,0|1,0,1]=4 632 B11R1.41 COCc1ccccc1OC 34a_100000211301_200000210301 [2,0,0,0,0,0|1,0,1]=4 633 B11R1.41 COCc1ccccc1OC 34a_100011488565_200000210301 [2,0,0,0,0,0|1,0,1]=4 634 B11R1.41 COCc1ccccc1OC 34a_100138415774_100000210004 [2,0,0,0,0,0|1,0,1]=4 635 B11R1.41 COCc1ccccc1OC 7a_100011488565_200000210301 [2,0,0,0,0,0|1,0,1]=4 636 B11R1.41 COCc1ccccc1O[13CH3] 34a_100011488565_200025704644 [2,0,0,0,0,0|1,0,1]=4 637 B11R1.41 COCc1ccccc1O[13CH3] 7a_100011488565_200025704644 [2,0,0,0,0,0|1,0,1]=4 638 B11R1.41 COCc1ccccc1SC 34a_100000699167_200000210301 [2,0,0,0,0,0|1,0,1]=4 639 B11R1.41 COCc1ccccc1SC 34a_100138415774_100000699184 [2,0,0,0,0,0|1,0,1]=4 640 B11R1.41 COCc1ccccc1SC 62a_100011493684_200000210301 [2,0,0,0,0,0|1,0,1]=4 641 B11R1.41 COCc1ccccc1SC 62a_200000210301_100011493684 [2,0,0,0,0,0|1,0,1]=4 642 B11R1.41 COCc1ccccc1S[13CH3] 62a_100011493684_200025704644 [2,0,0,0,0,0|1,0,1]=4 643 B11R1.41 COCc1ccccc1S[13CH3] 62a_200025704644_100011493684 [2,0,0,0,0,0|1,0,1]=4 644 B11R1.41 COc1ccccc1CO[13CH3] 34a_100000211301_200025704644 [2,0,0,0,0,0|1,0,1]=4 645 B11R1.41 CSc1ccccc1CO[13CH3] 34a_100000699167_200025704644 [2,0,0,0,0,0|1,0,1]=4 646 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [2,0,0,0,0,0|1,0,1]=4 647 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [2,0,0,0,0,0|1,0,1]=4 648 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [2,0,0,0,0,0|1,0,1]=4 649 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [2,0,0,0,0,0|2,0,0]=4 650 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [2,0,0,0,0,0|1,0,0]=3 651 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [2,0,0,0,0,0|1,0,0]=3 652 B11R1.53 C=C(C)c1ccccc1NN 271570a_100000694244_100000241748 [2,0,0,0,0,0|2,0,0]=4 653 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [2,0,0,0,0,0|1,0,0]=3 654 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [2,0,0,0,0,0|1,0,1]=4 655 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [2,0,0,0,0,0|2,0,0]=4 656 B11R1.53 C=C(C)c1cccnc1NC 271570a_100000694244_100000700899 [2,0,0,0,0,0|2,0,0]=4 657 B11R1.53 C=C(C)c1cnccc1NC 271570a_100000694244_100010069531 [2,0,0,0,0,0|2,0,0]=4 658 B11R1.53 C=C(C)c1ncccc1NC 271570a_100000694244_200011806188 [2,0,0,0,0,0|2,0,0]=4 659 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [2,0,0,0,0,0|1,0,1]=4 660 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [2,0,0,0,0,0|1,0,1]=4 661 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [2,0,0,0,0,0|1,0,1]=4 662 B11R1.53 C=Cc1ccccc1C(C)C 271570a_100011290941_100011218076 [2,0,0,0,0,0|1,0,1]=4 663 B11R1.53 C=Cc1ccccc1N(C)C 271570a_100011290941_100011290883 [2,0,0,0,0,0|0,0,1]=3 664 B11R1.53 C=Cc1cccnc1N(C)C 271570a_100011290941_100011465059 [2,0,0,0,0,0|1,0,1]=4 665 B11R1.53 C=Cc1cnccc1N(C)C 271570a_100011290941_100012355995 [2,0,0,0,0,0|1,0,1]=4 666 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [2,0,0,0,0,0|2,0,0]=4 667 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [2,0,0,0,0,0|2,0,0]=4 668 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [2,0,0,0,0,0|2,0,0]=4 669 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [2,0,0,0,0,0|1,0,0]=3 670 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [2,0,0,0,0,0|2,0,0]=4 671 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [2,0,0,0,0,0|2,0,0]=4 672 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [2,0,0,0,0,0|2,0,0]=4 673 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [2,0,0,0,0,0|2,0,0]=4 674 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [2,0,0,0,0,0|2,0,0]=4 675 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [2,0,0,0,0,0|2,0,0]=4 676 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [2,0,0,0,0,0|2,0,0]=4 677 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [2,0,0,0,0,0|2,0,0]=4 678 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [2,0,0,0,0,0|2,0,0]=4 679 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [2,0,0,0,0,0|2,0,0]=4 680 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [2,0,0,0,0,0|2,0,0]=4 681 B11R1.53 CC(C)c1ccccc1N[13CH3] 2230a_100000210643_200025704644 [2,0,0,0,0,0|1,0,1]=4 682 B11R1.53 CC(C)c1ccccc1N[13CH3] 34a_100000210643_200025704644 [2,0,0,0,0,0|1,0,1]=4 683 B11R1.53 CC(C)c1ccccc1N[13CH3] 7a_100000210643_200025704644 [2,0,0,0,0,0|1,0,1]=4 684 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [2,0,0,0,0,0|1,0,0]=3 685 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [2,0,0,0,0,0|1,0,0]=3 686 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_100000708600_200025704644 [2,0,0,0,0,0|1,1,0]=4 687 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_200025704644_100000708600 [2,0,0,0,0,0|1,1,0]=4 688 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [2,0,0,0,0,0|2,0,0]=4 689 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [2,0,0,0,0,0|2,0,0]=4 690 B11R1.53 CC(O)c1ccccc1N[13CH3] 2230a_100011405641_200025704644 [2,0,0,0,0,0|0,0,2]=4 691 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [2,0,0,0,0,0|2,0,0]=4 692 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [2,0,0,0,0,0|2,0,0]=4 693 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [2,0,0,0,0,0|1,0,0]=3 694 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [2,0,0,0,0,0|1,0,0]=3 695 B11R1.53 CN(C)c1ccccc1C#N 2230a_100000744078_200000210301 [2,0,0,0,0,0|1,0,1]=4 696 B11R1.53 CN(C)c1ccccc1C#N 269982a_100000744078_200000210301 [2,0,0,0,0,0|1,0,1]=4 697 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_100011290883_200025704644 [2,0,0,0,0,0|0,1,0]=3 698 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_200025704644_100011290883 [2,0,0,0,0,0|0,1,0]=3 699 B11R1.53 CN(C)c1ccncc1CO 27a_100102631434_100000117392 [2,0,0,0,0,0|1,0,1]=4 700 B11R1.53 CN(C)c1ccncc1S[13CH3] 62a_100012355995_200025704644 [2,0,0,0,0,0|1,1,0]=4 701 B11R1.53 CN(C)c1ccncc1S[13CH3] 62a_200025704644_100012355995 [2,0,0,0,0,0|1,1,0]=4 702 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_100011465059_200025704644 [2,0,0,0,0,0|1,1,0]=4 703 B11R1.53 CN(C)c1ncccc1S[13CH3] 62a_200025704644_100011465059 [2,0,0,0,0,0|1,1,0]=4 704 B11R1.53 CN([13CH3])c1ccccc1C#N 2230a_100000744078_200025704644 [2,0,0,0,0,0|1,0,1]=4 705 B11R1.53 CN([13CH3])c1ccccc1C#N 269982a_100000744078_200025704644 [2,0,0,0,0,0|1,0,1]=4 706 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [2,0,0,0,0,0|1,0,0]=3 707 B11R1.53 CNc1ccccc1C(C)C 2230a_100000210643_200000210301 [2,0,0,0,0,0|1,0,1]=4 708 B11R1.53 CNc1ccccc1C(C)C 34a_100000210643_200000210301 [2,0,0,0,0,0|1,0,1]=4 709 B11R1.53 CNc1ccccc1C(C)C 7a_100000210643_200000210301 [2,0,0,0,0,0|1,0,1]=4 710 B11R1.53 CNc1ccccc1C(C)O 2230a_100011405641_200000210301 [2,0,0,0,0,0|0,0,2]=4 711 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [2,0,0,0,0,0|2,0,0]=4 712 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [2,0,0,0,0,0|1,0,0]=3 713 B11R1.53 CNc1ccncc1C(=O)N 27a_100102657272_100000697804 [2,0,0,0,0,0|2,0,0]=4 714 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [2,0,0,0,0,0|1,0,0]=3 715 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [2,0,0,0,0,0|2,0,0]=4 716 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [2,0,0,0,0,0|2,0,0]=4 717 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [2,0,0,0,0,0|1,0,0]=3 718 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [2,0,0,0,0,0|2,0,0]=4 719 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [2,0,0,0,0,0|2,0,0]=4 720 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [2,0,0,0,0,0|1,0,0]=3 721 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [2,0,0,0,0,0|1,0,1]=4 722 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [2,0,0,0,0,0|1,0,0]=3 723 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [2,0,0,0,0,0|1,0,0]=3 724 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [2,0,0,0,0,0|2,0,0]=4 725 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [2,0,0,0,0,0|2,0,0]=4 726 B11R1.53 COc1ccccc1N(C)C 2230a_100000219746_200000210301 [2,0,0,0,0,0|0,0,0]=2 727 B11R1.53 COc1ccccc1N(C)C 269982a_100000219746_200000210301 [2,0,0,0,0,0|0,0,0]=2 728 B11R1.53 COc1ccccc1N(C)C 34a_100000219746_200000210301 [2,0,0,0,0,0|0,0,0]=2 729 B11R1.53 COc1ccccc1N(C)[13CH3] 2230a_100000219746_200025704644 [2,0,0,0,0,0|0,0,0]=2 730 B11R1.53 COc1ccccc1N(C)[13CH3] 269982a_100000219746_200025704644 [2,0,0,0,0,0|0,0,0]=2 731 B11R1.53 COc1ccccc1N(C)[13CH3] 34a_100000219746_200025704644 [2,0,0,0,0,0|0,0,0]=2 732 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [2,0,0,0,0,0|2,0,0]=4 733 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [2,0,0,0,0,0|2,0,0]=4 734 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [2,0,0,0,0,0|2,0,0]=4 735 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [2,0,0,0,0,0|2,0,0]=4 736 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [2,0,0,0,0,0|2,0,0]=4 737 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [2,0,0,0,0,0|2,0,0]=4 738 B11R1.53 COc1cncnc1N(C)C 27a_100102631434_100012001275 [2,0,0,0,0,0|2,0,0]=4 739 B11R1.53 COc1nccnc1N(C)C 27a_100102631434_100009858322 [2,0,0,0,0,0|2,0,0]=4 740 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [2,0,0,0,0,0|2,0,0]=4 741 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [2,0,0,0,0,0|1,0,0]=3 742 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [2,0,0,0,0,0|1,0,0]=3 743 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [2,0,0,0,0,0|2,0,0]=4 744 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [2,0,0,0,0,0|2,0,0]=4 745 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [2,0,0,0,0,0|1,0,0]=3 746 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [2,0,0,0,0,0|1,0,0]=3 747 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [2,0,0,0,0,0|1,0,0]=3 748 B11R1.53 CSc1ccccc1C(C)C 62a_100000708600_200000210301 [2,0,0,0,0,0|1,1,0]=4 749 B11R1.53 CSc1ccccc1C(C)C 62a_200000210301_100000708600 [2,0,0,0,0,0|1,1,0]=4 750 B11R1.53 CSc1ccccc1N(C)C 62a_100011290883_200000210301 [2,0,0,0,0,0|0,1,0]=3 751 B11R1.53 CSc1ccccc1N(C)C 62a_200000210301_100011290883 [2,0,0,0,0,0|0,1,0]=3 752 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [2,0,0,0,0,0|2,0,0]=4 753 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [2,0,0,0,0,0|2,0,0]=4 754 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [2,0,0,0,0,0|2,0,0]=4 755 B11R1.53 CSc1cccnc1N(C)C 62a_100011465059_200000210301 [2,0,0,0,0,0|1,1,0]=4 756 B11R1.53 CSc1cccnc1N(C)C 62a_200000210301_100011465059 [2,0,0,0,0,0|1,1,0]=4 757 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [2,0,0,0,0,0|2,0,0]=4 758 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [2,0,0,0,0,0|2,0,0]=4 759 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [2,0,0,0,0,0|2,0,0]=4 760 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [2,0,0,0,0,0|2,0,0]=4 761 B11R1.53 CSc1cnccc1N(C)C 62a_100012355995_200000210301 [2,0,0,0,0,0|1,1,0]=4 762 B11R1.53 CSc1cnccc1N(C)C 62a_200000210301_100012355995 [2,0,0,0,0,0|1,1,0]=4 763 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [2,0,0,0,0,0|2,0,0]=4 764 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [2,0,0,0,0,0|2,0,0]=4 765 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [2,0,0,0,0,0|2,0,0]=4 766 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [2,0,0,0,0,0|2,0,0]=4 767 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [2,0,0,0,0,0|2,0,0]=4 768 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [2,0,0,0,0,0|2,0,0]=4 769 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [2,0,0,0,0,0|1,0,0]=3 770 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [2,0,0,0,0,0|2,0,0]=4 771 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [2,0,0,0,0,0|2,0,0]=4 772 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [2,0,0,0,0,0|1,0,1]=4 773 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [2,0,0,0,0,0|2,0,0]=4 774 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [2,0,0,0,0,0|2,0,0]=4 775 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [2,0,0,0,0,0|1,0,0]=3 776 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [2,0,0,0,0,0|1,0,0]=3 777 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [2,0,0,0,0,0|1,0,1]=4 778 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [2,0,0,0,0,0|2,0,0]=4 779 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [2,0,0,0,0,0|1,0,0]=3 780 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [2,0,0,0,0,0|2,0,0]=4 781 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [2,0,0,0,0,0|2,0,0]=4 782 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [2,0,0,0,0,0|2,0,0]=4 783 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [2,0,0,0,0,0|2,0,0]=4 784 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [2,0,0,0,0,0|2,0,0]=4 785 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [2,0,0,0,0,0|2,0,0]=4 786 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [2,0,0,0,0,0|2,0,0]=4 787 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [2,0,0,0,0,0|2,0,0]=4 788 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [2,0,0,0,0,0|2,0,0]=4 789 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [2,0,0,0,0,0|1,0,0]=3 790 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [2,0,0,0,0,0|1,0,0]=3 791 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [2,0,0,0,0,0|1,0,0]=3 792 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [2,0,0,0,0,0|1,0,0]=3 793 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [2,0,0,0,0,0|2,0,0]=4 794 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [2,0,0,0,0,0|2,0,0]=4 795 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [2,0,0,0,0,0|2,0,0]=4 796 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [2,0,0,0,0,0|2,0,0]=4 797 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [2,0,0,0,0,0|2,0,0]=4 798 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [2,0,0,0,0,0|2,0,0]=4 799 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [2,0,0,0,0,0|2,0,0]=4 800 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [2,0,0,0,0,0|2,0,0]=4 801 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [2,0,0,0,0,0|2,0,0]=4 802 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [2,0,0,0,0,0|2,0,0]=4 803 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [2,0,0,0,0,0|2,0,0]=4 804 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [2,0,0,0,0,0|2,0,0]=4 805 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [2,0,0,0,0,0|2,0,0]=4 806 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [2,0,0,0,0,0|2,0,0]=4 807 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [2,0,0,0,0,0|2,0,0]=4 808 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [2,0,0,0,0,0|2,0,0]=4 809 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [2,0,0,0,0,0|2,0,0]=4 810 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [2,0,0,0,0,0|1,0,0]=3 811 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [2,0,0,0,0,0|2,0,0]=4 812 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [2,0,0,0,0,0|2,0,0]=4 813 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [2,0,0,0,0,0|2,0,0]=4 814 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [2,0,0,0,0,0|2,0,0]=4 815 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [2,0,0,0,0,0|1,0,1]=4 816 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [2,0,0,0,0,0|1,0,1]=4 817 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [2,0,0,0,0,0|1,0,1]=4 818 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [2,0,0,0,0,0|2,0,0]=4 819 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [2,0,0,0,0,0|1,0,1]=4 820 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [2,0,0,0,0,0|1,0,1]=4 821 B13R1.89 CCc1ccccc1C(=O)C(C)C 1458a_100000689120_100000210206 [1,1,0,0,0,0|2,0,0]=4 822 B13R1.89 CCc1ccccc1C(=O)N(C)C 11a_100102631434_100000689120 [1,1,0,0,0,0|2,0,0]=4 823 B13R1.89 CCc1ccccc1C(=O)N(C)C 1626a_100102631434_100000689120 [1,1,0,0,0,0|2,0,0]=4 824 B13R1.89 CCc1ccccc1C(=O)N(C)C 240690a_100102631434_100000689120 [1,1,0,0,0,0|2,0,0]=4 825 B13R1.89 CCc1ccccc1C(=O)N(C)C 527a_100102631434_100000689120 [1,1,0,0,0,0|2,0,0]=4 826 B13R1.89 CN(C)C(=O)c1ccccc1N[13CH3] 34a_100000188421_200025704644 [1,1,0,0,0,0|1,0,0]=3 827 B13R1.89 CN(C)C(=O)c1ccccc1O[13CH3] 34a_100000192106_200025704644 [1,1,0,0,0,0|2,0,0]=4 828 B13R1.89 CN(C)C(=O)c1ccccc1O[13CH3] 7a_100000192106_200025704644 [1,1,0,0,0,0|2,0,0]=4 829 B13R1.89 CN(C)C(=O)c1ccccc1S[13CH3] 62a_100000159526_200025704644 [1,1,0,0,0,0|2,0,0]=4 830 B13R1.89 CN(C)C(=O)c1ccccc1S[13CH3] 62a_200025704644_100000159526 [1,1,0,0,0,0|2,0,0]=4 831 B13R1.89 CNc1ccccc1C(=C(C)C)C 271570a_200000049429_100020606079 [1,1,0,0,0,0|2,0,0]=4 832 B13R1.89 CNc1ccccc1C(=O)N(C)C 34a_100000188421_200000210301 [1,1,0,0,0,0|1,0,0]=3 833 B13R1.89 CNc1ncccc1C(=O)N(C)C 27a_100102657272_100000159563 [1,1,0,0,0,0|2,0,0]=4 834 B13R1.89 COc1ccccc1C(=O)C(C)C 1458a_100000185835_100000210206 [1,1,0,0,0,0|2,0,0]=4 835 B13R1.89 COc1ccccc1C(=O)N(C)C 11a_100102631434_100000185835 [1,1,0,0,0,0|2,0,0]=4 836 B13R1.89 COc1ccccc1C(=O)N(C)C 1626a_100102631434_100000185835 [1,1,0,0,0,0|2,0,0]=4 837 B13R1.89 COc1ccccc1C(=O)N(C)C 240690a_100102631434_100000185835 [1,1,0,0,0,0|2,0,0]=4 838 B13R1.89 COc1ccccc1C(=O)N(C)C 34a_100000192106_200000210301 [1,1,0,0,0,0|2,0,0]=4 839 B13R1.89 COc1ccccc1C(=O)N(C)C 527a_100102631434_100000185835 [1,1,0,0,0,0|2,0,0]=4 840 B13R1.89 COc1ccccc1C(=O)N(C)C 7a_100000192106_200000210301 [1,1,0,0,0,0|2,0,0]=4 841 B13R1.89 CSc1ccccc1C(=O)C(C)C 1458a_100000183967_100000210206 [1,1,0,0,0,0|2,0,0]=4 842 B13R1.89 CSc1ccccc1C(=O)N(C)C 11a_100102631434_100000183967 [1,1,0,0,0,0|2,0,0]=4 843 B13R1.89 CSc1ccccc1C(=O)N(C)C 1626a_100102631434_100000183967 [1,1,0,0,0,0|2,0,0]=4 844 B13R1.89 CSc1ccccc1C(=O)N(C)C 240690a_100102631434_100000183967 [1,1,0,0,0,0|2,0,0]=4 845 B13R1.89 CSc1ccccc1C(=O)N(C)C 527a_100102631434_100000183967 [1,1,0,0,0,0|2,0,0]=4 846 B13R1.89 CSc1ccccc1C(=O)N(C)C 62a_100000159526_200000210301 [1,1,0,0,0,0|2,0,0]=4 847 B13R1.89 CSc1ccccc1C(=O)N(C)C 62a_200000210301_100000159526 [1,1,0,0,0,0|2,0,0]=4 848 B13R1.107 C=Cc1c(cccc1C(=O)OC)Br 271570a_100011290941_100010150843 [1,1,0,0,0,0|1,0,1]=4 849 B13R1.107 C=Cc1c(cccc1C(=O)OC)C 271570a_100011290941_100012002529 [1,1,0,0,0,0|1,0,1]=4 850 B13R1.107 C=Cc1c(cccc1C(=O)OC)F 271570a_100011290941_100012357630 [1,1,0,0,0,0|1,0,1]=4 851 B13R1.107 C=Cc1c(cccc1C(=O)OC)N 271570a_100011290941_100000719424 [1,1,0,0,0,0|1,0,1]=4 852 B13R1.107 C=Cc1c(cccc1C(=O)OC)O 271570a_100011290941_200010230364 [1,1,0,0,0,0|1,0,1]=4 853 B13R1.107 CCC(=O)c1cccc(c1CC)Br 1458a_100010125490_100000210202 [1,1,0,0,0,0|2,0,0]=4 854 B13R1.107 CCC(=O)c1cccc(c1OC)Br 1458a_100000689802_100000210202 [1,1,0,0,0,0|2,0,0]=4 855 B13R1.107 CCC(=O)c1cccc(c1OC)C 1458a_100000187929_100000210202 [1,1,0,0,0,0|2,0,0]=4 856 B13R1.107 CCC(=O)c1cccc(c1OC)Cl 1458a_100011934004_100000210202 [1,1,0,0,0,0|2,0,0]=4 857 B13R1.107 CCC(=O)c1cccc(c1OC)F 1458a_100011218433_100000210202 [1,1,0,0,0,0|2,0,0]=4 858 B13R1.107 CCC(=O)c1cccc(c1OC)O 1458a_100000080799_100000210202 [1,1,0,0,0,0|2,0,0]=4 859 B13R1.107 CCc1c(cccc1C(=O)NC)Br 11a_106832991635_100010125490 [1,1,0,0,0,0|2,0,0]=4 860 B13R1.107 CCc1c(cccc1C(=O)NC)Br 1626a_100102657272_100010125490 [1,1,0,0,0,0|2,0,0]=4 861 B13R1.107 CCc1c(cccc1C(=O)NC)Br 240690a_100102657272_100010125490 [1,1,0,0,0,0|2,0,0]=4 862 B13R1.107 CCc1c(cccc1C(=O)NC)Br 527a_100102657272_100010125490 [1,1,0,0,0,0|2,0,0]=4 863 B13R1.107 CNC(=O)c1cccc(c1NC)C 34a_100000223168_200000210301 [1,1,0,0,0,0|1,0,0]=3 864 B13R1.107 CNC(=O)c1cccc(c1NC)Cl 34a_200012181065_200000210301 [1,1,0,0,0,0|1,0,0]=3 865 B13R1.107 CNC(=O)c1cccc(c1N[13CH3])C 34a_100000223168_200025704644 [1,1,0,0,0,0|1,0,0]=3 866 B13R1.107 CNC(=O)c1cccc(c1N[13CH3])Cl 34a_200012181065_200025704644 [1,1,0,0,0,0|1,0,0]=3 867 B13R1.107 CNC(=O)c1cccc(c1OC)Br 11a_106832991635_100000689802 [1,1,0,0,0,0|2,0,0]=4 868 B13R1.107 CNC(=O)c1cccc(c1OC)Br 1626a_100102657272_100000689802 [1,1,0,0,0,0|2,0,0]=4 869 B13R1.107 CNC(=O)c1cccc(c1OC)Br 240690a_100102657272_100000689802 [1,1,0,0,0,0|2,0,0]=4 870 B13R1.107 CNC(=O)c1cccc(c1OC)Br 527a_100102657272_100000689802 [1,1,0,0,0,0|2,0,0]=4 871 B13R1.107 CNC(=O)c1cccc(c1OC)C 11a_106832991635_100000187929 [1,1,0,0,0,0|2,0,0]=4 872 B13R1.107 CNC(=O)c1cccc(c1OC)C 1626a_100102657272_100000187929 [1,1,0,0,0,0|2,0,0]=4 873 B13R1.107 CNC(=O)c1cccc(c1OC)C 240690a_100102657272_100000187929 [1,1,0,0,0,0|2,0,0]=4 874 B13R1.107 CNC(=O)c1cccc(c1OC)C 527a_100102657272_100000187929 [1,1,0,0,0,0|2,0,0]=4 875 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 11a_106832991635_100011934004 [1,1,0,0,0,0|2,0,0]=4 876 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 1626a_100102657272_100011934004 [1,1,0,0,0,0|2,0,0]=4 877 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 240690a_100102657272_100011934004 [1,1,0,0,0,0|2,0,0]=4 878 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 527a_100102657272_100011934004 [1,1,0,0,0,0|2,0,0]=4 879 B13R1.107 CNC(=O)c1cccc(c1OC)F 11a_106832991635_100011218433 [1,1,0,0,0,0|2,0,0]=4 880 B13R1.107 CNC(=O)c1cccc(c1OC)F 1626a_100102657272_100011218433 [1,1,0,0,0,0|2,0,0]=4 881 B13R1.107 CNC(=O)c1cccc(c1OC)F 240690a_100102657272_100011218433 [1,1,0,0,0,0|2,0,0]=4 882 B13R1.107 CNC(=O)c1cccc(c1OC)F 527a_100102657272_100011218433 [1,1,0,0,0,0|2,0,0]=4 883 B13R1.107 COC(=O)c1cccc(c1C#N)O 271570a_203496583355_100000766541 [1,1,0,0,0,0|2,0,0]=4 884 B13R1.107 COC(=O)c1cccc(c1OC)Br 34a_100009816214_200000210301 [1,1,0,0,0,0|1,0,0]=3 885 B13R1.107 COC(=O)c1cccc(c1OC)C 34a_100000149854_200000210301 [1,1,0,0,0,0|1,0,0]=3 886 B13R1.107 COC(=O)c1cccc(c1OC)C 7a_100000149854_200000210301 [1,1,0,0,0,0|1,0,0]=3 887 B13R1.107 COC(=O)c1cccc(c1OC)Cl 34a_100000074923_200000210301 [1,1,0,0,0,0|1,0,0]=3 888 B13R1.107 COC(=O)c1cccc(c1OC)Cl 7a_100000074923_200000210301 [1,1,0,0,0,0|1,0,0]=3 889 B13R1.107 COC(=O)c1cccc(c1OC)F 34a_100000082593_200000210301 [1,1,0,0,0,0|1,0,0]=3 890 B13R1.107 COC(=O)c1cccc(c1OC)F 7a_100000082593_200000210301 [1,1,0,0,0,0|1,0,0]=3 891 B13R1.107 COC(=O)c1cccc(c1OC)N 34a_100000750886_200000210301 [1,1,0,0,0,0|1,0,0]=3 892 B13R1.107 COC(=O)c1cccc(c1OC)O 271570a_203496583355_100010233336 [1,1,0,0,0,0|1,0,0]=3 893 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Br 34a_100009816214_200025704644 [1,1,0,0,0,0|1,0,0]=3 894 B13R1.107 COC(=O)c1cccc(c1O[13CH3])C 34a_100000149854_200025704644 [1,1,0,0,0,0|1,0,0]=3 895 B13R1.107 COC(=O)c1cccc(c1O[13CH3])C 7a_100000149854_200025704644 [1,1,0,0,0,0|1,0,0]=3 896 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Cl 34a_100000074923_200025704644 [1,1,0,0,0,0|1,0,0]=3 897 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Cl 7a_100000074923_200025704644 [1,1,0,0,0,0|1,0,0]=3 898 B13R1.107 COC(=O)c1cccc(c1O[13CH3])F 34a_100000082593_200025704644 [1,1,0,0,0,0|1,0,0]=3 899 B13R1.107 COC(=O)c1cccc(c1O[13CH3])F 7a_100000082593_200025704644 [1,1,0,0,0,0|1,0,0]=3 900 B13R1.107 COC(=O)c1cccc(c1O[13CH3])N 34a_100000750886_200025704644 [1,1,0,0,0,0|1,0,0]=3 901 B13R1.107 COC(=O)c1cccc(c1SC)Br 62a_100010150843_200000210301 [1,1,0,0,0,0|1,0,0]=3 902 B13R1.107 COC(=O)c1cccc(c1SC)Br 62a_200000210301_100010150843 [1,1,0,0,0,0|1,0,0]=3 903 B13R1.107 COC(=O)c1cccc(c1SC)C 62a_100012002529_200000210301 [1,1,0,0,0,0|1,0,0]=3 904 B13R1.107 COC(=O)c1cccc(c1SC)C 62a_200000210301_100012002529 [1,1,0,0,0,0|1,0,0]=3 905 B13R1.107 COC(=O)c1cccc(c1SC)F 62a_100012357630_200000210301 [1,1,0,0,0,0|1,0,0]=3 906 B13R1.107 COC(=O)c1cccc(c1SC)F 62a_200000210301_100012357630 [1,1,0,0,0,0|1,0,0]=3 907 B13R1.107 COC(=O)c1cccc(c1SC)N 62a_100000719424_200000210301 [1,1,0,0,0,0|1,0,0]=3 908 B13R1.107 COC(=O)c1cccc(c1SC)O 62a_200000210301_200010230364 [1,1,0,0,0,0|1,0,0]=3 909 B13R1.107 COC(=O)c1cccc(c1SC)O 62a_200010230364_200000210301 [1,1,0,0,0,0|1,0,0]=3 910 B13R1.107 COC(=O)c1cccc(c1S[13CH3])Br 62a_100010150843_200025704644 [1,1,0,0,0,0|1,0,0]=3 911 B13R1.107 COC(=O)c1cccc(c1S[13CH3])Br 62a_200025704644_100010150843 [1,1,0,0,0,0|1,0,0]=3 912 B13R1.107 COC(=O)c1cccc(c1S[13CH3])C 62a_100012002529_200025704644 [1,1,0,0,0,0|1,0,0]=3 913 B13R1.107 COC(=O)c1cccc(c1S[13CH3])C 62a_200025704644_100012002529 [1,1,0,0,0,0|1,0,0]=3 914 B13R1.107 COC(=O)c1cccc(c1S[13CH3])F 62a_100012357630_200025704644 [1,1,0,0,0,0|1,0,0]=3 915 B13R1.107 COC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012357630 [1,1,0,0,0,0|1,0,0]=3 916 B13R1.107 COC(=O)c1cccc(c1S[13CH3])N 62a_100000719424_200025704644 [1,1,0,0,0,0|1,0,0]=3 917 B13R1.107 COC(=O)c1cccc(c1S[13CH3])O 62a_200010230364_200025704644 [1,1,0,0,0,0|1,0,0]=3 918 B13R1.107 COC(=O)c1cccc(c1S[13CH3])O 62a_200025704644_200010230364 [1,1,0,0,0,0|1,0,0]=3 919 B13R1.382 C=C=Cc1ccccc1C(=O)OC 271570a_100015277604_100000148710 [1,1,0,0,0,0|1,0,1]=4 920 B13R1.382 CC=Cc1ccccc1C(=O)NC 271570a_100016259895_100000155073 [1,1,0,0,0,0|2,0,0]=4 921 B13R1.382 CC=Cc1ccccc1C(=O)OC 271570a_100016259895_100000148710 [1,1,0,0,0,0|1,0,0]=3 922 B13R1.382 CC=Cc1cccnc1C(=O)OC 271570a_100016259895_100011935214 [1,1,0,0,0,0|2,0,0]=4 923 B13R1.382 CC=Cc1ccncc1C(=O)OC 271570a_100016259895_100020629055 [1,1,0,0,0,0|2,0,0]=4 924 B13R1.382 CC=Cc1cnccc1C(=O)OC 271570a_100016259895_100010008606 [1,1,0,0,0,0|2,0,0]=4 925 B13R1.382 CC=Cc1ncccc1C(=O)OC 271570a_100016259895_100000150852 [1,1,0,0,0,0|2,0,0]=4 926 B13R1.382 CCC(=O)c1ccccc1COC 1458a_100000737999_100000210202 [1,1,0,0,0,0|2,0,0]=4 927 B13R1.382 CCC(=O)c1ccccc1OCF 7a_100000184720_100015361967 [1,1,0,0,0,0|2,0,0]=4 928 B13R1.382 CCNc1ccccc1C(=O)NC 27a_100015525214_100000155073 [1,1,0,0,0,0|1,0,0]=3 929 B13R1.382 CCNc1ccccc1C(=O)NC 34a_100000185696_100000210202 [1,1,0,0,0,0|1,0,0]=3 930 B13R1.382 CCNc1ncccc1C(=O)NC 27a_100015525214_100000159833 [1,1,0,0,0,0|2,0,0]=4 931 B13R1.382 CCNc1ncccc1C(=O)OC 27a_100015525214_100000150852 [1,1,0,0,0,0|1,0,0]=3 932 B13R1.382 CCNc1nccnc1C(=O)OC 27a_100015525214_100000079898 [1,1,0,0,0,0|2,0,0]=4 933 B13R1.382 CCNc1ncncc1C(=O)OC 27a_100015525214_100000726419 [1,1,0,0,0,0|2,0,0]=4 934 B13R1.382 CCOc1ccccc1C(=O)CC 1458a_100000211144_100000210202 [1,1,0,0,0,0|2,0,0]=4 935 B13R1.382 CCOc1ccccc1C(=O)CC 7a_100000184720_100000210202 [1,1,0,0,0,0|2,0,0]=4 936 B13R1.382 CCOc1ccccc1C(=O)NC 11a_106832991635_100000211144 [1,1,0,0,0,0|2,0,0]=4 937 B13R1.382 CCOc1ccccc1C(=O)NC 1626a_100102657272_100000211144 [1,1,0,0,0,0|2,0,0]=4 938 B13R1.382 CCOc1ccccc1C(=O)NC 240690a_100102657272_100000211144 [1,1,0,0,0,0|2,0,0]=4 939 B13R1.382 CCOc1ccccc1C(=O)NC 34a_100000185920_100000210202 [1,1,0,0,0,0|2,0,0]=4 940 B13R1.382 CCOc1ccccc1C(=O)NC 527a_100102657272_100000211144 [1,1,0,0,0,0|2,0,0]=4 941 B13R1.382 CCOc1ccccc1C(=O)NC 7a_100000185920_100000210202 [1,1,0,0,0,0|2,0,0]=4 942 B13R1.382 CCOc1ccccc1C(=O)OC 7a_100000150335_100000210202 [1,1,0,0,0,0|1,0,0]=3 943 B13R1.382 CCOc1cccnc1C(=O)OC 34a_100000744052_100000210202 [1,1,0,0,0,0|2,0,0]=4 944 B13R1.382 CCOc1cccnc1C(=O)OC 7a_100000744052_100000210202 [1,1,0,0,0,0|2,0,0]=4 945 B13R1.382 CCSc1ccccc1C(=O)CC 1458a_100000195471_100000210202 [1,1,0,0,0,0|2,0,0]=4 946 B13R1.382 CCSc1ccccc1C(=O)NC 11a_106832991635_100000195471 [1,1,0,0,0,0|2,0,0]=4 947 B13R1.382 CCSc1ccccc1C(=O)NC 1626a_100102657272_100000195471 [1,1,0,0,0,0|2,0,0]=4 948 B13R1.382 CCSc1ccccc1C(=O)NC 240690a_100102657272_100000195471 [1,1,0,0,0,0|2,0,0]=4 949 B13R1.382 CCSc1ccccc1C(=O)NC 527a_100102657272_100000195471 [1,1,0,0,0,0|2,0,0]=4 950 B13R1.382 CCSc1ccccc1C(=O)NC 62a_100000155073_100000210202 [1,1,0,0,0,0|2,0,0]=4 951 B13R1.382 CCSc1ccccc1C(=O)NC 62a_100000210202_100000155073 [1,1,0,0,0,0|2,0,0]=4 952 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000148710_100000210202 [1,1,0,0,0,0|1,0,0]=3 953 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000210202_100000148710 [1,1,0,0,0,0|1,0,0]=3 954 B13R1.382 CCSc1ccccc1C(=O)O[Na] 62a_100000210202_114855342371 [1,1,0,0,0,0|2,0,0]=4 955 B13R1.382 CCSc1cccnc1C(=O)OC 62a_100000210202_100011935214 [1,1,0,0,0,0|2,0,0]=4 956 B13R1.382 CCSc1cccnc1C(=O)OC 62a_100011935214_100000210202 [1,1,0,0,0,0|2,0,0]=4 957 B13R1.382 CCSc1ccncc1C(=O)OC 62a_100000210202_100020629055 [1,1,0,0,0,0|2,0,0]=4 958 B13R1.382 CCSc1ccncc1C(=O)OC 62a_100020629055_100000210202 [1,1,0,0,0,0|2,0,0]=4 959 B13R1.382 CCSc1cnccc1C(=O)OC 62a_100000210202_100010008606 [1,1,0,0,0,0|2,0,0]=4 960 B13R1.382 CCSc1cnccc1C(=O)OC 62a_100010008606_100000210202 [1,1,0,0,0,0|2,0,0]=4 961 B13R1.382 CCSc1ncccc1C(=O)OC 62a_100000210202_100000150852 [1,1,0,0,0,0|2,0,0]=4 962 B13R1.382 CCSc1ncccc1C(=O)OC 62a_100011587185_100000210202 [1,1,0,0,0,0|2,0,0]=4 963 B13R1.382 CNC(=O)c1ccccc1COC 11a_106832991635_100000737999 [1,1,0,0,0,0|2,0,0]=4 964 B13R1.382 CNC(=O)c1ccccc1COC 1626a_100102657272_100000737999 [1,1,0,0,0,0|2,0,0]=4 965 B13R1.382 CNC(=O)c1ccccc1COC 240690a_100102657272_100000737999 [1,1,0,0,0,0|2,0,0]=4 966 B13R1.382 CNC(=O)c1ccccc1COC 34a_100009855793_200000210301 [1,1,0,0,0,0|2,0,0]=4 967 B13R1.382 CNC(=O)c1ccccc1COC 527a_100102657272_100000737999 [1,1,0,0,0,0|2,0,0]=4 968 B13R1.382 CNC(=O)c1ccccc1COC 7a_100009855793_200000210301 [1,1,0,0,0,0|2,0,0]=4 969 B13R1.382 CNC(=O)c1ccccc1CO[13CH3] 34a_100009855793_200025704644 [1,1,0,0,0,0|2,0,0]=4 970 B13R1.382 CNC(=O)c1ccccc1CO[13CH3] 7a_100009855793_200025704644 [1,1,0,0,0,0|2,0,0]=4 971 B13R1.382 CNC(=O)c1ccccc1NCF 34a_100000185696_100015361967 [1,1,0,0,0,0|1,0,0]=3 972 B13R1.382 CNC(=O)c1ccccc1OCF 34a_100000185920_100015361967 [1,1,0,0,0,0|2,0,0]=4 973 B13R1.382 CNC(=O)c1ccccc1OCF 7a_100000185920_100015361967 [1,1,0,0,0,0|2,0,0]=4 974 B13R1.382 CNC(=O)c1ccccc1SCF 62a_100000155073_100015361967 [1,1,0,0,0,0|2,0,0]=4 975 B13R1.382 CNC(=O)c1ccccc1SCF 62a_100015361967_100000155073 [1,1,0,0,0,0|2,0,0]=4 976 B13R1.382 CNCc1ccccc1C(=O)OC 2230a_106832991635_100000744672 [1,1,0,0,0,0|0,0,0]=2 977 B13R1.382 CNCc1ccccc1C(=O)OC 34a_100102657272_100000744672 [1,1,0,0,0,0|0,0,0]=2 978 B13R1.382 CNCc1ccccc1C(=O)OC 7a_106832991635_100000744672 [1,1,0,0,0,0|0,0,0]=2 979 B13R1.382 CNCc1cccnc1C(=O)OC 2230a_106832991635_100010177730 [1,1,0,0,0,0|1,0,0]=3 980 B13R1.382 CNCc1cccnc1C(=O)OC 34a_100102657272_100010177730 [1,1,0,0,0,0|1,0,0]=3 981 B13R1.382 CNCc1cccnc1C(=O)OC 7a_106832991635_100010177730 [1,1,0,0,0,0|1,0,0]=3 982 B13R1.382 CNCc1ncccc1C(=O)OC 2230a_106832991635_100000709840 [1,1,0,0,0,0|1,0,0]=3 983 B13R1.382 CNCc1ncccc1C(=O)OC 34a_100102657272_100012347567 [1,1,0,0,0,0|1,0,0]=3 984 B13R1.382 CNCc1ncccc1C(=O)OC 7a_106832991635_100000709840 [1,1,0,0,0,0|1,0,0]=3 985 B13R1.382 COC(=O)c1ccccc1CSC 62a_100000744672_200000210301 [1,1,0,0,0,0|1,0,0]=3 986 B13R1.382 COC(=O)c1ccccc1CSC 62a_200000210301_100000744672 [1,1,0,0,0,0|1,0,0]=3 987 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_100000744672_200025704644 [1,1,0,0,0,0|1,0,0]=3 988 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_200025704644_100000744672 [1,1,0,0,0,0|1,0,0]=3 989 B13R1.382 COC(=O)c1ccccc1OCF 7a_100000150335_100015361967 [1,1,0,0,0,0|1,0,0]=3 990 B13R1.382 COC(=O)c1ccccc1SCF 62a_100000148710_100015361967 [1,1,0,0,0,0|1,0,0]=3 991 B13R1.382 COC(=O)c1ccccc1SCF 62a_100015361967_100000148710 [1,1,0,0,0,0|1,0,0]=3 992 B13R1.382 COC(=O)c1cccnc1CSC 62a_100000709840_200000210301 [1,1,0,0,0,0|2,0,0]=4 993 B13R1.382 COC(=O)c1cccnc1CSC 62a_200000210301_100000709840 [1,1,0,0,0,0|2,0,0]=4 994 B13R1.382 COC(=O)c1cccnc1CS[13CH3] 62a_100000709840_200025704644 [1,1,0,0,0,0|2,0,0]=4 995 B13R1.382 COC(=O)c1cccnc1CS[13CH3] 62a_200025704644_100000709840 [1,1,0,0,0,0|2,0,0]=4 996 B13R1.382 COC(=O)c1cccnc1SCF 62a_100011587185_100015361967 [1,1,0,0,0,0|2,0,0]=4 997 B13R1.382 COC(=O)c1cccnc1SCF 62a_100015361967_100000150852 [1,1,0,0,0,0|2,0,0]=4 998 B13R1.382 COC(=O)c1ccncc1SCF 62a_100010008606_100015361967 [1,1,0,0,0,0|2,0,0]=4 999 B13R1.382 COC(=O)c1ccncc1SCF 62a_100015361967_100010008606 [1,1,0,0,0,0|2,0,0]=4 1000 B13R1.382 COC(=O)c1cnccc1SCF 62a_100015361967_100020629055 [1,1,0,0,0,0|2,0,0]=4 1001 B13R1.382 COC(=O)c1cnccc1SCF 62a_100020629055_100015361967 [1,1,0,0,0,0|2,0,0]=4 1002 B13R1.382 COC(=O)c1ncccc1CSC 62a_100010177730_200000210301 [1,1,0,0,0,0|2,0,0]=4 1003 B13R1.382 COC(=O)c1ncccc1CSC 62a_200000210301_100010177730 [1,1,0,0,0,0|2,0,0]=4 1004 B13R1.382 COC(=O)c1ncccc1CS[13CH3] 62a_100010177730_200025704644 [1,1,0,0,0,0|2,0,0]=4 1005 B13R1.382 COC(=O)c1ncccc1CS[13CH3] 62a_200025704644_100010177730 [1,1,0,0,0,0|2,0,0]=4 1006 B13R1.382 COC(=O)c1ncccc1OCF 34a_100000744052_100015361967 [1,1,0,0,0,0|2,0,0]=4 1007 B13R1.382 COC(=O)c1ncccc1OCF 7a_100000744052_100015361967 [1,1,0,0,0,0|2,0,0]=4 1008 B13R1.382 COC(=O)c1ncccc1SCF 62a_100011935214_100015361967 [1,1,0,0,0,0|2,0,0]=4 1009 B13R1.382 COC(=O)c1ncccc1SCF 62a_100015361967_100011935214 [1,1,0,0,0,0|2,0,0]=4 1010 B13R1.382 COCc1ccccc1C(=O)OC 34a_100138415774_100000744672 [1,1,0,0,0,0|1,0,0]=3 1011 B13R1.382 COCc1cccnc1C(=O)OC 34a_100138415774_100010177730 [1,1,0,0,0,0|2,0,0]=4 1012 B13R1.382 COCc1ncccc1C(=O)OC 34a_100138415774_100012347567 [1,1,0,0,0,0|2,0,0]=4 1013 B13R1.382 O=C(O[Na])c1ccccc1SCF 62a_100015361967_114855342371 [1,1,0,0,0,0|2,0,0]=4 1014 B13R1.464 C=COC(=O)c1ccccc1SC 62a_200000036168_200000210301 [1,1,0,0,0,0|1,0,1]=4 1015 B13R1.464 C=COC(=O)c1ccccc1SC 62a_200000210301_200000036168 [1,1,0,0,0,0|1,0,1]=4 1016 B13R1.464 C=COC(=O)c1ccccc1S[13CH3] 62a_200000036168_200025704644 [1,1,0,0,0,0|1,0,1]=4 1017 B13R1.464 C=COC(=O)c1ccccc1S[13CH3] 62a_200025704644_200000036168 [1,1,0,0,0,0|1,0,1]=4 1018 B13R1.464 C=Cc1ccccc1C(=O)OCC 271570a_100011290941_100000169879 [1,1,0,0,0,0|1,0,1]=4 1019 B13R1.464 CCCC(=O)c1ccccc1CC 1458a_100000689120_100000210303 [1,1,0,0,0,0|2,0,0]=4 1020 B13R1.464 CCCC(=O)c1ccccc1OC 1458a_100000185835_100000210303 [1,1,0,0,0,0|2,0,0]=4 1021 B13R1.464 CCCC(=O)c1ccccc1OC 34a_200000073644_200000210301 [1,1,0,0,0,0|2,0,0]=4 1022 B13R1.464 CCCC(=O)c1ccccc1OC 7a_200000073644_200000210301 [1,1,0,0,0,0|2,0,0]=4 1023 B13R1.464 CCCC(=O)c1ccccc1O[13CH3] 34a_200000073644_200025704644 [1,1,0,0,0,0|2,0,0]=4 1024 B13R1.464 CCCC(=O)c1ccccc1O[13CH3] 7a_200000073644_200025704644 [1,1,0,0,0,0|2,0,0]=4 1025 B13R1.464 CCCC(=O)c1ccccc1SC 1458a_100000183967_100000210303 [1,1,0,0,0,0|2,0,0]=4 1026 B13R1.464 CCNC(=O)c1ccccc1CC 11a_100015525214_100000689120 [1,1,0,0,0,0|2,0,0]=4 1027 B13R1.464 CCNC(=O)c1ccccc1CC 240690a_100015525214_100000689120 [1,1,0,0,0,0|2,0,0]=4 1028 B13R1.464 CCNC(=O)c1ccccc1CC 527a_100015525214_100000689120 [1,1,0,0,0,0|2,0,0]=4 1029 B13R1.464 CCNC(=O)c1ccccc1NC 27a_100102657272_200000155173 [1,1,0,0,0,0|1,0,0]=3 1030 B13R1.464 CCNC(=O)c1ccccc1NC 34a_100000205978_200000210301 [1,1,0,0,0,0|1,0,0]=3 1031 B13R1.464 CCNC(=O)c1ccccc1N[13CH3] 34a_100000205978_200025704644 [1,1,0,0,0,0|1,0,0]=3 1032 B13R1.464 CCNC(=O)c1ccccc1OC 11a_100015525214_100000185835 [1,1,0,0,0,0|2,0,0]=4 1033 B13R1.464 CCNC(=O)c1ccccc1OC 240690a_100015525214_100000185835 [1,1,0,0,0,0|2,0,0]=4 1034 B13R1.464 CCNC(=O)c1ccccc1OC 34a_100000192205_200000210301 [1,1,0,0,0,0|2,0,0]=4 1035 B13R1.464 CCNC(=O)c1ccccc1OC 527a_100015525214_100000185835 [1,1,0,0,0,0|2,0,0]=4 1036 B13R1.464 CCNC(=O)c1ccccc1OC 7a_100000192205_200000210301 [1,1,0,0,0,0|2,0,0]=4 1037 B13R1.464 CCNC(=O)c1ccccc1O[13CH3] 34a_100000192205_200025704644 [1,1,0,0,0,0|2,0,0]=4 1038 B13R1.464 CCNC(=O)c1ccccc1O[13CH3] 7a_100000192205_200025704644 [1,1,0,0,0,0|2,0,0]=4 1039 B13R1.464 CCNC(=O)c1ccccc1SC 11a_100015525214_100000183967 [1,1,0,0,0,0|2,0,0]=4 1040 B13R1.464 CCNC(=O)c1ccccc1SC 240690a_100015525214_100000183967 [1,1,0,0,0,0|2,0,0]=4 1041 B13R1.464 CCNC(=O)c1ccccc1SC 527a_100015525214_100000183967 [1,1,0,0,0,0|2,0,0]=4 1042 B13R1.464 CCNC(=O)c1ccccc1SC 62a_200000155173_200000210301 [1,1,0,0,0,0|2,0,0]=4 1043 B13R1.464 CCNC(=O)c1ccccc1SC 62a_200000210301_200000155173 [1,1,0,0,0,0|2,0,0]=4 1044 B13R1.464 CCNC(=O)c1ccccc1S[13CH3] 62a_200000155173_200025704644 [1,1,0,0,0,0|2,0,0]=4 1045 B13R1.464 CCNC(=O)c1ccccc1S[13CH3] 62a_200025704644_200000155173 [1,1,0,0,0,0|2,0,0]=4 1046 B13R1.464 CCNC(=O)c1cccnc1NC 27a_100102657272_100000160120 [1,1,0,0,0,0|2,0,0]=4 1047 B13R1.464 CCOC(=O)c1ccccc1OC 7a_100000169922_200000210301 [1,1,0,0,0,0|1,0,0]=3 1048 B13R1.464 CCOC(=O)c1ccccc1O[13CH3] 7a_100000169922_200025704644 [1,1,0,0,0,0|1,0,0]=3 1049 B13R1.464 CCOC(=O)c1ccccc1SC 62a_100000169876_200000210301 [1,1,0,0,0,0|1,0,0]=3 1050 B13R1.464 CCOC(=O)c1ccccc1SC 62a_200000210301_100000169879 [1,1,0,0,0,0|1,0,0]=3 1051 B13R1.464 CCOC(=O)c1ccccc1S[13CH3] 62a_100000169876_200025704644 [1,1,0,0,0,0|1,0,0]=3 1052 B13R1.464 CCOC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000169879 [1,1,0,0,0,0|1,0,0]=3 1053 B13R1.464 CCOC(=O)c1cccnc1NC 27a_100102657272_100000170124 [1,1,0,0,0,0|1,0,0]=3 1054 B13R1.464 CCOC(=O)c1cccnc1SC 62a_100011291640_200000210301 [1,1,0,0,0,0|2,0,0]=4 1055 B13R1.464 CCOC(=O)c1cccnc1SC 62a_200000210301_100000170124 [1,1,0,0,0,0|2,0,0]=4 1056 B13R1.464 CCOC(=O)c1cccnc1S[13CH3] 62a_100011291640_200025704644 [1,1,0,0,0,0|2,0,0]=4 1057 B13R1.464 CCOC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000170124 [1,1,0,0,0,0|2,0,0]=4 1058 B13R1.464 CCOC(=O)c1ccncc1SC 62a_100010238393_200000210301 [1,1,0,0,0,0|2,0,0]=4 1059 B13R1.464 CCOC(=O)c1ccncc1SC 62a_200000210301_100010238393 [1,1,0,0,0,0|2,0,0]=4 1060 B13R1.464 CCOC(=O)c1ccncc1S[13CH3] 62a_100010238393_200025704644 [1,1,0,0,0,0|2,0,0]=4 1061 B13R1.464 CCOC(=O)c1ccncc1S[13CH3] 62a_200025704644_100010238393 [1,1,0,0,0,0|2,0,0]=4 1062 B13R1.464 CCOC(=O)c1cnccc1NC 27a_100102657272_100016987518 [1,1,0,0,0,0|1,0,0]=3 1063 B13R1.464 CCOC(=O)c1cnccc1SC 62a_200000210301_100016987518 [1,1,0,0,0,0|2,0,0]=4 1064 B13R1.464 CCOC(=O)c1cnccc1S[13CH3] 62a_200025704644_100016987518 [1,1,0,0,0,0|2,0,0]=4 1065 B13R1.464 CCOC(=O)c1cncnc1NC 27a_100102657272_100011998183 [1,1,0,0,0,0|2,0,0]=4 1066 B13R1.464 CCOC(=O)c1ncccc1OC 7a_200011376064_200000210301 [1,1,0,0,0,0|2,0,0]=4 1067 B13R1.464 CCOC(=O)c1ncccc1O[13CH3] 7a_200011376064_200025704644 [1,1,0,0,0,0|2,0,0]=4 1068 B13R1.464 CCOC(=O)c1ncccc1SC 62a_100012351660_200000210301 [1,1,0,0,0,0|2,0,0]=4 1069 B13R1.464 CCOC(=O)c1ncccc1SC 62a_200000210301_100012351660 [1,1,0,0,0,0|2,0,0]=4 1070 B13R1.464 CCOC(=O)c1ncccc1S[13CH3] 62a_100012351660_200025704644 [1,1,0,0,0,0|2,0,0]=4 1071 B13R1.464 CCOC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012351660 [1,1,0,0,0,0|2,0,0]=4 1072 B13R1.464 CCOC(=O)c1nccnc1NC 27a_100102657272_100000085455 [1,1,0,0,0,0|2,0,0]=4 1073 B13R1.464 CCOC(=O)c1ncncc1NC 27a_100102657272_100012344254 [1,1,0,0,0,0|2,0,0]=4 1074 B13R1.464 CCc1ccccc1C(=O)CCF 1458a_100000689120_100011217306 [1,1,0,0,0,0|2,0,0]=4 1075 B13R1.464 CCc1ccccc1C(=O)CCO 1458a_100000689120_100000211926 [1,1,0,0,0,0|2,0,0]=4 1076 B13R1.464 CCc1ccccc1C(=O)NNC 22a_100016993582_100000689120 [1,1,0,0,0,0|2,0,0]=4 1077 B13R1.464 CNCC(=O)c1ccccc1OC 34a_100102657272_100000195505 [1,1,0,0,0,0|2,0,0]=4 1078 B13R1.464 CNCC(=O)c1ccccc1OC 7a_106832991635_100000195505 [1,1,0,0,0,0|2,0,0]=4 1079 B13R1.464 CNNC(=O)c1ccccc1OC 22a_100016993582_100000185835 [1,1,0,0,0,0|2,0,0]=4 1080 B13R1.464 CNNC(=O)c1ccccc1SC 22a_100016993582_100000183967 [1,1,0,0,0,0|2,0,0]=4 1081 B13R1.464 CNc1ccccc1C(=O)NOC 34a_100011599994_200000210301 [1,1,0,0,0,0|0,0,0]=2 1082 B13R1.464 COCC(=O)c1ccccc1OC 34a_100138415774_100000195505 [1,1,0,0,0,0|1,0,0]=3 1083 B13R1.464 CONC(=O)c1ccccc1N[13CH3] 34a_100011599994_200025704644 [1,1,0,0,0,0|0,0,0]=2 1084 B13R1.464 COc1ccccc1C(=O)CCCl 7a_100009873196_200000210301 [1,1,0,0,0,0|2,0,0]=4 1085 B13R1.464 COc1ccccc1C(=O)CCF 1458a_100000185835_100011217306 [1,1,0,0,0,0|2,0,0]=4 1086 B13R1.464 COc1ccccc1C(=O)CCO 1458a_100000185835_100000211926 [1,1,0,0,0,0|2,0,0]=4 1087 B13R1.464 COc1ccccc1C(=O)CSC 62a_100000195505_200000210301 [1,1,0,0,0,0|1,1,0]=4 1088 B13R1.464 COc1ccccc1C(=O)CS[13CH3] 62a_100000195505_200025704644 [1,1,0,0,0,0|1,1,0]=4 1089 B13R1.464 CSc1ccccc1C(=O)CCF 1458a_100000183967_100011217306 [1,1,0,0,0,0|2,0,0]=4 1090 B13R1.464 CSc1ccccc1C(=O)CCO 1458a_100000183967_100000211926 [1,1,0,0,0,0|2,0,0]=4 1091 B13R1.464 [13CH3]Oc1ccccc1C(=O)CCCl 7a_100009873196_200025704644 [1,1,0,0,0,0|2,0,0]=4 1092 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)Br 271570a_100011290941_100000701758 [1,1,0,0,0,0|1,0,1]=4 1093 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)C 271570a_100011290941_100012340597 [1,1,0,0,0,0|1,0,1]=4 1094 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)Cl 271570a_100011290941_100000047510 [1,1,0,0,0,0|1,0,1]=4 1095 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)F 271570a_100011290941_100000204356 [1,1,0,0,0,0|1,0,1]=4 1096 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)N 271570a_100011290941_100009998378 [1,1,0,0,0,0|1,0,1]=4 1097 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)O 271570a_100011290941_100010150825 [1,1,0,0,0,0|1,0,1]=4 1098 B13R1.2065 CCC(=O)c1ccc(cc1CC)Br 1458a_200012349896_100000210202 [1,1,0,0,0,0|2,0,0]=4 1099 B13R1.2065 CCC(=O)c1ccc(cc1NC)C 27a_100102657272_200012349623 [1,1,0,0,0,0|1,0,0]=3 1100 B13R1.2065 CCC(=O)c1ccc(cc1OC)Br 1458a_100000748230_100000210202 [1,1,0,0,0,0|2,0,0]=4 1101 B13R1.2065 CCC(=O)c1ccc(cc1OC)C 1458a_100000217210_100000210202 [1,1,0,0,0,0|2,0,0]=4 1102 B13R1.2065 CCC(=O)c1ccc(cc1OC)Cl 1458a_100000217211_100000210202 [1,1,0,0,0,0|2,0,0]=4 1103 B13R1.2065 CCC(=O)c1ccc(cc1OC)F 1458a_100000239970_100000210202 [1,1,0,0,0,0|2,0,0]=4 1104 B13R1.2065 CCC(=O)c1ccc(cc1OC)I 1458a_100012353712_100000210202 [1,1,0,0,0,0|2,0,0]=4 1105 B13R1.2065 CCC(=O)c1ccc(cc1SC)C 62a_200000210301_200012349623 [1,1,0,0,0,0|2,0,0]=4 1106 B13R1.2065 CCC(=O)c1ccc(cc1SC)C 62a_200012349623_200000210301 [1,1,0,0,0,0|2,0,0]=4 1107 B13R1.2065 CCC(=O)c1ccc(cc1S[13CH3])C 62a_200012349623_200025704644 [1,1,0,0,0,0|2,0,0]=4 1108 B13R1.2065 CCC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_200012349623 [1,1,0,0,0,0|2,0,0]=4 1109 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 11a_106832991635_200012349896 [1,1,0,0,0,0|2,0,0]=4 1110 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 1626a_100102657272_200012349896 [1,1,0,0,0,0|2,0,0]=4 1111 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 240690a_100102657272_200012349896 [1,1,0,0,0,0|2,0,0]=4 1112 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 527a_100102657272_200012349896 [1,1,0,0,0,0|2,0,0]=4 1113 B13R1.2065 CNC(=O)c1ccc(cc1NC)Cl 34a_100000742614_200000210301 [1,1,0,0,0,0|1,0,0]=3 1114 B13R1.2065 CNC(=O)c1ccc(cc1NC)F 27a_100102657272_200000206206 [1,1,0,0,0,0|1,0,0]=3 1115 B13R1.2065 CNC(=O)c1ccc(cc1N[13CH3])Cl 34a_100000742614_200025704644 [1,1,0,0,0,0|1,0,0]=3 1116 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 11a_106832991635_100000748230 [1,1,0,0,0,0|2,0,0]=4 1117 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 1626a_100102657272_100000748230 [1,1,0,0,0,0|2,0,0]=4 1118 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 240690a_100102657272_100000748230 [1,1,0,0,0,0|2,0,0]=4 1119 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 527a_100102657272_100000748230 [1,1,0,0,0,0|2,0,0]=4 1120 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 11a_106832991635_100000217210 [1,1,0,0,0,0|2,0,0]=4 1121 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 1626a_100102657272_100000217210 [1,1,0,0,0,0|2,0,0]=4 1122 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 240690a_100102657272_100000217210 [1,1,0,0,0,0|2,0,0]=4 1123 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 527a_100102657272_100000217210 [1,1,0,0,0,0|2,0,0]=4 1124 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 11a_106832991635_100000217211 [1,1,0,0,0,0|2,0,0]=4 1125 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 1626a_100102657272_100000217211 [1,1,0,0,0,0|2,0,0]=4 1126 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 240690a_100102657272_100000217211 [1,1,0,0,0,0|2,0,0]=4 1127 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 527a_100102657272_100000217211 [1,1,0,0,0,0|2,0,0]=4 1128 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 11a_106832991635_100000239970 [1,1,0,0,0,0|2,0,0]=4 1129 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 1626a_100102657272_100000239970 [1,1,0,0,0,0|2,0,0]=4 1130 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 240690a_100102657272_100000239970 [1,1,0,0,0,0|2,0,0]=4 1131 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 527a_100102657272_100000239970 [1,1,0,0,0,0|2,0,0]=4 1132 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 11a_106832991635_100012353712 [1,1,0,0,0,0|2,0,0]=4 1133 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 1626a_100102657272_100012353712 [1,1,0,0,0,0|2,0,0]=4 1134 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 240690a_100102657272_100012353712 [1,1,0,0,0,0|2,0,0]=4 1135 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 527a_100102657272_100012353712 [1,1,0,0,0,0|2,0,0]=4 1136 B13R1.2065 CNC(=O)c1ccc(cc1OC)N 34a_100000223174_200000210301 [1,1,0,0,0,0|2,0,0]=4 1137 B13R1.2065 CNC(=O)c1ccc(cc1OC)N 7a_100000223174_200000210301 [1,1,0,0,0,0|2,0,0]=4 1138 B13R1.2065 CNC(=O)c1ccc(cc1O[13CH3])N 34a_100000223174_200025704644 [1,1,0,0,0,0|2,0,0]=4 1139 B13R1.2065 CNC(=O)c1ccc(cc1O[13CH3])N 7a_100000223174_200025704644 [1,1,0,0,0,0|2,0,0]=4 1140 B13R1.2065 CNC(=O)c1ccc(cc1SC)F 62a_200000206206_200000210301 [1,1,0,0,0,0|2,0,0]=4 1141 B13R1.2065 CNC(=O)c1ccc(cc1SC)F 62a_200000210301_200000206206 [1,1,0,0,0,0|2,0,0]=4 1142 B13R1.2065 CNC(=O)c1ccc(cc1S[13CH3])F 62a_200000206206_200025704644 [1,1,0,0,0,0|2,0,0]=4 1143 B13R1.2065 CNC(=O)c1ccc(cc1S[13CH3])F 62a_200025704644_200000206206 [1,1,0,0,0,0|2,0,0]=4 1144 B13R1.2065 CNc1cc(ccc1C(=O)NN)F 27a_100102657272_100000203923 [1,1,0,0,0,0|2,0,0]=4 1145 B13R1.2065 CNc1cc(ccc1C(=O)OC)O 271570a_203496583355_200160487225 [1,1,0,0,0,0|0,0,0]=2 1146 B13R1.2065 CNc1cc(ncc1C(=O)OC)C 27a_100102657272_100011998247 [1,1,0,0,0,0|1,0,0]=3 1147 B13R1.2065 CNc1nc(cnc1C(=O)OC)C 27a_100102657272_100000099855 [1,1,0,0,0,0|2,0,0]=4 1148 B13R1.2065 CNc1nc(ncc1C(=O)OC)N 27a_100102657272_100010277515 [1,1,0,0,0,0|2,0,0]=4 1149 B13R1.2065 COC(=O)c1ccc(cc1C#N)O 271570a_203496583355_100010150794 [1,1,0,0,0,0|2,0,0]=4 1150 B13R1.2065 COC(=O)c1ccc(cc1C=O)O 271570a_203496583355_100010732994 [1,1,0,0,0,0|2,0,0]=4 1151 B13R1.2065 COC(=O)c1ccc(cc1OC)Br 34a_100000699699_200000210301 [1,1,0,0,0,0|1,0,0]=3 1152 B13R1.2065 COC(=O)c1ccc(cc1OC)Br 7a_100000699699_200000210301 [1,1,0,0,0,0|1,0,0]=3 1153 B13R1.2065 COC(=O)c1ccc(cc1OC)C 34a_100000148187_200000210301 [1,1,0,0,0,0|1,0,0]=3 1154 B13R1.2065 COC(=O)c1ccc(cc1OC)C 7a_100000148187_200000210301 [1,1,0,0,0,0|1,0,0]=3 1155 B13R1.2065 COC(=O)c1ccc(cc1OC)Cl 34a_100000151441_200000210301 [1,1,0,0,0,0|1,0,0]=3 1156 B13R1.2065 COC(=O)c1ccc(cc1OC)Cl 7a_100000151441_200000210301 [1,1,0,0,0,0|1,0,0]=3 1157 B13R1.2065 COC(=O)c1ccc(cc1OC)F 34a_100011216117_200000210301 [1,1,0,0,0,0|1,0,0]=3 1158 B13R1.2065 COC(=O)c1ccc(cc1OC)F 7a_100011216117_200000210301 [1,1,0,0,0,0|1,0,0]=3 1159 B13R1.2065 COC(=O)c1ccc(cc1OC)I 7a_100000062286_200000210301 [1,1,0,0,0,0|1,0,0]=3 1160 B13R1.2065 COC(=O)c1ccc(cc1OC)N 34a_100000718744_200000210301 [1,1,0,0,0,0|1,0,0]=3 1161 B13R1.2065 COC(=O)c1ccc(cc1OC)N 7a_100000718744_200000210301 [1,1,0,0,0,0|1,0,0]=3 1162 B13R1.2065 COC(=O)c1ccc(cc1OC)O 271570a_203496583355_100000708095 [1,1,0,0,0,0|1,0,0]=3 1163 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Br 34a_100000699699_200025704644 [1,1,0,0,0,0|1,0,0]=3 1164 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Br 7a_100000699699_200025704644 [1,1,0,0,0,0|1,0,0]=3 1165 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])C 34a_100000148187_200025704644 [1,1,0,0,0,0|1,0,0]=3 1166 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])C 7a_100000148187_200025704644 [1,1,0,0,0,0|1,0,0]=3 1167 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000151441_200025704644 [1,1,0,0,0,0|1,0,0]=3 1168 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000151441_200025704644 [1,1,0,0,0,0|1,0,0]=3 1169 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])F 34a_100011216117_200025704644 [1,1,0,0,0,0|1,0,0]=3 1170 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])F 7a_100011216117_200025704644 [1,1,0,0,0,0|1,0,0]=3 1171 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])I 7a_100000062286_200025704644 [1,1,0,0,0,0|1,0,0]=3 1172 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])N 34a_100000718744_200025704644 [1,1,0,0,0,0|1,0,0]=3 1173 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])N 7a_100000718744_200025704644 [1,1,0,0,0,0|1,0,0]=3 1174 B13R1.2065 COC(=O)c1ccc(cc1SC)Br 62a_100000701758_200000210301 [1,1,0,0,0,0|1,0,0]=3 1175 B13R1.2065 COC(=O)c1ccc(cc1SC)C 62a_100012340597_200000210301 [1,1,0,0,0,0|1,0,0]=3 1176 B13R1.2065 COC(=O)c1ccc(cc1SC)C 62a_200000210301_100012340597 [1,1,0,0,0,0|1,0,0]=3 1177 B13R1.2065 COC(=O)c1ccc(cc1SC)Cl 62a_100000047510_200000210301 [1,1,0,0,0,0|1,0,0]=3 1178 B13R1.2065 COC(=O)c1ccc(cc1SC)Cl 62a_200000210301_100000047510 [1,1,0,0,0,0|1,0,0]=3 1179 B13R1.2065 COC(=O)c1ccc(cc1SC)F 62a_100000204356_200000210301 [1,1,0,0,0,0|1,0,0]=3 1180 B13R1.2065 COC(=O)c1ccc(cc1SC)F 62a_200000210301_100000204356 [1,1,0,0,0,0|1,0,0]=3 1181 B13R1.2065 COC(=O)c1ccc(cc1SC)N 62a_100009998378_200000210301 [1,1,0,0,0,0|1,0,0]=3 1182 B13R1.2065 COC(=O)c1ccc(cc1SC)N 62a_200000210301_100010150747 [1,1,0,0,0,0|1,0,0]=3 1183 B13R1.2065 COC(=O)c1ccc(cc1SC)O 62a_100010150825_200000210301 [1,1,0,0,0,0|1,0,0]=3 1184 B13R1.2065 COC(=O)c1ccc(cc1SC)O 62a_200000210301_100010150825 [1,1,0,0,0,0|1,0,0]=3 1185 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])Br 62a_100000701758_200025704644 [1,1,0,0,0,0|1,0,0]=3 1186 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])C 62a_100012340597_200025704644 [1,1,0,0,0,0|1,0,0]=3 1187 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012340597 [1,1,0,0,0,0|1,0,0]=3 1188 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])Cl 62a_100000047510_200025704644 [1,1,0,0,0,0|1,0,0]=3 1189 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])Cl 62a_200025704644_100000047510 [1,1,0,0,0,0|1,0,0]=3 1190 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])F 62a_100000204356_200025704644 [1,1,0,0,0,0|1,0,0]=3 1191 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])F 62a_200025704644_100000204356 [1,1,0,0,0,0|1,0,0]=3 1192 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])N 62a_100009998378_200025704644 [1,1,0,0,0,0|1,0,0]=3 1193 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])N 62a_200025704644_100010150747 [1,1,0,0,0,0|1,0,0]=3 1194 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])O 62a_100010150825_200025704644 [1,1,0,0,0,0|1,0,0]=3 1195 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])O 62a_200025704644_100010150825 [1,1,0,0,0,0|1,0,0]=3 1196 B13R1.2065 COC(=O)c1ccc(nc1OC)O 271570a_203496583355_100000703831 [1,1,0,0,0,0|2,0,0]=4 1197 B13R1.2065 COC(=O)c1ccc(nc1SC)C 62a_100000054099_200000210301 [1,1,0,0,0,0|2,0,0]=4 1198 B13R1.2065 COC(=O)c1ccc(nc1SC)C 62a_200000210301_100000054099 [1,1,0,0,0,0|2,0,0]=4 1199 B13R1.2065 COC(=O)c1ccc(nc1SC)N 62a_100009865240_200000210301 [1,1,0,0,0,0|2,0,0]=4 1200 B13R1.2065 COC(=O)c1ccc(nc1SC)N 62a_200000210301_100009865240 [1,1,0,0,0,0|2,0,0]=4 1201 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])C 62a_100000054099_200025704644 [1,1,0,0,0,0|2,0,0]=4 1202 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])C 62a_200025704644_100000054099 [1,1,0,0,0,0|2,0,0]=4 1203 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])N 62a_100009865240_200025704644 [1,1,0,0,0,0|2,0,0]=4 1204 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])N 62a_200025704644_100009865240 [1,1,0,0,0,0|2,0,0]=4 1205 B13R1.2065 COC(=O)c1cnc(cc1OC)O 271570a_203496583355_100010062786 [1,1,0,0,0,0|2,0,0]=4 1206 B13R1.2065 COC(=O)c1cnc(cc1SC)C 62a_100011998247_200000210301 [1,1,0,0,0,0|2,0,0]=4 1207 B13R1.2065 COC(=O)c1cnc(cc1SC)C 62a_200000210301_100011998247 [1,1,0,0,0,0|2,0,0]=4 1208 B13R1.2065 COC(=O)c1cnc(cc1SC)Cl 62a_100010734300_200000210301 [1,1,0,0,0,0|2,0,0]=4 1209 B13R1.2065 COC(=O)c1cnc(cc1SC)Cl 62a_200000210301_100010734300 [1,1,0,0,0,0|2,0,0]=4 1210 B13R1.2065 COC(=O)c1cnc(cc1S[13CH3])C 62a_100011998247_200025704644 [1,1,0,0,0,0|2,0,0]=4 1211 B13R1.2065 COC(=O)c1cnc(cc1S[13CH3])C 62a_200025704644_100011998247 [1,1,0,0,0,0|2,0,0]=4 1212 B13R1.2065 COC(=O)c1cnc(cc1S[13CH3])Cl 62a_100010734300_200025704644 [1,1,0,0,0,0|2,0,0]=4 1213 B13R1.2065 COC(=O)c1cnc(cc1S[13CH3])Cl 62a_200025704644_100010734300 [1,1,0,0,0,0|2,0,0]=4 1214 B13R1.2065 COC(=O)c1ncc(cc1OC)Br 34a_100010071521_200000210301 [1,1,0,0,0,0|2,0,0]=4 1215 B13R1.2065 COC(=O)c1ncc(cc1OC)Br 7a_100010071521_200000210301 [1,1,0,0,0,0|2,0,0]=4 1216 B13R1.2065 COC(=O)c1ncc(cc1OC)O 271570a_203496583355_100010254911 [1,1,0,0,0,0|2,0,0]=4 1217 B13R1.2065 COC(=O)c1ncc(cc1O[13CH3])Br 34a_100010071521_200025704644 [1,1,0,0,0,0|2,0,0]=4 1218 B13R1.2065 COC(=O)c1ncc(cc1O[13CH3])Br 7a_100010071521_200025704644 [1,1,0,0,0,0|2,0,0]=4 1219 B13R1.2065 COC(=O)c1ncc(cc1SC)C 62a_100010167497_200000210301 [1,1,0,0,0,0|2,0,0]=4 1220 B13R1.2065 COC(=O)c1ncc(cc1SC)C 62a_200000210301_100010167497 [1,1,0,0,0,0|2,0,0]=4 1221 B13R1.2065 COC(=O)c1ncc(cc1SC)F 62a_100010189631_200000210301 [1,1,0,0,0,0|2,0,0]=4 1222 B13R1.2065 COC(=O)c1ncc(cc1SC)F 62a_200000210301_100010189631 [1,1,0,0,0,0|2,0,0]=4 1223 B13R1.2065 COC(=O)c1ncc(cc1S[13CH3])C 62a_100010167497_200025704644 [1,1,0,0,0,0|2,0,0]=4 1224 B13R1.2065 COC(=O)c1ncc(cc1S[13CH3])C 62a_200025704644_100010167497 [1,1,0,0,0,0|2,0,0]=4 1225 B13R1.2065 COC(=O)c1ncc(cc1S[13CH3])F 62a_100010189631_200025704644 [1,1,0,0,0,0|2,0,0]=4 1226 B13R1.2065 COC(=O)c1ncc(cc1S[13CH3])F 62a_200025704644_100010189631 [1,1,0,0,0,0|2,0,0]=4 1227 B13R1.2129 CCS(=O)(=O)c1ccccc1NC 34a_100000738084_200000210301 [1,1,0,0,0,0|2,0,0]=4 1228 B13R1.2129 CCS(=O)(=O)c1ccccc1NC 7a_100000738084_200000210301 [1,1,0,0,0,0|2,0,0]=4 1229 B13R1.2129 CCS(=O)(=O)c1ccccc1N[13CH3] 34a_100000738084_200025704644 [1,1,0,0,0,0|2,0,0]=4 1230 B13R1.2129 CCS(=O)(=O)c1ccccc1N[13CH3] 7a_100000738084_200025704644 [1,1,0,0,0,0|2,0,0]=4 1231 B13R1.2129 CNS(=O)(=O)c1ccccc1N[13CH3] 34a_100000736802_200025704644 [1,1,0,0,0,0|2,0,0]=4 1232 B13R1.2129 CNc1ccccc1S(=O)(=O)NC 34a_100000736802_200000210301 [1,1,0,0,0,0|2,0,0]=4 1233 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)Br 271570a_100011290941_100000148213 [1,1,0,0,0,0|1,0,1]=4 1234 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)C 271570a_100011290941_100012339458 [1,1,0,0,0,0|1,0,1]=4 1235 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)Cl 271570a_100011290941_100011294804 [1,1,0,0,0,0|1,0,1]=4 1236 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)F 271570a_100011290941_100000205820 [1,1,0,0,0,0|1,0,1]=4 1237 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)N 271570a_100011290941_100000696289 [1,1,0,0,0,0|1,0,1]=4 1238 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)O 271570a_100011290941_100010230369 [1,1,0,0,0,0|1,0,1]=4 1239 B13R1.2209 CCC(=O)c1cc(ccc1CC)Br 1458a_100012343961_100000210202 [1,1,0,0,0,0|2,0,0]=4 1240 B13R1.2209 CCC(=O)c1cc(ccc1OC)Br 1458a_100000188853_100000210202 [1,1,0,0,0,0|2,0,0]=4 1241 B13R1.2209 CCC(=O)c1cc(ccc1OC)Br 7a_100000183607_200000210301 [1,1,0,0,0,0|2,0,0]=4 1242 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 1458a_100000204667_100000210202 [1,1,0,0,0,0|2,0,0]=4 1243 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 7a_100000183590_200000210301 [1,1,0,0,0,0|2,0,0]=4 1244 B13R1.2209 CCC(=O)c1cc(ccc1OC)Cl 1458a_100000211409_100000210202 [1,1,0,0,0,0|2,0,0]=4 1245 B13R1.2209 CCC(=O)c1cc(ccc1OC)Cl 7a_100000181482_200000210301 [1,1,0,0,0,0|2,0,0]=4 1246 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 1458a_100000735445_100000210202 [1,1,0,0,0,0|2,0,0]=4 1247 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 34a_100000183209_200000210301 [1,1,0,0,0,0|2,0,0]=4 1248 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 7a_100000183209_200000210301 [1,1,0,0,0,0|2,0,0]=4 1249 B13R1.2209 CCC(=O)c1cc(ccc1OC)I 1458a_100000230898_100000210202 [1,1,0,0,0,0|2,0,0]=4 1250 B13R1.2209 CCC(=O)c1cc(ccc1OC)O 1458a_200000100057_100000210202 [1,1,0,0,0,0|2,0,0]=4 1251 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])Br 7a_100000183607_200025704644 [1,1,0,0,0,0|2,0,0]=4 1252 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])C 7a_100000183590_200025704644 [1,1,0,0,0,0|2,0,0]=4 1253 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000181482_200025704644 [1,1,0,0,0,0|2,0,0]=4 1254 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])F 34a_100000183209_200025704644 [1,1,0,0,0,0|2,0,0]=4 1255 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])F 7a_100000183209_200025704644 [1,1,0,0,0,0|2,0,0]=4 1256 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 11a_106832991635_100012343961 [1,1,0,0,0,0|2,0,0]=4 1257 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 1626a_100102657272_100012343961 [1,1,0,0,0,0|2,0,0]=4 1258 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 240690a_100102657272_100012343961 [1,1,0,0,0,0|2,0,0]=4 1259 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 527a_100102657272_100012343961 [1,1,0,0,0,0|2,0,0]=4 1260 B13R1.2209 CCc1ccc(cc1C(=O)OC)O 271570a_203496583355_100012360140 [1,1,0,0,0,0|1,0,0]=3 1261 B13R1.2209 CNC(=O)c1cc(ccc1NC)Br 34a_100000690504_200000210301 [1,1,0,0,0,0|1,0,0]=3 1262 B13R1.2209 CNC(=O)c1cc(ccc1NC)Cl 27a_100102657272_200011279454 [1,1,0,0,0,0|1,0,0]=3 1263 B13R1.2209 CNC(=O)c1cc(ccc1NC)Cl 34a_100000739363_200000210301 [1,1,0,0,0,0|1,0,0]=3 1264 B13R1.2209 CNC(=O)c1cc(ccc1NC)F 27a_100102657272_200000206232 [1,1,0,0,0,0|1,0,0]=3 1265 B13R1.2209 CNC(=O)c1cc(ccc1N[13CH3])Br 34a_100000690504_200025704644 [1,1,0,0,0,0|1,0,0]=3 1266 B13R1.2209 CNC(=O)c1cc(ccc1N[13CH3])Cl 34a_100000739363_200025704644 [1,1,0,0,0,0|1,0,0]=3 1267 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 11a_106832991635_100000188853 [1,1,0,0,0,0|2,0,0]=4 1268 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 1626a_100102657272_100000188853 [1,1,0,0,0,0|2,0,0]=4 1269 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 240690a_100102657272_100000188853 [1,1,0,0,0,0|2,0,0]=4 1270 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 527a_100102657272_100000188853 [1,1,0,0,0,0|2,0,0]=4 1271 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 11a_106832991635_100000204667 [1,1,0,0,0,0|2,0,0]=4 1272 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 1626a_100102657272_100000204667 [1,1,0,0,0,0|2,0,0]=4 1273 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 240690a_100102657272_100000204667 [1,1,0,0,0,0|2,0,0]=4 1274 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 527a_100102657272_100000204667 [1,1,0,0,0,0|2,0,0]=4 1275 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 11a_106832991635_100000211409 [1,1,0,0,0,0|2,0,0]=4 1276 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 1626a_100102657272_100000211409 [1,1,0,0,0,0|2,0,0]=4 1277 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 240690a_100102657272_100000211409 [1,1,0,0,0,0|2,0,0]=4 1278 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 527a_100102657272_100000211409 [1,1,0,0,0,0|2,0,0]=4 1279 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 11a_106832991635_100000735445 [1,1,0,0,0,0|2,0,0]=4 1280 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 1626a_100102657272_100000735445 [1,1,0,0,0,0|2,0,0]=4 1281 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 240690a_100102657272_100000735445 [1,1,0,0,0,0|2,0,0]=4 1282 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 527a_100102657272_100000735445 [1,1,0,0,0,0|2,0,0]=4 1283 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 11a_106832991635_100000230898 [1,1,0,0,0,0|2,0,0]=4 1284 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 1626a_100102657272_100000230898 [1,1,0,0,0,0|2,0,0]=4 1285 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 240690a_100102657272_100000230898 [1,1,0,0,0,0|2,0,0]=4 1286 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 527a_100102657272_100000230898 [1,1,0,0,0,0|2,0,0]=4 1287 B13R1.2209 CNC(=O)c1cc(ccc1OC)O 240690a_100102657272_200000100057 [1,1,0,0,0,0|2,0,0]=4 1288 B13R1.2209 CNC(=O)c1cc(ccc1OC)O 527a_100102657272_200000100057 [1,1,0,0,0,0|2,0,0]=4 1289 B13R1.2209 CNC(=O)c1cc(ccc1SC)Cl 62a_200000210301_200011279454 [1,1,0,0,0,0|2,0,0]=4 1290 B13R1.2209 CNC(=O)c1cc(ccc1SC)Cl 62a_200011279454_200000210301 [1,1,0,0,0,0|2,0,0]=4 1291 B13R1.2209 CNC(=O)c1cc(ccc1SC)F 62a_200000206232_200000210301 [1,1,0,0,0,0|2,0,0]=4 1292 B13R1.2209 CNC(=O)c1cc(ccc1SC)F 62a_200000210301_200000206232 [1,1,0,0,0,0|2,0,0]=4 1293 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])Cl 62a_200011279454_200025704644 [1,1,0,0,0,0|2,0,0]=4 1294 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])Cl 62a_200025704644_200011279454 [1,1,0,0,0,0|2,0,0]=4 1295 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])F 62a_200000206232_200025704644 [1,1,0,0,0,0|2,0,0]=4 1296 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_200000206232 [1,1,0,0,0,0|2,0,0]=4 1297 B13R1.2209 CNc1ccc(cc1C(=O)OC)O 271570a_203496583355_200000216482 [1,1,0,0,0,0|0,0,0]=2 1298 B13R1.2209 CNc1ncc(cc1C(=O)OC)C 27a_100102657272_100000085774 [1,1,0,0,0,0|1,0,0]=3 1299 B13R1.2209 COC(=O)c1cc(ccc1C#N)O 271570a_203496583355_100010201442 [1,1,0,0,0,0|2,0,0]=4 1300 B13R1.2209 COC(=O)c1cc(ccc1C=O)O 271570a_203496583355_100012355575 [1,1,0,0,0,0|2,0,0]=4 1301 B13R1.2209 COC(=O)c1cc(ccc1CN)O 271570a_203496583355_100016992124 [1,1,0,0,0,0|2,0,0]=4 1302 B13R1.2209 COC(=O)c1cc(ccc1OC)Br 34a_100000149267_200000210301 [1,1,0,0,0,0|1,0,0]=3 1303 B13R1.2209 COC(=O)c1cc(ccc1OC)Br 7a_100000149267_200000210301 [1,1,0,0,0,0|1,0,0]=3 1304 B13R1.2209 COC(=O)c1cc(ccc1OC)C 34a_100000216618_200000210301 [1,1,0,0,0,0|1,0,0]=3 1305 B13R1.2209 COC(=O)c1cc(ccc1OC)C 7a_100000216618_200000210301 [1,1,0,0,0,0|1,0,0]=3 1306 B13R1.2209 COC(=O)c1cc(ccc1OC)Cl 34a_100000149278_200000210301 [1,1,0,0,0,0|1,0,0]=3 1307 B13R1.2209 COC(=O)c1cc(ccc1OC)Cl 7a_100000149278_200000210301 [1,1,0,0,0,0|1,0,0]=3 1308 B13R1.2209 COC(=O)c1cc(ccc1OC)F 34a_100011219540_200000210301 [1,1,0,0,0,0|1,0,0]=3 1309 B13R1.2209 COC(=O)c1cc(ccc1OC)F 7a_100011219540_200000210301 [1,1,0,0,0,0|1,0,0]=3 1310 B13R1.2209 COC(=O)c1cc(ccc1OC)I 34a_100000149868_200000210301 [1,1,0,0,0,0|1,0,0]=3 1311 B13R1.2209 COC(=O)c1cc(ccc1OC)I 7a_100000149868_200000210301 [1,1,0,0,0,0|1,0,0]=3 1312 B13R1.2209 COC(=O)c1cc(ccc1OC)N 34a_100011246163_200000210301 [1,1,0,0,0,0|1,0,0]=3 1313 B13R1.2209 COC(=O)c1cc(ccc1OC)N 7a_100011246163_200000210301 [1,1,0,0,0,0|1,0,0]=3 1314 B13R1.2209 COC(=O)c1cc(ccc1OC)O 271570a_203496583355_100012047238 [1,1,0,0,0,0|1,0,0]=3 1315 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Br 34a_100000149267_200025704644 [1,1,0,0,0,0|1,0,0]=3 1316 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Br 7a_100000149267_200025704644 [1,1,0,0,0,0|1,0,0]=3 1317 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])C 34a_100000216618_200025704644 [1,1,0,0,0,0|1,0,0]=3 1318 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])C 7a_100000216618_200025704644 [1,1,0,0,0,0|1,0,0]=3 1319 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000149278_200025704644 [1,1,0,0,0,0|1,0,0]=3 1320 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000149278_200025704644 [1,1,0,0,0,0|1,0,0]=3 1321 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])F 34a_100011219540_200025704644 [1,1,0,0,0,0|1,0,0]=3 1322 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])F 7a_100011219540_200025704644 [1,1,0,0,0,0|1,0,0]=3 1323 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])I 34a_100000149868_200025704644 [1,1,0,0,0,0|1,0,0]=3 1324 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])I 7a_100000149868_200025704644 [1,1,0,0,0,0|1,0,0]=3 1325 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])N 34a_100011246163_200025704644 [1,1,0,0,0,0|1,0,0]=3 1326 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])N 7a_100011246163_200025704644 [1,1,0,0,0,0|1,0,0]=3 1327 B13R1.2209 COC(=O)c1cc(ccc1SC)Br 62a_100000148213_200000210301 [1,1,0,0,0,0|1,0,0]=3 1328 B13R1.2209 COC(=O)c1cc(ccc1SC)Br 62a_200000210301_100000148213 [1,1,0,0,0,0|1,0,0]=3 1329 B13R1.2209 COC(=O)c1cc(ccc1SC)C 62a_100012339458_200000210301 [1,1,0,0,0,0|1,0,0]=3 1330 B13R1.2209 COC(=O)c1cc(ccc1SC)C 62a_200000210301_100012339458 [1,1,0,0,0,0|1,0,0]=3 1331 B13R1.2209 COC(=O)c1cc(ccc1SC)Cl 62a_100011294804_200000210301 [1,1,0,0,0,0|1,0,0]=3 1332 B13R1.2209 COC(=O)c1cc(ccc1SC)Cl 62a_200000210301_100011294804 [1,1,0,0,0,0|1,0,0]=3 1333 B13R1.2209 COC(=O)c1cc(ccc1SC)F 62a_100000205820_200000210301 [1,1,0,0,0,0|1,0,0]=3 1334 B13R1.2209 COC(=O)c1cc(ccc1SC)F 62a_200000210301_100000205820 [1,1,0,0,0,0|1,0,0]=3 1335 B13R1.2209 COC(=O)c1cc(ccc1SC)N 62a_100000696289_200000210301 [1,1,0,0,0,0|1,0,0]=3 1336 B13R1.2209 COC(=O)c1cc(ccc1SC)N 62a_200000210301_100011794239 [1,1,0,0,0,0|1,0,0]=3 1337 B13R1.2209 COC(=O)c1cc(ccc1SC)O 271570a_203496583355_200010204078 [1,1,0,0,0,0|1,0,0]=3 1338 B13R1.2209 COC(=O)c1cc(ccc1SC)O 62a_100010230369_200000210301 [1,1,0,0,0,0|1,0,0]=3 1339 B13R1.2209 COC(=O)c1cc(ccc1SC)O 62a_200000210301_100010230369 [1,1,0,0,0,0|1,0,0]=3 1340 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Br 62a_100000148213_200025704644 [1,1,0,0,0,0|1,0,0]=3 1341 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Br 62a_200025704644_100000148213 [1,1,0,0,0,0|1,0,0]=3 1342 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])C 62a_100012339458_200025704644 [1,1,0,0,0,0|1,0,0]=3 1343 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012339458 [1,1,0,0,0,0|1,0,0]=3 1344 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Cl 62a_100011294804_200025704644 [1,1,0,0,0,0|1,0,0]=3 1345 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Cl 62a_200025704644_100011294804 [1,1,0,0,0,0|1,0,0]=3 1346 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])F 62a_100000205820_200025704644 [1,1,0,0,0,0|1,0,0]=3 1347 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100000205820 [1,1,0,0,0,0|1,0,0]=3 1348 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])N 62a_100000696289_200025704644 [1,1,0,0,0,0|1,0,0]=3 1349 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])N 62a_200025704644_100011794239 [1,1,0,0,0,0|1,0,0]=3 1350 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])O 62a_100010230369_200025704644 [1,1,0,0,0,0|1,0,0]=3 1351 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])O 62a_200025704644_100010230369 [1,1,0,0,0,0|1,0,0]=3 1352 B13R1.2209 COC(=O)c1cc(cnc1OC)O 271570a_203496583355_100000698521 [1,1,0,0,0,0|2,0,0]=4 1353 B13R1.2209 COC(=O)c1cc(cnc1SC)C 62a_100010162703_200000210301 [1,1,0,0,0,0|2,0,0]=4 1354 B13R1.2209 COC(=O)c1cc(cnc1SC)C 62a_200000210301_100000085774 [1,1,0,0,0,0|2,0,0]=4 1355 B13R1.2209 COC(=O)c1cc(cnc1SC)F 62a_100012000215_200000210301 [1,1,0,0,0,0|2,0,0]=4 1356 B13R1.2209 COC(=O)c1cc(cnc1SC)F 62a_200000210301_100012000215 [1,1,0,0,0,0|2,0,0]=4 1357 B13R1.2209 COC(=O)c1cc(cnc1SC)N 62a_200000210301_200012182668 [1,1,0,0,0,0|2,0,0]=4 1358 B13R1.2209 COC(=O)c1cc(cnc1SC)N 62a_200012182668_200000210301 [1,1,0,0,0,0|2,0,0]=4 1359 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])C 62a_100010162703_200025704644 [1,1,0,0,0,0|2,0,0]=4 1360 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])C 62a_200025704644_100000085774 [1,1,0,0,0,0|2,0,0]=4 1361 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])F 62a_100012000215_200025704644 [1,1,0,0,0,0|2,0,0]=4 1362 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])F 62a_200025704644_100012000215 [1,1,0,0,0,0|2,0,0]=4 1363 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])N 62a_200012182668_200025704644 [1,1,0,0,0,0|2,0,0]=4 1364 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])N 62a_200025704644_200012182668 [1,1,0,0,0,0|2,0,0]=4 1365 B13R1.2209 COC(=O)c1cc(ncc1OC)Br 34a_100010136202_200000210301 [1,1,0,0,0,0|2,0,0]=4 1366 B13R1.2209 COC(=O)c1cc(ncc1OC)Br 7a_100010136202_200000210301 [1,1,0,0,0,0|2,0,0]=4 1367 B13R1.2209 COC(=O)c1cc(ncc1O[13CH3])Br 34a_100010136202_200025704644 [1,1,0,0,0,0|2,0,0]=4 1368 B13R1.2209 COC(=O)c1cc(ncc1O[13CH3])Br 7a_100010136202_200025704644 [1,1,0,0,0,0|2,0,0]=4 1369 B13R1.2209 COC(=O)c1cc(ncc1SC)N 62a_100011934820_200000210301 [1,1,0,0,0,0|2,0,0]=4 1370 B13R1.2209 COC(=O)c1cc(ncc1SC)N 62a_200000210301_100011934820 [1,1,0,0,0,0|2,0,0]=4 1371 B13R1.2209 COC(=O)c1cc(ncc1SC)O 62a_100009816900_200000210301 [1,1,0,0,0,0|2,0,0]=4 1372 B13R1.2209 COC(=O)c1cc(ncc1SC)O 62a_200000210301_100009816900 [1,1,0,0,0,0|2,0,0]=4 1373 B13R1.2209 COC(=O)c1cc(ncc1S[13CH3])N 62a_100011934820_200025704644 [1,1,0,0,0,0|2,0,0]=4 1374 B13R1.2209 COC(=O)c1cc(ncc1S[13CH3])N 62a_200025704644_100011934820 [1,1,0,0,0,0|2,0,0]=4 1375 B13R1.2209 COC(=O)c1cc(ncc1S[13CH3])O 62a_100009816900_200025704644 [1,1,0,0,0,0|2,0,0]=4 1376 B13R1.2209 COC(=O)c1cc(ncc1S[13CH3])O 62a_200025704644_100009816900 [1,1,0,0,0,0|2,0,0]=4 1377 B13R1.2209 COC(=O)c1nc(ccc1OC)Br 34a_100000697862_200000210301 [1,1,0,0,0,0|2,0,0]=4 1378 B13R1.2209 COC(=O)c1nc(ccc1OC)Br 7a_100000697862_200000210301 [1,1,0,0,0,0|2,0,0]=4 1379 B13R1.2209 COC(=O)c1nc(ccc1OC)C 34a_100009869402_200000210301 [1,1,0,0,0,0|2,0,0]=4 1380 B13R1.2209 COC(=O)c1nc(ccc1OC)C 7a_100009869402_200000210301 [1,1,0,0,0,0|2,0,0]=4 1381 B13R1.2209 COC(=O)c1nc(ccc1OC)O 271570a_203496583355_100010136180 [1,1,0,0,0,0|2,0,0]=4 1382 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])Br 34a_100000697862_200025704644 [1,1,0,0,0,0|2,0,0]=4 1383 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])Br 7a_100000697862_200025704644 [1,1,0,0,0,0|2,0,0]=4 1384 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])C 34a_100009869402_200025704644 [1,1,0,0,0,0|2,0,0]=4 1385 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])C 7a_100009869402_200025704644 [1,1,0,0,0,0|2,0,0]=4 1386 B13R1.2209 COC(=O)c1nc(ccc1SC)N 62a_100009816986_200000210301 [1,1,0,0,0,0|2,0,0]=4 1387 B13R1.2209 COC(=O)c1nc(ccc1S[13CH3])N 62a_100009816986_200025704644 [1,1,0,0,0,0|2,0,0]=4 1388 B13R1.2357 C=Cc1cccc(c1C(=O)OC)Br 271570a_100011290941_100010247157 [1,1,0,0,0,0|1,0,1]=4 1389 B13R1.2357 C=Cc1cccc(c1C(=O)OC)C 271570a_100011290941_100010204206 [1,1,0,0,0,0|1,0,1]=4 1390 B13R1.2357 C=Cc1cccc(c1C(=O)OC)Cl 271570a_100011290941_100010150959 [1,1,0,0,0,0|1,0,1]=4 1391 B13R1.2357 C=Cc1cccc(c1C(=O)OC)F 271570a_100011290941_100000150693 [1,1,0,0,0,0|1,0,1]=4 1392 B13R1.2357 C=Cc1cccc(c1C(=O)OC)N 271570a_100011290941_100010253892 [1,1,0,0,0,0|1,0,1]=4 1393 B13R1.2357 CCC(=O)c1c(cccc1OC)Br 1458a_100011593405_100000210202 [1,1,0,0,0,0|2,0,0]=4 1394 B13R1.2357 CCC(=O)c1c(cccc1OC)C 1458a_100000066212_100000210202 [1,1,0,0,0,0|2,0,0]=4 1395 B13R1.2357 CCC(=O)c1c(cccc1OC)Cl 1458a_100000743539_100000210202 [1,1,0,0,0,0|2,0,0]=4 1396 B13R1.2357 CCC(=O)c1c(cccc1OC)F 1458a_100000759380_100000210202 [1,1,0,0,0,0|2,0,0]=4 1397 B13R1.2357 CCC(=O)c1c(cccc1OC)I 1458a_100010179659_100000210202 [1,1,0,0,0,0|2,0,0]=4 1398 B13R1.2357 CCC(=O)c1c(cccc1OC)O 1458a_100000043310_100000210202 [1,1,0,0,0,0|2,0,0]=4 1399 B13R1.2357 CNC(=O)c1c(cccc1NC)F 27a_100102657272_100012642803 [1,1,0,0,0,0|1,0,0]=3 1400 B13R1.2357 CNC(=O)c1c(cccc1OC)Br 11a_106832991635_100011593405 [1,1,0,0,0,0|2,0,0]=4 1401 B13R1.2357 CNC(=O)c1c(cccc1OC)Br 1626a_100102657272_100011593405 [1,1,0,0,0,0|2,0,0]=4 1402 B13R1.2357 CNC(=O)c1c(cccc1OC)Br 240690a_100102657272_100011593405 [1,1,0,0,0,0|2,0,0]=4 1403 B13R1.2357 CNC(=O)c1c(cccc1OC)Br 527a_100102657272_100011593405 [1,1,0,0,0,0|2,0,0]=4 1404 B13R1.2357 CNC(=O)c1c(cccc1OC)C 11a_106832991635_100000066212 [1,1,0,0,0,0|2,0,0]=4 1405 B13R1.2357 CNC(=O)c1c(cccc1OC)C 1626a_100102657272_100000066212 [1,1,0,0,0,0|2,0,0]=4 1406 B13R1.2357 CNC(=O)c1c(cccc1OC)C 240690a_100102657272_100000066212 [1,1,0,0,0,0|2,0,0]=4 1407 B13R1.2357 CNC(=O)c1c(cccc1OC)Cl 11a_106832991635_100000743539 [1,1,0,0,0,0|2,0,0]=4 1408 B13R1.2357 CNC(=O)c1c(cccc1OC)Cl 1626a_100102657272_100000743539 [1,1,0,0,0,0|2,0,0]=4 1409 B13R1.2357 CNC(=O)c1c(cccc1OC)Cl 240690a_100102657272_100000743539 [1,1,0,0,0,0|2,0,0]=4 1410 B13R1.2357 CNC(=O)c1c(cccc1OC)Cl 527a_100102657272_100000743539 [1,1,0,0,0,0|2,0,0]=4 1411 B13R1.2357 CNC(=O)c1c(cccc1OC)F 11a_106832991635_100000759380 [1,1,0,0,0,0|2,0,0]=4 1412 B13R1.2357 CNC(=O)c1c(cccc1OC)F 1626a_100102657272_100000759380 [1,1,0,0,0,0|2,0,0]=4 1413 B13R1.2357 CNC(=O)c1c(cccc1OC)F 240690a_100102657272_100000759380 [1,1,0,0,0,0|2,0,0]=4 1414 B13R1.2357 CNC(=O)c1c(cccc1OC)F 527a_100102657272_100000759380 [1,1,0,0,0,0|2,0,0]=4 1415 B13R1.2357 CNC(=O)c1c(cccc1OC)I 11a_106832991635_100010179659 [1,1,0,0,0,0|2,0,0]=4 1416 B13R1.2357 CNC(=O)c1c(cccc1OC)I 1626a_100102657272_100010179659 [1,1,0,0,0,0|2,0,0]=4 1417 B13R1.2357 CNC(=O)c1c(cccc1OC)I 240690a_100102657272_100010179659 [1,1,0,0,0,0|2,0,0]=4 1418 B13R1.2357 CNC(=O)c1c(cccc1OC)I 527a_100102657272_100010179659 [1,1,0,0,0,0|2,0,0]=4 1419 B13R1.2357 CNC(=O)c1c(cccc1OC)O 240690a_100102657272_100000043310 [1,1,0,0,0,0|2,0,0]=4 1420 B13R1.2357 CNC(=O)c1c(cccc1SC)F 62a_100012642803_200000210301 [1,1,0,0,0,0|2,0,0]=4 1421 B13R1.2357 CNC(=O)c1c(cccc1SC)F 62a_200000210301_100012642803 [1,1,0,0,0,0|2,0,0]=4 1422 B13R1.2357 CNC(=O)c1c(cccc1S[13CH3])F 62a_100012642803_200025704644 [1,1,0,0,0,0|2,0,0]=4 1423 B13R1.2357 CNC(=O)c1c(cccc1S[13CH3])F 62a_200025704644_100012642803 [1,1,0,0,0,0|2,0,0]=4 1424 B13R1.2357 COC(=O)c1c(cccc1C#N)O 271570a_203496583355_100009843633 [1,1,0,0,0,0|2,0,0]=4 1425 B13R1.2357 COC(=O)c1c(cccc1OC)C 34a_100000084604_200000210301 [1,1,0,0,0,0|1,0,0]=3 1426 B13R1.2357 COC(=O)c1c(cccc1OC)C 7a_100000084604_200000210301 [1,1,0,0,0,0|1,0,0]=3 1427 B13R1.2357 COC(=O)c1c(cccc1OC)Cl 34a_200000055445_200000210301 [1,1,0,0,0,0|1,0,0]=3 1428 B13R1.2357 COC(=O)c1c(cccc1OC)Cl 7a_200000055445_200000210301 [1,1,0,0,0,0|1,0,0]=3 1429 B13R1.2357 COC(=O)c1c(cccc1OC)F 34a_100011216559_200000210301 [1,1,0,0,0,0|1,0,0]=3 1430 B13R1.2357 COC(=O)c1c(cccc1OC)F 7a_100011216559_200000210301 [1,1,0,0,0,0|1,0,0]=3 1431 B13R1.2357 COC(=O)c1c(cccc1OC)O 271570a_203496583355_100010189552 [1,1,0,0,0,0|1,0,0]=3 1432 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])C 34a_100000084604_200025704644 [1,1,0,0,0,0|1,0,0]=3 1433 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])C 7a_100000084604_200025704644 [1,1,0,0,0,0|1,0,0]=3 1434 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])Cl 34a_200000055445_200025704644 [1,1,0,0,0,0|1,0,0]=3 1435 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])Cl 7a_200000055445_200025704644 [1,1,0,0,0,0|1,0,0]=3 1436 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])F 34a_100011216559_200025704644 [1,1,0,0,0,0|1,0,0]=3 1437 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])F 7a_100011216559_200025704644 [1,1,0,0,0,0|1,0,0]=3 1438 B13R1.2357 COC(=O)c1c(cccc1SC)Br 62a_100010247157_200000210301 [1,1,0,0,0,0|1,0,0]=3 1439 B13R1.2357 COC(=O)c1c(cccc1SC)Br 62a_200000210301_100010247157 [1,1,0,0,0,0|1,0,0]=3 1440 B13R1.2357 COC(=O)c1c(cccc1SC)C 62a_100010204206_200000210301 [1,1,0,0,0,0|1,0,0]=3 1441 B13R1.2357 COC(=O)c1c(cccc1SC)C 62a_200000210301_100010204206 [1,1,0,0,0,0|1,0,0]=3 1442 B13R1.2357 COC(=O)c1c(cccc1SC)Cl 62a_100010150959_200000210301 [1,1,0,0,0,0|1,0,0]=3 1443 B13R1.2357 COC(=O)c1c(cccc1SC)Cl 62a_200000210301_100010150959 [1,1,0,0,0,0|1,0,0]=3 1444 B13R1.2357 COC(=O)c1c(cccc1SC)F 62a_100000150693_200000210301 [1,1,0,0,0,0|1,0,0]=3 1445 B13R1.2357 COC(=O)c1c(cccc1SC)F 62a_200000210301_100000150693 [1,1,0,0,0,0|1,0,0]=3 1446 B13R1.2357 COC(=O)c1c(cccc1SC)N 62a_100010253892_200000210301 [1,1,0,0,0,0|1,0,0]=3 1447 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])Br 62a_100010247157_200025704644 [1,1,0,0,0,0|1,0,0]=3 1448 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])Br 62a_200025704644_100010247157 [1,1,0,0,0,0|1,0,0]=3 1449 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])C 62a_100010204206_200025704644 [1,1,0,0,0,0|1,0,0]=3 1450 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])C 62a_200025704644_100010204206 [1,1,0,0,0,0|1,0,0]=3 1451 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])Cl 62a_100010150959_200025704644 [1,1,0,0,0,0|1,0,0]=3 1452 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])Cl 62a_200025704644_100010150959 [1,1,0,0,0,0|1,0,0]=3 1453 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])F 62a_100000150693_200025704644 [1,1,0,0,0,0|1,0,0]=3 1454 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])F 62a_200025704644_100000150693 [1,1,0,0,0,0|1,0,0]=3 1455 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])N 62a_100010253892_200025704644 [1,1,0,0,0,0|1,0,0]=3 1456 B13R1.2357 COC(=O)c1c(ccnc1Cl)SC 62a_200000210301_100010138530 [1,1,0,0,0,0|2,0,0]=4 1457 B13R1.2357 COC(=O)c1c(ccnc1Cl)S[13CH3] 62a_200025704644_100010138530 [1,1,0,0,0,0|2,0,0]=4 1458 B13R1.2357 COC(=O)c1c(ccnc1F)SC 62a_100010150474_200000210301 [1,1,0,0,0,0|2,0,0]=4 1459 B13R1.2357 COC(=O)c1c(ccnc1F)SC 62a_200000210301_100010150474 [1,1,0,0,0,0|2,0,0]=4 1460 B13R1.2357 COC(=O)c1c(ccnc1F)S[13CH3] 62a_100010150474_200025704644 [1,1,0,0,0,0|2,0,0]=4 1461 B13R1.2357 COC(=O)c1c(ccnc1F)S[13CH3] 62a_200025704644_100010150474 [1,1,0,0,0,0|2,0,0]=4 1462 B13R1.2357 COC(=O)c1c(ccnc1O)OC 271570a_203496583355_200010142525 [1,1,0,0,0,0|2,0,0]=4 1463 B13R1.2357 COC(=O)c1c(ccnc1OC)O 271570a_203496583355_100010136349 [1,1,0,0,0,0|2,0,0]=4 1464 B13R1.2357 COC(=O)c1c(ccnc1SC)F 62a_100015560809_200000210301 [1,1,0,0,0,0|2,0,0]=4 1465 B13R1.2357 COC(=O)c1c(ccnc1SC)F 62a_200000210301_100015560809 [1,1,0,0,0,0|2,0,0]=4 1466 B13R1.2357 COC(=O)c1c(ccnc1SC)N 62a_200000210301_100009985557 [1,1,0,0,0,0|2,0,0]=4 1467 B13R1.2357 COC(=O)c1c(ccnc1S[13CH3])F 62a_100015560809_200025704644 [1,1,0,0,0,0|2,0,0]=4 1468 B13R1.2357 COC(=O)c1c(ccnc1S[13CH3])F 62a_200025704644_100015560809 [1,1,0,0,0,0|2,0,0]=4 1469 B13R1.2357 COC(=O)c1c(ccnc1S[13CH3])N 62a_200025704644_100009985557 [1,1,0,0,0,0|2,0,0]=4 1470 B13R1.2357 COC(=O)c1c(cncc1SC)F 62a_100010189632_200000210301 [1,1,0,0,0,0|2,0,0]=4 1471 B13R1.2357 COC(=O)c1c(cncc1SC)F 62a_200000210301_100010189632 [1,1,0,0,0,0|2,0,0]=4 1472 B13R1.2357 COC(=O)c1c(cncc1S[13CH3])F 62a_100010189632_200025704644 [1,1,0,0,0,0|2,0,0]=4 1473 B13R1.2357 COC(=O)c1c(cncc1S[13CH3])F 62a_200025704644_100010189632 [1,1,0,0,0,0|2,0,0]=4 1474 B13R1.165 C=C(C)c1cc(ccc1C(=O)C)C 271570a_100000694244_100012353930 [1,1,0,0,0,0|1,0,1]=4 1475 B13R1.165 C=C(C)c1cc(ccc1C(=O)C)F 271570a_100000694244_100000686192 [1,1,0,0,0,0|1,0,1]=4 1476 B13R1.165 C=C(C)c1cc(ccc1C(=O)C)O 271570a_100000694244_100012340537 [1,1,0,0,0,0|1,0,1]=4 1477 B13R1.165 C=C(C)c1cc(ccc1N(C)C)C 271570a_100000694244_100012353700 [1,1,0,0,0,0|1,0,0]=3 1478 B13R1.165 C=C(C)c1cc(ccc1N(C)C)F 271570a_100000694244_100012349029 [1,1,0,0,0,0|1,0,0]=3 1479 B13R1.165 C=C(C)c1cc(ccc1N(C)C)N 271570a_100000694244_100011534197 [1,1,0,0,0,0|1,0,0]=3 1480 B13R1.165 C=C(C)c1cc(cnc1N(C)C)N 271570a_100000694244_200012353320 [1,1,0,0,0,0|2,0,0]=4 1481 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)Br 271570a_100000694244_100012349576 [1,1,0,0,0,0|1,0,1]=4 1482 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)C 271570a_100000694244_100012361225 [1,1,0,0,0,0|1,0,1]=4 1483 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)F 271570a_100000694244_100012353695 [1,1,0,0,0,0|1,0,1]=4 1484 B13R1.165 C=C(C)c1ccc(cc1C(=O)C)N 271570a_100000694244_100012349454 [1,1,0,0,0,0|1,0,1]=4 1485 B13R1.165 C=C(C)c1ccc(cc1C(C)C)Br 271570a_100000694244_100010244561 [1,1,0,0,0,0|2,0,0]=4 1486 B13R1.165 C=C(C)c1ccc(cc1N(C)C)O 271570a_100000694244_200010083878 [1,1,0,0,0,0|1,0,0]=3 1487 B13R1.165 CC(=O)c1cc(ccc1C(C)C)C 1458a_200012176289_200000210301 [1,1,0,0,0,0|1,0,0]=3 1488 B13R1.165 CC(=O)c1ccc(cc1N(C)C)Br 1458a_200000744963_200000210301 [1,1,0,0,0,0|0,0,0]=2 1489 B13R1.165 CC(=O)c1ccc(cc1N(C)C)F 27a_100102631434_100000686192 [1,1,0,0,0,0|0,0,0]=2 1490 B13R1.165 CN(C)c1cc(ccc1C(=O)N)Br 27a_100102631434_100009815748 [1,1,0,0,0,0|1,0,0]=3 1491 B13R1.165 CN(C)c1cc(ccc1C(=O)N)F 27a_100102631434_100000206404 [1,1,0,0,0,0|1,0,0]=3 1492 B13R1.165 CN(C)c1cc(ccc1C(=O)[13CH3])Br 1458a_200000744963_200025704644 [1,1,0,0,0,0|0,0,0]=2 1493 B13R1.165 CN(C)c1cc(ccc1[N+](=O)[O-])Br 2230a_100000702581_200000210301 [1,1,0,0,0,0|1,0,1]=4 1494 B13R1.165 CN(C)c1cc(ccc1[N+](=O)[O-])Br 269982a_100000702581_200000210301 [1,1,0,0,0,0|1,0,1]=4 1495 B13R1.165 CN(C)c1cc(ccc1[N+](=O)[O-])Cl 2230a_100000188764_200000210301 [1,1,0,0,0,0|1,0,1]=4 1496 B13R1.165 CN(C)c1cc(ccc1[N+](=O)[O-])Cl 269982a_100000188764_200000210301 [1,1,0,0,0,0|1,0,1]=4 1497 B13R1.165 CN(C)c1cc(ccc1[N+](=O)[O-])F 2230a_100000765406_200000210301 [1,1,0,0,0,0|1,0,1]=4 1498 B13R1.165 CN(C)c1cc(ccc1[N+](=O)[O-])F 269982a_100000765406_200000210301 [1,1,0,0,0,0|1,0,1]=4 1499 B13R1.165 CN(C)c1cc(ccc1[N+](=O)[O-])F 34a_100000765406_200000210301 [1,1,0,0,0,0|1,0,1]=4 1500 B13R1.165 CN(C)c1ccc(cc1C(=O)N)Br 269982a_200010114593_200000210301 [1,1,0,0,0,0|1,0,0]=3 1501 B13R1.165 CN(C)c1ccc(cc1C(=O)N)Br 27a_100102631434_200000162314 [1,1,0,0,0,0|1,0,0]=3 1502 B13R1.165 CN(C)c1ccc(cc1C(=O)N)Br 34a_200010114593_200000210301 [1,1,0,0,0,0|1,0,0]=3 1503 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])Br 2230a_100000752019_200000210301 [1,1,0,0,0,0|1,0,1]=4 1504 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])Br 269982a_100000752019_200000210301 [1,1,0,0,0,0|1,0,1]=4 1505 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])Cl 2230a_100000156513_200000210301 [1,1,0,0,0,0|1,0,1]=4 1506 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])Cl 269982a_100000156513_200000210301 [1,1,0,0,0,0|1,0,1]=4 1507 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])F 2230a_100000197360_200000210301 [1,1,0,0,0,0|1,0,1]=4 1508 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])F 269982a_100000197360_200000210301 [1,1,0,0,0,0|1,0,1]=4 1509 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])F 34a_100000197360_200000210301 [1,1,0,0,0,0|1,0,1]=4 1510 B13R1.165 CN(C)c1ncc(cc1C(=O)N)F 27a_100102631434_100012183597 [1,1,0,0,0,0|2,0,0]=4 1511 B13R1.165 CN([13CH3])c1cc(ccc1[N+](=O)[O-])Br 2230a_100000702581_200025704644 [1,1,0,0,0,0|1,0,1]=4 1512 B13R1.165 CN([13CH3])c1cc(ccc1[N+](=O)[O-])Br 269982a_100000702581_200025704644 [1,1,0,0,0,0|1,0,1]=4 1513 B13R1.165 CN([13CH3])c1cc(ccc1[N+](=O)[O-])Cl 2230a_100000188764_200025704644 [1,1,0,0,0,0|1,0,1]=4 1514 B13R1.165 CN([13CH3])c1cc(ccc1[N+](=O)[O-])Cl 269982a_100000188764_200025704644 [1,1,0,0,0,0|1,0,1]=4 1515 B13R1.165 CN([13CH3])c1cc(ccc1[N+](=O)[O-])F 2230a_100000765406_200025704644 [1,1,0,0,0,0|1,0,1]=4 1516 B13R1.165 CN([13CH3])c1cc(ccc1[N+](=O)[O-])F 269982a_100000765406_200025704644 [1,1,0,0,0,0|1,0,1]=4 1517 B13R1.165 CN([13CH3])c1cc(ccc1[N+](=O)[O-])F 34a_100000765406_200025704644 [1,1,0,0,0,0|1,0,1]=4 1518 B13R1.165 CN([13CH3])c1ccc(cc1C(=O)N)Br 269982a_200010114593_200025704644 [1,1,0,0,0,0|1,0,0]=3 1519 B13R1.165 CN([13CH3])c1ccc(cc1C(=O)N)Br 34a_200010114593_200025704644 [1,1,0,0,0,0|1,0,0]=3 1520 B13R1.165 CN([13CH3])c1ccc(cc1[N+](=O)[O-])Br 2230a_100000752019_200025704644 [1,1,0,0,0,0|1,0,1]=4 1521 B13R1.165 CN([13CH3])c1ccc(cc1[N+](=O)[O-])Br 269982a_100000752019_200025704644 [1,1,0,0,0,0|1,0,1]=4 1522 B13R1.165 CN([13CH3])c1ccc(cc1[N+](=O)[O-])Cl 2230a_100000156513_200025704644 [1,1,0,0,0,0|1,0,1]=4 1523 B13R1.165 CN([13CH3])c1ccc(cc1[N+](=O)[O-])Cl 269982a_100000156513_200025704644 [1,1,0,0,0,0|1,0,1]=4 1524 B13R1.165 CN([13CH3])c1ccc(cc1[N+](=O)[O-])F 2230a_100000197360_200025704644 [1,1,0,0,0,0|1,0,1]=4 1525 B13R1.165 CN([13CH3])c1ccc(cc1[N+](=O)[O-])F 269982a_100000197360_200025704644 [1,1,0,0,0,0|1,0,1]=4 1526 B13R1.165 CN([13CH3])c1ccc(cc1[N+](=O)[O-])F 34a_100000197360_200025704644 [1,1,0,0,0,0|1,0,1]=4 1527 B13R1.165 Cc1ccc(c(c1)C(=O)[13CH3])C(C)C 1458a_200012176289_200025704644 [1,1,0,0,0,0|1,0,0]=3 1528 B13R1.165 Cc1ccc(c(c1)N(C)C)[N+](=O)[O-] 2230a_100012179672_200000210301 [1,1,0,0,0,0|1,0,1]=4 1529 B13R1.165 Cc1ccc(c(c1)N(C)C)[N+](=O)[O-] 269982a_100012179672_200000210301 [1,1,0,0,0,0|1,0,1]=4 1530 B13R1.165 Cc1ccc(c(c1)N(C)[13CH3])[N+](=O)[O-] 2230a_100012179672_200025704644 [1,1,0,0,0,0|1,0,1]=4 1531 B13R1.165 Cc1ccc(c(c1)N(C)[13CH3])[N+](=O)[O-] 269982a_100012179672_200025704644 [1,1,0,0,0,0|1,0,1]=4 1532 B13R1.165 Cc1ccc(c(n1)N(C)C)C(=O)N 27a_100102631434_100000041523 [1,1,0,0,0,0|2,0,0]=4 1533 B13R1.295 C=C(C)c1c(cccc1C(=O)C)F 271570a_100000694244_100012362612 [1,1,0,0,0,0|1,0,1]=4 1534 B13R1.295 C=C(C)c1cccc(c1C(=O)C)F 271570a_100000694244_100012351873 [1,1,0,0,0,0|1,0,1]=4 1535 B13R1.295 C=C(C)c1cccc(c1C(=O)C)O 271570a_100000694244_100010174959 [1,1,0,0,0,0|1,0,1]=4 1536 B13R1.295 CN(C)c1c(cccc1[N+](=O)[O-])Br 269982a_100011093391_200000210301 [1,1,0,0,0,0|1,0,1]=4 1537 B13R1.295 CN(C)c1c(cccc1[N+](=O)[O-])Cl 269982a_200011606563_200000210301 [1,1,0,0,0,0|1,0,1]=4 1538 B13R1.295 CN(C)c1c(cccc1[N+](=O)[O-])F 2230a_200012281166_200000210301 [1,1,0,0,0,0|1,0,1]=4 1539 B13R1.295 CN(C)c1c(cccc1[N+](=O)[O-])F 269982a_200012281166_200000210301 [1,1,0,0,0,0|1,0,1]=4 1540 B13R1.295 CN(C)c1c(cccc1[N+](=O)[O-])F 34a_200012281166_200000210301 [1,1,0,0,0,0|1,0,1]=4 1541 B13R1.295 CN(C)c1cccc(c1C(=O)N)F 27a_100102631434_100011219063 [1,1,0,0,0,0|1,0,0]=3 1542 B13R1.295 CN(C)c1cccc(c1[N+](=O)[O-])Br 2230a_100012362474_200000210301 [1,1,0,0,0,0|1,0,1]=4 1543 B13R1.295 CN(C)c1cccc(c1[N+](=O)[O-])Br 269982a_100012362474_200000210301 [1,1,0,0,0,0|1,0,1]=4 1544 B13R1.295 CN([13CH3])c1c(cccc1[N+](=O)[O-])Br 269982a_100011093391_200025704644 [1,1,0,0,0,0|1,0,1]=4 1545 B13R1.295 CN([13CH3])c1c(cccc1[N+](=O)[O-])Cl 269982a_200011606563_200025704644 [1,1,0,0,0,0|1,0,1]=4 1546 B13R1.295 CN([13CH3])c1c(cccc1[N+](=O)[O-])F 2230a_200012281166_200025704644 [1,1,0,0,0,0|1,0,1]=4 1547 B13R1.295 CN([13CH3])c1c(cccc1[N+](=O)[O-])F 269982a_200012281166_200025704644 [1,1,0,0,0,0|1,0,1]=4 1548 B13R1.295 CN([13CH3])c1c(cccc1[N+](=O)[O-])F 34a_200012281166_200025704644 [1,1,0,0,0,0|1,0,1]=4 1549 B13R1.295 CN([13CH3])c1cccc(c1[N+](=O)[O-])Br 2230a_100012362474_200025704644 [1,1,0,0,0,0|1,0,1]=4 1550 B13R1.295 CN([13CH3])c1cccc(c1[N+](=O)[O-])Br 269982a_100012362474_200025704644 [1,1,0,0,0,0|1,0,1]=4 1551 B13R1.349 C=C(C)c1ccccc1C(C)(C)C 271570a_100000694244_100012339570 [1,1,0,0,0,0|2,0,0]=4 1552 B13R1.349 C=C(C)c1ccccc1C(C)(C)N 271570a_100000694244_100020606264 [1,1,0,0,0,0|2,0,0]=4 1553 B13R1.349 C=C(C)c1ccccc1C(C)(C)O 271570a_100000694244_100011346021 [1,1,0,0,0,0|2,0,0]=4 1554 B13R1.349 CC(=O)c1ccccc1C(C)(C)C 1458a_100000690655_200000210301 [1,1,0,0,0,0|1,0,0]=3 1555 B13R1.349 CC(=O)c1ccccc1S(=O)(=O)C 1458a_100000185186_200000210301 [1,1,0,0,0,0|2,0,0]=4 1556 B13R1.349 CC(C)(C)c1ccccc1C(=O)[13CH3] 1458a_100000690655_200025704644 [1,1,0,0,0,0|1,0,0]=3 1557 B13R1.349 CS(=O)(=O)c1ccccc1C(=O)[13CH3] 1458a_100000185186_200025704644 [1,1,0,0,0,0|2,0,0]=4 1558 B13R1.141 C=C=Cc1ccc(cc1N(C)C)O 271570a_100015277604_200010083878 [1,1,0,0,0,0|1,0,1]=4 1559 B13R1.141 CC=Cc1ccc(cc1C(C)C)Br 271570a_100016259895_100010244561 [1,1,0,0,0,0|2,0,0]=4 1560 B13R1.141 CC=Cc1ccc(cc1N(C)C)O 271570a_100016259895_200010083878 [1,1,0,0,0,0|1,0,0]=3 1561 B13R1.141 CCSc1ccc(cc1N(C)C)O 62a_100000210202_200010083878 [1,1,0,0,0,0|2,0,0]=4 1562 B13R1.356 C=C=Cc1cc(ccc1N(C)C)C 271570a_100015277604_100012353700 [1,1,0,0,0,0|1,0,1]=4 1563 B13R1.356 C=C=Cc1cc(ccc1N(C)C)F 271570a_100015277604_100012349029 [1,1,0,0,0,0|1,0,1]=4 1564 B13R1.356 C=C=Cc1cc(ccc1N(C)C)N 271570a_100015277604_100011534197 [1,1,0,0,0,0|1,0,1]=4 1565 B13R1.356 CC=Cc1cc(ccc1N(C)C)C 271570a_100016259895_100012353700 [1,1,0,0,0,0|1,0,0]=3 1566 B13R1.356 CC=Cc1cc(ccc1N(C)C)F 271570a_100016259895_100012349029 [1,1,0,0,0,0|1,0,0]=3 1567 B13R1.356 CC=Cc1cc(ccc1N(C)C)N 271570a_100016259895_100011534197 [1,1,0,0,0,0|1,0,0]=3 1568 B13R1.356 CC=Cc1cc(cnc1N(C)C)N 271570a_100016259895_200012353320 [1,1,0,0,0,0|2,0,0]=4 1569 B13R1.356 CCSc1cc(ccc1N(C)C)C 62a_100000210202_100012353700 [1,1,0,0,0,0|2,0,0]=4 1570 B13R1.356 CCSc1cc(ccc1N(C)C)C 62a_100012353700_100000210202 [1,1,0,0,0,0|2,0,0]=4 1571 B13R1.356 CCSc1cc(ccc1N(C)C)F 62a_100000210202_100012349029 [1,1,0,0,0,0|2,0,0]=4 1572 B13R1.356 CCSc1cc(ccc1N(C)C)F 62a_100012349029_100000210202 [1,1,0,0,0,0|2,0,0]=4 1573 B13R1.356 CCSc1cc(ccc1N(C)C)N 62a_100000210202_100011534197 [1,1,0,0,0,0|2,0,0]=4 1574 B13R1.356 CCSc1cc(ccc1N(C)C)N 62a_100011534197_100000210202 [1,1,0,0,0,0|2,0,0]=4 1575 B13R1.356 CNCc1cc(ccc1N(C)C)Br 207a_100102657272_100012753127 [1,1,0,0,0,0|1,0,1]=4 1576 B13R1.356 CNCc1cc(ccc1N(C)C)Br 270004a_106832991635_100012753127 [1,1,0,0,0,0|1,0,1]=4 1577 B13R1.381 CC=Cc1ccccc1C(C)(C)C 271570a_100016259895_100012339570 [1,1,0,0,0,0|2,0,0]=4 1578 B13R1.381 CC=Cc1ccccc1C(C)(C)N 271570a_100016259895_100020606264 [1,1,0,0,0,0|2,0,0]=4 1579 B13R1.381 CC=Cc1ccccc1C(C)(C)O 271570a_100016259895_100011346021 [1,1,0,0,0,0|2,0,0]=4 1580 B13R1.572 CCCCc1ccccc1N(C)C 271570a_100020621405_100011290883 [1,1,0,0,0,0|1,0,1]=4 1581 B13R1.572 CCCOc1ccccc1N(C)C 27a_100102631434_100000174042 [1,1,0,0,0,0|1,0,1]=4 1582 B13R1.572 CCCSc1ccccc1N(C)C 62a_100000210303_100011290883 [1,1,0,0,0,0|1,0,1]=4 1583 B13R1.572 CCCSc1ccccc1N(C)C 62a_100011290883_100000210303 [1,1,0,0,0,0|1,0,1]=4 1584 B13R1.572 CCNCc1ccccc1N(C)C 207a_100015525214_100000750901 [1,1,0,0,0,0|1,0,1]=4 1585 B13R1.572 CCNCc1ccccc1N(C)C 270004a_100015525214_100000750901 [1,1,0,0,0,0|1,0,1]=4 1586 B13R1.572 CN(C)c1ccccc1SCCF 62a_100011217306_100011290883 [1,1,0,0,0,0|2,0,0]=4 1587 B13R1.572 CN(C)c1ccccc1SCCF 62a_100011290883_100011217306 [1,1,0,0,0,0|2,0,0]=4 1588 B13R1.572 CN(C)c1ccccc1SCCO 62a_100000211926_100011290883 [1,1,0,0,0,0|2,0,0]=4 1589 B13R1.572 CN(C)c1ccccc1SCCO 62a_100011290883_100000211926 [1,1,0,0,0,0|2,0,0]=4 1590 B13R1.572 COCNc1ccccc1C(C)C 2230a_100000210643_100000766300 [1,1,0,0,0,0|1,0,1]=4 1591 B13R1.572 COCSc1ccccc1C(C)C 62a_100000708600_100000766300 [1,1,0,0,0,0|1,0,1]=4 1592 B13R1.572 COCSc1ccccc1C(C)C 62a_100000766300_100000708600 [1,1,0,0,0,0|1,0,1]=4 1593 B13R1.572 COCSc1ccccc1N(C)C 62a_100000766300_100011290883 [1,1,0,0,0,0|0,0,1]=3 1594 B13R1.572 COCSc1ccccc1N(C)C 62a_100011290883_100000766300 [1,1,0,0,0,0|0,0,1]=3 1595 B13R1.572 COCSc1cccnc1N(C)C 62a_100000766300_100011465059 [1,1,0,0,0,0|1,0,1]=4 1596 B13R1.572 COCSc1cccnc1N(C)C 62a_100011465059_100000766300 [1,1,0,0,0,0|1,0,1]=4 1597 B13R1.572 COCSc1cnccc1N(C)C 62a_100000766300_100012355995 [1,1,0,0,0,0|1,0,1]=4 1598 B13R1.572 COCSc1cnccc1N(C)C 62a_100012355995_100000766300 [1,1,0,0,0,0|1,0,1]=4 1599 B13R1.572 CSCSc1ccccc1N(C)C 62a_100011218213_100011290883 [1,1,0,0,0,0|0,1,1]=4 1600 B13R1.572 CSCSc1ccccc1N(C)C 62a_100011290883_100011218213 [1,1,0,0,0,0|0,1,1]=4 1601 B13R1.589 CC(=Cc1ccccc1C(C)C)C 271570a_100102525489_100011218076 [1,1,0,0,0,0|2,0,0]=4 1602 B13R1.589 CC(=Cc1ccccc1N(C)C)C 271570a_100102525489_100011290883 [1,1,0,0,0,0|1,0,0]=3 1603 B13R1.589 CC(=Cc1cccnc1N(C)C)C 271570a_100102525489_100011465059 [1,1,0,0,0,0|2,0,0]=4 1604 B13R1.589 CC(=Cc1cnccc1N(C)C)C 271570a_100102525489_100012355995 [1,1,0,0,0,0|2,0,0]=4 1605 B13R1.589 CC(=O)Nc1ccccc1N(C)C 11a_100000737595_100015343762 [1,1,0,0,0,0|2,0,0]=4 1606 B13R1.589 CC(=O)Nc1ccccc1N(C)C 1626a_100000737595_100015343762 [1,1,0,0,0,0|2,0,0]=4 1607 B13R1.589 CC(=O)Nc1ccccc1N(C)C 22a_100000737595_100000070787 [1,1,0,0,0,0|2,0,0]=4 1608 B13R1.589 CC(=O)Nc1ccccc1N(C)C 527a_100000737595_100103153847 [1,1,0,0,0,0|2,0,0]=4 1609 B13R1.589 CC(C)Sc1ccccc1N(C)C 62a_100000210206_100011290883 [1,1,0,0,0,0|2,0,0]=4 1610 B13R1.589 CC(C)Sc1ccccc1N(C)C 62a_100011290883_100000210206 [1,1,0,0,0,0|2,0,0]=4 1611 B13R1.589 CN(C)Cc1ccccc1N(C)C 270004a_100102631434_100000750901 [1,1,0,0,0,0|1,0,1]=4 1612 B13R1.4012 CNCc1c(cccc1N(C)C)Br 207a_100102657272_100010365569 [1,1,0,0,0,0|1,0,1]=4 1613 B13R1.4012 CNCc1c(cccc1N(C)C)Br 270004a_106832991635_100010365569 [1,1,0,0,0,0|1,0,1]=4 1614 B13R1.467 CCOC(=O)c1ncsc1N(C)C 27a_100102631434_100010232029 [0,1,0,0,1,0|2,0,0]=4 1615 B15R1.810 C#CCC(=O)c1ccccc1CN(C)C 1458a_100000743624_100000184674 [0,1,0,0,0,1|1,0,1]=4 1616 B15R1.810 C=CCC(=O)c1ccccc1CN(C)C 1458a_100000743624_100000210623 [0,1,0,0,0,1|1,0,1]=4 1617 B15R1.810 C=COC(=O)c1ccccc1SC(C)C 62a_100000210206_200000036168 [0,1,0,0,0,1|1,0,1]=4 1618 B15R1.810 C=COC(=O)c1ccccc1SC(C)C 62a_200000036168_100000210206 [0,1,0,0,0,1|1,0,1]=4 1619 B15R1.810 CC(C)Oc1ccccc1C(=O)CCCl 7a_100009873196_100000210206 [0,1,0,0,0,1|2,0,0]=4 1620 B15R1.810 CC(C)Oc1ccccc1C(=O)CCF 1458a_100000244644_100011217306 [0,1,0,0,0,1|2,0,0]=4 1621 B15R1.810 CC(C)Oc1ccccc1C(=O)CCO 1458a_100000244644_100000211926 [0,1,0,0,0,1|2,0,0]=4 1622 B15R1.810 CC(C)Sc1ccccc1C(=O)CCF 1458a_100000229993_100011217306 [0,1,0,0,0,1|2,0,0]=4 1623 B15R1.810 CC(C)Sc1ccccc1C(=O)CCO 1458a_100000229993_100000211926 [0,1,0,0,0,1|2,0,0]=4 1624 B15R1.810 CCCC(=O)c1ccccc1CN(C)C 1458a_100000743624_100000210303 [0,1,0,0,0,1|1,0,0]=3 1625 B15R1.810 CCCC(=O)c1ccccc1OC(C)C 1458a_100000244644_100000210303 [0,1,0,0,0,1|2,0,0]=4 1626 B15R1.810 CCCC(=O)c1ccccc1OC(C)C 34a_200000073644_100000210206 [0,1,0,0,0,1|2,0,0]=4 1627 B15R1.810 CCCC(=O)c1ccccc1OC(C)C 7a_200000073644_100000210206 [0,1,0,0,0,1|2,0,0]=4 1628 B15R1.810 CCCC(=O)c1ccccc1SC(C)C 1458a_100000229993_100000210303 [0,1,0,0,0,1|2,0,0]=4 1629 B15R1.810 CCNC(=O)c1ccccc1C=C(C)C 271570a_100102525489_200000155173 [0,1,0,0,0,1|2,0,0]=4 1630 B15R1.810 CCNC(=O)c1ccccc1CN(C)C 240690a_100015525214_100000743624 [0,1,0,0,0,1|1,0,0]=3 1631 B15R1.810 CCNC(=O)c1ccccc1NC(C)C 27a_100138425928_200000155173 [0,1,0,0,0,1|2,0,0]=4 1632 B15R1.810 CCNC(=O)c1ccccc1NC(C)C 34a_100000205978_100000210206 [0,1,0,0,0,1|2,0,0]=4 1633 B15R1.810 CCNC(=O)c1ccccc1OC(C)C 11a_100015525214_100000244644 [0,1,0,0,0,1|2,0,0]=4 1634 B15R1.810 CCNC(=O)c1ccccc1OC(C)C 240690a_100015525214_100000244644 [0,1,0,0,0,1|2,0,0]=4 1635 B15R1.810 CCNC(=O)c1ccccc1OC(C)C 34a_100000192205_100000210206 [0,1,0,0,0,1|2,0,0]=4 1636 B15R1.810 CCNC(=O)c1ccccc1OC(C)C 527a_100015525214_100000244644 [0,1,0,0,0,1|2,0,0]=4 1637 B15R1.810 CCNC(=O)c1ccccc1OC(C)C 7a_100000192205_100000210206 [0,1,0,0,0,1|2,0,0]=4 1638 B15R1.810 CCNC(=O)c1ccccc1SC(C)C 11a_100015525214_100000229993 [0,1,0,0,0,1|2,0,0]=4 1639 B15R1.810 CCNC(=O)c1ccccc1SC(C)C 240690a_100015525214_100000229993 [0,1,0,0,0,1|2,0,0]=4 1640 B15R1.810 CCNC(=O)c1ccccc1SC(C)C 527a_100015525214_100000229993 [0,1,0,0,0,1|2,0,0]=4 1641 B15R1.810 CCNC(=O)c1ccccc1SC(C)C 62a_100000210206_200000155173 [0,1,0,0,0,1|2,0,0]=4 1642 B15R1.810 CCNC(=O)c1ccccc1SC(C)C 62a_200000155173_100000210206 [0,1,0,0,0,1|2,0,0]=4 1643 B15R1.810 CCOC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000169879 [0,1,0,0,0,1|1,0,0]=3 1644 B15R1.810 CCOC(=O)c1ccccc1CC(=O)C 1458a_100000070787_100009816840 [0,1,0,0,0,1|2,0,0]=4 1645 B15R1.810 CCOC(=O)c1ccccc1CN(C)C 2230a_100102631434_100009816840 [0,1,0,0,0,1|0,0,0]=2 1646 B15R1.810 CCOC(=O)c1ccccc1CN(C)C 269982a_100102631434_100009816840 [0,1,0,0,0,1|0,0,0]=2 1647 B15R1.810 CCOC(=O)c1ccccc1CN(C)C 270004a_100102631434_200000006220 [0,1,0,0,0,1|0,0,0]=2 1648 B15R1.810 CCOC(=O)c1ccccc1OC(C)C 7a_100000169922_100000210206 [0,1,0,0,0,1|1,0,0]=3 1649 B15R1.810 CCOC(=O)c1ccccc1SC(C)C 62a_100000169876_100000210206 [0,1,0,0,0,1|1,0,0]=3 1650 B15R1.810 CCOC(=O)c1ccccc1SC(C)C 62a_100000210206_100000169879 [0,1,0,0,0,1|1,0,0]=3 1651 B15R1.810 CCOC(=O)c1cccnc1C=C(C)C 271570a_100102525489_100000170124 [0,1,0,0,0,1|2,0,0]=4 1652 B15R1.810 CCOC(=O)c1cccnc1NC(C)C 27a_100138425928_100000170124 [0,1,0,0,0,1|2,0,0]=4 1653 B15R1.810 CCOC(=O)c1cccnc1SC(C)C 62a_100000210206_100000170124 [0,1,0,0,0,1|2,0,0]=4 1654 B15R1.810 CCOC(=O)c1cccnc1SC(C)C 62a_100011291640_100000210206 [0,1,0,0,0,1|2,0,0]=4 1655 B15R1.810 CCOC(=O)c1ccncc1C=C(C)C 271570a_100102525489_100010238393 [0,1,0,0,0,1|2,0,0]=4 1656 B15R1.810 CCOC(=O)c1ccncc1SC(C)C 62a_100000210206_100010238393 [0,1,0,0,0,1|2,0,0]=4 1657 B15R1.810 CCOC(=O)c1ccncc1SC(C)C 62a_100010238393_100000210206 [0,1,0,0,0,1|2,0,0]=4 1658 B15R1.810 CCOC(=O)c1cnccc1C=C(C)C 271570a_100102525489_100016987518 [0,1,0,0,0,1|2,0,0]=4 1659 B15R1.810 CCOC(=O)c1cnccc1NC(C)C 27a_100138425928_100016987518 [0,1,0,0,0,1|2,0,0]=4 1660 B15R1.810 CCOC(=O)c1cnccc1SC(C)C 62a_100000210206_100016987518 [0,1,0,0,0,1|2,0,0]=4 1661 B15R1.810 CCOC(=O)c1ncccc1C=C(C)C 271570a_100102525489_100012351660 [0,1,0,0,0,1|2,0,0]=4 1662 B15R1.810 CCOC(=O)c1ncccc1OC(C)C 7a_200011376064_100000210206 [0,1,0,0,0,1|2,0,0]=4 1663 B15R1.810 CCOC(=O)c1ncccc1SC(C)C 62a_100000210206_100012351660 [0,1,0,0,0,1|2,0,0]=4 1664 B15R1.810 CCOC(=O)c1ncccc1SC(C)C 62a_100012351660_100000210206 [0,1,0,0,0,1|2,0,0]=4 1665 B15R1.810 CN(C)Cc1ccccc1C(=O)CC#N 1458a_100000743624_100011214920 [0,1,0,0,0,1|1,0,1]=4 1666 B15R1.810 CN(C)Cc1ccccc1C(=O)CCF 1458a_100000743624_100011217306 [0,1,0,0,0,1|1,0,0]=3 1667 B15R1.810 CN(C)Cc1ccccc1C(=O)CCO 1458a_100000743624_100000211926 [0,1,0,0,0,1|1,0,0]=3 1668 B15R1.810 CNNC(=O)c1ccccc1CN(C)C 22a_100016993582_100000743624 [0,1,0,0,0,1|1,0,0]=3 1669 B15R1.810 CNNC(=O)c1ccccc1OC(C)C 22a_100016993582_100000244644 [0,1,0,0,0,1|2,0,0]=4 1670 B15R1.810 CNNC(=O)c1ccccc1SC(C)C 22a_100016993582_100000229993 [0,1,0,0,0,1|2,0,0]=4 1671 B15R1.810 CONC(=O)c1ccccc1NC(=O)C 11a_100011599994_100015343762 [0,1,0,0,0,1|2,0,0]=4 1672 B15R1.810 CONC(=O)c1ccccc1NC(=O)C 1626a_100011599994_100015343762 [0,1,0,0,0,1|2,0,0]=4 1673 B15R1.810 CONC(=O)c1ccccc1NC(=O)C 22a_100011599994_100000070787 [0,1,0,0,0,1|2,0,0]=4 1674 B15R1.810 CONC(=O)c1ccccc1NC(C)C 34a_100011599994_100000210206 [0,1,0,0,0,1|1,0,0]=3 1675 B15R1.925 CCC(=O)c1cc(ccc1OC(C)C)Br 1458a_200000243792_100000210202 [0,1,0,0,0,1|2,0,0]=4 1676 B15R1.925 CCC(=O)c1cc(ccc1OC(C)C)Br 7a_100000183607_100000210206 [0,1,0,0,0,1|2,0,0]=4 1677 B15R1.925 CCC(=O)c1cc(ccc1OC(C)C)C 7a_100000183590_100000210206 [0,1,0,0,0,1|2,0,0]=4 1678 B15R1.925 CCC(=O)c1cc(ccc1OC(C)C)Cl 1458a_100000744665_100000210202 [0,1,0,0,0,1|2,0,0]=4 1679 B15R1.925 CCC(=O)c1cc(ccc1OC(C)C)Cl 7a_100000181482_100000210206 [0,1,0,0,0,1|2,0,0]=4 1680 B15R1.925 CCC(=O)c1cc(ccc1OC(C)C)F 34a_100000183209_100000210206 [0,1,0,0,0,1|2,0,0]=4 1681 B15R1.925 CCC(=O)c1cc(ccc1OC(C)C)F 7a_100000183209_100000210206 [0,1,0,0,0,1|2,0,0]=4 1682 B15R1.925 CNC(=O)c1cc(ccc1C=C(C)C)Cl 271570a_100102525489_200011279454 [0,1,0,0,0,1|2,0,0]=4 1683 B15R1.925 CNC(=O)c1cc(ccc1C=C(C)C)F 271570a_100102525489_200000206232 [0,1,0,0,0,1|2,0,0]=4 1684 B15R1.925 CNC(=O)c1cc(ccc1NC(C)C)Br 34a_100000690504_100000210206 [0,1,0,0,0,1|2,0,0]=4 1685 B15R1.925 CNC(=O)c1cc(ccc1NC(C)C)Cl 27a_100138425928_200011279454 [0,1,0,0,0,1|2,0,0]=4 1686 B15R1.925 CNC(=O)c1cc(ccc1NC(C)C)Cl 34a_100000739363_100000210206 [0,1,0,0,0,1|2,0,0]=4 1687 B15R1.925 CNC(=O)c1cc(ccc1NC(C)C)F 27a_100138425928_200000206232 [0,1,0,0,0,1|2,0,0]=4 1688 B15R1.925 CNC(=O)c1cc(ccc1OC(C)C)Br 11a_106832991635_200000243792 [0,1,0,0,0,1|2,0,0]=4 1689 B15R1.925 CNC(=O)c1cc(ccc1OC(C)C)Br 1626a_100102657272_200000243792 [0,1,0,0,0,1|2,0,0]=4 1690 B15R1.925 CNC(=O)c1cc(ccc1OC(C)C)Br 240690a_100102657272_200000243792 [0,1,0,0,0,1|2,0,0]=4 1691 B15R1.925 CNC(=O)c1cc(ccc1OC(C)C)Br 527a_100102657272_200000243792 [0,1,0,0,0,1|2,0,0]=4 1692 B15R1.925 CNC(=O)c1cc(ccc1OC(C)C)Cl 11a_106832991635_100000744665 [0,1,0,0,0,1|2,0,0]=4 1693 B15R1.925 CNC(=O)c1cc(ccc1OC(C)C)Cl 1626a_100102657272_100000744665 [0,1,0,0,0,1|2,0,0]=4 1694 B15R1.925 CNC(=O)c1cc(ccc1OC(C)C)Cl 240690a_100102657272_100000744665 [0,1,0,0,0,1|2,0,0]=4 1695 B15R1.925 CNC(=O)c1cc(ccc1OC(C)C)Cl 527a_100102657272_100000744665 [0,1,0,0,0,1|2,0,0]=4 1696 B15R1.925 CNC(=O)c1cc(ccc1SC(C)C)Cl 62a_100000210206_200011279454 [0,1,0,0,0,1|2,0,0]=4 1697 B15R1.925 CNC(=O)c1cc(ccc1SC(C)C)Cl 62a_200011279454_100000210206 [0,1,0,0,0,1|2,0,0]=4 1698 B15R1.925 CNC(=O)c1cc(ccc1SC(C)C)F 62a_100000210206_200000206232 [0,1,0,0,0,1|2,0,0]=4 1699 B15R1.925 CNC(=O)c1cc(ccc1SC(C)C)F 62a_200000206232_100000210206 [0,1,0,0,0,1|2,0,0]=4 1700 B15R1.925 COC(=O)c1cc(ccc1C=C(C)C)Br 271570a_100102525489_100000148213 [0,1,0,0,0,1|1,0,0]=3 1701 B15R1.925 COC(=O)c1cc(ccc1C=C(C)C)C 271570a_100102525489_100012339458 [0,1,0,0,0,1|1,0,0]=3 1702 B15R1.925 COC(=O)c1cc(ccc1C=C(C)C)Cl 271570a_100102525489_100011294804 [0,1,0,0,0,1|1,0,0]=3 1703 B15R1.925 COC(=O)c1cc(ccc1C=C(C)C)F 271570a_100102525489_100000205820 [0,1,0,0,0,1|1,0,0]=3 1704 B15R1.925 COC(=O)c1cc(ccc1C=C(C)C)N 271570a_100102525489_100000696289 [0,1,0,0,0,1|1,0,0]=3 1705 B15R1.925 COC(=O)c1cc(ccc1C=C(C)C)O 271570a_100102525489_100010230369 [0,1,0,0,0,1|1,0,0]=3 1706 B15R1.925 COC(=O)c1cc(ccc1CC(=O)C)Br 1458a_100000070787_100000728005 [0,1,0,0,0,1|2,0,0]=4 1707 B15R1.925 COC(=O)c1cc(ccc1CC(=O)C)Cl 1458a_100000070787_100012352085 [0,1,0,0,0,1|2,0,0]=4 1708 B15R1.925 COC(=O)c1cc(ccc1CC(=O)C)F 1458a_100000070787_100000751459 [0,1,0,0,0,1|2,0,0]=4 1709 B15R1.925 COC(=O)c1cc(ccc1CC(=O)C)I 1458a_100000070787_100011096949 [0,1,0,0,0,1|2,0,0]=4 1710 B15R1.925 COC(=O)c1cc(ccc1CN(C)C)Br 2230a_100102631434_100000728005 [0,1,0,0,0,1|0,0,0]=2 1711 B15R1.925 COC(=O)c1cc(ccc1CN(C)C)Br 269982a_100102631434_100000728005 [0,1,0,0,0,1|0,0,0]=2 1712 B15R1.925 COC(=O)c1cc(ccc1CN(C)C)Cl 2230a_100102631434_100012352085 [0,1,0,0,0,1|0,0,0]=2 1713 B15R1.925 COC(=O)c1cc(ccc1CN(C)C)Cl 269982a_100102631434_100012352085 [0,1,0,0,0,1|0,0,0]=2 1714 B15R1.925 COC(=O)c1cc(ccc1CN(C)C)F 2230a_100102631434_100000751459 [0,1,0,0,0,1|0,0,0]=2 1715 B15R1.925 COC(=O)c1cc(ccc1CN(C)C)F 269982a_100102631434_100000751459 [0,1,0,0,0,1|0,0,0]=2 1716 B15R1.925 COC(=O)c1cc(ccc1CN(C)C)I 2230a_100102631434_100011096949 [0,1,0,0,0,1|0,0,0]=2 1717 B15R1.925 COC(=O)c1cc(ccc1CN(C)C)I 269982a_100102631434_100011096949 [0,1,0,0,0,1|0,0,0]=2 1718 B15R1.925 COC(=O)c1cc(ccc1NC(=O)C)O 271570a_203496583355_200009811626 [0,1,0,0,0,1|2,0,0]=4 1719 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)Br 34a_100000149267_100000210206 [0,1,0,0,0,1|1,0,0]=3 1720 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)Br 7a_100000149267_100000210206 [0,1,0,0,0,1|1,0,0]=3 1721 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)C 34a_100000216618_100000210206 [0,1,0,0,0,1|1,0,0]=3 1722 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)C 7a_100000216618_100000210206 [0,1,0,0,0,1|1,0,0]=3 1723 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)Cl 34a_100000149278_100000210206 [0,1,0,0,0,1|1,0,0]=3 1724 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)Cl 7a_100000149278_100000210206 [0,1,0,0,0,1|1,0,0]=3 1725 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)F 34a_100011219540_100000210206 [0,1,0,0,0,1|1,0,0]=3 1726 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)F 7a_100011219540_100000210206 [0,1,0,0,0,1|1,0,0]=3 1727 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)I 34a_100000149868_100000210206 [0,1,0,0,0,1|1,0,0]=3 1728 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)I 7a_100000149868_100000210206 [0,1,0,0,0,1|1,0,0]=3 1729 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)N 34a_100011246163_100000210206 [0,1,0,0,0,1|1,0,0]=3 1730 B15R1.925 COC(=O)c1cc(ccc1OC(C)C)N 7a_100011246163_100000210206 [0,1,0,0,0,1|1,0,0]=3 1731 B15R1.925 COC(=O)c1cc(ccc1SC(C)C)Br 62a_100000148213_100000210206 [0,1,0,0,0,1|1,0,0]=3 1732 B15R1.925 COC(=O)c1cc(ccc1SC(C)C)Br 62a_100000210206_100000148213 [0,1,0,0,0,1|1,0,0]=3 1733 B15R1.925 COC(=O)c1cc(ccc1SC(C)C)C 62a_100000210206_100012339458 [0,1,0,0,0,1|1,0,0]=3 1734 B15R1.925 COC(=O)c1cc(ccc1SC(C)C)C 62a_100012339458_100000210206 [0,1,0,0,0,1|1,0,0]=3 1735 B15R1.925 COC(=O)c1cc(ccc1SC(C)C)Cl 62a_100000210206_100011294804 [0,1,0,0,0,1|1,0,0]=3 1736 B15R1.925 COC(=O)c1cc(ccc1SC(C)C)Cl 62a_100011294804_100000210206 [0,1,0,0,0,1|1,0,0]=3 1737 B15R1.925 COC(=O)c1cc(ccc1SC(C)C)F 62a_100000205820_100000210206 [0,1,0,0,0,1|1,0,0]=3 1738 B15R1.925 COC(=O)c1cc(ccc1SC(C)C)F 62a_100000210206_100000205820 [0,1,0,0,0,1|1,0,0]=3 1739 B15R1.925 COC(=O)c1cc(ccc1SC(C)C)N 62a_100000210206_100011794239 [0,1,0,0,0,1|1,0,0]=3 1740 B15R1.925 COC(=O)c1cc(ccc1SC(C)C)N 62a_100000696289_100000210206 [0,1,0,0,0,1|1,0,0]=3 1741 B15R1.925 COC(=O)c1cc(ccc1SC(C)C)O 62a_100000210206_100010230369 [0,1,0,0,0,1|1,0,0]=3 1742 B15R1.925 COC(=O)c1cc(ccc1SC(C)C)O 62a_100010230369_100000210206 [0,1,0,0,0,1|1,0,0]=3 1743 B15R1.925 COC(=O)c1cc(cnc1C=C(C)C)C 271570a_100102525489_100000085774 [0,1,0,0,0,1|2,0,0]=4 1744 B15R1.925 COC(=O)c1cc(cnc1C=C(C)C)F 271570a_100102525489_100012000215 [0,1,0,0,0,1|2,0,0]=4 1745 B15R1.925 COC(=O)c1cc(cnc1C=C(C)C)N 271570a_100102525489_200012182668 [0,1,0,0,0,1|2,0,0]=4 1746 B15R1.925 COC(=O)c1cc(cnc1NC(C)C)C 27a_100138425928_100000085774 [0,1,0,0,0,1|2,0,0]=4 1747 B15R1.925 COC(=O)c1cc(cnc1SC(C)C)C 62a_100000210206_100000085774 [0,1,0,0,0,1|2,0,0]=4 1748 B15R1.925 COC(=O)c1cc(cnc1SC(C)C)C 62a_100010162703_100000210206 [0,1,0,0,0,1|2,0,0]=4 1749 B15R1.925 COC(=O)c1cc(cnc1SC(C)C)F 62a_100000210206_100012000215 [0,1,0,0,0,1|2,0,0]=4 1750 B15R1.925 COC(=O)c1cc(cnc1SC(C)C)F 62a_100012000215_100000210206 [0,1,0,0,0,1|2,0,0]=4 1751 B15R1.925 COC(=O)c1cc(cnc1SC(C)C)N 62a_100000210206_200012182668 [0,1,0,0,0,1|2,0,0]=4 1752 B15R1.925 COC(=O)c1cc(cnc1SC(C)C)N 62a_200012182668_100000210206 [0,1,0,0,0,1|2,0,0]=4 1753 B15R1.925 COC(=O)c1cc(ncc1C=C(C)C)N 271570a_100102525489_100011934820 [0,1,0,0,0,1|2,0,0]=4 1754 B15R1.925 COC(=O)c1cc(ncc1C=C(C)C)O 271570a_100102525489_100009816900 [0,1,0,0,0,1|2,0,0]=4 1755 B15R1.925 COC(=O)c1cc(ncc1OC(C)C)Br 34a_100010136202_100000210206 [0,1,0,0,0,1|2,0,0]=4 1756 B15R1.925 COC(=O)c1cc(ncc1OC(C)C)Br 7a_100010136202_100000210206 [0,1,0,0,0,1|2,0,0]=4 1757 B15R1.925 COC(=O)c1cc(ncc1SC(C)C)N 62a_100000210206_100011934820 [0,1,0,0,0,1|2,0,0]=4 1758 B15R1.925 COC(=O)c1cc(ncc1SC(C)C)N 62a_100011934820_100000210206 [0,1,0,0,0,1|2,0,0]=4 1759 B15R1.925 COC(=O)c1cc(ncc1SC(C)C)O 62a_100000210206_100009816900 [0,1,0,0,0,1|2,0,0]=4 1760 B15R1.925 COC(=O)c1cc(ncc1SC(C)C)O 62a_100009816900_100000210206 [0,1,0,0,0,1|2,0,0]=4 1761 B15R1.925 COC(=O)c1nc(ccc1C=C(C)C)N 271570a_100102525489_100009816986 [0,1,0,0,0,1|2,0,0]=4 1762 B15R1.925 COC(=O)c1nc(ccc1C=C(C)C)O 271570a_100102525489_100010189638 [0,1,0,0,0,1|2,0,0]=4 1763 B15R1.925 COC(=O)c1nc(ccc1OC(C)C)Br 34a_100000697862_100000210206 [0,1,0,0,0,1|2,0,0]=4 1764 B15R1.925 COC(=O)c1nc(ccc1OC(C)C)Br 7a_100000697862_100000210206 [0,1,0,0,0,1|2,0,0]=4 1765 B15R1.925 COC(=O)c1nc(ccc1OC(C)C)C 34a_100009869402_100000210206 [0,1,0,0,0,1|2,0,0]=4 1766 B15R1.925 COC(=O)c1nc(ccc1OC(C)C)C 7a_100009869402_100000210206 [0,1,0,0,0,1|2,0,0]=4 1767 B15R1.925 COC(=O)c1nc(ccc1SC(C)C)N 62a_100009816986_100000210206 [0,1,0,0,0,1|2,0,0]=4 1768 B15R1.984 CCC(=O)c1ccccc1C(=O)N(C)C 1458a_200000753992_100000210202 [0,1,0,0,0,1|1,0,0]=3 1769 B15R1.984 CN(C)C(=O)c1ccccc1C(=O)CF 1458a_200000753992_100015361967 [0,1,0,0,0,1|2,0,0]=4 1770 B15R1.984 CNC(=O)c1ccccc1C(=C(C)C)C 271570a_200000049429_100000155073 [0,1,0,0,0,1|2,0,0]=4 1771 B15R1.984 CNC(=O)c1ccccc1C(=O)N(C)C 240690a_100102657272_200000753992 [0,1,0,0,0,1|1,0,0]=3 1772 B15R1.984 CNC(=O)c1ccccc1N(C)C(C)C 27a_200000211004_100000155073 [0,1,0,0,0,1|2,0,0]=4 1773 B15R1.984 COC(=O)c1ccccc1C(=C(C)C)C 271570a_200000049429_100000148710 [0,1,0,0,0,1|1,0,0]=3 1774 B15R1.984 COC(=O)c1ccccc1C(=O)C(C)C 1458a_100011215673_100000210206 [0,1,0,0,0,1|1,0,0]=3 1775 B15R1.984 COC(=O)c1ccccc1C(=O)N(C)C 1626a_100102631434_100011215673 [0,1,0,0,0,1|0,0,0]=2 1776 B15R1.984 COC(=O)c1ccccc1C(=O)N(C)C 240690a_100102631434_100011215673 [0,1,0,0,0,1|0,0,0]=2 1777 B15R1.984 COC(=O)c1ccccc1N(C)C(=O)C 11a_100000170468_100015343762 [0,1,0,0,0,1|2,0,0]=4 1778 B15R1.984 COC(=O)c1ccccc1N(C)C(=O)C 1626a_100000170468_100015343762 [0,1,0,0,0,1|2,0,0]=4 1779 B15R1.984 COC(=O)c1ccccc1N(C)C(C)C 269982a_100000170468_100000210206 [0,1,0,0,0,1|1,0,0]=3 1780 B15R1.984 COC(=O)c1ccccc1N(C)C(C)C 34a_100000170468_100000210206 [0,1,0,0,0,1|1,0,0]=3 1781 B15R1.984 COC(=O)c1cccnc1C(=C(C)C)C 271570a_200000049429_100000150852 [0,1,0,0,0,1|2,0,0]=4 1782 B15R1.984 COC(=O)c1cccnc1N(C)C(C)C 27a_200000211004_100000150852 [0,1,0,0,0,1|2,0,0]=4 1783 B15R1.984 COC(=O)c1ccncc1C(=C(C)C)C 271570a_200000049429_100010008606 [0,1,0,0,0,1|2,0,0]=4 1784 B15R1.984 COC(=O)c1cnccc1C(=C(C)C)C 271570a_200000049429_100020629055 [0,1,0,0,0,1|2,0,0]=4 1785 B15R1.984 COC(=O)c1ncccc1C(=C(C)C)C 271570a_200000049429_100011935214 [0,1,0,0,0,1|2,0,0]=4 1786 B15R1.1086 CC(=C(C)c1ccccc1CN(C)C)C 271570a_200000049429_100000174758 [0,1,0,0,0,1|2,0,0]=4 1787 B15R1.1086 CC(=Cc1ccccc1C(=O)N(C)C)C 271570a_100102525489_100000159526 [0,1,0,0,0,1|2,0,0]=4 1788 B15R1.1086 CC(C)C(=O)c1ccccc1CN(C)C 1458a_100000743624_100000210206 [0,1,0,0,0,1|1,0,0]=3 1789 B15R1.1086 CC(C)Nc1ccccc1C(=O)N(C)C 34a_100000188421_100000210206 [0,1,0,0,0,1|2,0,0]=4 1790 B15R1.1086 CC(C)Oc1ccccc1C(=O)C(C)C 1458a_100000244644_100000210206 [0,1,0,0,0,1|2,0,0]=4 1791 B15R1.1086 CC(C)Oc1ccccc1C(=O)N(C)C 11a_100102631434_100000244644 [0,1,0,0,0,1|2,0,0]=4 1792 B15R1.1086 CC(C)Oc1ccccc1C(=O)N(C)C 1626a_100102631434_100000244644 [0,1,0,0,0,1|2,0,0]=4 1793 B15R1.1086 CC(C)Oc1ccccc1C(=O)N(C)C 240690a_100102631434_100000244644 [0,1,0,0,0,1|2,0,0]=4 1794 B15R1.1086 CC(C)Oc1ccccc1C(=O)N(C)C 34a_100000192106_100000210206 [0,1,0,0,0,1|2,0,0]=4 1795 B15R1.1086 CC(C)Oc1ccccc1C(=O)N(C)C 527a_100102631434_100000244644 [0,1,0,0,0,1|2,0,0]=4 1796 B15R1.1086 CC(C)Oc1ccccc1C(=O)N(C)C 7a_100000192106_100000210206 [0,1,0,0,0,1|2,0,0]=4 1797 B15R1.1086 CC(C)Sc1ccccc1C(=O)C(C)C 1458a_100000229993_100000210206 [0,1,0,0,0,1|2,0,0]=4 1798 B15R1.1086 CC(C)Sc1ccccc1C(=O)N(C)C 11a_100102631434_100000229993 [0,1,0,0,0,1|2,0,0]=4 1799 B15R1.1086 CC(C)Sc1ccccc1C(=O)N(C)C 1626a_100102631434_100000229993 [0,1,0,0,0,1|2,0,0]=4 1800 B15R1.1086 CC(C)Sc1ccccc1C(=O)N(C)C 240690a_100102631434_100000229993 [0,1,0,0,0,1|2,0,0]=4 1801 B15R1.1086 CC(C)Sc1ccccc1C(=O)N(C)C 527a_100102631434_100000229993 [0,1,0,0,0,1|2,0,0]=4 1802 B15R1.1086 CC(C)Sc1ccccc1C(=O)N(C)C 62a_100000159526_100000210206 [0,1,0,0,0,1|2,0,0]=4 1803 B15R1.1086 CC(C)Sc1ccccc1C(=O)N(C)C 62a_100000210206_100000159526 [0,1,0,0,0,1|2,0,0]=4 1804 B15R1.1086 CN(C)Cc1ccccc1C(=O)N(C)C 1626a_100102631434_100000743624 [0,1,0,0,0,1|1,0,0]=3 1805 B15R1.1086 CN(C)Cc1ccccc1C(=O)N(C)C 240690a_100102631434_100000743624 [0,1,0,0,0,1|1,0,0]=3 1806 B15R1.3847 C#CC(C)Sc1ccccc1C(=O)OC 62a_200000035995_100000148710 [0,1,0,0,0,1|1,0,1]=4 1807 B15R1.3847 C=CC(C)Sc1ccccc1C(=O)OC 62a_100011215867_100000148710 [0,1,0,0,0,1|1,0,1]=4 1808 B15R1.3847 CC(CO)Sc1ccccc1C(=O)O[Na] 62a_100012180447_114855342371 [0,1,0,0,0,1|2,0,0]=4 1809 B15R1.3847 CCC(=O)Cc1ccccc1C(=O)OC 1458a_100000210414_100000744672 [0,1,0,0,0,1|2,0,0]=4 1810 B15R1.3847 CCC(=O)Cc1ccccc1C(=O)OC 1458a_100000695166_100000210202 [0,1,0,0,0,1|2,0,0]=4 1811 B15R1.3847 CCC(=O)c1ccccc1OC(C)CC 7a_100000184720_100000758301 [0,1,0,0,0,1|2,0,0]=4 1812 B15R1.3847 CCC(=O)c1ccccc1OC(C)CO 7a_100000184720_100012180447 [0,1,0,0,0,1|2,0,0]=4 1813 B15R1.3847 CCC(C)Nc1ccccc1C(=O)NC 34a_100000185696_100011215416 [0,1,0,0,0,1|2,0,0]=4 1814 B15R1.3847 CCC(C)Oc1ccccc1C(=O)NC 34a_100000185920_100011215416 [0,1,0,0,0,1|2,0,0]=4 1815 B15R1.3847 CCC(C)Oc1ccccc1C(=O)NC 7a_100000185920_100000758301 [0,1,0,0,0,1|2,0,0]=4 1816 B15R1.3847 CCC(C)Oc1ccccc1C(=O)OC 7a_100000150335_100000758301 [0,1,0,0,0,1|1,0,0]=3 1817 B15R1.3847 CCC(C)Oc1cccnc1C(=O)OC 34a_100000744052_100011215416 [0,1,0,0,0,1|2,0,0]=4 1818 B15R1.3847 CCC(C)Oc1cccnc1C(=O)OC 7a_100000744052_100000758301 [0,1,0,0,0,1|2,0,0]=4 1819 B15R1.3847 CCC(C)Sc1ccccc1C(=O)NC 62a_100000155073_100000758301 [0,1,0,0,0,1|2,0,0]=4 1820 B15R1.3847 CCC(C)Sc1ccccc1C(=O)NC 62a_100000758301_100000155073 [0,1,0,0,0,1|2,0,0]=4 1821 B15R1.3847 CCC(C)Sc1ccccc1C(=O)OC 62a_100000148710_100000758301 [0,1,0,0,0,1|1,0,0]=3 1822 B15R1.3847 CCC(C)Sc1ccccc1C(=O)OC 62a_100000758301_100000148710 [0,1,0,0,0,1|1,0,0]=3 1823 B15R1.3847 CCC(C)Sc1ccccc1C(=O)O[Na] 62a_100000758301_114855342371 [0,1,0,0,0,1|2,0,0]=4 1824 B15R1.3847 CCC(C)Sc1cccnc1C(=O)OC 62a_100000758301_100011935214 [0,1,0,0,0,1|2,0,0]=4 1825 B15R1.3847 CCC(C)Sc1cccnc1C(=O)OC 62a_100011935214_100000758301 [0,1,0,0,0,1|2,0,0]=4 1826 B15R1.3847 CCC(C)Sc1ccncc1C(=O)OC 62a_100000758301_100020629055 [0,1,0,0,0,1|2,0,0]=4 1827 B15R1.3847 CCC(C)Sc1ccncc1C(=O)OC 62a_100020629055_100000758301 [0,1,0,0,0,1|2,0,0]=4 1828 B15R1.3847 CCC(C)Sc1cnccc1C(=O)OC 62a_100000758301_100010008606 [0,1,0,0,0,1|2,0,0]=4 1829 B15R1.3847 CCC(C)Sc1cnccc1C(=O)OC 62a_100010008606_100000758301 [0,1,0,0,0,1|2,0,0]=4 1830 B15R1.3847 CCC(C)Sc1ncccc1C(=O)OC 62a_100000758301_100000150852 [0,1,0,0,0,1|2,0,0]=4 1831 B15R1.3847 CCC(C)Sc1ncccc1C(=O)OC 62a_100011587185_100000758301 [0,1,0,0,0,1|2,0,0]=4 1832 B15R1.3847 CCN(C)Cc1ccccc1C(=O)OC 2230a_100000225621_100000744672 [0,1,0,0,0,1|0,0,0]=2 1833 B15R1.3847 CCN(C)Cc1ccccc1C(=O)OC 269982a_100000225621_100000744672 [0,1,0,0,0,1|0,0,0]=2 1834 B15R1.3847 CCN(C)Cc1cccnc1C(=O)OC 2230a_100000225621_100010177730 [0,1,0,0,0,1|1,0,0]=3 1835 B15R1.3847 CCN(C)Cc1cccnc1C(=O)OC 269982a_100000225621_100010177730 [0,1,0,0,0,1|1,0,0]=3 1836 B15R1.3847 CCN(C)Cc1ncccc1C(=O)OC 2230a_100000225621_100000709840 [0,1,0,0,0,1|1,0,0]=3 1837 B15R1.3847 CCN(C)Cc1ncccc1C(=O)OC 269982a_100000225621_100012347567 [0,1,0,0,0,1|1,0,0]=3 1838 B15R1.3847 CNC(=O)Cc1ccccc1C(=O)OC 11a_106832991635_100000695166 [0,1,0,0,0,1|2,0,0]=4 1839 B15R1.3847 CNC(=O)Cc1ccccc1C(=O)OC 1626a_100102657272_100000695166 [0,1,0,0,0,1|2,0,0]=4 1840 B15R1.3847 CNC(=O)Cc1ccccc1C(=O)OC 240690a_100102657272_100000695166 [0,1,0,0,0,1|2,0,0]=4 1841 B15R1.3847 CNC(=O)c1ccccc1NC(C)CO 34a_100000185696_100012180447 [0,1,0,0,0,1|2,0,0]=4 1842 B15R1.3847 CNC(=O)c1ccccc1N[C@H](C)CF 27a_100102880703_100000155073 [0,1,0,0,0,1|2,0,0]=4 1843 B15R1.3847 CNC(=O)c1ccccc1N[C@H](C)CO 27a_100000737577_100000155073 [0,1,0,0,0,1|2,0,0]=4 1844 B15R1.3847 CNC(=O)c1ccccc1OC(C)CO 34a_100000185920_100012180447 [0,1,0,0,0,1|2,0,0]=4 1845 B15R1.3847 CNC(=O)c1ccccc1OC(C)CO 7a_100000185920_100012180447 [0,1,0,0,0,1|2,0,0]=4 1846 B15R1.3847 CNC(=O)c1ccccc1SC(C)CO 62a_100012180447_100000155073 [0,1,0,0,0,1|2,0,0]=4 1847 B15R1.3847 CNC(=O)c1ccccc1SC(C)OC 62a_100000155073_100009879195 [0,1,0,0,0,1|2,0,0]=4 1848 B15R1.3847 CNC(=O)c1ccccc1SC(C)OC 62a_100009879195_100000155073 [0,1,0,0,0,1|2,0,0]=4 1849 B15R1.3847 CNC(=O)c1ccccc1S[C@H](C)CO 62a_100000155073_100016084084 [0,1,0,0,0,1|2,0,0]=4 1850 B15R1.3847 CNC(=O)c1ccccc1S[C@H](C)CO 62a_100016084084_100000155073 [0,1,0,0,0,1|2,0,0]=4 1851 B15R1.3847 COC(=O)c1ccccc1CC(=O)CF 1458a_100000695166_100015361967 [0,1,0,0,0,1|2,0,0]=4 1852 B15R1.3847 COC(=O)c1ccccc1CC(=O)CO 1458a_100000210174_100000744672 [0,1,0,0,0,1|2,0,0]=4 1853 B15R1.3847 COC(=O)c1ccccc1OC(C)C#N 7a_100000150335_100000703298 [0,1,0,0,0,1|1,0,1]=4 1854 B15R1.3847 COC(=O)c1ccccc1OC(C)CO 7a_100000150335_100012180447 [0,1,0,0,0,1|1,0,0]=3 1855 B15R1.3847 COC(=O)c1ccccc1SC(C)C#N 62a_100000148710_100000703298 [0,1,0,0,0,1|1,0,1]=4 1856 B15R1.3847 COC(=O)c1ccccc1SC(C)C#N 62a_100000703298_100000148710 [0,1,0,0,0,1|1,0,1]=4 1857 B15R1.3847 COC(=O)c1ccccc1SC(C)CO 62a_100012180447_100000148710 [0,1,0,0,0,1|1,0,0]=3 1858 B15R1.3847 COC(=O)c1ccccc1SC(C)OC 62a_100000148710_100009879195 [0,1,0,0,0,1|1,0,0]=3 1859 B15R1.3847 COC(=O)c1ccccc1SC(C)OC 62a_100009879195_100000148710 [0,1,0,0,0,1|1,0,0]=3 1860 B15R1.3847 COC(=O)c1ccccc1S[C@H](C)CO 62a_100000148710_100016084084 [0,1,0,0,0,1|1,0,0]=3 1861 B15R1.3847 COC(=O)c1ccccc1S[C@H](C)CO 62a_100016084084_100000148710 [0,1,0,0,0,1|1,0,0]=3 1862 B15R1.3847 COC(=O)c1cccnc1N[C@H](C)CF 27a_100102880703_100000150852 [0,1,0,0,0,1|2,0,0]=4 1863 B15R1.3847 COC(=O)c1cccnc1N[C@H](C)CO 27a_100000737577_100000150852 [0,1,0,0,0,1|2,0,0]=4 1864 B15R1.3847 COC(=O)c1cccnc1SC(C)CO 62a_100012180447_100000150852 [0,1,0,0,0,1|2,0,0]=4 1865 B15R1.3847 COC(=O)c1cccnc1SC(C)OC 62a_100009879195_100000150852 [0,1,0,0,0,1|2,0,0]=4 1866 B15R1.3847 COC(=O)c1cccnc1SC(C)OC 62a_100011587185_100009879195 [0,1,0,0,0,1|2,0,0]=4 1867 B15R1.3847 COC(=O)c1cccnc1S[C@H](C)CO 62a_100011587185_100016084084 [0,1,0,0,0,1|2,0,0]=4 1868 B15R1.3847 COC(=O)c1cccnc1S[C@H](C)CO 62a_100016084084_100000150852 [0,1,0,0,0,1|2,0,0]=4 1869 B15R1.3847 COC(=O)c1ccncc1SC(C)CO 62a_100012180447_100010008606 [0,1,0,0,0,1|2,0,0]=4 1870 B15R1.3847 COC(=O)c1ccncc1SC(C)OC 62a_100009879195_100010008606 [0,1,0,0,0,1|2,0,0]=4 1871 B15R1.3847 COC(=O)c1ccncc1SC(C)OC 62a_100010008606_100009879195 [0,1,0,0,0,1|2,0,0]=4 1872 B15R1.3847 COC(=O)c1ccncc1S[C@H](C)CO 62a_100010008606_100016084084 [0,1,0,0,0,1|2,0,0]=4 1873 B15R1.3847 COC(=O)c1ccncc1S[C@H](C)CO 62a_100016084084_100010008606 [0,1,0,0,0,1|2,0,0]=4 1874 B15R1.3847 COC(=O)c1cnccc1SC(C)CO 62a_100012180447_100020629055 [0,1,0,0,0,1|2,0,0]=4 1875 B15R1.3847 COC(=O)c1cnccc1SC(C)OC 62a_100009879195_100020629055 [0,1,0,0,0,1|2,0,0]=4 1876 B15R1.3847 COC(=O)c1cnccc1SC(C)OC 62a_100020629055_100009879195 [0,1,0,0,0,1|2,0,0]=4 1877 B15R1.3847 COC(=O)c1cnccc1S[C@H](C)CO 62a_100016084084_100020629055 [0,1,0,0,0,1|2,0,0]=4 1878 B15R1.3847 COC(=O)c1cnccc1S[C@H](C)CO 62a_100020629055_100016084084 [0,1,0,0,0,1|2,0,0]=4 1879 B15R1.3847 COC(=O)c1ncccc1OC(C)CO 34a_100000744052_100012180447 [0,1,0,0,0,1|2,0,0]=4 1880 B15R1.3847 COC(=O)c1ncccc1OC(C)CO 7a_100000744052_100012180447 [0,1,0,0,0,1|2,0,0]=4 1881 B15R1.3847 COC(=O)c1ncccc1SC(C)CO 62a_100012180447_100011935214 [0,1,0,0,0,1|2,0,0]=4 1882 B15R1.3847 COC(=O)c1ncccc1SC(C)OC 62a_100009879195_100011935214 [0,1,0,0,0,1|2,0,0]=4 1883 B15R1.3847 COC(=O)c1ncccc1SC(C)OC 62a_100011935214_100009879195 [0,1,0,0,0,1|2,0,0]=4 1884 B15R1.3847 COC(=O)c1ncccc1S[C@H](C)CO 62a_100011935214_100016084084 [0,1,0,0,0,1|2,0,0]=4 1885 B15R1.3847 COC(=O)c1ncccc1S[C@H](C)CO 62a_100016084084_100011935214 [0,1,0,0,0,1|2,0,0]=4 1886 B15R1.3847 COC(C)Sc1ccccc1C(=O)O[Na] 62a_100009879195_114855342371 [0,1,0,0,0,1|2,0,0]=4 1887 B15R1.3847 C[C@H](CO)Sc1ccccc1C(=O)O[Na] 62a_100016084084_114855342371 [0,1,0,0,0,1|2,0,0]=4 1888 B15R1.11372 CC(C)(C)Sc1ccccc1C(=O)O[Na] 62a_100000211941_114855342371 [0,1,0,0,0,1|2,0,0]=4 1889 B15R1.11372 CCC(=O)c1ccccc1CC(C)(C)C 1458a_100000092085_100000210202 [0,1,0,0,0,1|2,0,0]=4 1890 B15R1.11372 CNC(=O)c1ccccc1CC(C)(C)C 11a_106832991635_100000092085 [0,1,0,0,0,1|2,0,0]=4 1891 B15R1.11372 CNC(=O)c1ccccc1CC(C)(C)C 1626a_100102657272_100000092085 [0,1,0,0,0,1|2,0,0]=4 1892 B15R1.11372 CNC(=O)c1ccccc1CC(C)(C)C 240690a_100102657272_100000092085 [0,1,0,0,0,1|2,0,0]=4 1893 B15R1.11372 CNC(=O)c1ccccc1CC(C)(C)C 527a_100102657272_100000092085 [0,1,0,0,0,1|2,0,0]=4 1894 B15R1.11372 CNC(=O)c1ccccc1NC(C)(C)C 34a_100000185696_100000210625 [0,1,0,0,0,1|2,0,0]=4 1895 B15R1.11372 CNC(=O)c1ccccc1OC(C)(C)C 34a_100000185920_100000210625 [0,1,0,0,0,1|2,0,0]=4 1896 B15R1.11372 CNC(=O)c1ccccc1SC(C)(C)C 62a_100000155073_100000211941 [0,1,0,0,0,1|2,0,0]=4 1897 B15R1.11372 CNC(=O)c1ccccc1SC(C)(C)C 62a_100000211941_100000155073 [0,1,0,0,0,1|2,0,0]=4 1898 B15R1.11372 COC(=O)c1ccccc1SC(C)(C)C 62a_100000148710_100000211941 [0,1,0,0,0,1|1,0,0]=3 1899 B15R1.11372 COC(=O)c1ccccc1SC(C)(C)C 62a_100000211941_100000148710 [0,1,0,0,0,1|1,0,0]=3 1900 B15R1.11372 COC(=O)c1cccnc1SC(C)(C)C 62a_100000211941_100000150852 [0,1,0,0,0,1|2,0,0]=4 1901 B15R1.11372 COC(=O)c1cccnc1SC(C)(C)C 62a_100011587185_100000211941 [0,1,0,0,0,1|2,0,0]=4 1902 B15R1.11372 COC(=O)c1ccncc1SC(C)(C)C 62a_100000211941_100010008606 [0,1,0,0,0,1|2,0,0]=4 1903 B15R1.11372 COC(=O)c1ccncc1SC(C)(C)C 62a_100010008606_100000211941 [0,1,0,0,0,1|2,0,0]=4 1904 B15R1.11372 COC(=O)c1cnccc1SC(C)(C)C 62a_100000211941_100020629055 [0,1,0,0,0,1|2,0,0]=4 1905 B15R1.11372 COC(=O)c1cnccc1SC(C)(C)C 62a_100020629055_100000211941 [0,1,0,0,0,1|2,0,0]=4 1906 B15R1.11372 COC(=O)c1ncccc1OC(C)(C)C 34a_100000744052_100000210625 [0,1,0,0,0,1|2,0,0]=4 1907 B15R1.11372 COC(=O)c1ncccc1SC(C)(C)C 62a_100000211941_100011935214 [0,1,0,0,0,1|2,0,0]=4 1908 B15R1.11372 COC(=O)c1ncccc1SC(C)(C)C 62a_100011935214_100000211941 [0,1,0,0,0,1|2,0,0]=4 1909 B15R1.11677 CCC(=O)c1ccc(cc1C=C(C)C)C 271570a_100102525489_200012349623 [0,1,0,0,0,1|2,0,0]=4 1910 B15R1.11677 CCC(=O)c1ccc(cc1NC(C)C)C 27a_100138425928_200012349623 [0,1,0,0,0,1|2,0,0]=4 1911 B15R1.11677 CCC(=O)c1ccc(cc1SC(C)C)C 62a_100000210206_200012349623 [0,1,0,0,0,1|2,0,0]=4 1912 B15R1.11677 CCC(=O)c1ccc(cc1SC(C)C)C 62a_200012349623_100000210206 [0,1,0,0,0,1|2,0,0]=4 1913 B15R1.11677 CNC(=O)c1ccc(cc1C=C(C)C)F 271570a_100102525489_200000206206 [0,1,0,0,0,1|2,0,0]=4 1914 B15R1.11677 CNC(=O)c1ccc(cc1NC(C)C)Cl 34a_100000742614_100000210206 [0,1,0,0,0,1|2,0,0]=4 1915 B15R1.11677 CNC(=O)c1ccc(cc1NC(C)C)F 27a_100138425928_200000206206 [0,1,0,0,0,1|2,0,0]=4 1916 B15R1.11677 CNC(=O)c1ccc(cc1OC(C)C)N 34a_100000223174_100000210206 [0,1,0,0,0,1|2,0,0]=4 1917 B15R1.11677 CNC(=O)c1ccc(cc1OC(C)C)N 7a_100000223174_100000210206 [0,1,0,0,0,1|2,0,0]=4 1918 B15R1.11677 CNC(=O)c1ccc(cc1SC(C)C)F 62a_100000210206_200000206206 [0,1,0,0,0,1|2,0,0]=4 1919 B15R1.11677 CNC(=O)c1ccc(cc1SC(C)C)F 62a_200000206206_100000210206 [0,1,0,0,0,1|2,0,0]=4 1920 B15R1.11677 COC(=O)c1ccc(cc1C=C(C)C)Br 271570a_100102525489_100000701758 [0,1,0,0,0,1|1,0,0]=3 1921 B15R1.11677 COC(=O)c1ccc(cc1C=C(C)C)C 271570a_100102525489_100012340597 [0,1,0,0,0,1|1,0,0]=3 1922 B15R1.11677 COC(=O)c1ccc(cc1C=C(C)C)Cl 271570a_100102525489_100000047510 [0,1,0,0,0,1|1,0,0]=3 1923 B15R1.11677 COC(=O)c1ccc(cc1C=C(C)C)F 271570a_100102525489_100000204356 [0,1,0,0,0,1|1,0,0]=3 1924 B15R1.11677 COC(=O)c1ccc(cc1C=C(C)C)N 271570a_100102525489_100009998378 [0,1,0,0,0,1|1,0,0]=3 1925 B15R1.11677 COC(=O)c1ccc(cc1C=C(C)C)O 271570a_100102525489_100010150825 [0,1,0,0,0,1|1,0,0]=3 1926 B15R1.11677 COC(=O)c1ccc(cc1CC(=O)C)Br 1458a_100000070787_100000693193 [0,1,0,0,0,1|2,0,0]=4 1927 B15R1.11677 COC(=O)c1ccc(cc1CC(=O)C)Cl 1458a_100000070787_100010239717 [0,1,0,0,0,1|2,0,0]=4 1928 B15R1.11677 COC(=O)c1ccc(cc1CC(=O)C)F 1458a_100000070787_100000700702 [0,1,0,0,0,1|2,0,0]=4 1929 B15R1.11677 COC(=O)c1ccc(cc1CN(C)C)Br 2230a_100102631434_100000693193 [0,1,0,0,0,1|0,0,0]=2 1930 B15R1.11677 COC(=O)c1ccc(cc1CN(C)C)Br 269982a_100102631434_100000693193 [0,1,0,0,0,1|0,0,0]=2 1931 B15R1.11677 COC(=O)c1ccc(cc1CN(C)C)Br 270004a_100102631434_100000708894 [0,1,0,0,0,1|0,0,0]=2 1932 B15R1.11677 COC(=O)c1ccc(cc1CN(C)C)Cl 2230a_100102631434_100010239717 [0,1,0,0,0,1|0,0,0]=2 1933 B15R1.11677 COC(=O)c1ccc(cc1CN(C)C)Cl 269982a_100102631434_100010239717 [0,1,0,0,0,1|0,0,0]=2 1934 B15R1.11677 COC(=O)c1ccc(cc1CN(C)C)F 2230a_100102631434_100000700702 [0,1,0,0,0,1|0,0,0]=2 1935 B15R1.11677 COC(=O)c1ccc(cc1CN(C)C)F 269982a_100102631434_100000700702 [0,1,0,0,0,1|0,0,0]=2 1936 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)Br 34a_100000699699_100000210206 [0,1,0,0,0,1|1,0,0]=3 1937 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)Br 7a_100000699699_100000210206 [0,1,0,0,0,1|1,0,0]=3 1938 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)C 34a_100000148187_100000210206 [0,1,0,0,0,1|1,0,0]=3 1939 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)C 7a_100000148187_100000210206 [0,1,0,0,0,1|1,0,0]=3 1940 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)Cl 34a_100000151441_100000210206 [0,1,0,0,0,1|1,0,0]=3 1941 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)Cl 7a_100000151441_100000210206 [0,1,0,0,0,1|1,0,0]=3 1942 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)F 34a_100011216117_100000210206 [0,1,0,0,0,1|1,0,0]=3 1943 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)F 7a_100011216117_100000210206 [0,1,0,0,0,1|1,0,0]=3 1944 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)I 7a_100000062286_100000210206 [0,1,0,0,0,1|1,0,0]=3 1945 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)N 34a_100000718744_100000210206 [0,1,0,0,0,1|1,0,0]=3 1946 B15R1.11677 COC(=O)c1ccc(cc1OC(C)C)N 7a_100000718744_100000210206 [0,1,0,0,0,1|1,0,0]=3 1947 B15R1.11677 COC(=O)c1ccc(cc1SC(C)C)Br 62a_100000701758_100000210206 [0,1,0,0,0,1|1,0,0]=3 1948 B15R1.11677 COC(=O)c1ccc(cc1SC(C)C)C 62a_100000210206_100012340597 [0,1,0,0,0,1|1,0,0]=3 1949 B15R1.11677 COC(=O)c1ccc(cc1SC(C)C)C 62a_100012340597_100000210206 [0,1,0,0,0,1|1,0,0]=3 1950 B15R1.11677 COC(=O)c1ccc(cc1SC(C)C)Cl 62a_100000047510_100000210206 [0,1,0,0,0,1|1,0,0]=3 1951 B15R1.11677 COC(=O)c1ccc(cc1SC(C)C)Cl 62a_100000210206_100000047510 [0,1,0,0,0,1|1,0,0]=3 1952 B15R1.11677 COC(=O)c1ccc(cc1SC(C)C)F 62a_100000204356_100000210206 [0,1,0,0,0,1|1,0,0]=3 1953 B15R1.11677 COC(=O)c1ccc(cc1SC(C)C)F 62a_100000210206_100000204356 [0,1,0,0,0,1|1,0,0]=3 1954 B15R1.11677 COC(=O)c1ccc(cc1SC(C)C)N 62a_100000210206_100010150747 [0,1,0,0,0,1|1,0,0]=3 1955 B15R1.11677 COC(=O)c1ccc(cc1SC(C)C)N 62a_100009998378_100000210206 [0,1,0,0,0,1|1,0,0]=3 1956 B15R1.11677 COC(=O)c1ccc(cc1SC(C)C)O 62a_100000210206_100010150825 [0,1,0,0,0,1|1,0,0]=3 1957 B15R1.11677 COC(=O)c1ccc(cc1SC(C)C)O 62a_100010150825_100000210206 [0,1,0,0,0,1|1,0,0]=3 1958 B15R1.11677 COC(=O)c1ccc(nc1C=C(C)C)C 271570a_100102525489_100000054099 [0,1,0,0,0,1|2,0,0]=4 1959 B15R1.11677 COC(=O)c1ccc(nc1C=C(C)C)N 271570a_100102525489_100009865240 [0,1,0,0,0,1|2,0,0]=4 1960 B15R1.11677 COC(=O)c1ccc(nc1C=C(C)C)O 271570a_100102525489_100016008356 [0,1,0,0,0,1|2,0,0]=4 1961 B15R1.11677 COC(=O)c1ccc(nc1SC(C)C)C 62a_100000054099_100000210206 [0,1,0,0,0,1|2,0,0]=4 1962 B15R1.11677 COC(=O)c1ccc(nc1SC(C)C)C 62a_100000210206_100000054099 [0,1,0,0,0,1|2,0,0]=4 1963 B15R1.11677 COC(=O)c1ccc(nc1SC(C)C)N 62a_100000210206_100009865240 [0,1,0,0,0,1|2,0,0]=4 1964 B15R1.11677 COC(=O)c1ccc(nc1SC(C)C)N 62a_100009865240_100000210206 [0,1,0,0,0,1|2,0,0]=4 1965 B15R1.11677 COC(=O)c1cnc(cc1C=C(C)C)C 271570a_100102525489_100011998247 [0,1,0,0,0,1|2,0,0]=4 1966 B15R1.11677 COC(=O)c1cnc(cc1NC(C)C)C 27a_100138425928_100011998247 [0,1,0,0,0,1|2,0,0]=4 1967 B15R1.11677 COC(=O)c1cnc(cc1SC(C)C)C 62a_100000210206_100011998247 [0,1,0,0,0,1|2,0,0]=4 1968 B15R1.11677 COC(=O)c1cnc(cc1SC(C)C)C 62a_100011998247_100000210206 [0,1,0,0,0,1|2,0,0]=4 1969 B15R1.11677 COC(=O)c1cnc(cc1SC(C)C)Cl 62a_100000210206_100010734300 [0,1,0,0,0,1|2,0,0]=4 1970 B15R1.11677 COC(=O)c1cnc(cc1SC(C)C)Cl 62a_100010734300_100000210206 [0,1,0,0,0,1|2,0,0]=4 1971 B15R1.11677 COC(=O)c1ncc(cc1C=C(C)C)C 271570a_100102525489_100010167497 [0,1,0,0,0,1|2,0,0]=4 1972 B15R1.11677 COC(=O)c1ncc(cc1C=C(C)C)F 271570a_100102525489_100010189631 [0,1,0,0,0,1|2,0,0]=4 1973 B15R1.11677 COC(=O)c1ncc(cc1OC(C)C)Br 34a_100010071521_100000210206 [0,1,0,0,0,1|2,0,0]=4 1974 B15R1.11677 COC(=O)c1ncc(cc1OC(C)C)Br 7a_100010071521_100000210206 [0,1,0,0,0,1|2,0,0]=4 1975 B15R1.11677 COC(=O)c1ncc(cc1SC(C)C)C 62a_100000210206_100010167497 [0,1,0,0,0,1|2,0,0]=4 1976 B15R1.11677 COC(=O)c1ncc(cc1SC(C)C)C 62a_100010167497_100000210206 [0,1,0,0,0,1|2,0,0]=4 1977 B15R1.11677 COC(=O)c1ncc(cc1SC(C)C)F 62a_100000210206_100010189631 [0,1,0,0,0,1|2,0,0]=4 1978 B15R1.11677 COC(=O)c1ncc(cc1SC(C)C)F 62a_100010189631_100000210206 [0,1,0,0,0,1|2,0,0]=4 1979 B15R1.11746 CNC(=O)c1c(cccc1C=C(C)C)F 271570a_100102525489_100012642803 [0,1,0,0,0,1|2,0,0]=4 1980 B15R1.11746 CNC(=O)c1c(cccc1NC(C)C)F 27a_100138425928_100012642803 [0,1,0,0,0,1|2,0,0]=4 1981 B15R1.11746 CNC(=O)c1c(cccc1SC(C)C)F 62a_100000210206_100012642803 [0,1,0,0,0,1|2,0,0]=4 1982 B15R1.11746 CNC(=O)c1c(cccc1SC(C)C)F 62a_100012642803_100000210206 [0,1,0,0,0,1|2,0,0]=4 1983 B15R1.11746 COC(=O)c1c(cccc1C=C(C)C)Br 271570a_100102525489_100010247157 [0,1,0,0,0,1|1,0,0]=3 1984 B15R1.11746 COC(=O)c1c(cccc1C=C(C)C)C 271570a_100102525489_100010204206 [0,1,0,0,0,1|1,0,0]=3 1985 B15R1.11746 COC(=O)c1c(cccc1C=C(C)C)Cl 271570a_100102525489_100010150959 [0,1,0,0,0,1|1,0,0]=3 1986 B15R1.11746 COC(=O)c1c(cccc1C=C(C)C)F 271570a_100102525489_100000150693 [0,1,0,0,0,1|1,0,0]=3 1987 B15R1.11746 COC(=O)c1c(cccc1C=C(C)C)N 271570a_100102525489_100010253892 [0,1,0,0,0,1|1,0,0]=3 1988 B15R1.11746 COC(=O)c1c(cccc1CC(=O)C)I 1458a_100000070787_200010272806 [0,1,0,0,0,1|2,0,0]=4 1989 B15R1.11746 COC(=O)c1c(cccc1CN(C)C)I 2230a_100102631434_200010272806 [0,1,0,0,0,1|0,0,0]=2 1990 B15R1.11746 COC(=O)c1c(cccc1CN(C)C)I 269982a_100102631434_200010272806 [0,1,0,0,0,1|0,0,0]=2 1991 B15R1.11746 COC(=O)c1c(cccc1OC(C)C)C 34a_100000084604_100000210206 [0,1,0,0,0,1|1,0,0]=3 1992 B15R1.11746 COC(=O)c1c(cccc1OC(C)C)C 7a_100000084604_100000210206 [0,1,0,0,0,1|1,0,0]=3 1993 B15R1.11746 COC(=O)c1c(cccc1OC(C)C)Cl 34a_200000055445_100000210206 [0,1,0,0,0,1|1,0,0]=3 1994 B15R1.11746 COC(=O)c1c(cccc1OC(C)C)Cl 7a_200000055445_100000210206 [0,1,0,0,0,1|1,0,0]=3 1995 B15R1.11746 COC(=O)c1c(cccc1OC(C)C)F 34a_100011216559_100000210206 [0,1,0,0,0,1|1,0,0]=3 1996 B15R1.11746 COC(=O)c1c(cccc1OC(C)C)F 7a_100011216559_100000210206 [0,1,0,0,0,1|1,0,0]=3 1997 B15R1.11746 COC(=O)c1c(cccc1SC(C)C)Br 62a_100000210206_100010247157 [0,1,0,0,0,1|1,0,0]=3 1998 B15R1.11746 COC(=O)c1c(cccc1SC(C)C)Br 62a_100010247157_100000210206 [0,1,0,0,0,1|1,0,0]=3 1999 B15R1.11746 COC(=O)c1c(cccc1SC(C)C)C 62a_100000210206_100010204206 [0,1,0,0,0,1|1,0,0]=3 2000 B15R1.11746 COC(=O)c1c(cccc1SC(C)C)C 62a_100010204206_100000210206 [0,1,0,0,0,1|1,0,0]=3 2001 B15R1.11746 COC(=O)c1c(cccc1SC(C)C)Cl 62a_100000210206_100010150959 [0,1,0,0,0,1|1,0,0]=3 2002 B15R1.11746 COC(=O)c1c(cccc1SC(C)C)Cl 62a_100010150959_100000210206 [0,1,0,0,0,1|1,0,0]=3 2003 B15R1.11746 COC(=O)c1c(cccc1SC(C)C)F 62a_100000150693_100000210206 [0,1,0,0,0,1|1,0,0]=3 2004 B15R1.11746 COC(=O)c1c(cccc1SC(C)C)F 62a_100000210206_100000150693 [0,1,0,0,0,1|1,0,0]=3 2005 B15R1.11746 COC(=O)c1c(cccc1SC(C)C)N 62a_100010253892_100000210206 [0,1,0,0,0,1|1,0,0]=3 2006 B15R1.11746 COC(=O)c1c(ccnc1C=C(C)C)F 271570a_100102525489_100015560809 [0,1,0,0,0,1|2,0,0]=4 2007 B15R1.11746 COC(=O)c1c(ccnc1C=C(C)C)N 271570a_100102525489_100009985557 [0,1,0,0,0,1|2,0,0]=4 2008 B15R1.11746 COC(=O)c1c(ccnc1Cl)C=C(C)C 271570a_100102525489_100010138530 [0,1,0,0,0,1|2,0,0]=4 2009 B15R1.11746 COC(=O)c1c(ccnc1Cl)SC(C)C 62a_100000210206_100010138530 [0,1,0,0,0,1|2,0,0]=4 2010 B15R1.11746 COC(=O)c1c(ccnc1F)C=C(C)C 271570a_100102525489_100010150474 [0,1,0,0,0,1|2,0,0]=4 2011 B15R1.11746 COC(=O)c1c(ccnc1F)SC(C)C 62a_100000210206_100010150474 [0,1,0,0,0,1|2,0,0]=4 2012 B15R1.11746 COC(=O)c1c(ccnc1F)SC(C)C 62a_100010150474_100000210206 [0,1,0,0,0,1|2,0,0]=4 2013 B15R1.11746 COC(=O)c1c(ccnc1SC(C)C)F 62a_100000210206_100015560809 [0,1,0,0,0,1|2,0,0]=4 2014 B15R1.11746 COC(=O)c1c(ccnc1SC(C)C)F 62a_100015560809_100000210206 [0,1,0,0,0,1|2,0,0]=4 2015 B15R1.11746 COC(=O)c1c(ccnc1SC(C)C)N 62a_100000210206_100009985557 [0,1,0,0,0,1|2,0,0]=4 2016 B15R1.11746 COC(=O)c1c(cncc1C=C(C)C)F 271570a_100102525489_100010189632 [0,1,0,0,0,1|2,0,0]=4 2017 B15R1.11746 COC(=O)c1c(cncc1SC(C)C)F 62a_100000210206_100010189632 [0,1,0,0,0,1|2,0,0]=4 2018 B15R1.11746 COC(=O)c1c(cncc1SC(C)C)F 62a_100010189632_100000210206 [0,1,0,0,0,1|2,0,0]=4 2019 B15R1.38499 CNC(=O)c1cccc(c1NC(C)C)C 34a_100000223168_100000210206 [0,1,0,0,0,1|2,0,0]=4 2020 B15R1.38499 CNC(=O)c1cccc(c1NC(C)C)Cl 34a_200012181065_100000210206 [0,1,0,0,0,1|2,0,0]=4 2021 B15R1.38499 COC(=O)c1cccc(c1C=C(C)C)Br 271570a_100102525489_100010150843 [0,1,0,0,0,1|1,0,0]=3 2022 B15R1.38499 COC(=O)c1cccc(c1C=C(C)C)C 271570a_100102525489_100012002529 [0,1,0,0,0,1|1,0,0]=3 2023 B15R1.38499 COC(=O)c1cccc(c1C=C(C)C)F 271570a_100102525489_100012357630 [0,1,0,0,0,1|1,0,0]=3 2024 B15R1.38499 COC(=O)c1cccc(c1C=C(C)C)N 271570a_100102525489_100000719424 [0,1,0,0,0,1|1,0,0]=3 2025 B15R1.38499 COC(=O)c1cccc(c1C=C(C)C)O 271570a_100102525489_200010230364 [0,1,0,0,0,1|1,0,0]=3 2026 B15R1.38499 COC(=O)c1cccc(c1CC(=O)C)Br 1458a_100000070787_100012352084 [0,1,0,0,0,1|2,0,0]=4 2027 B15R1.38499 COC(=O)c1cccc(c1CC(=O)C)Cl 1458a_100000070787_100000725332 [0,1,0,0,0,1|2,0,0]=4 2028 B15R1.38499 COC(=O)c1cccc(c1CC(=O)C)F 1458a_100000070787_100010239718 [0,1,0,0,0,1|2,0,0]=4 2029 B15R1.38499 COC(=O)c1cccc(c1CC(=O)C)I 1458a_100000070787_100011003723 [0,1,0,0,0,1|2,0,0]=4 2030 B15R1.38499 COC(=O)c1cccc(c1CN(C)C)Br 2230a_100102631434_100012352084 [0,1,0,0,0,1|0,0,0]=2 2031 B15R1.38499 COC(=O)c1cccc(c1CN(C)C)Br 269982a_100102631434_100012352084 [0,1,0,0,0,1|0,0,0]=2 2032 B15R1.38499 COC(=O)c1cccc(c1CN(C)C)Cl 2230a_100102631434_100000725332 [0,1,0,0,0,1|0,0,0]=2 2033 B15R1.38499 COC(=O)c1cccc(c1CN(C)C)Cl 269982a_100102631434_100000725332 [0,1,0,0,0,1|0,0,0]=2 2034 B15R1.38499 COC(=O)c1cccc(c1CN(C)C)F 2230a_100102631434_100010239718 [0,1,0,0,0,1|0,0,0]=2 2035 B15R1.38499 COC(=O)c1cccc(c1CN(C)C)F 269982a_100102631434_100010239718 [0,1,0,0,0,1|0,0,0]=2 2036 B15R1.38499 COC(=O)c1cccc(c1CN(C)C)I 2230a_100102631434_100011003723 [0,1,0,0,0,1|0,0,0]=2 2037 B15R1.38499 COC(=O)c1cccc(c1CN(C)C)I 269982a_100102631434_100011003723 [0,1,0,0,0,1|0,0,0]=2 2038 B15R1.38499 COC(=O)c1cccc(c1NC(=O)C)C 188690a_100000741038_100015343762 [0,1,0,0,0,1|2,0,0]=4 2039 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)Br 34a_100009816214_100000210206 [0,1,0,0,0,1|1,0,0]=3 2040 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)C 34a_100000149854_100000210206 [0,1,0,0,0,1|1,0,0]=3 2041 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)C 7a_100000149854_100000210206 [0,1,0,0,0,1|1,0,0]=3 2042 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)Cl 34a_100000074923_100000210206 [0,1,0,0,0,1|1,0,0]=3 2043 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)Cl 7a_100000074923_100000210206 [0,1,0,0,0,1|1,0,0]=3 2044 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)F 34a_100000082593_100000210206 [0,1,0,0,0,1|1,0,0]=3 2045 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)F 7a_100000082593_100000210206 [0,1,0,0,0,1|1,0,0]=3 2046 B15R1.38499 COC(=O)c1cccc(c1OC(C)C)N 34a_100000750886_100000210206 [0,1,0,0,0,1|1,0,0]=3 2047 B15R1.38499 COC(=O)c1cccc(c1SC(C)C)Br 62a_100000210206_100010150843 [0,1,0,0,0,1|1,0,0]=3 2048 B15R1.38499 COC(=O)c1cccc(c1SC(C)C)Br 62a_100010150843_100000210206 [0,1,0,0,0,1|1,0,0]=3 2049 B15R1.38499 COC(=O)c1cccc(c1SC(C)C)C 62a_100000210206_100012002529 [0,1,0,0,0,1|1,0,0]=3 2050 B15R1.38499 COC(=O)c1cccc(c1SC(C)C)C 62a_100012002529_100000210206 [0,1,0,0,0,1|1,0,0]=3 2051 B15R1.38499 COC(=O)c1cccc(c1SC(C)C)F 62a_100000210206_100012357630 [0,1,0,0,0,1|1,0,0]=3 2052 B15R1.38499 COC(=O)c1cccc(c1SC(C)C)F 62a_100012357630_100000210206 [0,1,0,0,0,1|1,0,0]=3 2053 B15R1.38499 COC(=O)c1cccc(c1SC(C)C)N 62a_100000719424_100000210206 [0,1,0,0,0,1|1,0,0]=3 2054 B15R1.38499 COC(=O)c1cccc(c1SC(C)C)O 62a_100000210206_200010230364 [0,1,0,0,0,1|1,0,0]=3 2055 B15R1.38499 COC(=O)c1cccc(c1SC(C)C)O 62a_200010230364_100000210206 [0,1,0,0,0,1|1,0,0]=3 2056 B15R1.1274 C#CCC(=O)Nc1ccccc1N(C)C 1626a_100000737595_100011220946 [0,1,0,0,0,1|1,0,1]=4 2057 B15R1.1274 C#CCC(=O)Nc1ccccc1N(C)C 527a_100000737595_100011220946 [0,1,0,0,0,1|1,0,1]=4 2058 B15R1.1274 C=C(C)c1ccccc1CC(=O)OCC 271570a_100000694244_100011218996 [0,1,0,0,0,1|1,0,1]=4 2059 B15R1.1274 C=C(C)c1ccccc1NC(=O)COC 11a_100000037685_100000210968 [0,1,0,0,0,1|1,0,1]=4 2060 B15R1.1274 C=C(C)c1ccccc1NC(=O)COC 1626a_100000037685_100000210968 [0,1,0,0,0,1|1,0,1]=4 2061 B15R1.1274 C=C(C)c1ccccc1NC(=O)COC 22a_100000037685_100000210968 [0,1,0,0,0,1|1,0,1]=4 2062 B15R1.1274 C=C(C)c1ccccc1NC(=O)COC 271570a_100000694244_200000158336 [0,1,0,0,0,1|1,0,1]=4 2063 B15R1.1274 C=CCC(=O)Nc1ccccc1N(C)C 11a_100000737595_100000210193 [0,1,0,0,0,1|1,0,1]=4 2064 B15R1.1274 C=CCC(=O)Nc1ccccc1N(C)C 1626a_100000737595_100000210193 [0,1,0,0,0,1|1,0,1]=4 2065 B15R1.1274 C=CCC(=O)Nc1ccccc1N(C)C 22a_100000737595_100000210193 [0,1,0,0,0,1|1,0,1]=4 2066 B15R1.1274 C=CCC(=O)Nc1ccccc1N(C)C 527a_100000737595_100000210193 [0,1,0,0,0,1|1,0,1]=4 2067 B15R1.1274 CC#CC(=O)Nc1ccccc1C(C)C 22a_100000210643_100000763181 [0,1,0,0,0,1|2,0,0]=4 2068 B15R1.1274 CC#CC(=O)Nc1ccccc1N(C)C 22a_100000737595_100000763181 [0,1,0,0,0,1|1,0,0]=3 2069 B15R1.1274 CC(C)c1ccccc1NC(=O)CCO 22a_100000210643_100011216618 [0,1,0,0,0,1|2,0,0]=4 2070 B15R1.1274 CC=CC(=O)Nc1ccccc1C(C)C 11a_100000210643_100000210699 [0,1,0,0,0,1|2,0,0]=4 2071 B15R1.1274 CC=CC(=O)Nc1ccccc1C(C)C 1626a_100000210643_100000210699 [0,1,0,0,0,1|2,0,0]=4 2072 B15R1.1274 CC=CC(=O)Nc1ccccc1C(C)C 22a_100000210643_100000210699 [0,1,0,0,0,1|2,0,0]=4 2073 B15R1.1274 CC=CC(=O)Nc1ccccc1N(C)C 11a_100000737595_100000210699 [0,1,0,0,0,1|1,0,0]=3 2074 B15R1.1274 CC=CC(=O)Nc1ccccc1N(C)C 1626a_100000737595_100000210699 [0,1,0,0,0,1|1,0,0]=3 2075 B15R1.1274 CC=CC(=O)Nc1ccccc1N(C)C 22a_100000737595_100000210699 [0,1,0,0,0,1|1,0,0]=3 2076 B15R1.1274 CCCC(=O)Nc1ccccc1C(C)C 11a_100000210643_100000211992 [0,1,0,0,0,1|2,0,0]=4 2077 B15R1.1274 CCCC(=O)Nc1ccccc1C(C)C 1626a_100000210643_100000211992 [0,1,0,0,0,1|2,0,0]=4 2078 B15R1.1274 CCCC(=O)Nc1ccccc1C(C)C 22a_100000210643_100000211992 [0,1,0,0,0,1|2,0,0]=4 2079 B15R1.1274 CCCC(=O)Nc1ccccc1C(C)C 527a_100000210643_100000211992 [0,1,0,0,0,1|2,0,0]=4 2080 B15R1.1274 CCCC(=O)Nc1ccccc1N(C)C 11a_100000737595_100000211992 [0,1,0,0,0,1|1,0,0]=3 2081 B15R1.1274 CCCC(=O)Nc1ccccc1N(C)C 1626a_100000737595_100000211992 [0,1,0,0,0,1|1,0,0]=3 2082 B15R1.1274 CCCC(=O)Nc1ccccc1N(C)C 22a_100000737595_100000211992 [0,1,0,0,0,1|1,0,0]=3 2083 B15R1.1274 CCCC(=O)Nc1ccccc1N(C)C 527a_100000737595_100000211992 [0,1,0,0,0,1|1,0,0]=3 2084 B15R1.1274 CCNC(=O)Nc1ccccc1C(C)C 2430a_100000210643_100015525214 [0,1,0,0,0,1|2,0,0]=4 2085 B15R1.1274 CCNC(=O)Nc1ccccc1N(C)C 2430a_100000737595_100015525214 [0,1,0,0,0,1|1,0,0]=3 2086 B15R1.1274 CN(C)c1ccccc1NC(=O)C=CBr 1626a_100000737595_100016273825 [0,1,0,0,0,1|1,0,1]=4 2087 B15R1.1274 CN(C)c1ccccc1NC(=O)C=CCl 11a_100000737595_200016279998 [0,1,0,0,0,1|1,0,1]=4 2088 B15R1.1274 CN(C)c1ccccc1NC(=O)C=CCl 1626a_100000737595_200016279998 [0,1,0,0,0,1|1,0,1]=4 2089 B15R1.1274 CN(C)c1ccccc1NC(=O)C=CI 1626a_100000737595_100016256311 [0,1,0,0,0,1|1,0,1]=4 2090 B15R1.1274 CN(C)c1ccccc1NC(=O)CC#N 1626a_100000737595_100051588842 [0,1,0,0,0,1|1,0,1]=4 2091 B15R1.1274 CN(C)c1ccccc1NC(=O)CC#N 22a_100000737595_100051588842 [0,1,0,0,0,1|1,0,1]=4 2092 B15R1.1274 CN(C)c1ccccc1NC(=O)CCO 22a_100000737595_100011216618 [0,1,0,0,0,1|1,0,0]=3 2093 B15R1.1274 COCC(=O)Cc1ncccc1C(C)C 1458a_100000210968_200134614246 [0,1,0,0,0,1|2,0,0]=4 2094 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)C 1458a_100000194449_200000210301 [0,1,0,0,0,1|2,0,0]=4 2095 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100000194449_200025704644 [0,1,0,0,0,1|2,0,0]=4 2096 B15R1.1274 COCC(=O)Nc1ccccc1C(C)C 11a_100000210643_100000210968 [0,1,0,0,0,1|1,0,0]=3 2097 B15R1.1274 COCC(=O)Nc1ccccc1C(C)C 1626a_100000210643_100000210968 [0,1,0,0,0,1|1,0,0]=3 2098 B15R1.1274 COCC(=O)Nc1ccccc1C(C)C 22a_100000210643_100000210968 [0,1,0,0,0,1|1,0,0]=3 2099 B15R1.1274 COCC(=O)Nc1ccccc1C(C)C 527a_100000210643_100000210968 [0,1,0,0,0,1|1,0,0]=3 2100 B15R1.1274 COCC(=O)Nc1ccccc1N(C)C 11a_100000737595_100000210968 [0,1,0,0,0,1|0,0,0]=2 2101 B15R1.1274 COCC(=O)Nc1ccccc1N(C)C 1626a_100000737595_100000210968 [0,1,0,0,0,1|0,0,0]=2 2102 B15R1.1274 COCC(=O)Nc1ccccc1N(C)C 22a_100000737595_100000210968 [0,1,0,0,0,1|0,0,0]=2 2103 B15R1.1274 COCC(=O)Nc1ccccc1N(C)C 527a_100000737595_100000210968 [0,1,0,0,0,1|0,0,0]=2 2104 B15R1.1274 COCC(C)Sc1ccccc1N(C)C 62a_100000765312_100011290883 [0,1,0,0,0,1|1,0,1]=4 2105 B15R1.1274 COCC(C)Sc1ccccc1N(C)C 62a_100011290883_100000765312 [0,1,0,0,0,1|1,0,1]=4 2106 B15R1.1274 CSCC(=O)Nc1ccccc1C(C)C 11a_100000210643_100000184570 [0,1,0,0,0,1|1,1,0]=4 2107 B15R1.1274 CSCC(=O)Nc1ccccc1C(C)C 1626a_100000210643_100000184570 [0,1,0,0,0,1|1,1,0]=4 2108 B15R1.1274 CSCC(=O)Nc1ccccc1C(C)C 22a_100000210643_100000184570 [0,1,0,0,0,1|1,1,0]=4 2109 B15R1.1274 CSCC(=O)Nc1ccccc1C(C)C 527a_100000210643_100000184570 [0,1,0,0,0,1|1,1,0]=4 2110 B15R1.1274 CSCC(=O)Nc1ccccc1N(C)C 11a_100000737595_100000184570 [0,1,0,0,0,1|0,1,0]=3 2111 B15R1.1274 CSCC(=O)Nc1ccccc1N(C)C 1626a_100000737595_100000184570 [0,1,0,0,0,1|0,1,0]=3 2112 B15R1.1274 CSCC(=O)Nc1ccccc1N(C)C 22a_100000737595_100000184570 [0,1,0,0,0,1|0,1,0]=3 2113 B15R1.1274 CSCC(=O)Nc1ccccc1N(C)C 527a_100000737595_100000184570 [0,1,0,0,0,1|0,1,0]=3 2114 B15R1.1343 C=C(C)c1ccccc1C(=O)C(=O)OC 271570a_100000694244_200010133017 [0,1,0,0,0,1|1,0,1]=4 2115 B15R1.1343 C=C(C)c1ccccc1C(O)C(=O)OC 271570a_100000694244_200011625927 [0,1,0,0,0,1|1,0,1]=4 2116 B15R1.1343 CCC(=O)N(C)c1ccccc1C(C)C 11a_106256037369_100000210414 [0,1,0,0,0,1|2,0,0]=4 2117 B15R1.1343 CCC(=O)N(C)c1ccccc1C(C)C 1626a_106256037369_100000210414 [0,1,0,0,0,1|2,0,0]=4 2118 B15R1.1343 CCC(=O)N(C)c1ccccc1C(C)C 22a_106256037369_100000210414 [0,1,0,0,0,1|2,0,0]=4 2119 B15R1.1343 CNC(=O)N(C)c1ccccc1C(C)C 512a_106256037369_100102657272 [0,1,0,0,0,1|2,0,0]=4 2120 B15R1.1343 CNC(=O)N(C)c1ccccc1C(C)C 512a_106832991638_106256037369 [0,1,0,0,0,1|2,0,0]=4 2121 B15R1.1343 COC(=O)N(C)c1ccccc1C(=O)C 1458a_100000744063_200000210301 [0,1,0,0,0,1|2,0,0]=4 2122 B15R1.1343 COC(=O)N(C)c1ccccc1C(=O)[13CH3] 1458a_100000744063_200025704644 [0,1,0,0,0,1|2,0,0]=4 2123 B15R1.2996 C=C(C)c1cc(ccc1CC(=O)OC)F 271570a_100000694244_200012569216 [0,1,0,0,0,1|1,0,1]=4 2124 B15R1.2996 C=C(C)c1cc(ccc1NC(=O)OC)C 271570a_100000694244_100000750523 [0,1,0,0,0,1|1,0,1]=4 2125 B15R1.2996 CCC(=O)Nc1ccc(cc1C(C)C)Br 11a_100000694223_100000210414 [0,1,0,0,0,1|2,0,0]=4 2126 B15R1.2996 CCC(=O)Nc1ccc(cc1C(C)C)Br 1626a_100000694223_100000210414 [0,1,0,0,0,1|2,0,0]=4 2127 B15R1.2996 CCC(=O)Nc1ccc(cc1C(C)C)Br 22a_100000694223_100000210414 [0,1,0,0,0,1|2,0,0]=4 2128 B15R1.2996 CCC(=O)Nc1ccc(cc1C(C)C)Br 527a_100000694223_100000210414 [0,1,0,0,0,1|2,0,0]=4 2129 B15R1.2996 CCC(=O)Nc1ccc(cc1C(C)C)F 11a_100011941472_100000210414 [0,1,0,0,0,1|2,0,0]=4 2130 B15R1.2996 CCC(=O)Nc1ccc(cc1C(C)C)F 1626a_100011941472_100000210414 [0,1,0,0,0,1|2,0,0]=4 2131 B15R1.2996 CCC(=O)Nc1ccc(cc1C(C)C)F 22a_100011941472_100000210414 [0,1,0,0,0,1|2,0,0]=4 2132 B15R1.2996 CNC(=O)Nc1ccc(cc1C(C)C)Br 2430a_100000694223_100102657272 [0,1,0,0,0,1|2,0,0]=4 2133 B15R1.2996 CNC(=O)Nc1ccc(cc1C(C)C)Br 512a_100000694223_100102657272 [0,1,0,0,0,1|2,0,0]=4 2134 B15R1.2996 CNC(=O)Nc1ccc(cc1C(C)C)F 2430a_100011941472_100102657272 [0,1,0,0,0,1|2,0,0]=4 2135 B15R1.2996 COC(C)Sc1ccc(cc1N(C)C)O 62a_100009879195_200010083878 [0,1,0,0,0,1|1,0,1]=4 2136 B15R1.3825 C=CC(=O)Nc1cc(ccc1N(C)C)Br 1626a_100000737018_100000185746 [0,1,0,0,0,1|1,0,1]=4 2137 B15R1.3825 C=CC(=O)Nc1cc(ccc1N(C)C)Br 22a_100000737018_100000185746 [0,1,0,0,0,1|1,0,1]=4 2138 B15R1.3825 C=CC(=O)Nc1cc(ccc1N(C)C)C 1626a_100015186467_100000185746 [0,1,0,0,0,1|1,0,1]=4 2139 B15R1.3825 C=CC(=O)Nc1cc(ccc1N(C)C)C 22a_100015186467_100000185746 [0,1,0,0,0,1|1,0,1]=4 2140 B15R1.3825 C=CC(=O)Nc1cc(ccc1N(C)C)Cl 1626a_100000736992_100000185746 [0,1,0,0,0,1|1,0,1]=4 2141 B15R1.3825 C=CC(=O)Nc1cc(ccc1N(C)C)Cl 22a_100000736992_100000185746 [0,1,0,0,0,1|1,0,1]=4 2142 B15R1.3825 CCC(=O)Nc1cc(ccc1C(C)C)F 11a_100012283353_100000210414 [0,1,0,0,0,1|2,0,0]=4 2143 B15R1.3825 CCC(=O)Nc1cc(ccc1C(C)C)F 1626a_100012283353_100000210414 [0,1,0,0,0,1|2,0,0]=4 2144 B15R1.3825 CCC(=O)Nc1cc(ccc1C(C)C)F 22a_100012283353_100000210414 [0,1,0,0,0,1|2,0,0]=4 2145 B15R1.3825 CCC(=O)Nc1cc(ccc1N(C)C)Br 11a_100000737018_100000210414 [0,1,0,0,0,1|1,0,0]=3 2146 B15R1.3825 CCC(=O)Nc1cc(ccc1N(C)C)Br 1626a_100000737018_100000210414 [0,1,0,0,0,1|1,0,0]=3 2147 B15R1.3825 CCC(=O)Nc1cc(ccc1N(C)C)Br 22a_100000737018_100000210414 [0,1,0,0,0,1|1,0,0]=3 2148 B15R1.3825 CCC(=O)Nc1cc(ccc1N(C)C)C 11a_100015186467_100000210414 [0,1,0,0,0,1|1,0,0]=3 2149 B15R1.3825 CCC(=O)Nc1cc(ccc1N(C)C)C 1626a_100015186467_100000210414 [0,1,0,0,0,1|1,0,0]=3 2150 B15R1.3825 CCC(=O)Nc1cc(ccc1N(C)C)C 22a_100015186467_100000210414 [0,1,0,0,0,1|1,0,0]=3 2151 B15R1.3825 CCC(=O)Nc1cc(ccc1N(C)C)Cl 11a_100000736992_100000210414 [0,1,0,0,0,1|1,0,0]=3 2152 B15R1.3825 CCC(=O)Nc1cc(ccc1N(C)C)Cl 1626a_100000736992_100000210414 [0,1,0,0,0,1|1,0,0]=3 2153 B15R1.3825 CCC(=O)Nc1cc(ccc1N(C)C)Cl 22a_100000736992_100000210414 [0,1,0,0,0,1|1,0,0]=3 2154 B15R1.3825 CN(C)c1ccc(cc1NC(=O)CO)Br 22a_100000737018_100000210174 [0,1,0,0,0,1|2,0,0]=4 2155 B15R1.3825 CN(C)c1ccc(cc1NC(=O)CO)Cl 22a_100000736992_100000210174 [0,1,0,0,0,1|2,0,0]=4 2156 B15R1.3825 CNC(=O)Nc1cc(ccc1C(C)C)F 2430a_100012283353_100102657272 [0,1,0,0,0,1|2,0,0]=4 2157 B15R1.3825 CNC(=O)Nc1cc(ccc1C(C)C)F 512a_100012283353_100102657272 [0,1,0,0,0,1|2,0,0]=4 2158 B15R1.3825 CNC(=O)Nc1cc(ccc1N(C)C)Br 2430a_100000737018_100102657272 [0,1,0,0,0,1|1,0,0]=3 2159 B15R1.3825 CNC(=O)Nc1cc(ccc1N(C)C)Br 512a_100000737018_100102657272 [0,1,0,0,0,1|1,0,0]=3 2160 B15R1.3825 CNC(=O)Nc1cc(ccc1N(C)C)C 2430a_100015186467_100102657272 [0,1,0,0,0,1|1,0,0]=3 2161 B15R1.3825 CNC(=O)Nc1cc(ccc1N(C)C)Cl 2430a_100000736992_100102657272 [0,1,0,0,0,1|1,0,0]=3 2162 B15R1.3825 COC(C)Sc1cc(ccc1N(C)C)C 62a_100009879195_100012353700 [0,1,0,0,0,1|1,0,1]=4 2163 B15R1.3825 COC(C)Sc1cc(ccc1N(C)C)C 62a_100012353700_100009879195 [0,1,0,0,0,1|1,0,1]=4 2164 B15R1.3825 COC(C)Sc1cc(ccc1N(C)C)F 62a_100009879195_100012349029 [0,1,0,0,0,1|1,0,1]=4 2165 B15R1.3825 COC(C)Sc1cc(ccc1N(C)C)F 62a_100012349029_100009879195 [0,1,0,0,0,1|1,0,1]=4 2166 B15R1.3825 COC(C)Sc1cc(ccc1N(C)C)N 62a_100009879195_100011534197 [0,1,0,0,0,1|1,0,1]=4 2167 B15R1.3825 COC(C)Sc1cc(ccc1N(C)C)N 62a_100011534197_100009879195 [0,1,0,0,0,1|1,0,1]=4 2168 B15R1.3825 Cc1ccc(c(c1)NC(=O)CO)N(C)C 22a_100015186467_100000210174 [0,1,0,0,0,1|2,0,0]=4 2169 B15R1.3846 CCC(=O)Nc1ccccc1C(C)(C)C 11a_100000211005_100000210414 [0,1,0,0,0,1|2,0,0]=4 2170 B15R1.3846 CCC(=O)Nc1ccccc1C(C)(C)C 1626a_100000211005_100000210414 [0,1,0,0,0,1|2,0,0]=4 2171 B15R1.3846 CCC(=O)Nc1ccccc1C(C)(C)C 22a_100000211005_100000210414 [0,1,0,0,0,1|2,0,0]=4 2172 B15R1.3846 CCC(=O)Nc1ccccc1C(C)(C)O 1626a_100000081495_100000210414 [0,1,0,0,0,1|2,0,0]=4 2173 B15R1.3846 CCC(=O)Nc1ccccc1C(C)(C)O 22a_100000081495_100000210414 [0,1,0,0,0,1|2,0,0]=4 2174 B15R1.3846 CCC(=O)Nc1ccccc1C(C)(C)O 527a_100000081495_100000210414 [0,1,0,0,0,1|2,0,0]=4 2175 B15R1.3846 CCC(=O)Nc1ccccc1P(=O)(C)C 11a_100010749338_100000210414 [0,1,0,0,0,1|1,1,0]=4 2176 B15R1.3846 CCC(=O)Nc1ccccc1P(=O)(C)C 1626a_100010749338_100000210414 [0,1,0,0,0,1|1,1,0]=4 2177 B15R1.3846 CCC(=O)Nc1ccccc1P(=O)(C)C 22a_100010749338_100000210414 [0,1,0,0,0,1|1,1,0]=4 2178 B15R1.3846 CNC(=O)Nc1ccccc1C(C)(C)C 2430a_100000211005_100102657272 [0,1,0,0,0,1|2,0,0]=4 2179 B15R1.3846 CNC(=O)Nc1ccccc1C(C)(C)O 2430a_100000081495_100102657272 [0,1,0,0,0,1|2,0,0]=4 2180 B15R1.3846 CNC(=O)Nc1ccccc1C(C)(C)O 512a_100000081495_100102657272 [0,1,0,0,0,1|2,0,0]=4 2181 B15R1.3846 CNC(=O)Nc1ccccc1P(=O)(C)C 2430a_100010749338_100102657272 [0,1,0,0,0,1|1,1,0]=4 2182 B15R1.7707 CCS(=O)(=O)Nc1ccccc1N(C)C 232682a_100000737595_100000211323 [0,1,0,0,0,1|2,0,0]=4 2183 B15R1.7707 CCS(=O)(=O)Nc1ccccc1N(C)C 40a_100000737595_100000053943 [0,1,0,0,0,1|2,0,0]=4 2184 B15R1.8875 C=C(Br)C(=O)Nc1ccccc1N(C)C 11a_100000737595_100009813364 [0,1,0,0,0,1|1,0,1]=4 2185 B15R1.8875 C=C(Br)C(=O)Nc1ccccc1N(C)C 1626a_100000737595_100009813364 [0,1,0,0,0,1|1,0,1]=4 2186 B15R1.8875 C=C(C)C(=O)Nc1ccccc1C(C)C 11a_100000210643_100000185857 [0,1,0,0,0,1|2,0,0]=4 2187 B15R1.8875 C=C(C)C(=O)Nc1ccccc1C(C)C 1626a_100000210643_100000185857 [0,1,0,0,0,1|2,0,0]=4 2188 B15R1.8875 C=C(C)C(=O)Nc1ccccc1C(C)C 22a_100000210643_100000185857 [0,1,0,0,0,1|2,0,0]=4 2189 B15R1.8875 C=C(C)C(=O)Nc1ccccc1N(C)C 11a_100000737595_100000185857 [0,1,0,0,0,1|1,0,0]=3 2190 B15R1.8875 C=C(C)C(=O)Nc1ccccc1N(C)C 1626a_100000737595_100000185857 [0,1,0,0,0,1|1,0,0]=3 2191 B15R1.8875 C=C(C)C(=O)Nc1ccccc1N(C)C 22a_100000737595_100000185857 [0,1,0,0,0,1|1,0,0]=3 2192 B15R1.8875 C=C(Cl)C(=O)Nc1ccccc1N(C)C 11a_100000737595_100000039160 [0,1,0,0,0,1|1,0,1]=4 2193 B15R1.8875 C=C(Cl)C(=O)Nc1ccccc1N(C)C 1626a_100000737595_100000039160 [0,1,0,0,0,1|1,0,1]=4 2194 B15R1.8875 C=C(Cl)C(=O)Nc1ccccc1N(C)C 22a_100000737595_100000039160 [0,1,0,0,0,1|1,0,1]=4 2195 B15R1.8875 C=C(F)C(=O)Nc1ccccc1N(C)C 11a_100000737595_100000036797 [0,1,0,0,0,1|1,0,1]=4 2196 B15R1.8875 C=C(F)C(=O)Nc1ccccc1N(C)C 1626a_100000737595_100000036797 [0,1,0,0,0,1|1,0,1]=4 2197 B15R1.8875 C=C(F)C(=O)Nc1ccccc1N(C)C 22a_100000737595_100000036797 [0,1,0,0,0,1|1,0,1]=4 2198 B15R1.8875 CC(C)C(=O)Nc1ccccc1C(C)C 11a_100000210643_100000210198 [0,1,0,0,0,1|2,0,0]=4 2199 B15R1.8875 CC(C)C(=O)Nc1ccccc1C(C)C 1626a_100000210643_100000210198 [0,1,0,0,0,1|2,0,0]=4 2200 B15R1.8875 CC(C)C(=O)Nc1ccccc1C(C)C 22a_100000210643_100000210198 [0,1,0,0,0,1|2,0,0]=4 2201 B15R1.8875 CC(C)C(=O)Nc1ccccc1C(C)C 527a_100000210643_100000210198 [0,1,0,0,0,1|2,0,0]=4 2202 B15R1.8875 CC(C)C(=O)Nc1ccccc1N(C)C 11a_100000737595_100000210198 [0,1,0,0,0,1|1,0,0]=3 2203 B15R1.8875 CC(C)C(=O)Nc1ccccc1N(C)C 1626a_100000737595_100000210198 [0,1,0,0,0,1|1,0,0]=3 2204 B15R1.8875 CC(C)C(=O)Nc1ccccc1N(C)C 22a_100000737595_100000210198 [0,1,0,0,0,1|1,0,0]=3 2205 B15R1.8875 CC(C)C(=O)Nc1ccccc1N(C)C 527a_100000737595_100000210198 [0,1,0,0,0,1|1,0,0]=3 2206 B15R1.8875 CC(C)C(=O)Nc1cccnc1N(C)C 27a_100102631434_100011195389 [0,1,0,0,0,1|2,0,0]=4 2207 B15R1.8875 CC(C)c1ccccc1NC(=O)N(C)C 2430a_100000210643_100102631434 [0,1,0,0,0,1|2,0,0]=4 2208 B15R1.8875 CC(C)c1ccccc1NC(=O)[C@@H](C)O 22a_100000210643_100000717761 [0,1,0,0,0,1|2,0,0]=4 2209 B15R1.8875 CC(C)c1ccccc1NC(=O)[C@H](C)O 1626a_100000210643_217856618621 [0,1,0,0,0,1|2,0,0]=4 2210 B15R1.8875 CC(C)c1ccccc1NC(=O)[C@H](C)O 22a_100000210643_217856618621 [0,1,0,0,0,1|2,0,0]=4 2211 B15R1.8875 CC(F)C(=O)Nc1ccccc1C(C)C 11a_100000210643_100000062450 [0,1,0,0,0,1|2,0,0]=4 2212 B15R1.8875 CC(F)C(=O)Nc1ccccc1C(C)C 1626a_100000210643_100000062450 [0,1,0,0,0,1|2,0,0]=4 2213 B15R1.8875 CC(F)C(=O)Nc1ccccc1C(C)C 22a_100000210643_100000062450 [0,1,0,0,0,1|2,0,0]=4 2214 B15R1.8875 CC(F)C(=O)Nc1ccccc1C(C)C 527a_100000210643_100000062450 [0,1,0,0,0,1|2,0,0]=4 2215 B15R1.8875 CC(F)C(=O)Nc1ccccc1N(C)C 11a_100000737595_100000062450 [0,1,0,0,0,1|1,0,0]=3 2216 B15R1.8875 CC(F)C(=O)Nc1ccccc1N(C)C 1626a_100000737595_100000062450 [0,1,0,0,0,1|1,0,0]=3 2217 B15R1.8875 CC(F)C(=O)Nc1ccccc1N(C)C 22a_100000737595_100000062450 [0,1,0,0,0,1|1,0,0]=3 2218 B15R1.8875 CC(F)C(=O)Nc1ccccc1N(C)C 527a_100000737595_100000062450 [0,1,0,0,0,1|1,0,0]=3 2219 B15R1.8875 CN(C)C(=O)Nc1ccccc1N(C)C 2430a_100000737595_100102631434 [0,1,0,0,0,1|1,0,0]=3 2220 B15R1.8875 CN(C)c1ccccc1NC(=O)C(=O)N 22a_100000737595_100011215815 [0,1,0,0,0,1|2,0,0]=4 2221 B15R1.8875 CN(C)c1ccccc1NC(=O)C(F)F 11a_100000737595_100000210393 [0,1,0,0,0,1|2,0,0]=4 2222 B15R1.8875 CN(C)c1ccccc1NC(=O)C(F)F 1626a_100000737595_100000210393 [0,1,0,0,0,1|2,0,0]=4 2223 B15R1.8875 CN(C)c1ccccc1NC(=O)C(F)F 22a_100000737595_100000210393 [0,1,0,0,0,1|2,0,0]=4 2224 B15R1.8875 CN(C)c1ccccc1NC(=O)C(F)F 527a_100000737595_100000210393 [0,1,0,0,0,1|2,0,0]=4 2225 B15R1.8875 CN(C)c1ccccc1NC(=O)C(O)O 22a_100000737595_100000233687 [0,1,0,0,0,1|2,0,0]=4 2226 B15R1.8875 C[C@@H](O)C(=O)Nc1ccccc1N(C)C 22a_100000737595_100000717761 [0,1,0,0,0,1|1,0,0]=3 2227 B15R1.8875 C[C@H](O)C(=O)Nc1ccccc1N(C)C 1626a_100000737595_217856618621 [0,1,0,0,0,1|1,0,0]=3 2228 B15R1.8875 C[C@H](O)C(=O)Nc1ccccc1N(C)C 22a_100000737595_217856618621 [0,1,0,0,0,1|1,0,0]=3 2229 B15R1.13377 C=C(C)c1c(cccc1CC(=O)OC)C 271570a_100000694244_200010150888 [0,1,0,0,0,1|1,0,1]=4 2230 B15R1.40363 C=C(C)c1cccc(c1CC(=O)OC)F 271570a_100000694244_100010741561 [0,1,0,0,0,1|1,0,1]=4 2231 B15R1.40363 CCC(=O)Nc1c(cccc1C(C)C)Br 11a_100010571509_100000210414 [0,1,0,0,0,1|2,0,0]=4 2232 B15R1.40363 CCC(=O)Nc1c(cccc1C(C)C)Br 1626a_100010571509_100000210414 [0,1,0,0,0,1|2,0,0]=4 2233 B15R1.40363 CCC(=O)Nc1c(cccc1C(C)C)C 11a_100138557336_100000210414 [0,1,0,0,0,1|2,0,0]=4 2234 B15R1.40363 CCC(=O)Nc1c(cccc1C(C)C)C 1626a_100138557336_100000210414 [0,1,0,0,0,1|2,0,0]=4 2235 B15R1.40363 CCC(=O)Nc1c(cccc1C(C)C)C 22a_100138557336_100000210414 [0,1,0,0,0,1|2,0,0]=4 2236 B15R1.40363 CCC(=O)Nc1c(cccc1C(C)C)Cl 11a_200009958663_100000210414 [0,1,0,0,0,1|2,0,0]=4 2237 B15R1.40363 CCC(=O)Nc1c(cccc1C(C)C)Cl 1626a_200009958663_100000210414 [0,1,0,0,0,1|2,0,0]=4 2238 B15R1.40363 CNC(=O)Nc1c(cccc1C(C)C)Br 2430a_100010571509_100102657272 [0,1,0,0,0,1|2,0,0]=4 2239 B15R1.40363 CNC(=O)Nc1c(cccc1C(C)C)Br 512a_100010571509_100102657272 [0,1,0,0,0,1|2,0,0]=4 2240 B15R1.40363 CNC(=O)Nc1c(cccc1C(C)C)C 2430a_100138557336_100102657272 [0,1,0,0,0,1|2,0,0]=4 2241 B15R1.40363 CNC(=O)Nc1c(cccc1C(C)C)C 512a_100138557336_100102657272 [0,1,0,0,0,1|2,0,0]=4 2242 B15R1.40363 CNC(=O)Nc1c(cccc1C(C)C)Cl 2430a_200009958663_100102657272 [0,1,0,0,0,1|2,0,0]=4 2243 B15R1.3598 CCNS(=O)(=O)c1ccccc1N(C)C 27a_100102631434_200000165236 [0,2,0,0,0,0|2,0,0]=4 2244 B15R1.3598 CN(C)c1ccccc1S(=O)(=O)CCO 27a_100102631434_200012340577 [0,2,0,0,0,0|2,0,0]=4 2245 B15R1.9049 CN(C)c1ccccc1S(=O)(=O)N(C)C 27a_100102631434_100000165087 [0,2,0,0,0,0|2,0,0]=4 2246 B15R1.11752 CNS(=O)(=O)c1ccccc1C(=O)OC 270084a_100102657272_100000182957 [0,2,0,0,0,0|2,0,0]=4 2247 B15R1.11752 CNS(=O)(=O)c1ccccc1C(=O)OC 274078a_100102657272_100000182957 [0,2,0,0,0,0|2,0,0]=4 2248 B15R1.11752 CNS(=O)(=O)c1ccccc1C(=O)OC 40a_100102657272_200015196601 [0,2,0,0,0,0|2,0,0]=4 2249 B15R1.986 CCN(CC)c1ccccc1C(=O)NC 27a_100000724800_100000155073 [0,2,0,0,0,0|1,0,0]=3 2250 B15R1.986 CCN(CC)c1ncccc1C(=O)NC 27a_100000724800_100000159833 [0,2,0,0,0,0|2,0,0]=4 2251 B15R1.986 CCN(CC)c1ncccc1C(=O)OC 27a_100000724800_100000150852 [0,2,0,0,0,0|1,0,0]=3 2252 B15R1.986 CCN(CC)c1nccnc1C(=O)OC 27a_100000724800_100000079898 [0,2,0,0,0,0|2,0,0]=4 2253 B15R1.986 CCN(CC)c1ncncc1C(=O)OC 27a_100000724800_100000726419 [0,2,0,0,0,0|2,0,0]=4 2254 B15R1.3676 CC(C)C(=O)c1ccccc1C(C)(C)C 1458a_100000690655_100000210206 [0,2,0,0,0,0|2,0,0]=4 2255 B15R1.3676 CN(C)C(=O)c1ccccc1C(C)(C)C 11a_100102631434_100000690655 [0,2,0,0,0,0|2,0,0]=4 2256 B15R1.3676 CN(C)C(=O)c1ccccc1C(C)(C)C 1626a_100102631434_100000690655 [0,2,0,0,0,0|2,0,0]=4 2257 B15R1.3676 CN(C)C(=O)c1ccccc1C(C)(C)C 240690a_100102631434_100000690655 [0,2,0,0,0,0|2,0,0]=4 2258 B15R1.3676 CN(C)C(=O)c1ccccc1C(C)(C)C 527a_100102631434_100000690655 [0,2,0,0,0,0|2,0,0]=4 2259 B15R1.8414 CC(=C(C)c1ccc(cc1N(C)C)O)C 271570a_200000049429_200010083878 [0,2,0,0,0,0|2,0,0]=4 2260 B15R1.8414 CC(C)C(=O)c1ccc(cc1N(C)C)Br 1458a_200000744963_100000210206 [0,2,0,0,0,0|1,0,0]=3 2261 B15R1.8414 CN(C)C(=O)c1ccc(cc1N(C)C)Br 11a_100102631434_200000744963 [0,2,0,0,0,0|1,0,0]=3 2262 B15R1.8414 CN(C)C(=O)c1ccc(cc1N(C)C)Br 1626a_100102631434_200000744963 [0,2,0,0,0,0|1,0,0]=3 2263 B15R1.8414 CN(C)C(=O)c1ccc(cc1N(C)C)Br 240690a_100102631434_200000744963 [0,2,0,0,0,0|1,0,0]=3 2264 B15R1.8416 CC(=C(C)c1cc(ccc1N(C)C)C)C 271570a_200000049429_100012353700 [0,2,0,0,0,0|2,0,0]=4 2265 B15R1.8416 CC(=C(C)c1cc(ccc1N(C)C)F)C 271570a_200000049429_100012349029 [0,2,0,0,0,0|2,0,0]=4 2266 B15R1.8416 CC(=C(C)c1cc(ccc1N(C)C)N)C 271570a_200000049429_100011534197 [0,2,0,0,0,0|2,0,0]=4 2267 B15R1.8416 Cc1ccc(c(c1)C(=O)C(C)C)C(C)C 1458a_200012176289_100000210206 [0,2,0,0,0,0|2,0,0]=4 2268 B15R1.8416 Cc1ccc(c(c1)C(=O)N(C)C)C(C)C 11a_100102631434_200012176289 [0,2,0,0,0,0|2,0,0]=4 2269 B15R1.8416 Cc1ccc(c(c1)C(=O)N(C)C)C(C)C 1626a_100102631434_200012176289 [0,2,0,0,0,0|2,0,0]=4 2270 B15R1.8416 Cc1ccc(c(c1)C(=O)N(C)C)C(C)C 240690a_100102631434_200012176289 [0,2,0,0,0,0|2,0,0]=4 2271 B15R1.8416 Cc1ccc(c(c1)C(=O)N(C)C)C(C)C 527a_100102631434_200012176289 [0,2,0,0,0,0|2,0,0]=4 2272 B15R1.9034 CN(C)c1ccccc1C(=O)C(F)(F)F 1458a_100011218752_200000243211 [0,2,0,0,0,0|2,0,0]=4 2273 B15R1.765 C=C(C)c1ccc(cc1C(=O)OCC)Br 271570a_100000694244_100000171027 [0,2,0,0,0,0|1,0,1]=4 2274 B15R1.765 C=C(C)c1ccc(cc1C(=O)OCC)C 271570a_100000694244_200012353901 [0,2,0,0,0,0|1,0,1]=4 2275 B15R1.765 C=C(C)c1ccc(cc1C(=O)OCC)Cl 271570a_100000694244_100011294803 [0,2,0,0,0,0|1,0,1]=4 2276 B15R1.765 C=C(C)c1ccc(cc1C(=O)OCC)F 271570a_100000694244_100011206316 [0,2,0,0,0,0|1,0,1]=4 2277 B15R1.765 CCCC(=O)c1cc(ccc1C(C)C)C 1458a_200012176289_100000210303 [0,2,0,0,0,0|2,0,0]=4 2278 B15R1.765 CCNC(=O)c1cc(ccc1C(C)C)C 11a_100015525214_200012176289 [0,2,0,0,0,0|2,0,0]=4 2279 B15R1.765 CCNC(=O)c1cc(ccc1C(C)C)C 240690a_100015525214_200012176289 [0,2,0,0,0,0|2,0,0]=4 2280 B15R1.765 CCNC(=O)c1cc(ccc1C(C)C)C 527a_100015525214_200012176289 [0,2,0,0,0,0|2,0,0]=4 2281 B15R1.765 CCOC(=O)c1cc(cnc1N(C)C)C 27a_100102631434_100009868943 [0,2,0,0,0,0|1,0,0]=3 2282 B15R1.765 CCOC(=O)c1cc(nnc1N(C)C)C 27a_100102631434_200010897450 [0,2,0,0,0,0|2,0,0]=4 2283 B15R1.765 CNNC(=O)c1cc(ccc1C(C)C)C 22a_100016993582_200012176289 [0,2,0,0,0,0|2,0,0]=4 2284 B15R1.765 Cc1ccc(c(c1)C(=O)CCF)C(C)C 1458a_200012176289_100011217306 [0,2,0,0,0,0|2,0,0]=4 2285 B15R1.765 Cc1ccc(c(c1)C(=O)CCO)C(C)C 1458a_200012176289_100000211926 [0,2,0,0,0,0|2,0,0]=4 2286 B15R1.811 CC(C)(C)c1ccccc1C(=O)CCF 1458a_100000690655_100011217306 [0,2,0,0,0,0|2,0,0]=4 2287 B15R1.811 CC(C)(C)c1ccccc1C(=O)CCO 1458a_100000690655_100000211926 [0,2,0,0,0,0|2,0,0]=4 2288 B15R1.811 CCCC(=O)c1ccccc1C(C)(C)C 1458a_100000690655_100000210303 [0,2,0,0,0,0|2,0,0]=4 2289 B15R1.811 CCNC(=O)c1ccccc1C(C)(C)C 11a_100015525214_100000690655 [0,2,0,0,0,0|2,0,0]=4 2290 B15R1.811 CCNC(=O)c1ccccc1C(C)(C)C 240690a_100015525214_100000690655 [0,2,0,0,0,0|2,0,0]=4 2291 B15R1.811 CCNC(=O)c1ccccc1C(C)(C)C 527a_100015525214_100000690655 [0,2,0,0,0,0|2,0,0]=4 2292 B15R1.811 CNNC(=O)c1ccccc1C(C)(C)C 22a_100016993582_100000690655 [0,2,0,0,0,0|2,0,0]=4 2293 B15R1.812 C#CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000184674 [0,2,0,0,0,0|2,0,0]=4 2294 B15R1.812 C#CCN(C)c1ccccc1C(=O)NC 27a_100000225692_100000155073 [0,2,0,0,0,0|1,0,0]=3 2295 B15R1.812 C#CCN(C)c1ccccc1C(=O)OC 34a_100000170468_100000184674 [0,2,0,0,0,0|0,0,0]=2 2296 B15R1.812 C#CCN(C)c1ncccc1C(=O)NC 27a_100000225692_100000159833 [0,2,0,0,0,0|2,0,0]=4 2297 B15R1.812 C#CCN(C)c1ncccc1C(=O)OC 27a_100000225692_100000150852 [0,2,0,0,0,0|1,0,0]=3 2298 B15R1.812 C#CCN(C)c1nccnc1C(=O)OC 27a_100000225692_100000079898 [0,2,0,0,0,0|2,0,0]=4 2299 B15R1.812 C#CCN(C)c1ncncc1C(=O)OC 27a_100000225692_100000726419 [0,2,0,0,0,0|2,0,0]=4 2300 B15R1.812 C=CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210623 [0,2,0,0,0,0|2,0,0]=4 2301 B15R1.812 C=CCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000210623 [0,2,0,0,0,0|0,0,0]=2 2302 B15R1.812 C=CCN(C)c1ccccc1C(=O)OC 34a_100000170468_100015514636 [0,2,0,0,0,0|0,0,0]=2 2303 B15R1.812 CCCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210303 [0,2,0,0,0,0|2,0,0]=4 2304 B15R1.812 CCCN(C)c1ccccc1C(=O)NC 27a_100000747261_100000155073 [0,2,0,0,0,0|1,0,0]=3 2305 B15R1.812 CCCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000210303 [0,2,0,0,0,0|0,0,0]=2 2306 B15R1.812 CCCN(C)c1ccccc1C(=O)OC 34a_100000170468_100000210303 [0,2,0,0,0,0|0,0,0]=2 2307 B15R1.812 CCCN(C)c1ncccc1C(=O)NC 27a_100000747261_100000159833 [0,2,0,0,0,0|2,0,0]=4 2308 B15R1.812 CCCN(C)c1ncccc1C(=O)OC 27a_100000747261_100000150852 [0,2,0,0,0,0|1,0,0]=3 2309 B15R1.812 CCCN(C)c1nccnc1C(=O)OC 27a_100000747261_100000079898 [0,2,0,0,0,0|2,0,0]=4 2310 B15R1.812 CCCN(C)c1ncncc1C(=O)OC 27a_100000747261_100000726419 [0,2,0,0,0,0|2,0,0]=4 2311 B15R1.812 CCNC(=O)c1ccccc1C(=O)OC 240690a_100015525214_100011215673 [0,2,0,0,0,0|2,0,0]=4 2312 B15R1.812 CCOC(=O)c1ccccc1N(C)CC 2230a_100160572725_100000210202 [0,2,0,0,0,0|0,0,0]=2 2313 B15R1.812 CCOC(=O)c1ccccc1N(C)CC 269982a_100160572725_100000204670 [0,2,0,0,0,0|0,0,0]=2 2314 B15R1.812 CCOC(=O)c1ccccc1N(C)CF 269982a_100160572725_100015361967 [0,2,0,0,0,0|0,0,0]=2 2315 B15R1.812 CNC(=O)c1ccccc1N(C)CCO 27a_100000210263_100000155073 [0,2,0,0,0,0|1,0,0]=3 2316 B15R1.812 CNC(=O)c1cccnc1N(C)CCO 27a_100000210263_100000159833 [0,2,0,0,0,0|2,0,0]=4 2317 B15R1.812 CNNC(=O)c1ccccc1C(=O)OC 22a_100016993582_100011215673 [0,2,0,0,0,0|2,0,0]=4 2318 B15R1.812 COC(=O)c1ccccc1C(=O)CC#N 1458a_100011215673_100011214920 [0,2,0,0,0,0|2,0,0]=4 2319 B15R1.812 COC(=O)c1ccccc1C(=O)CCF 1458a_100011215673_100011217306 [0,2,0,0,0,0|2,0,0]=4 2320 B15R1.812 COC(=O)c1ccccc1C(=O)CCO 1458a_100011215673_100000211926 [0,2,0,0,0,0|2,0,0]=4 2321 B15R1.812 COC(=O)c1ccccc1N(C)CC#N 269982a_100000170468_100011214920 [0,2,0,0,0,0|0,0,0]=2 2322 B15R1.812 COC(=O)c1ccccc1N(C)CC=O 269982a_100000170468_200015260668 [0,2,0,0,0,0|0,0,0]=2 2323 B15R1.812 COC(=O)c1ccccc1N(C)CC=O 34a_100000170468_200009817547 [0,2,0,0,0,0|0,0,0]=2 2324 B15R1.812 COC(=O)c1ccccc1N(C)CCF 269982a_100000170468_100011217306 [0,2,0,0,0,0|0,0,0]=2 2325 B15R1.812 COC(=O)c1ccccc1N(C)CCF 34a_100000170468_100011217306 [0,2,0,0,0,0|0,0,0]=2 2326 B15R1.812 COC(=O)c1ccccc1N(C)CCO 269982a_100000170468_100000211926 [0,2,0,0,0,0|0,0,0]=2 2327 B15R1.812 COC(=O)c1ccccc1N(C)CCO 34a_100000170468_100000211926 [0,2,0,0,0,0|0,0,0]=2 2328 B15R1.812 COC(=O)c1ccccc1N(C)CSC 269982a_100000170468_100011218213 [0,2,0,0,0,0|0,0,0]=2 2329 B15R1.812 COC(=O)c1ccccc1N(C)CSC 34a_100000170468_100011218213 [0,2,0,0,0,0|0,0,0]=2 2330 B15R1.812 COC(=O)c1cccnc1N(C)CCO 27a_100000210263_100000150852 [0,2,0,0,0,0|1,0,0]=3 2331 B15R1.812 COC(=O)c1cncnc1N(C)CCO 27a_100000210263_100000726419 [0,2,0,0,0,0|2,0,0]=4 2332 B15R1.812 COC(=O)c1nccnc1N(C)CCO 27a_100000210263_100000079898 [0,2,0,0,0,0|2,0,0]=4 2333 B15R1.812 COCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000766300 [0,2,0,0,0,0|0,0,0]=2 2334 B15R1.1239 C#CCCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000753159 [0,2,0,0,0,0|2,0,0]=4 2335 B15R1.1239 C#CCCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000753159 [0,2,0,0,0,0|1,0,0]=3 2336 B15R1.1239 C#CCNC(=O)c1ccccc1C(C)C 11a_100000212058_100011941426 [0,2,0,0,0,0|2,0,0]=4 2337 B15R1.1239 C#CCNC(=O)c1ccccc1C(C)C 1626a_100000212058_100011941426 [0,2,0,0,0,0|2,0,0]=4 2338 B15R1.1239 C#CCNC(=O)c1ccccc1C(C)C 240690a_100000212058_100011941426 [0,2,0,0,0,0|2,0,0]=4 2339 B15R1.1239 C#CCNC(=O)c1ccccc1C(C)C 527a_100000212058_100011941426 [0,2,0,0,0,0|2,0,0]=4 2340 B15R1.1239 C#CCNC(=O)c1ccccc1N(C)C 11a_100000212058_100011218752 [0,2,0,0,0,0|1,0,0]=3 2341 B15R1.1239 C#CCNC(=O)c1ccccc1N(C)C 1626a_100000212058_100011218752 [0,2,0,0,0,0|1,0,0]=3 2342 B15R1.1239 C#CCNC(=O)c1ccccc1N(C)C 240690a_100000212058_100011218752 [0,2,0,0,0,0|1,0,0]=3 2343 B15R1.1239 C#CCNC(=O)c1ccccc1N(C)C 527a_100000212058_100011218752 [0,2,0,0,0,0|1,0,0]=3 2344 B15R1.1239 C/C=C/CC(=O)c1ccccc1C(C)C 1458a_100011941426_100102629194 [0,2,0,0,0,0|2,0,0]=4 2345 B15R1.1239 C/C=C/CC(=O)c1ccccc1N(C)C 1458a_100011218752_100102629194 [0,2,0,0,0,0|1,0,0]=3 2346 B15R1.1239 C=CCCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000754431 [0,2,0,0,0,0|2,0,0]=4 2347 B15R1.1239 C=CCCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000754431 [0,2,0,0,0,0|1,0,0]=3 2348 B15R1.1239 C=CCNC(=O)c1ccccc1C(C)C 1626a_100020586998_100011941426 [0,2,0,0,0,0|2,0,0]=4 2349 B15R1.1239 C=CCNC(=O)c1ccccc1C(C)C 240690a_100020586998_100011941426 [0,2,0,0,0,0|2,0,0]=4 2350 B15R1.1239 C=CCNC(=O)c1ccccc1C(C)C 527a_100020586998_100011941426 [0,2,0,0,0,0|2,0,0]=4 2351 B15R1.1239 C=CCNC(=O)c1ccccc1N(C)C 1626a_100020586998_100011218752 [0,2,0,0,0,0|1,0,0]=3 2352 B15R1.1239 C=CCNC(=O)c1ccccc1N(C)C 240690a_100020586998_100011218752 [0,2,0,0,0,0|1,0,0]=3 2353 B15R1.1239 C=CCNC(=O)c1ccccc1N(C)C 527a_100020586998_100011218752 [0,2,0,0,0,0|1,0,0]=3 2354 B15R1.1239 CC#CCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000748600 [0,2,0,0,0,0|2,0,0]=4 2355 B15R1.1239 CC#CCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000748600 [0,2,0,0,0,0|1,0,0]=3 2356 B15R1.1239 CC(C)c1ccccc1C(=O)CCC#N 1458a_100011941426_100011215226 [0,2,0,0,0,0|2,0,0]=4 2357 B15R1.1239 CC(C)c1ccccc1C(=O)CCCF 1458a_100011941426_100011934791 [0,2,0,0,0,0|2,0,0]=4 2358 B15R1.1239 CC(C)c1ccccc1C(=O)CCCO 1458a_100011941426_100011215043 [0,2,0,0,0,0|2,0,0]=4 2359 B15R1.1239 CC(C)c1ccccc1C(=O)NCC#N 1626a_100000734998_100011941426 [0,2,0,0,0,0|2,0,0]=4 2360 B15R1.1239 CC(C)c1ccccc1C(=O)NCC#N 527a_100000734998_100011941426 [0,2,0,0,0,0|2,0,0]=4 2361 B15R1.1239 CC(C)c1ccccc1C(=O)NCCF 11a_100000724931_100011941426 [0,2,0,0,0,0|2,0,0]=4 2362 B15R1.1239 CC(C)c1ccccc1C(=O)NCCF 1626a_100000724931_100011941426 [0,2,0,0,0,0|2,0,0]=4 2363 B15R1.1239 CC(C)c1ccccc1C(=O)NCCF 240690a_100000724931_100011941426 [0,2,0,0,0,0|2,0,0]=4 2364 B15R1.1239 CC(C)c1ccccc1C(=O)NCCF 527a_100000724931_100011941426 [0,2,0,0,0,0|2,0,0]=4 2365 B15R1.1239 CC(C)c1ccccc1C(=O)NCCO 240690a_100000210304_100011941426 [0,2,0,0,0,0|2,0,0]=4 2366 B15R1.1239 CC(C)c1ccccc1C(=O)NCCO 527a_100000210304_100011941426 [0,2,0,0,0,0|2,0,0]=4 2367 B15R1.1239 CC=CCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000070051 [0,2,0,0,0,0|2,0,0]=4 2368 B15R1.1239 CC=CCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000070051 [0,2,0,0,0,0|1,0,0]=3 2369 B15R1.1239 CCCCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000210211 [0,2,0,0,0,0|2,0,0]=4 2370 B15R1.1239 CCCCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000210211 [0,2,0,0,0,0|1,0,0]=3 2371 B15R1.1239 CCCNC(=O)c1ccccc1C(C)C 11a_100020643023_100011941426 [0,2,0,0,0,0|2,0,0]=4 2372 B15R1.1239 CCCNC(=O)c1ccccc1C(C)C 1626a_100020643023_100011941426 [0,2,0,0,0,0|2,0,0]=4 2373 B15R1.1239 CCCNC(=O)c1ccccc1C(C)C 240690a_100020643023_100011941426 [0,2,0,0,0,0|2,0,0]=4 2374 B15R1.1239 CCCNC(=O)c1ccccc1C(C)C 527a_100020643023_100011941426 [0,2,0,0,0,0|2,0,0]=4 2375 B15R1.1239 CCCNC(=O)c1ccccc1N(C)C 11a_100020643023_100011218752 [0,2,0,0,0,0|1,0,0]=3 2376 B15R1.1239 CCCNC(=O)c1ccccc1N(C)C 1626a_100020643023_100011218752 [0,2,0,0,0,0|1,0,0]=3 2377 B15R1.1239 CCCNC(=O)c1ccccc1N(C)C 240690a_100020643023_100011218752 [0,2,0,0,0,0|1,0,0]=3 2378 B15R1.1239 CCCNC(=O)c1ccccc1N(C)C 27a_100102631434_200000152266 [0,2,0,0,0,0|1,0,0]=3 2379 B15R1.1239 CCCNC(=O)c1ccccc1N(C)C 527a_100020643023_100011218752 [0,2,0,0,0,0|1,0,0]=3 2380 B15R1.1239 CCCNC(=O)c1cccnc1N(C)C 27a_100102631434_100000161721 [0,2,0,0,0,0|2,0,0]=4 2381 B15R1.1239 CCNN=C(C)c1ccccc1N(C)C 4a_100000756455_200000696099 [0,2,0,0,0,0|2,0,0]=4 2382 B15R1.1239 CCNNC(=O)c1ccccc1C(C)C 22a_100000756455_100011941426 [0,2,0,0,0,0|2,0,0]=4 2383 B15R1.1239 CCNNC(=O)c1ccccc1N(C)C 22a_100000756455_100011218752 [0,2,0,0,0,0|1,0,0]=3 2384 B15R1.1239 CN(C)c1ccccc1C(=O)CCC#N 1458a_100011218752_100011215226 [0,2,0,0,0,0|1,0,0]=3 2385 B15R1.1239 CN(C)c1ccccc1C(=O)CCCF 1458a_100011218752_100011934791 [0,2,0,0,0,0|1,0,0]=3 2386 B15R1.1239 CN(C)c1ccccc1C(=O)CCCO 1458a_100011218752_100011215043 [0,2,0,0,0,0|1,0,0]=3 2387 B15R1.1239 CN(C)c1ccccc1C(=O)NCC#N 1626a_100000734998_100011218752 [0,2,0,0,0,0|1,0,0]=3 2388 B15R1.1239 CN(C)c1ccccc1C(=O)NCC#N 527a_100000734998_100011218752 [0,2,0,0,0,0|1,0,0]=3 2389 B15R1.1239 CN(C)c1ccccc1C(=O)NCCF 11a_100000724931_100011218752 [0,2,0,0,0,0|1,0,0]=3 2390 B15R1.1239 CN(C)c1ccccc1C(=O)NCCF 1626a_100000724931_100011218752 [0,2,0,0,0,0|1,0,0]=3 2391 B15R1.1239 CN(C)c1ccccc1C(=O)NCCF 240690a_100000724931_100011218752 [0,2,0,0,0,0|1,0,0]=3 2392 B15R1.1239 CN(C)c1ccccc1C(=O)NCCF 527a_100000724931_100011218752 [0,2,0,0,0,0|1,0,0]=3 2393 B15R1.1239 CN(C)c1ccccc1C(=O)NCCO 240690a_100000210304_100011218752 [0,2,0,0,0,0|1,0,0]=3 2394 B15R1.1239 CN(C)c1ccccc1C(=O)NCCO 27a_100102631434_200000158863 [0,2,0,0,0,0|1,0,0]=3 2395 B15R1.1239 CN(C)c1ccccc1C(=O)NCCO 527a_100000210304_100011218752 [0,2,0,0,0,0|1,0,0]=3 2396 B15R1.1239 COCCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000233755 [0,2,0,0,0,0|1,0,0]=3 2397 B15R1.1239 COCCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000233755 [0,2,0,0,0,0|0,0,0]=2 2398 B15R1.1239 COCCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000233755 [0,2,0,0,0,0|2,0,0]=4 2399 B15R1.1239 CSCCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000751147 [0,2,0,0,0,0|1,1,0]=4 2400 B15R1.1239 CSCCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000751147 [0,2,0,0,0,0|0,1,0]=3 2401 B15R1.5509 C=C(C)CC(=O)c1ccccc1C(C)C 1458a_100011941426_100000748629 [0,2,0,0,0,0|2,0,0]=4 2402 B15R1.5509 C=C(C)CC(=O)c1ccccc1N(C)C 1458a_100011218752_100000748629 [0,2,0,0,0,0|1,0,0]=3 2403 B15R1.5509 C=C(C)c1ccccc1C(=O)OC(C)C 271570a_100000694244_100000169877 [0,2,0,0,0,0|1,0,1]=4 2404 B15R1.5509 C=C(F)CC(=O)c1ccccc1N(C)C 1458a_100011218752_100009893438 [0,2,0,0,0,0|1,0,1]=4 2405 B15R1.5509 CC(C)CC(=O)c1ccccc1C(C)C 1458a_100011941426_100000210624 [0,2,0,0,0,0|2,0,0]=4 2406 B15R1.5509 CC(C)CC(=O)c1ccccc1N(C)C 1458a_100011218752_100000210624 [0,2,0,0,0,0|1,0,0]=3 2407 B15R1.5509 CC(C)NC(=O)c1ccccc1C(C)C 11a_100138425928_100011941426 [0,2,0,0,0,0|2,0,0]=4 2408 B15R1.5509 CC(C)NC(=O)c1ccccc1C(C)C 1626a_100138425928_100011941426 [0,2,0,0,0,0|2,0,0]=4 2409 B15R1.5509 CC(C)NC(=O)c1ccccc1C(C)C 240690a_100138425928_100011941426 [0,2,0,0,0,0|2,0,0]=4 2410 B15R1.5509 CC(C)NC(=O)c1ccccc1C(C)C 527a_100138425928_100011941426 [0,2,0,0,0,0|2,0,0]=4 2411 B15R1.5509 CC(C)NC(=O)c1ccccc1N(C)C 11a_100138425928_100011218752 [0,2,0,0,0,0|1,0,0]=3 2412 B15R1.5509 CC(C)NC(=O)c1ccccc1N(C)C 1626a_100138425928_100011218752 [0,2,0,0,0,0|1,0,0]=3 2413 B15R1.5509 CC(C)NC(=O)c1ccccc1N(C)C 240690a_100138425928_100011218752 [0,2,0,0,0,0|1,0,0]=3 2414 B15R1.5509 CC(C)NC(=O)c1ccccc1N(C)C 27a_100102631434_200000152627 [0,2,0,0,0,0|1,0,0]=3 2415 B15R1.5509 CC(C)NC(=O)c1ccccc1N(C)C 527a_100138425928_100011218752 [0,2,0,0,0,0|1,0,0]=3 2416 B15R1.5509 CC(C)OC(=O)c1ccccc1N(C)C 269982a_100000170470_200000210301 [0,2,0,0,0,0|0,0,0]=2 2417 B15R1.5509 CC(C)OC(=O)c1ccccc1N(C)C 38a_100000170470_200000210301 [0,2,0,0,0,0|0,0,0]=2 2418 B15R1.5509 CC(C)OC(=O)c1ccccc1N(C)[13CH3] 269982a_100000170470_200025704644 [0,2,0,0,0,0|0,0,0]=2 2419 B15R1.5509 CC(C)OC(=O)c1ccccc1N(C)[13CH3] 38a_100000170470_200025704644 [0,2,0,0,0,0|0,0,0]=2 2420 B15R1.5509 CC(C)c1ccccc1C(=O)CC(F)F 1458a_100011941426_100011934356 [0,2,0,0,0,0|2,0,0]=4 2421 B15R1.5509 CC(O)CC(=O)c1ccccc1C(C)C 1458a_100011941426_100011218427 [0,2,0,0,0,0|2,0,0]=4 2422 B15R1.5509 CC(O)CC(=O)c1ccccc1N(C)C 1458a_100011218752_100011218427 [0,2,0,0,0,0|1,0,0]=3 2423 B15R1.5509 CN(C)c1ccccc1C(=O)CC(=O)N 1458a_100011218752_100000187820 [0,2,0,0,0,0|1,0,1]=4 2424 B15R1.5509 CN(C)c1ccccc1C(=O)CC(=O)[O-] 1458a_100011218752_100020667443 [0,2,0,0,0,0|1,0,1]=4 2425 B15R1.5509 CN(C)c1ccccc1C(=O)CC(F)F 1458a_100011218752_100011934356 [0,2,0,0,0,0|1,0,0]=3 2426 B15R1.5509 CN(C)c1ccccc1C(=O)C[N+](=O)[O-] 1458a_100011218752_100000761209 [0,2,0,0,0,0|2,0,0]=4 2427 B15R1.10569 C#CCC(=O)c1ccc(cc1N(C)C)Br 1458a_200000744963_100000184674 [0,2,0,0,0,0|1,0,1]=4 2428 B15R1.10569 C=C(C)c1cc(ccc1C(=O)OCC)C 271570a_100000694244_200012185120 [0,2,0,0,0,0|1,0,1]=4 2429 B15R1.10569 C=C(C)c1cc(ccc1C(=O)OCC)Cl 271570a_100000694244_100000047509 [0,2,0,0,0,0|1,0,1]=4 2430 B15R1.10569 C=C(C)c1cc(ccc1C(=O)OCC)F 271570a_100000694244_100011206307 [0,2,0,0,0,0|1,0,1]=4 2431 B15R1.10569 C=CCC(=O)c1ccc(cc1N(C)C)Br 1458a_200000744963_100000210623 [0,2,0,0,0,0|1,0,1]=4 2432 B15R1.10569 CCCC(=O)c1ccc(cc1N(C)C)Br 1458a_200000744963_100000210303 [0,2,0,0,0,0|1,0,0]=3 2433 B15R1.10569 CCNC(=O)c1ccc(cc1N(C)C)Br 11a_100015525214_200000744963 [0,2,0,0,0,0|1,0,0]=3 2434 B15R1.10569 CCNC(=O)c1ccc(cc1N(C)C)Br 240690a_100015525214_200000744963 [0,2,0,0,0,0|1,0,0]=3 2435 B15R1.10569 CCNC(=O)c1ccc(cc1N(C)C)F 27a_100102631434_100000203945 [0,2,0,0,0,0|1,0,0]=3 2436 B15R1.10569 CCOC(=O)c1ccc(cc1N(C)C)F 27a_100102631434_100011206307 [0,2,0,0,0,0|0,0,0]=2 2437 B15R1.10569 CCOC(=O)c1cnc(nc1N(C)C)C 27a_100102631434_100011240830 [0,2,0,0,0,0|2,0,0]=4 2438 B15R1.10569 CCOC(=O)c1cnc(nc1N(C)C)N 27a_100102631434_100010080570 [0,2,0,0,0,0|2,0,0]=4 2439 B15R1.10569 CN(C)c1cc(ccc1C(=O)CC#N)Br 1458a_200000744963_100011214920 [0,2,0,0,0,0|1,0,1]=4 2440 B15R1.10569 CN(C)c1cc(ccc1C(=O)CCF)Br 1458a_200000744963_100011217306 [0,2,0,0,0,0|1,0,0]=3 2441 B15R1.10569 CN(C)c1cc(ccc1C(=O)CCO)Br 1458a_200000744963_100000211926 [0,2,0,0,0,0|1,0,0]=3 2442 B15R1.10569 CNNC(=O)c1ccc(cc1N(C)C)Br 22a_100016993582_200000744963 [0,2,0,0,0,0|1,0,0]=3 2443 B15R1.10602 C=C(C)c1c(cccc1C(=O)OCC)C 271570a_100000694244_200012184857 [0,2,0,0,0,0|1,0,1]=4 2444 B15R1.10602 C=C(C)c1c(cccc1C(=O)OCC)F 271570a_100000694244_100012357632 [0,2,0,0,0,0|1,0,1]=4 2445 B15R1.10616 C=C(C)c1cccc(c1C(=O)OCC)F 271570a_100000694244_100012357633 [0,2,0,0,0,0|1,0,1]=4 2446 B15R1.10616 CCOC(=O)c1c(cccc1N(C)C)F 27a_100102631434_100012357633 [0,2,0,0,0,0|0,0,0]=2 2447 B15R1.10616 CCOC(=O)c1c(ccnc1N(C)C)C 27a_100102631434_100010068243 [0,2,0,0,0,0|1,0,0]=3 2448 B15R1.10616 CCOC(=O)c1c(ccnc1N(C)C)N 27a_100102631434_100010588025 [0,2,0,0,0,0|1,0,0]=3 2449 B15R1.10616 CCOC(=O)c1c(ncnc1N(C)C)C 27a_100102631434_200010876006 [0,2,0,0,0,0|2,0,0]=4 2450 B15R1.90 C=C(C)c1ccc(cc1C(=O)OC)C#N 271570a_100000694244_100009817095 [0,2,0,0,0,0|1,0,1]=4 2451 B15R1.90 C=C(C)c1ccc(cc1C(=O)OC)C=O 271570a_100000694244_100013328361 [0,2,0,0,0,0|1,0,1]=4 2452 B15R1.90 C=C(C)c1ccc(cc1C(=O)OC)CN 271570a_100000694244_100016988414 [0,2,0,0,0,0|1,0,1]=4 2453 B15R1.90 C=C(C)c1ccc(cc1C(=O)OC)OC 271570a_100000694244_100000151459 [0,2,0,0,0,0|1,0,1]=4 2454 B15R1.38521 CCC(=O)c1cc(ccc1C(=O)OC)F 1458a_200010710419_100000210202 [0,2,0,0,0,0|2,0,0]=4 2455 B15R1.38521 CCN(C)c1cc(ccc1C(=O)OC)Br 269982a_200160487225_100000204670 [0,2,0,0,0,0|0,0,0]=2 2456 B15R1.38521 CCN(C)c1cc(ccc1C(=O)OC)Br 34a_200160487225_100000210202 [0,2,0,0,0,0|0,0,0]=2 2457 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)Br 269982a_200000216482_100000204670 [0,2,0,0,0,0|0,0,0]=2 2458 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)Br 34a_200000216482_100000210202 [0,2,0,0,0,0|0,0,0]=2 2459 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)Br 7a_200000216482_100000210202 [0,2,0,0,0,0|0,0,0]=2 2460 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)Cl 269982a_100000216484_100000204670 [0,2,0,0,0,0|0,0,0]=2 2461 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)Cl 34a_100000216484_100000210202 [0,2,0,0,0,0|0,0,0]=2 2462 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)Cl 38a_100000216484_100000204670 [0,2,0,0,0,0|0,0,0]=2 2463 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)F 269982a_100011806480_100000204670 [0,2,0,0,0,0|0,0,0]=2 2464 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)F 34a_100011806480_100000210202 [0,2,0,0,0,0|0,0,0]=2 2465 B15R1.38521 CCN(C)c1ccc(cc1C(=O)OC)F 38a_100011806480_100000204670 [0,2,0,0,0,0|0,0,0]=2 2466 B15R1.38521 CNC(=O)c1cc(ccc1C(=O)OC)F 1626a_100102657272_200010710419 [0,2,0,0,0,0|2,0,0]=4 2467 B15R1.38521 CNC(=O)c1cc(ccc1C(=O)OC)F 240690a_100102657272_200010710419 [0,2,0,0,0,0|2,0,0]=4 2468 B15R1.38521 COC(=O)c1cc(ccc1N(C)CF)Br 269982a_200000216482_100015361967 [0,2,0,0,0,0|0,0,0]=2 2469 B15R1.38521 COC(=O)c1cc(ccc1N(C)CF)Br 34a_200000216482_100015361967 [0,2,0,0,0,0|0,0,0]=2 2470 B15R1.38521 COC(=O)c1cc(ccc1N(C)CF)Br 7a_200000216482_100015361967 [0,2,0,0,0,0|0,0,0]=2 2471 B15R1.38521 COC(=O)c1cc(ccc1N(C)CF)Cl 269982a_100000216484_100015361967 [0,2,0,0,0,0|0,0,0]=2 2472 B15R1.38521 COC(=O)c1cc(ccc1N(C)CF)Cl 34a_100000216484_100015361967 [0,2,0,0,0,0|0,0,0]=2 2473 B15R1.38521 COC(=O)c1cc(ccc1N(C)CF)Cl 38a_100000216484_100015361967 [0,2,0,0,0,0|0,0,0]=2 2474 B15R1.38521 COC(=O)c1cc(ccc1N(C)CF)F 269982a_100011806480_100015361967 [0,2,0,0,0,0|0,0,0]=2 2475 B15R1.38521 COC(=O)c1cc(ccc1N(C)CF)F 34a_100011806480_100015361967 [0,2,0,0,0,0|0,0,0]=2 2476 B15R1.38521 COC(=O)c1cc(ccc1N(C)CF)F 38a_100011806480_100015361967 [0,2,0,0,0,0|0,0,0]=2 2477 B15R1.38521 COC(=O)c1ccc(cc1C(=O)CF)F 1458a_200010710419_100015361967 [0,2,0,0,0,0|2,0,0]=4 2478 B15R1.38521 COC(=O)c1ccc(cc1C(=O)OC)O 271570a_203496583355_100012352768 [0,2,0,0,0,0|2,0,0]=4 2479 B15R1.38521 COC(=O)c1ccc(cc1N(C)CF)Br 269982a_200160487225_100015361967 [0,2,0,0,0,0|0,0,0]=2 2480 B15R1.38521 COC(=O)c1ccc(cc1N(C)CF)Br 34a_200160487225_100015361967 [0,2,0,0,0,0|0,0,0]=2 2481 B15R1.39536 C=C(C)c1c(cc(cc1C(=O)OC)F)C 271570a_100000694244_100016049047 [0,2,0,0,0,0|1,0,1]=4 2482 B15R1.39536 C=C(C)c1c(cc(cc1C(=O)OC)F)F 271570a_100000694244_100010155431 [0,2,0,0,0,0|1,0,1]=4 2483 B15R1.39536 C=C(C)c1c(cc(cc1C(=O)OC)F)N 271570a_100000694244_100011794234 [0,2,0,0,0,0|1,0,1]=4 2484 B15R1.39645 C=C(C)c1cc(c(cc1C(=O)OC)Br)Cl 271570a_100000694244_200012920379 [0,2,0,0,0,0|1,0,1]=4 2485 B15R1.39645 C=C(C)c1cc(c(cc1C(=O)OC)C)F 271570a_100000694244_100015451887 [0,2,0,0,0,0|1,0,1]=4 2486 B15R1.39645 C=C(C)c1cc(c(cc1C(=O)OC)F)Br 271570a_100000694244_100014686389 [0,2,0,0,0,0|1,0,1]=4 2487 B15R1.39645 C=C(C)c1cc(c(cc1C(=O)OC)F)C 271570a_100000694244_100015763395 [0,2,0,0,0,0|1,0,1]=4 2488 B15R1.39645 C=C(C)c1cc(c(cc1C(=O)OC)F)F 271570a_100000694244_100010195689 [0,2,0,0,0,0|1,0,1]=4 2489 B15R1.39645 C=C(C)c1cc(c(cc1C(=O)OC)F)N 271570a_100000694244_100010764352 [0,2,0,0,0,0|1,0,1]=4 2490 B15R1.39645 C=C(C)c1cc(c(cc1C(=O)OC)N)C 271570a_100000694244_100000730709 [0,2,0,0,0,0|1,0,1]=4 2491 B15R1.39664 C=C(C)c1ccc(c(c1C(=O)OC)C)F 271570a_100000694244_100015681208 [0,2,0,0,0,0|1,0,1]=4 2492 B15R1.39664 C=C(C)c1ccc(c(c1C(=O)OC)C)N 271570a_100000694244_100000718917 [0,2,0,0,0,0|1,0,1]=4 2493 B15R1.39664 C=C(C)c1ccc(c(c1C(=O)OC)C)O 271570a_100000694244_100010074912 [0,2,0,0,0,0|1,0,1]=4 2494 B15R1.39664 C=C(C)c1ccc(c(c1C(=O)OC)F)Br 271570a_100000694244_100015883209 [0,2,0,0,0,0|1,0,1]=4 2495 B15R1.39664 C=C(C)c1ccc(c(c1C(=O)OC)F)C 271570a_100000694244_100010782293 [0,2,0,0,0,0|1,0,1]=4 2496 B15R1.11678 COC(=O)c1ccc(cc1S(=O)(=O)C)O 271570a_203496583355_100010164370 [0,2,0,0,0,0|2,0,0]=4 2497 B15R1.38509 CCC(=O)c1c(cccc1C(=O)OC)Br 1458a_100010710481_100000210202 [0,2,0,0,0,0|2,0,0]=4 2498 B15R1.38509 CCN(C)c1cccc(c1C(=O)OC)Cl 269982a_200010565112_100000204670 [0,2,0,0,0,0|0,0,0]=2 2499 B15R1.38509 CCN(C)c1cccc(c1C(=O)OC)Cl 34a_200010565112_100000210202 [0,2,0,0,0,0|0,0,0]=2 2500 B15R1.38509 CNC(=O)c1c(cccc1C(=O)OC)Br 1626a_100102657272_100010710481 [0,2,0,0,0,0|2,0,0]=4 2501 B15R1.38509 CNC(=O)c1c(cccc1C(=O)OC)Br 240690a_100102657272_100010710481 [0,2,0,0,0,0|2,0,0]=4 2502 B15R1.38509 CNC(=O)c1c(cccc1C(=O)OC)Br 527a_100102657272_100010710481 [0,2,0,0,0,0|2,0,0]=4 2503 B15R1.38509 COC(=O)c1c(cccc1N(C)CF)Cl 269982a_200010565112_100015361967 [0,2,0,0,0,0|0,0,0]=2 2504 B15R1.38509 COC(=O)c1c(cccc1N(C)CF)Cl 34a_200010565112_100015361967 [0,2,0,0,0,0|0,0,0]=2 2505 B15R1.38509 COC(=O)c1cccc(c1C(=O)CF)Br 1458a_100010710481_100015361967 [0,2,0,0,0,0|2,0,0]=4 2506 B15R1.38509 COC(=O)c1cccc(c1C(=O)OC)O 271570a_203496583355_200010231110 [0,2,0,0,0,0|2,0,0]=4 2507 B15R1.1861 C=C(C)c1cc(ccc1C(=O)OC)C#N 271570a_100000694244_100009832033 [0,2,0,0,0,0|1,0,1]=4 2508 B15R1.1861 C=C(C)c1cc(ccc1C(=O)OC)C=O 271570a_100000694244_100010630601 [0,2,0,0,0,0|1,0,1]=4 2509 B15R1.1861 C=C(C)c1cc(ccc1C(=O)OC)OC 271570a_100000694244_100009815674 [0,2,0,0,0,0|1,0,1]=4 2510 B15R1.39475 C=C(C)c1c(ccc(c1F)F)C(=O)OC 271570a_100000694244_100010710315 [0,2,0,0,0,0|1,0,1]=4 2511 B15R1.39738 C=C(C)c1cc(cc(c1C(=O)OC)F)C 271570a_100000694244_100015667323 [0,2,0,0,0,0|1,0,1]=4 2512 B15R1.39738 C=C(C)c1cc(cc(c1C(=O)OC)F)F 271570a_100000694244_100010009842 [0,2,0,0,0,0|1,0,1]=4 2513 B15R1.1571 C=C(C)c1c(cccc1C(=O)OC)CC 271570a_100000694244_200009992460 [0,2,0,0,0,0|1,0,1]=4 2514 B15R1.1571 C=C(C)c1c(cccc1C(=O)OC)OC 271570a_100000694244_100010189551 [0,2,0,0,0,0|1,0,1]=4 2515 B15R1.1571 COC(=O)c1cccc(c1C(=O)C)OC 34a_100161115307_200000210301 [0,2,0,0,0,0|2,0,0]=4 2516 B15R1.1571 COC(=O)c1cccc(c1C(=O)C)OC 7a_100161115307_200000210301 [0,2,0,0,0,0|2,0,0]=4 2517 B15R1.1571 COC(=O)c1cccc(c1C(=O)C)O[13CH3] 34a_100161115307_200025704644 [0,2,0,0,0,0|2,0,0]=4 2518 B15R1.1571 COC(=O)c1cccc(c1C(=O)C)O[13CH3] 7a_100161115307_200025704644 [0,2,0,0,0,0|2,0,0]=4 2519 B15R1.39791 C=C(C)c1c(ccc(c1C(=O)OC)F)F 271570a_100000694244_100011071027 [0,2,0,0,0,0|1,0,1]=4 2520 B15R1.12642 C=C(C)c1cccc(c1C(=O)OC)C#N 271570a_100000694244_100009843633 [0,2,0,0,0,0|1,0,1]=4 2521 B15R1.12642 C=C(C)c1cccc(c1C(=O)OC)OC 271570a_100000694244_100010189552 [0,2,0,0,0,0|1,0,1]=4 2522 B13R1.150 CC(C)C=Cc1cccc(=O)n1C 271570a_100016257149_100000726605 [0,0,1,1,0,0|2,0,0]=4 2523 B13R1.551 COC(=O)c1[nH]ccc1C=C(C)C 271570a_100102525489_100102525103 [0,0,1,1,0,0|2,0,0]=4 2524 B13R1.551 COC(=O)c1ccoc1C=C(C)C 271570a_100102525489_100011935261 [0,0,1,1,0,0|2,0,0]=4 2525 B13R1.551 COC(=O)c1ccoc1CN(C)C 2230a_100102631434_100009813464 [0,0,1,1,0,0|1,0,1]=4 2526 B13R1.551 COC(=O)c1ccoc1CN(C)C 269982a_100102631434_100009813464 [0,0,1,1,0,0|1,0,1]=4 2527 B13R1.551 COC(=O)c1ccsc1C=C(C)C 271570a_100102525489_100009822520 [0,0,1,1,0,0|2,0,0]=4 2528 B13R1.551 COC(=O)c1cscc1C=C(C)C 271570a_100102525489_100012351140 [0,0,1,1,0,0|2,0,0]=4 2529 B13R1.551 COC(=O)c1occc1C=C(C)C 271570a_100102525489_100012676306 [0,0,1,1,0,0|2,0,0]=4 2530 B13R1.551 COC(=O)c1occc1CN(C)C 2230a_100102631434_100000734845 [0,0,1,1,0,0|1,0,1]=4 2531 B13R1.551 COC(=O)c1occc1CN(C)C 269982a_100102631434_100000734845 [0,0,1,1,0,0|1,0,1]=4 2532 B13R1.551 COC(=O)c1sccc1C=C(C)C 271570a_100102525489_100000730364 [0,0,1,1,0,0|2,0,0]=4 2533 B13R1.643 COc1cccc(c1)C=CC(C)C 271570a_100016257149_100000170001 [0,0,1,1,0,0|2,0,0]=4 2534 B13R1.643 COc1cccc(n1)C=CC(C)C 271570a_100016257149_100000760917 [0,0,1,1,0,0|2,0,0]=4 2535 B13R1.314 C=Cc1cc(cc(c1)C(=O)OC)C 271570a_100011290941_100012359405 [0,0,1,1,0,0|1,0,1]=4 2536 B13R1.314 C=Cc1cc(cc(n1)C)C(=O)OC 271570a_100011290941_100000695393 [0,0,1,1,0,0|2,0,0]=4 2537 B13R2.582 C=Cc1cccc2c1C(=O)OC2 271570a_100011290941_100010132333 [1,0,0,1,0,0|1,0,1]=4 2538 B13R2.582 COc1cccc2c1C(=O)CC2 34a_100000066596_200000210301 [1,0,0,1,0,0|2,0,0]=4 2539 B13R2.582 COc1cccc2c1C(=O)CC2 7a_100000066596_200000210301 [1,0,0,1,0,0|2,0,0]=4 2540 B13R2.582 CSc1cccc2c1C(=O)CC2 62a_100009816781_200000210301 [1,0,0,1,0,0|2,0,0]=4 2541 B13R2.582 CSc1cccc2c1C(=O)CC2 62a_200000210301_100009816781 [1,0,0,1,0,0|2,0,0]=4 2542 B13R2.582 CSc1cccc2c1C(=O)NC2 62a_100000724024_200000210301 [1,0,0,1,0,0|2,0,0]=4 2543 B13R2.582 CSc1cccc2c1C(=O)NC2 62a_200000210301_100000724024 [1,0,0,1,0,0|2,0,0]=4 2544 B13R2.582 CSc1cccc2c1C(=O)OC2 62a_100010132333_200000210301 [1,0,0,1,0,0|1,0,0]=3 2545 B13R2.582 [13CH3]Oc1cccc2c1C(=O)CC2 34a_100000066596_200025704644 [1,0,0,1,0,0|2,0,0]=4 2546 B13R2.582 [13CH3]Oc1cccc2c1C(=O)CC2 7a_100000066596_200025704644 [1,0,0,1,0,0|2,0,0]=4 2547 B13R2.582 [13CH3]Sc1cccc2c1C(=O)CC2 62a_100009816781_200025704644 [1,0,0,1,0,0|2,0,0]=4 2548 B13R2.582 [13CH3]Sc1cccc2c1C(=O)CC2 62a_200025704644_100009816781 [1,0,0,1,0,0|2,0,0]=4 2549 B13R2.582 [13CH3]Sc1cccc2c1C(=O)NC2 62a_100000724024_200025704644 [1,0,0,1,0,0|2,0,0]=4 2550 B13R2.582 [13CH3]Sc1cccc2c1C(=O)NC2 62a_200025704644_100000724024 [1,0,0,1,0,0|2,0,0]=4 2551 B13R2.582 [13CH3]Sc1cccc2c1C(=O)OC2 62a_100010132333_200025704644 [1,0,0,1,0,0|1,0,0]=3 2552 B13R2.2931 CSc1nn(c2c1cccc2)C 62a_100009817141_200000210301 [1,0,0,1,0,0|1,1,0]=4 2553 B13R2.2931 CSc1nn(c2c1cccc2)C 62a_200000210301_100009817141 [1,0,0,1,0,0|1,1,0]=4 2554 B13R2.2931 Cn1nc(c2c1cccc2)S[13CH3] 62a_100009817141_200025704644 [1,0,0,1,0,0|1,1,0]=4 2555 B13R2.2931 Cn1nc(c2c1cccc2)S[13CH3] 62a_200025704644_100009817141 [1,0,0,1,0,0|1,1,0]=4 2556 B13R2.5514 C=C(C)c1ccccc1C2CC2 271570a_100000694244_100009819954 [1,0,0,1,0,0|2,0,0]=4 2557 B13R2.5514 CC(=O)c1ccccc1C2CC2 1458a_100011688854_200000210301 [1,0,0,1,0,0|1,0,0]=3 2558 B13R2.5514 CC(=O)c1ccccc1C2CC2 271570a_100011220607_100000751169 [1,0,0,1,0,0|1,0,0]=3 2559 B13R2.5514 CC(=O)c1cccnc1C2CC2 271570a_100011220607_100000753718 [1,0,0,1,0,0|2,0,0]=4 2560 B13R2.5514 CC(=O)c1ccncc1C2CC2 271570a_100011220607_100009993184 [1,0,0,1,0,0|2,0,0]=4 2561 B13R2.5514 CC(=O)c1cnccc1C2CC2 271570a_100011220607_100160469449 [1,0,0,1,0,0|2,0,0]=4 2562 B13R2.5514 CC(=O)c1ncccc1C2CC2 271570a_100011220607_100012348690 [1,0,0,1,0,0|2,0,0]=4 2563 B13R2.5514 CN(C)c1ccccc1C2CC2 271570a_100011220607_100011290883 [1,0,0,1,0,0|1,0,1]=4 2564 B13R2.5514 CS(=O)c1ccccc1C2CC2 271570a_100011220607_100000734199 [1,0,0,1,0,0|2,0,0]=4 2565 B13R2.5514 NC(=O)c1ccccc1C2CC2 271570a_100011220607_100000162227 [1,0,0,1,0,0|2,0,0]=4 2566 B13R2.5514 [13CH3]C(=O)c1ccccc1C2CC2 1458a_100011688854_200025704644 [1,0,0,1,0,0|1,0,0]=3 2567 B13R2.268 CC=Cc1ccccc1C2CC2 271570a_100016259895_100009819954 [1,0,0,1,0,0|2,0,0]=4 2568 B13R2.268 COCc1ccccc1C2CC2 271570a_100011220607_100011493684 [1,0,0,1,0,0|1,0,1]=4 2569 B13R2.268 COCc1ccccc1C2CC2 34a_100012675891_200000210301 [1,0,0,1,0,0|1,0,1]=4 2570 B13R2.268 COCc1ccccc1C2CC2 7a_100012675891_200000210301 [1,0,0,1,0,0|1,0,1]=4 2571 B13R2.268 [13CH3]OCc1ccccc1C2CC2 34a_100012675891_200025704644 [1,0,0,1,0,0|1,0,1]=4 2572 B13R2.268 [13CH3]OCc1ccccc1C2CC2 7a_100012675891_200025704644 [1,0,0,1,0,0|1,0,1]=4 2573 B13R2.5569 CN(C)c1cccc2c1non2 27a_100102631434_100009820244 [1,0,0,1,0,0|2,0,0]=4 2574 B13R2.1079 COC(=O)c1[nH]ccc1C2CC2 271570a_100011220607_100102525103 [0,0,0,1,1,0|2,0,0]=4 2575 B13R2.1079 COC(=O)c1ccoc1C2CC2 271570a_100011220607_100011935261 [0,0,0,1,1,0|2,0,0]=4 2576 B13R2.1079 COC(=O)c1ccsc1C2CC2 271570a_100011220607_100009822520 [0,0,0,1,1,0|2,0,0]=4 2577 B13R2.1079 COC(=O)c1cscc1C2CC2 271570a_100011220607_100012351140 [0,0,0,1,1,0|2,0,0]=4 2578 B13R2.1079 COC(=O)c1occc1C2CC2 271570a_100011220607_100012676306 [0,0,0,1,1,0|2,0,0]=4 2579 B13R2.1079 COC(=O)c1sccc1C2CC2 271570a_100011220607_100000730364 [0,0,0,1,1,0|2,0,0]=4 2580 B15R2.19309 CCC(=O)c1cccc2c1nn(c2)C 1458a_100009847837_100000210202 [0,0,0,1,0,1|1,0,1]=4 2581 B15R2.19309 CNC(=O)c1cccc2c1nn(c2)C 11a_106832991635_100009847837 [0,0,0,1,0,1|1,0,1]=4 2582 B15R2.19309 CNC(=O)c1cccc2c1nn(c2)C 1626a_100102657272_100009847837 [0,0,0,1,0,1|1,0,1]=4 2583 B15R2.19309 CNC(=O)c1cccc2c1nn(c2)C 240690a_100102657272_100009847837 [0,0,0,1,0,1|1,0,1]=4 2584 B15R2.19309 CNC(=O)c1cccc2c1nn(c2)C 527a_100102657272_100009847837 [0,0,0,1,0,1|1,0,1]=4 2585 B15R2.19309 COC(=O)c1cccc2c1CN(C2)C 2230a_100016997665_200000210301 [0,0,0,1,0,1|0,0,0]=2 2586 B15R2.19309 COC(=O)c1cccc2c1CN(C2)C 269982a_100016997665_200000210301 [0,0,0,1,0,1|0,0,0]=2 2587 B15R2.19309 COC(=O)c1cccc2c1CN(C2)[13CH3] 2230a_100016997665_200025704644 [0,0,0,1,0,1|0,0,0]=2 2588 B15R2.19309 COC(=O)c1cccc2c1CN(C2)[13CH3] 269982a_100016997665_200025704644 [0,0,0,1,0,1|0,0,0]=2 2589 B15R2.19335 CNC(=O)c1ccccc1NC2CC2 27a_100000212008_100000155073 [0,0,0,1,0,1|2,0,0]=4 2590 B15R2.19335 CNC(=O)c1ccccc1NC2CC2 34a_100000185696_100000211595 [0,0,0,1,0,1|2,0,0]=4 2591 B15R2.19335 CNC(=O)c1ccccc1OC2CC2 34a_100000185920_100000211595 [0,0,0,1,0,1|2,0,0]=4 2592 B15R2.19335 CNC(=O)c1ccccc1SC2CC2 62a_100000155073_100000211595 [0,0,0,1,0,1|2,0,0]=4 2593 B15R2.19335 COC(=O)c1ccccc1SC2CC2 62a_100000148710_100000211595 [0,0,0,1,0,1|1,0,0]=3 2594 B15R2.19335 COC(=O)c1cccnc1NC2CC2 27a_100000212008_100000150852 [0,0,0,1,0,1|2,0,0]=4 2595 B15R2.19335 COC(=O)c1cccnc1SC2CC2 62a_100011587185_100000211595 [0,0,0,1,0,1|2,0,0]=4 2596 B15R2.19335 COC(=O)c1ccncc1SC2CC2 62a_100010008606_100000211595 [0,0,0,1,0,1|2,0,0]=4 2597 B15R2.19335 COC(=O)c1cnccc1SC2CC2 62a_100020629055_100000211595 [0,0,0,1,0,1|2,0,0]=4 2598 B15R2.19335 COC(=O)c1ncccc1OC2CC2 34a_100000744052_100000211595 [0,0,0,1,0,1|2,0,0]=4 2599 B15R2.19335 COC(=O)c1ncccc1SC2CC2 62a_100011935214_100000211595 [0,0,0,1,0,1|2,0,0]=4 2600 B15R2.49945 CC(=Cc1cccc2c1C(=O)CC2)C 271570a_100102525489_100009816781 [0,0,0,1,0,1|2,0,0]=4 2601 B15R2.49945 CC(=Cc1cccc2c1C(=O)NC2)C 271570a_100102525489_100000724024 [0,0,0,1,0,1|2,0,0]=4 2602 B15R2.49945 CC(=Cc1cccc2c1C(=O)OC2)C 271570a_100102525489_100010132333 [0,0,0,1,0,1|1,0,0]=3 2603 B15R2.49945 CC(C)Oc1cccc2c1C(=O)CC2 34a_100000066596_100000210206 [0,0,0,1,0,1|2,0,0]=4 2604 B15R2.49945 CC(C)Oc1cccc2c1C(=O)CC2 7a_100000066596_100000210206 [0,0,0,1,0,1|2,0,0]=4 2605 B15R2.49945 CC(C)Sc1cccc2c1C(=O)CC2 62a_100000210206_100009816781 [0,0,0,1,0,1|2,0,0]=4 2606 B15R2.49945 CC(C)Sc1cccc2c1C(=O)CC2 62a_100009816781_100000210206 [0,0,0,1,0,1|2,0,0]=4 2607 B15R2.49945 CC(C)Sc1cccc2c1C(=O)NC2 62a_100000210206_100000724024 [0,0,0,1,0,1|2,0,0]=4 2608 B15R2.49945 CC(C)Sc1cccc2c1C(=O)NC2 62a_100000724024_100000210206 [0,0,0,1,0,1|2,0,0]=4 2609 B15R2.49945 CC(C)Sc1cccc2c1C(=O)OC2 62a_100010132333_100000210206 [0,0,0,1,0,1|1,0,0]=3 2610 B15R2.19516 CCC(=O)Nc1ccccc1C2CC2 11a_100011236190_100000210414 [0,0,0,1,0,1|2,0,0]=4 2611 B15R2.19516 CCC(=O)Nc1ccccc1C2CC2 1626a_100011236190_100000210414 [0,0,0,1,0,1|2,0,0]=4 2612 B15R2.19516 CCC(=O)Nc1ccccc1C2CC2 22a_100011236190_100000210414 [0,0,0,1,0,1|2,0,0]=4 2613 B15R2.19516 CCC(=O)Nc1ccccc1C2CC2 271570a_100011220607_100000153536 [0,0,0,1,0,1|2,0,0]=4 2614 B15R2.19516 CNC(=O)Cc1ccccc1C2CC2 271570a_100011220607_200009816160 [0,0,0,1,0,1|2,0,0]=4 2615 B15R2.19516 CNC(=O)Nc1ccccc1C2CC2 2430a_100011236190_100102657272 [0,0,0,1,0,1|2,0,0]=4 2616 B15R2.19516 COC(=O)Cc1ccccc1C2CC2 271570a_100011220607_100000699816 [0,0,0,1,0,1|1,0,0]=3 2617 B15R2.19516 COC(=O)Cc1cccnc1C2CC2 271570a_100011220607_100010293180 [0,0,0,1,0,1|2,0,0]=4 2618 B15R2.19516 COC(=O)Cc1ncccc1C2CC2 271570a_100011220607_100012347948 [0,0,0,1,0,1|2,0,0]=4 2619 B15R2.19516 COC(=O)Nc1ccccc1C2CC2 271570a_100011220607_100000216184 [0,0,0,1,0,1|1,0,0]=3 2620 B15R2.1221 CC(C)c1ccccc1C2=CCOC2 271570a_100009872500_100011218076 [0,1,0,1,0,0|2,0,0]=4 2621 B15R2.1221 CC(C)c1ccccc1C2=COCC2 271570a_100000118173_100011218076 [0,1,0,1,0,0|2,0,0]=4 2622 B15R2.1221 CN(C)c1ccccc1C2=CCCC2 271570a_100000089523_100011290883 [0,1,0,1,0,0|2,0,0]=4 2623 B15R2.1221 CN(C)c1ccccc1C2=CCOC2 271570a_100009872500_100011290883 [0,1,0,1,0,0|1,0,0]=3 2624 B15R2.1221 CN(C)c1ccccc1C2=COCC2 271570a_100000118173_100011290883 [0,1,0,1,0,0|1,0,0]=3 2625 B15R2.1221 CN(C)c1ccccc1c2ccco2 271570a_100000698014_100009814098 [0,1,0,1,0,0|1,0,1]=4 2626 B15R2.1221 CN(C)c1ccccc1c2ccco2 271570a_100000750936_100011290883 [0,1,0,1,0,0|1,0,1]=4 2627 B15R2.1221 CN(C)c1ccccc1c2ccoc2 271570a_100000698014_100011215275 [0,1,0,1,0,0|1,0,1]=4 2628 B15R2.1221 CN(C)c1ccccc1c2ccoc2 271570a_100011218838_100011290883 [0,1,0,1,0,0|1,0,1]=4 2629 B15R2.1221 CN(C)c1ccccc1c2cnco2 271570a_100000698014_100020591547 [0,1,0,1,0,0|1,0,1]=4 2630 B15R2.1221 CN(C)c1ccccc1c2cnoc2 271570a_100000698014_100009815712 [0,1,0,1,0,0|2,0,0]=4 2631 B15R2.1221 CN(C)c1ccccc1c2ncco2 271570a_100000698014_100011787736 [0,1,0,1,0,0|1,0,1]=4 2632 B15R2.1221 CN(C)c1ccncc1C2=CCOC2 271570a_100009872500_100012355995 [0,1,0,1,0,0|2,0,0]=4 2633 B15R2.1221 CN(C)c1ccncc1C2=COCC2 271570a_100000118173_100012355995 [0,1,0,1,0,0|2,0,0]=4 2634 B15R2.1221 CN(C)c1ncccc1C2=CCOC2 271570a_100009872500_100011465059 [0,1,0,1,0,0|2,0,0]=4 2635 B15R2.1221 CN(C)c1ncccc1C2=COCC2 271570a_100000118173_100011465059 [0,1,0,1,0,0|2,0,0]=4 2636 B15R2.16318 C=C(c1ccccc1N(C)C)C2CC2 271570a_100010895485_100011290883 [0,1,0,1,0,0|2,0,0]=4 2637 B15R2.27880 CC(C)C(=O)c1ccccc1C2CC2 1458a_100011688854_100000210206 [0,1,0,1,0,0|2,0,0]=4 2638 B15R2.27880 CN(C)C(=O)c1ccccc1C2CC2 11a_100102631434_100011688854 [0,1,0,1,0,0|2,0,0]=4 2639 B15R2.27880 CN(C)C(=O)c1ccccc1C2CC2 1626a_100102631434_100011688854 [0,1,0,1,0,0|2,0,0]=4 2640 B15R2.27880 CN(C)C(=O)c1ccccc1C2CC2 271570a_100011220607_100000159526 [0,1,0,1,0,0|2,0,0]=4 2641 B15R2.27880 CN(C)C(=O)c1ccccc1C2CC2 527a_100102631434_100011688854 [0,1,0,1,0,0|2,0,0]=4 2642 B15R2.17198 CCCC(=O)c1ccccc1C2CC2 1458a_100011688854_100000210303 [0,1,0,1,0,0|2,0,0]=4 2643 B15R2.17198 CCNC(=O)c1ccccc1C2CC2 11a_100015525214_100011688854 [0,1,0,1,0,0|2,0,0]=4 2644 B15R2.17198 CCNC(=O)c1ccccc1C2CC2 271570a_100011220607_200000155173 [0,1,0,1,0,0|2,0,0]=4 2645 B15R2.17198 CCNC(=O)c1ccccc1C2CC2 527a_100015525214_100011688854 [0,1,0,1,0,0|2,0,0]=4 2646 B15R2.17198 CCOC(=O)c1ccccc1C2CC2 271570a_100011220607_100000169879 [0,1,0,1,0,0|1,0,0]=3 2647 B15R2.17198 CCOC(=O)c1cccnc1C2CC2 271570a_100011220607_100000170124 [0,1,0,1,0,0|2,0,0]=4 2648 B15R2.17198 CCOC(=O)c1ccncc1C2CC2 271570a_100011220607_100010238393 [0,1,0,1,0,0|2,0,0]=4 2649 B15R2.17198 CCOC(=O)c1cnccc1C2CC2 271570a_100011220607_100016987518 [0,1,0,1,0,0|2,0,0]=4 2650 B15R2.17198 CCOC(=O)c1ncccc1C2CC2 271570a_100011220607_100012351660 [0,1,0,1,0,0|2,0,0]=4 2651 B15R2.17198 CNNC(=O)c1ccccc1C2CC2 22a_100016993582_100011688854 [0,1,0,1,0,0|2,0,0]=4 2652 B15R2.17198 O=C(CCF)c1ccccc1C2CC2 1458a_100011688854_100011217306 [0,1,0,1,0,0|2,0,0]=4 2653 B15R2.17198 O=C(CCO)c1ccccc1C2CC2 1458a_100011688854_100000211926 [0,1,0,1,0,0|2,0,0]=4 2654 B15R2.61345 CN(C)c1cccc2c1c(=O)[nH]cn2 27a_100102631434_100000696754 [0,1,0,1,0,0|1,0,1]=4 2655 B15R2.19184 CNC(=O)c1cc(ccc1C2CC2)Cl 271570a_100011220607_200011279454 [0,1,0,1,0,0|2,0,0]=4 2656 B15R2.19184 CNC(=O)c1cc(ccc1C2CC2)F 271570a_100011220607_200000206232 [0,1,0,1,0,0|2,0,0]=4 2657 B15R2.19184 COC(=O)c1cc(ccc1C2CC2)Br 271570a_100011220607_100000148213 [0,1,0,1,0,0|1,0,0]=3 2658 B15R2.19184 COC(=O)c1cc(ccc1C2CC2)C 271570a_100011220607_100012339458 [0,1,0,1,0,0|1,0,0]=3 2659 B15R2.19184 COC(=O)c1cc(ccc1C2CC2)Cl 271570a_100011220607_100011294804 [0,1,0,1,0,0|1,0,0]=3 2660 B15R2.19184 COC(=O)c1cc(ccc1C2CC2)F 271570a_100011220607_100000205820 [0,1,0,1,0,0|1,0,0]=3 2661 B15R2.19184 COC(=O)c1cc(ccc1C2CC2)N 271570a_100011220607_100000696289 [0,1,0,1,0,0|1,0,0]=3 2662 B15R2.19184 COC(=O)c1cc(ccc1C2CC2)O 271570a_100011220607_100010230369 [0,1,0,1,0,0|1,0,0]=3 2663 B15R2.19184 COC(=O)c1cc(cnc1C2CC2)C 271570a_100011220607_100000085774 [0,1,0,1,0,0|2,0,0]=4 2664 B15R2.19184 COC(=O)c1cc(cnc1C2CC2)F 271570a_100011220607_100012000215 [0,1,0,1,0,0|2,0,0]=4 2665 B15R2.19184 COC(=O)c1cc(cnc1C2CC2)N 271570a_100011220607_200012182668 [0,1,0,1,0,0|2,0,0]=4 2666 B15R2.19184 COC(=O)c1cc(ncc1C2CC2)N 271570a_100011220607_100011934820 [0,1,0,1,0,0|2,0,0]=4 2667 B15R2.19184 COC(=O)c1cc(ncc1C2CC2)O 271570a_100011220607_100009816900 [0,1,0,1,0,0|2,0,0]=4 2668 B15R2.19184 COC(=O)c1nc(ccc1C2CC2)N 271570a_100011220607_100009816986 [0,1,0,1,0,0|2,0,0]=4 2669 B15R2.19184 COC(=O)c1nc(ccc1C2CC2)O 271570a_100011220607_100010189638 [0,1,0,1,0,0|2,0,0]=4 2670 B15R2.19310 CCC(=O)c1cccc2c1n(cc2)C 1458a_100011935264_100000210202 [0,1,0,1,0,0|1,0,1]=4 2671 B15R2.19310 CCC(=O)c1cccc2c1n(nc2)C 1458a_100009846163_100000210202 [0,1,0,1,0,0|1,0,1]=4 2672 B15R2.19310 CNC(=O)c1cccc2c1n(cc2)C 11a_106832991635_100011935264 [0,1,0,1,0,0|1,0,1]=4 2673 B15R2.19310 CNC(=O)c1cccc2c1n(cc2)C 1626a_100102657272_100011935264 [0,1,0,1,0,0|1,0,1]=4 2674 B15R2.19310 CNC(=O)c1cccc2c1n(cc2)C 240690a_100102657272_100011935264 [0,1,0,1,0,0|1,0,1]=4 2675 B15R2.19310 CNC(=O)c1cccc2c1n(cc2)C 527a_100102657272_100011935264 [0,1,0,1,0,0|1,0,1]=4 2676 B15R2.19310 CNC(=O)c1cccc2c1n(nc2)C 11a_106832991635_100009846163 [0,1,0,1,0,0|1,0,1]=4 2677 B15R2.19310 CNC(=O)c1cccc2c1n(nc2)C 1626a_100102657272_100009846163 [0,1,0,1,0,0|1,0,1]=4 2678 B15R2.19310 CNC(=O)c1cccc2c1n(nc2)C 240690a_100102657272_100009846163 [0,1,0,1,0,0|1,0,1]=4 2679 B15R2.19310 CNC(=O)c1cccc2c1n(nc2)C 527a_100102657272_100009846163 [0,1,0,1,0,0|1,0,1]=4 2680 B15R2.19399 CNC(=O)c1ccccc1N2CCC2 27a_100000754969_100000155073 [0,1,0,1,0,0|1,0,0]=3 2681 B15R2.19399 CNC(=O)c1cccnc1N2CCC2 27a_100000754969_100000159833 [0,1,0,1,0,0|2,0,0]=4 2682 B15R2.19399 COC(=O)c1cccnc1N2CCC2 27a_100000754969_100000150852 [0,1,0,1,0,0|1,0,0]=3 2683 B15R2.19399 COC(=O)c1cncnc1N2CCC2 27a_100000754969_100000726419 [0,1,0,1,0,0|2,0,0]=4 2684 B15R2.19399 COC(=O)c1nccnc1N2CCC2 27a_100000754969_100000079898 [0,1,0,1,0,0|2,0,0]=4 2685 B15R2.19300 CCC(=O)c1ccc(cc1C2CC2)C 271570a_100011220607_200012349623 [0,1,0,1,0,0|2,0,0]=4 2686 B15R2.19300 CNC(=O)c1ccc(cc1C2CC2)F 271570a_100011220607_200000206206 [0,1,0,1,0,0|2,0,0]=4 2687 B15R2.19300 COC(=O)c1ccc(cc1C2CC2)Br 271570a_100011220607_100000701758 [0,1,0,1,0,0|1,0,0]=3 2688 B15R2.19300 COC(=O)c1ccc(cc1C2CC2)C 271570a_100011220607_100012340597 [0,1,0,1,0,0|1,0,0]=3 2689 B15R2.19300 COC(=O)c1ccc(cc1C2CC2)Cl 271570a_100011220607_100000047510 [0,1,0,1,0,0|1,0,0]=3 2690 B15R2.19300 COC(=O)c1ccc(cc1C2CC2)F 271570a_100011220607_100000204356 [0,1,0,1,0,0|1,0,0]=3 2691 B15R2.19300 COC(=O)c1ccc(cc1C2CC2)N 271570a_100011220607_100009998378 [0,1,0,1,0,0|1,0,0]=3 2692 B15R2.19300 COC(=O)c1ccc(cc1C2CC2)O 271570a_100011220607_100010150825 [0,1,0,1,0,0|1,0,0]=3 2693 B15R2.19300 COC(=O)c1ccc(nc1C2CC2)C 271570a_100011220607_100000054099 [0,1,0,1,0,0|2,0,0]=4 2694 B15R2.19300 COC(=O)c1ccc(nc1C2CC2)N 271570a_100011220607_100009865240 [0,1,0,1,0,0|2,0,0]=4 2695 B15R2.19300 COC(=O)c1ccc(nc1C2CC2)O 271570a_100011220607_100016008356 [0,1,0,1,0,0|2,0,0]=4 2696 B15R2.19300 COC(=O)c1cnc(cc1C2CC2)C 271570a_100011220607_100011998247 [0,1,0,1,0,0|2,0,0]=4 2697 B15R2.19300 COC(=O)c1ncc(cc1C2CC2)C 271570a_100011220607_100010167497 [0,1,0,1,0,0|2,0,0]=4 2698 B15R2.19300 COC(=O)c1ncc(cc1C2CC2)F 271570a_100011220607_100010189631 [0,1,0,1,0,0|2,0,0]=4 2699 B15R2.49989 CN(C)c1cc(cc2c1C(=O)CC2)F 27a_100102631434_100010079923 [0,1,0,1,0,0|1,0,0]=3 2700 B15R2.19355 COC(=O)c1cccc(c1C2CC2)Br 271570a_100011220607_100010150843 [0,1,0,1,0,0|1,0,0]=3 2701 B15R2.19355 COC(=O)c1cccc(c1C2CC2)C 271570a_100011220607_100012002529 [0,1,0,1,0,0|1,0,0]=3 2702 B15R2.19355 COC(=O)c1cccc(c1C2CC2)F 271570a_100011220607_100012357630 [0,1,0,1,0,0|1,0,0]=3 2703 B15R2.19355 COC(=O)c1cccc(c1C2CC2)N 271570a_100011220607_100000719424 [0,1,0,1,0,0|1,0,0]=3 2704 B15R2.19355 COC(=O)c1cccc(c1C2CC2)O 271570a_100011220607_200010230364 [0,1,0,1,0,0|1,0,0]=3 2705 B15R2.78175 CNC(=O)c1c(cccc1C2CC2)F 271570a_100011220607_100012642803 [0,1,0,1,0,0|2,0,0]=4 2706 B15R2.78175 COC(=O)c1c(cccc1C2CC2)Br 271570a_100011220607_100010247157 [0,1,0,1,0,0|1,0,0]=3 2707 B15R2.78175 COC(=O)c1c(cccc1C2CC2)C 271570a_100011220607_100010204206 [0,1,0,1,0,0|1,0,0]=3 2708 B15R2.78175 COC(=O)c1c(cccc1C2CC2)Cl 271570a_100011220607_100010150959 [0,1,0,1,0,0|1,0,0]=3 2709 B15R2.78175 COC(=O)c1c(cccc1C2CC2)F 271570a_100011220607_100000150693 [0,1,0,1,0,0|1,0,0]=3 2710 B15R2.78175 COC(=O)c1c(cccc1C2CC2)N 271570a_100011220607_100010253892 [0,1,0,1,0,0|1,0,0]=3 2711 B15R2.78175 COC(=O)c1c(ccnc1C2CC2)F 271570a_100011220607_100015560809 [0,1,0,1,0,0|2,0,0]=4 2712 B15R2.78175 COC(=O)c1c(ccnc1C2CC2)N 271570a_100011220607_100009985557 [0,1,0,1,0,0|2,0,0]=4 2713 B15R2.78175 COC(=O)c1c(ccnc1Cl)C2CC2 271570a_100011220607_100010138530 [0,1,0,1,0,0|2,0,0]=4 2714 B15R2.78175 COC(=O)c1c(ccnc1F)C2CC2 271570a_100011220607_100010150474 [0,1,0,1,0,0|2,0,0]=4 2715 B15R2.78175 COC(=O)c1c(cncc1C2CC2)F 271570a_100011220607_100010189632 [0,1,0,1,0,0|2,0,0]=4 2716 B15R3.59884 O=C1CCc2c1c(ccc2)C3CC3 271570a_100011220607_100009816781 [0,0,0,2,0,0|2,0,0]=4 2717 B15R3.59884 O=C1NCc2c1c(ccc2)C3CC3 271570a_100011220607_100000724024 [0,0,0,2,0,0|2,0,0]=4 2718 B15R3.59884 O=C1OCc2c1c(ccc2)C3CC3 271570a_100011220607_100010132333 [0,0,0,2,0,0|1,0,0]=3 2719 B11R1.59 COC(=O)c1[nH]ccc1OC 34a_100000131702_200000210301 [1,0,0,0,1,0|2,0,0]=4 2720 B11R1.59 COC(=O)c1[nH]ccc1O[13CH3] 34a_100000131702_200025704644 [1,0,0,0,1,0|2,0,0]=4 2721 B11R1.59 COC(=O)c1[nH]ccc1SC 62a_200000210301_100102525103 [1,0,0,0,1,0|2,0,0]=4 2722 B11R1.59 COC(=O)c1[nH]ccc1S[13CH3] 62a_200025704644_100102525103 [1,0,0,0,1,0|2,0,0]=4 2723 B11R1.59 COC(=O)c1ccoc1SC 62a_200000210301_100011935261 [1,0,0,0,1,0|2,0,0]=4 2724 B11R1.59 COC(=O)c1ccoc1S[13CH3] 62a_200025704644_100011935261 [1,0,0,0,1,0|2,0,0]=4 2725 B11R1.59 COC(=O)c1ccsc1SC 62a_100009822520_200000210301 [1,0,0,0,1,0|2,0,0]=4 2726 B11R1.59 COC(=O)c1ccsc1SC 62a_200000210301_100009822520 [1,0,0,0,1,0|2,0,0]=4 2727 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_100009822520_200025704644 [1,0,0,0,1,0|2,0,0]=4 2728 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_200025704644_100009822520 [1,0,0,0,1,0|2,0,0]=4 2729 B11R1.59 COC(=O)c1cscc1SC 62a_100012351140_200000210301 [1,0,0,0,1,0|2,0,0]=4 2730 B11R1.59 COC(=O)c1cscc1SC 62a_200000210301_100012351140 [1,0,0,0,1,0|2,0,0]=4 2731 B11R1.59 COC(=O)c1cscc1S[13CH3] 62a_100012351140_200025704644 [1,0,0,0,1,0|2,0,0]=4 2732 B11R1.59 COC(=O)c1cscc1S[13CH3] 62a_200025704644_100012351140 [1,0,0,0,1,0|2,0,0]=4 2733 B11R1.59 COC(=O)c1occc1SC 62a_200000210301_100012676306 [1,0,0,0,1,0|2,0,0]=4 2734 B11R1.59 COC(=O)c1occc1S[13CH3] 62a_200025704644_100012676306 [1,0,0,0,1,0|2,0,0]=4 2735 B11R1.59 COC(=O)c1sccc1OC 7a_100000043449_200000210301 [1,0,0,0,1,0|2,0,0]=4 2736 B11R1.59 COC(=O)c1sccc1O[13CH3] 7a_100000043449_200025704644 [1,0,0,0,1,0|2,0,0]=4 2737 B11R1.59 COC(=O)c1sccc1SC 62a_200000210301_100000730364 [1,0,0,0,1,0|2,0,0]=4 2738 B11R1.59 COC(=O)c1sccc1S[13CH3] 62a_200025704644_100000730364 [1,0,0,0,1,0|2,0,0]=4 2739 B13R1.91 C=Cc1ccccc1CC(=O)OC 271570a_100011290941_100000699816 [1,0,0,0,0,1|1,0,1]=4 2740 B13R1.91 C=Cc1ccccc1NC(=O)OC 271570a_100011290941_100000216184 [1,0,0,0,0,1|1,0,1]=4 2741 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000210414_100000210004 [1,0,0,0,0,1|2,0,0]=4 2742 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000211604_100000210202 [1,0,0,0,0,1|2,0,0]=4 2743 B13R1.91 CCC(=O)Cc1ccccc1SC 1458a_100000210414_100000699184 [1,0,0,0,0,1|2,0,0]=4 2744 B13R1.91 CCC(=O)Nc1ccccc1CC 11a_100000212081_100000210414 [1,0,0,0,0,1|2,0,0]=4 2745 B13R1.91 CCC(=O)Nc1ccccc1CC 1626a_100000212081_100000210414 [1,0,0,0,0,1|2,0,0]=4 2746 B13R1.91 CCC(=O)Nc1ccccc1CC 22a_100000212081_100000210414 [1,0,0,0,0,1|2,0,0]=4 2747 B13R1.91 CCC(=O)Nc1ccccc1CC 527a_100000212081_100000210414 [1,0,0,0,0,1|2,0,0]=4 2748 B13R1.91 CCC(=O)Nc1ccccc1OC 11a_100000210025_100000210414 [1,0,0,0,0,1|2,0,0]=4 2749 B13R1.91 CCC(=O)Nc1ccccc1OC 1626a_100000210025_100000210414 [1,0,0,0,0,1|2,0,0]=4 2750 B13R1.91 CCC(=O)Nc1ccccc1OC 22a_100000210025_100000210414 [1,0,0,0,0,1|2,0,0]=4 2751 B13R1.91 CCC(=O)Nc1ccccc1OC 527a_100000210025_100000210414 [1,0,0,0,0,1|2,0,0]=4 2752 B13R1.91 CCC(=O)Nc1ccccc1SC 11a_100000211160_100000210414 [1,0,0,0,0,1|2,0,0]=4 2753 B13R1.91 CCC(=O)Nc1ccccc1SC 22a_100000211160_100000210414 [1,0,0,0,0,1|2,0,0]=4 2754 B13R1.91 CCC(=O)Nc1ccccc1SC 62a_200000210301_100000153536 [1,0,0,0,0,1|2,0,0]=4 2755 B13R1.91 CCC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153536 [1,0,0,0,0,1|2,0,0]=4 2756 B13R1.91 CCc1ccccc1NC(=O)NC 2430a_100000212081_100102657272 [1,0,0,0,0,1|2,0,0]=4 2757 B13R1.91 CNC(=O)Cc1ccccc1NC 2230a_100000738506_200000210301 [1,0,0,0,0,1|1,0,0]=3 2758 B13R1.91 CNC(=O)Cc1ccccc1NC 34a_100000738506_200000210301 [1,0,0,0,0,1|1,0,0]=3 2759 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 2230a_100000738506_200025704644 [1,0,0,0,0,1|1,0,0]=3 2760 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 34a_100000738506_200025704644 [1,0,0,0,0,1|1,0,0]=3 2761 B13R1.91 CNC(=O)Cc1ccccc1OC 11a_106832991635_100000211604 [1,0,0,0,0,1|2,0,0]=4 2762 B13R1.91 CNC(=O)Cc1ccccc1OC 1626a_100102657272_100000211604 [1,0,0,0,0,1|2,0,0]=4 2763 B13R1.91 CNC(=O)Cc1ccccc1OC 240690a_100102657272_100000211604 [1,0,0,0,0,1|2,0,0]=4 2764 B13R1.91 CNC(=O)Cc1ccccc1OC 527a_100102657272_100000211604 [1,0,0,0,0,1|2,0,0]=4 2765 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200000210301_200009816160 [1,0,0,0,0,1|2,0,0]=4 2766 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200009816160_200000210301 [1,0,0,0,0,1|2,0,0]=4 2767 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200009816160_200025704644 [1,0,0,0,0,1|2,0,0]=4 2768 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_200009816160 [1,0,0,0,0,1|2,0,0]=4 2769 B13R1.91 CNC(=O)Nc1ccccc1OC 2430a_100000210025_100102657272 [1,0,0,0,0,1|2,0,0]=4 2770 B13R1.91 CNC(=O)Nc1ccccc1SC 2430a_100000211160_100102657272 [1,0,0,0,0,1|2,0,0]=4 2771 B13R1.91 CNC(=O)Nc1ccccc1SC 512a_100000211160_100102657272 [1,0,0,0,0,1|2,0,0]=4 2772 B13R1.91 CNc1ccccc1SC(C)OC 62a_100009879195_100020606079 [1,0,0,0,0,1|1,0,1]=4 2773 B13R1.91 CNc1ccccc1SC(C)OC 62a_100020606079_100009879195 [1,0,0,0,0,1|1,0,1]=4 2774 B13R1.91 COC(=O)Cc1ccccc1OC 7a_100000758901_200000210301 [1,0,0,0,0,1|1,0,0]=3 2775 B13R1.91 COC(=O)Cc1ccccc1O[13CH3] 7a_100000758901_200025704644 [1,0,0,0,0,1|1,0,0]=3 2776 B13R1.91 COC(=O)Cc1ccccc1SC 62a_100000699816_200000210301 [1,0,0,0,0,1|1,0,0]=3 2777 B13R1.91 COC(=O)Cc1ccccc1SC 62a_200000210301_100000699816 [1,0,0,0,0,1|1,0,0]=3 2778 B13R1.91 COC(=O)Cc1ccccc1S[13CH3] 62a_100000699816_200025704644 [1,0,0,0,0,1|1,0,0]=3 2779 B13R1.91 COC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100000699816 [1,0,0,0,0,1|1,0,0]=3 2780 B13R1.91 COC(=O)Cc1cccnc1SC 62a_100010293180_200000210301 [1,0,0,0,0,1|2,0,0]=4 2781 B13R1.91 COC(=O)Cc1cccnc1SC 62a_200000210301_100010293180 [1,0,0,0,0,1|2,0,0]=4 2782 B13R1.91 COC(=O)Cc1cccnc1S[13CH3] 62a_100010293180_200025704644 [1,0,0,0,0,1|2,0,0]=4 2783 B13R1.91 COC(=O)Cc1cccnc1S[13CH3] 62a_200025704644_100010293180 [1,0,0,0,0,1|2,0,0]=4 2784 B13R1.91 COC(=O)Cc1ncccc1SC 62a_100012347948_200000210301 [1,0,0,0,0,1|2,0,0]=4 2785 B13R1.91 COC(=O)Cc1ncccc1SC 62a_200000210301_100012347948 [1,0,0,0,0,1|2,0,0]=4 2786 B13R1.91 COC(=O)Cc1ncccc1S[13CH3] 62a_100012347948_200025704644 [1,0,0,0,0,1|2,0,0]=4 2787 B13R1.91 COC(=O)Cc1ncccc1S[13CH3] 62a_200025704644_100012347948 [1,0,0,0,0,1|2,0,0]=4 2788 B13R1.91 COC(=O)Nc1ccccc1SC 62a_200000210301_100000216184 [1,0,0,0,0,1|1,0,0]=3 2789 B13R1.91 COC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000216184 [1,0,0,0,0,1|1,0,0]=3 2790 B13R1.380 C/C=C/c1ccccc1OC(C)C 34a_200000189419_100000210206 [1,0,0,0,0,1|2,0,0]=4 2791 B13R1.380 C/C=C/c1ccccc1OC(C)C 7a_200000189419_100000210206 [1,0,0,0,0,1|2,0,0]=4 2792 B13R1.380 C=C=Cc1ccccc1CN(C)C 271570a_100015277604_100000174758 [1,0,0,0,0,1|1,0,1]=4 2793 B13R1.380 CC(C)Oc1ccccc1CO[13CH3] 34a_100000708705_200025704644 [1,0,0,0,0,1|1,0,1]=4 2794 B13R1.380 CC(C)Oc1ccccc1CO[13CH3] 7a_100000708705_200025704644 [1,0,0,0,0,1|1,0,1]=4 2795 B13R1.380 CC=Cc1ccccc1CN(C)C 271570a_100016259895_100000174758 [1,0,0,0,0,1|1,0,0]=3 2796 B13R1.380 CC=Cc1ccccc1NC(C)C 271570a_100016259895_100000219599 [1,0,0,0,0,1|2,0,0]=4 2797 B13R1.380 CC=Cc1ccccc1OC(C)C 271570a_100016259895_100000173919 [1,0,0,0,0,1|2,0,0]=4 2798 B13R1.380 CCOc1ccccc1CN(C)C 2230a_100000742257_200000210301 [1,0,0,0,0,1|2,0,0]=4 2799 B13R1.380 CCOc1ccccc1CN(C)C 269982a_100000742257_200000210301 [1,0,0,0,0,1|2,0,0]=4 2800 B13R1.380 CCOc1ccccc1CN(C)C 270004a_100102631434_100000169843 [1,0,0,0,0,1|2,0,0]=4 2801 B13R1.380 CCOc1ccccc1CN(C)[13CH3] 2230a_100000742257_200025704644 [1,0,0,0,0,1|2,0,0]=4 2802 B13R1.380 CCOc1ccccc1CN(C)[13CH3] 269982a_100000742257_200025704644 [1,0,0,0,0,1|2,0,0]=4 2803 B13R1.380 CCSc1ccccc1CN(C)C 62a_100000174758_100000210202 [1,0,0,0,0,1|2,0,0]=4 2804 B13R1.380 CCSc1ccccc1CN(C)C 62a_100000210202_100000174758 [1,0,0,0,0,1|2,0,0]=4 2805 B13R1.380 COCc1ccccc1C=C(C)C 271570a_100102525489_100011493684 [1,0,0,0,0,1|1,0,1]=4 2806 B13R1.380 COCc1ccccc1OC(C)C 34a_100000708705_200000210301 [1,0,0,0,0,1|1,0,1]=4 2807 B13R1.380 COCc1ccccc1OC(C)C 34a_100011488565_100000210206 [1,0,0,0,0,1|1,0,1]=4 2808 B13R1.380 COCc1ccccc1OC(C)C 7a_100000708705_200000210301 [1,0,0,0,0,1|1,0,1]=4 2809 B13R1.380 COCc1ccccc1OC(C)C 7a_100011488565_100000210206 [1,0,0,0,0,1|1,0,1]=4 2810 B13R1.380 COCc1ccccc1SC(C)C 62a_100000210206_100011493684 [1,0,0,0,0,1|1,0,1]=4 2811 B13R1.380 COCc1ccccc1SC(C)C 62a_100011493684_100000210206 [1,0,0,0,0,1|1,0,1]=4 2812 B13R1.543 C=C(C)c1cccc(c1)C(=O)OC 271570a_100000694244_100000148679 [0,0,0,0,1,1|1,0,1]=4 2813 B13R1.543 C=C(C)c1cccc(n1)C(=O)OC 271570a_100000694244_100000708286 [0,0,0,0,1,1|1,0,1]=4 2814 B13R1.543 CCC(=O)c1cccc(c1)C(C)C 1458a_100011934808_100000210202 [0,0,0,0,1,1|2,0,0]=4 2815 B13R1.543 CCC(=O)c1cccc(c1)N(C)C 1458a_100000210872_100000210202 [0,0,0,0,1,1|1,0,0]=3 2816 B13R1.543 CN(C)c1cccc(c1)C(=O)CF 1458a_100000210872_100015361967 [0,0,0,0,1,1|2,0,0]=4 2817 B13R1.543 CNC(=O)c1cc(ccn1)N(C)C 27a_100102631434_100000204654 [0,0,0,0,1,1|2,0,0]=4 2818 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 11a_106832991635_100011934808 [0,0,0,0,1,1|2,0,0]=4 2819 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 1626a_100102657272_100011934808 [0,0,0,0,1,1|2,0,0]=4 2820 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 240690a_100102657272_100011934808 [0,0,0,0,1,1|2,0,0]=4 2821 B13R1.543 CNC(=O)c1cccc(c1)C(C)C 527a_100102657272_100011934808 [0,0,0,0,1,1|2,0,0]=4 2822 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 11a_106832991635_100000210872 [0,0,0,0,1,1|1,0,0]=3 2823 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 1626a_100102657272_100000210872 [0,0,0,0,1,1|1,0,0]=3 2824 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 240690a_100102657272_100000210872 [0,0,0,0,1,1|1,0,0]=3 2825 B13R1.543 CNC(=O)c1cccc(c1)N(C)C 527a_100102657272_100000210872 [0,0,0,0,1,1|1,0,0]=3 2826 B13R1.543 CNC(=O)c1cccc(n1)N(C)C 27a_100102631434_100000755456 [0,0,0,0,1,1|1,0,0]=3 2827 B13R1.543 CNC(=O)c1cncc(c1)N(C)C 27a_100102631434_200000155086 [0,0,0,0,1,1|2,0,0]=4 2828 B13R1.543 COC(=O)c1cc(ncn1)N(C)C 27a_100102631434_100000051410 [0,0,0,0,1,1|2,0,0]=4 2829 B13R1.543 COC(=O)c1cccc(c1)C(=O)C 1458a_100000035267_200000210301 [0,0,0,0,1,1|2,0,0]=4 2830 B13R1.543 COC(=O)c1cccc(c1)C(=O)[13CH3] 1458a_100000035267_200025704644 [0,0,0,0,1,1|2,0,0]=4 2831 B13R1.543 COC(=O)c1cccc(n1)N(C)C 27a_100102631434_100000708286 [0,0,0,0,1,1|0,0,0]=2 2832 B13R1.543 COC(=O)c1ccnc(n1)N(C)C 27a_100102631434_100000070389 [0,0,0,0,1,1|1,0,0]=3 2833 B13R1.543 COC(=O)c1cncc(n1)N(C)C 27a_100102631434_100000765340 [0,0,0,0,1,1|1,0,0]=3 2834 B13R1.543 COC(=O)c1cnnc(c1)N(C)C 27a_100102631434_100009862058 [0,0,0,0,1,1|2,0,0]=4 2835 B15R1.985 C=C(C)COc1ccccc1C(=O)OC 7a_100000150335_100000748629 [0,0,0,0,0,2|1,0,1]=4 2836 B15R1.985 C=C(C)CSc1ccccc1C(=O)OC 62a_100000148710_100000211660 [0,0,0,0,0,2|1,0,1]=4 2837 B15R1.985 C=C(C)CSc1ccccc1C(=O)OC 62a_100000748629_100000148710 [0,0,0,0,0,2|1,0,1]=4 2838 B15R1.985 CC(C)CSc1ccccc1C(=O)O[Na] 62a_100000210624_114855342371 [0,0,0,0,0,2|2,0,0]=4 2839 B15R1.985 CCC(=O)c1ccccc1N=NN(C)C 1458a_100000124269_100000210202 [0,0,0,0,0,2|1,0,0]=3 2840 B15R1.985 CCC(=O)c1ccccc1OCC(C)C 7a_100000184720_100000210760 [0,0,0,0,0,2|2,0,0]=4 2841 B15R1.985 CCC(=O)c1ccccc1SCC(C)C 1458a_200000217235_100000210202 [0,0,0,0,0,2|2,0,0]=4 2842 B15R1.985 CN(C)N=Nc1ccccc1C(=O)CF 1458a_100000124269_100015361967 [0,0,0,0,0,2|2,0,0]=4 2843 B15R1.985 CNC(=O)c1ccccc1C=CC(C)C 271570a_100016257149_100000155073 [0,0,0,0,0,2|2,0,0]=4 2844 B15R1.985 CNC(=O)c1ccccc1COC(C)C 34a_100009855793_100000210206 [0,0,0,0,0,2|2,0,0]=4 2845 B15R1.985 CNC(=O)c1ccccc1COC(C)C 7a_100009855793_100000210206 [0,0,0,0,0,2|2,0,0]=4 2846 B15R1.985 CNC(=O)c1ccccc1N=NN(C)C 11a_106832991635_100000124269 [0,0,0,0,0,2|1,0,0]=3 2847 B15R1.985 CNC(=O)c1ccccc1N=NN(C)C 240690a_100102657272_100000124269 [0,0,0,0,0,2|1,0,0]=3 2848 B15R1.985 CNC(=O)c1ccccc1N=NN(C)C 527a_100102657272_100000124269 [0,0,0,0,0,2|1,0,0]=3 2849 B15R1.985 CNC(=O)c1ccccc1NCC(C)C 27a_100000210953_100000155073 [0,0,0,0,0,2|2,0,0]=4 2850 B15R1.985 CNC(=O)c1ccccc1NCC(C)C 34a_100000185696_100000210624 [0,0,0,0,0,2|2,0,0]=4 2851 B15R1.985 CNC(=O)c1ccccc1OCC(C)C 34a_100000185920_100000210624 [0,0,0,0,0,2|2,0,0]=4 2852 B15R1.985 CNC(=O)c1ccccc1OCC(C)C 7a_100000185920_100000210760 [0,0,0,0,0,2|2,0,0]=4 2853 B15R1.985 CNC(=O)c1ccccc1SCC(C)C 11a_106832991635_200000217235 [0,0,0,0,0,2|2,0,0]=4 2854 B15R1.985 CNC(=O)c1ccccc1SCC(C)C 1626a_100102657272_200000217235 [0,0,0,0,0,2|2,0,0]=4 2855 B15R1.985 CNC(=O)c1ccccc1SCC(C)C 240690a_100102657272_200000217235 [0,0,0,0,0,2|2,0,0]=4 2856 B15R1.985 CNC(=O)c1ccccc1SCC(C)C 527a_100102657272_200000217235 [0,0,0,0,0,2|2,0,0]=4 2857 B15R1.985 CNC(=O)c1ccccc1SCC(C)C 62a_100000155073_100000210760 [0,0,0,0,0,2|2,0,0]=4 2858 B15R1.985 CNC(=O)c1ccccc1SCC(C)C 62a_100000210624_100000155073 [0,0,0,0,0,2|2,0,0]=4 2859 B15R1.985 COC(=O)c1ccccc1C=CC(C)C 271570a_100016257149_100000148710 [0,0,0,0,0,2|1,0,0]=3 2860 B15R1.985 COC(=O)c1ccccc1C=CC(C)O 271570a_200011019289_100000148710 [0,0,0,0,0,2|2,0,0]=4 2861 B15R1.985 COC(=O)c1ccccc1CCC(=O)C 1458a_100000070787_200010284099 [0,0,0,0,0,2|2,0,0]=4 2862 B15R1.985 COC(=O)c1ccccc1CCC(=O)C 1458a_100000694103_200000210301 [0,0,0,0,0,2|2,0,0]=4 2863 B15R1.985 COC(=O)c1ccccc1CCC(=O)[13CH3] 1458a_100000694103_200025704644 [0,0,0,0,0,2|2,0,0]=4 2864 B15R1.985 COC(=O)c1ccccc1CCN(C)C 2230a_100102631434_200010284099 [0,0,0,0,0,2|0,0,0]=2 2865 B15R1.985 COC(=O)c1ccccc1CCN(C)C 269982a_100102631434_200010284099 [0,0,0,0,0,2|0,0,0]=2 2866 B15R1.985 COC(=O)c1ccccc1CNC(=O)C 188690a_100000726750_100015343762 [0,0,0,0,0,2|2,0,0]=4 2867 B15R1.985 COC(=O)c1ccccc1CNC(C)C 2230a_100138425928_100000744672 [0,0,0,0,0,2|1,0,0]=3 2868 B15R1.985 COC(=O)c1ccccc1CNC(C)C 34a_100138425928_100000744672 [0,0,0,0,0,2|1,0,0]=3 2869 B15R1.985 COC(=O)c1ccccc1COC(C)C 34a_100000212225_100000744672 [0,0,0,0,0,2|1,0,0]=3 2870 B15R1.985 COC(=O)c1ccccc1CSC(C)C 62a_100000210206_100000744672 [0,0,0,0,0,2|1,0,0]=3 2871 B15R1.985 COC(=O)c1ccccc1CSC(C)C 62a_100000744672_100000210206 [0,0,0,0,0,2|1,0,0]=3 2872 B15R1.985 COC(=O)c1ccccc1OCC(C)C 7a_100000150335_100000210760 [0,0,0,0,0,2|1,0,0]=3 2873 B15R1.985 COC(=O)c1ccccc1OCC(C)O 7a_100000150335_100011218427 [0,0,0,0,0,2|2,0,0]=4 2874 B15R1.985 COC(=O)c1ccccc1OC[C@@H](C)O 7a_100000150335_100009817552 [0,0,0,0,0,2|2,0,0]=4 2875 B15R1.985 COC(=O)c1ccccc1SCC(C)C 62a_100000148710_100000210760 [0,0,0,0,0,2|1,0,0]=3 2876 B15R1.985 COC(=O)c1ccccc1SCC(C)C 62a_100000210624_100000148710 [0,0,0,0,0,2|1,0,0]=3 2877 B15R1.985 COC(=O)c1ccccc1SCC(C)O 62a_100000148710_100011218427 [0,0,0,0,0,2|2,0,0]=4 2878 B15R1.985 COC(=O)c1ccccc1SCC(C)O 62a_100011218427_100000148710 [0,0,0,0,0,2|2,0,0]=4 2879 B15R1.985 COC(=O)c1ccccc1SC[C@@H](C)O 62a_100000148710_100009817552 [0,0,0,0,0,2|2,0,0]=4 2880 B15R1.985 COC(=O)c1ccccc1SC[C@@H](C)O 62a_100009817552_100000148710 [0,0,0,0,0,2|2,0,0]=4 2881 B15R1.985 COC(=O)c1cccnc1C=CC(C)C 271570a_100016257149_100000150852 [0,0,0,0,0,2|2,0,0]=4 2882 B15R1.985 COC(=O)c1cccnc1CNC(C)C 2230a_100138425928_100000709840 [0,0,0,0,0,2|2,0,0]=4 2883 B15R1.985 COC(=O)c1cccnc1CNC(C)C 34a_100138425928_100012347567 [0,0,0,0,0,2|2,0,0]=4 2884 B15R1.985 COC(=O)c1cccnc1COC(C)C 34a_100000212225_100012347567 [0,0,0,0,0,2|2,0,0]=4 2885 B15R1.985 COC(=O)c1cccnc1CSC(C)C 62a_100000210206_100000709840 [0,0,0,0,0,2|2,0,0]=4 2886 B15R1.985 COC(=O)c1cccnc1CSC(C)C 62a_100000709840_100000210206 [0,0,0,0,0,2|2,0,0]=4 2887 B15R1.985 COC(=O)c1cccnc1NCC(C)C 27a_100000210953_100000150852 [0,0,0,0,0,2|2,0,0]=4 2888 B15R1.985 COC(=O)c1cccnc1SCC(C)C 62a_100000210624_100000150852 [0,0,0,0,0,2|2,0,0]=4 2889 B15R1.985 COC(=O)c1cccnc1SCC(C)C 62a_100011587185_100000210760 [0,0,0,0,0,2|2,0,0]=4 2890 B15R1.985 COC(=O)c1ccncc1C=CC(C)C 271570a_100016257149_100010008606 [0,0,0,0,0,2|2,0,0]=4 2891 B15R1.985 COC(=O)c1ccncc1SCC(C)C 62a_100000210624_100010008606 [0,0,0,0,0,2|2,0,0]=4 2892 B15R1.985 COC(=O)c1ccncc1SCC(C)C 62a_100010008606_100000210760 [0,0,0,0,0,2|2,0,0]=4 2893 B15R1.985 COC(=O)c1cnccc1C=CC(C)C 271570a_100016257149_100020629055 [0,0,0,0,0,2|2,0,0]=4 2894 B15R1.985 COC(=O)c1cnccc1SCC(C)C 62a_100000210624_100020629055 [0,0,0,0,0,2|2,0,0]=4 2895 B15R1.985 COC(=O)c1cnccc1SCC(C)C 62a_100020629055_100000210760 [0,0,0,0,0,2|2,0,0]=4 2896 B15R1.985 COC(=O)c1ncccc1C=CC(C)C 271570a_100016257149_100011935214 [0,0,0,0,0,2|2,0,0]=4 2897 B15R1.985 COC(=O)c1ncccc1CNC(C)C 2230a_100138425928_100010177730 [0,0,0,0,0,2|2,0,0]=4 2898 B15R1.985 COC(=O)c1ncccc1CNC(C)C 34a_100138425928_100010177730 [0,0,0,0,0,2|2,0,0]=4 2899 B15R1.985 COC(=O)c1ncccc1COC(C)C 34a_100000212225_100010177730 [0,0,0,0,0,2|2,0,0]=4 2900 B15R1.985 COC(=O)c1ncccc1CSC(C)C 62a_100000210206_100010177730 [0,0,0,0,0,2|2,0,0]=4 2901 B15R1.985 COC(=O)c1ncccc1CSC(C)C 62a_100010177730_100000210206 [0,0,0,0,0,2|2,0,0]=4 2902 B15R1.985 COC(=O)c1ncccc1OCC(C)C 34a_100000744052_100000210624 [0,0,0,0,0,2|2,0,0]=4 2903 B15R1.985 COC(=O)c1ncccc1OCC(C)C 7a_100000744052_100000210760 [0,0,0,0,0,2|2,0,0]=4 2904 B15R1.985 COC(=O)c1ncccc1SCC(C)C 62a_100000210624_100011935214 [0,0,0,0,0,2|2,0,0]=4 2905 B15R1.985 COC(=O)c1ncccc1SCC(C)C 62a_100011935214_100000210760 [0,0,0,0,0,2|2,0,0]=4 2906 B15R1.3845 C=CC(=O)Nc1ccccc1CN(C)C 22a_100015196887_100000185746 [0,0,0,0,0,2|1,0,1]=4 2907 B15R1.3845 CCC(=O)Nc1ccccc1C=C(C)C 271570a_100102525489_100000153536 [0,0,0,0,0,2|2,0,0]=4 2908 B15R1.3845 CCC(=O)Nc1ccccc1CN(C)C 11a_100015196887_100000210414 [0,0,0,0,0,2|1,0,0]=3 2909 B15R1.3845 CCC(=O)Nc1ccccc1CN(C)C 22a_100015196887_100000210414 [0,0,0,0,0,2|1,0,0]=3 2910 B15R1.3845 CCC(=O)Nc1ccccc1CN(C)C 527a_100015196887_100000210414 [0,0,0,0,0,2|1,0,0]=3 2911 B15R1.3845 CCC(=O)Nc1ccccc1OC(C)C 11a_100000739276_100000210414 [0,0,0,0,0,2|2,0,0]=4 2912 B15R1.3845 CCC(=O)Nc1ccccc1OC(C)C 1626a_100000739276_100000210414 [0,0,0,0,0,2|2,0,0]=4 2913 B15R1.3845 CCC(=O)Nc1ccccc1OC(C)C 22a_100000739276_100000210414 [0,0,0,0,0,2|2,0,0]=4 2914 B15R1.3845 CCC(=O)Nc1ccccc1OC(C)C 527a_100000739276_100000210414 [0,0,0,0,0,2|2,0,0]=4 2915 B15R1.3845 CCC(=O)Nc1ccccc1SC(C)C 11a_100000688217_100000210414 [0,0,0,0,0,2|2,0,0]=4 2916 B15R1.3845 CCC(=O)Nc1ccccc1SC(C)C 1626a_100000688217_100000210414 [0,0,0,0,0,2|2,0,0]=4 2917 B15R1.3845 CCC(=O)Nc1ccccc1SC(C)C 22a_100000688217_100000210414 [0,0,0,0,0,2|2,0,0]=4 2918 B15R1.3845 CCC(=O)Nc1ccccc1SC(C)C 62a_100000210206_100000153536 [0,0,0,0,0,2|2,0,0]=4 2919 B15R1.3845 CN(C)Cc1ccccc1NC(=O)CO 22a_100015196887_100000210174 [0,0,0,0,0,2|2,0,0]=4 2920 B15R1.3845 CN(C)Cc1ccccc1NC(=O)CO 527a_100015196887_100000210174 [0,0,0,0,0,2|2,0,0]=4 2921 B15R1.3845 CNC(=O)Cc1ccccc1C=C(C)C 271570a_100102525489_200009816160 [0,0,0,0,0,2|2,0,0]=4 2922 B15R1.3845 CNC(=O)Cc1ccccc1NC(C)C 2230a_100000738506_100000210206 [0,0,0,0,0,2|2,0,0]=4 2923 B15R1.3845 CNC(=O)Cc1ccccc1NC(C)C 34a_100000738506_100000210206 [0,0,0,0,0,2|2,0,0]=4 2924 B15R1.3845 CNC(=O)Cc1ccccc1SC(C)C 62a_100000210206_200009816160 [0,0,0,0,0,2|2,0,0]=4 2925 B15R1.3845 CNC(=O)Cc1ccccc1SC(C)C 62a_200009816160_100000210206 [0,0,0,0,0,2|2,0,0]=4 2926 B15R1.3845 CNC(=O)Nc1ccccc1OC(C)C 2430a_100000739276_100102657272 [0,0,0,0,0,2|2,0,0]=4 2927 B15R1.3845 CNC(=O)Nc1ccccc1SC(C)C 2430a_100000688217_100102657272 [0,0,0,0,0,2|2,0,0]=4 2928 B15R1.3845 CNC(=O)Nc1ccccc1SC(C)C 512a_100000688217_100102657272 [0,0,0,0,0,2|2,0,0]=4 2929 B15R1.3845 COC(=O)Cc1ccccc1C=C(C)C 271570a_100102525489_100000699816 [0,0,0,0,0,2|1,0,0]=3 2930 B15R1.3845 COC(=O)Cc1ccccc1CC(=O)C 1458a_100000070787_100000094086 [0,0,0,0,0,2|2,0,0]=4 2931 B15R1.3845 COC(=O)Cc1ccccc1CN(C)C 2230a_100102631434_100000094086 [0,0,0,0,0,2|0,0,0]=2 2932 B15R1.3845 COC(=O)Cc1ccccc1CN(C)C 269982a_100102631434_100000094086 [0,0,0,0,0,2|0,0,0]=2 2933 B15R1.3845 COC(=O)Cc1ccccc1NC(=O)C 188690a_100000766173_100015343762 [0,0,0,0,0,2|2,0,0]=4 2934 B15R1.3845 COC(=O)Cc1ccccc1OC(C)C 7a_100000758901_100000210206 [0,0,0,0,0,2|1,0,0]=3 2935 B15R1.3845 COC(=O)Cc1ccccc1SC(C)C 62a_100000210206_100000699816 [0,0,0,0,0,2|1,0,0]=3 2936 B15R1.3845 COC(=O)Cc1ccccc1SC(C)C 62a_100000699816_100000210206 [0,0,0,0,0,2|1,0,0]=3 2937 B15R1.3845 COC(=O)Cc1cccnc1C=C(C)C 271570a_100102525489_100010293180 [0,0,0,0,0,2|2,0,0]=4 2938 B15R1.3845 COC(=O)Cc1cccnc1SC(C)C 62a_100000210206_100010293180 [0,0,0,0,0,2|2,0,0]=4 2939 B15R1.3845 COC(=O)Cc1cccnc1SC(C)C 62a_100010293180_100000210206 [0,0,0,0,0,2|2,0,0]=4 2940 B15R1.3845 COC(=O)Cc1ncccc1C=C(C)C 271570a_100102525489_100012347948 [0,0,0,0,0,2|2,0,0]=4 2941 B15R1.3845 COC(=O)Cc1ncccc1SC(C)C 62a_100000210206_100012347948 [0,0,0,0,0,2|2,0,0]=4 2942 B15R1.3845 COC(=O)Cc1ncccc1SC(C)C 62a_100012347948_100000210206 [0,0,0,0,0,2|2,0,0]=4 2943 B15R1.3845 COC(=O)Nc1ccccc1C=C(C)C 271570a_100102525489_100000216184 [0,0,0,0,0,2|1,0,0]=3 2944 B15R1.3845 COC(=O)Nc1ccccc1SC(C)C 62a_100000210206_100000216184 [0,0,0,0,0,2|1,0,0]=3 2945 B15R1.3845 COC(C)Sc1ccccc1CN(C)C 62a_100000174758_100009879195 [0,0,0,0,0,2|1,0,1]=4 2946 B15R1.3845 COC(C)Sc1ccccc1CN(C)C 62a_100009879195_100000174758 [0,0,0,0,0,2|1,0,1]=4 2947 B15R1.1108 C=C(C)c1ccccc1/C=C/C(=O)OC 271570a_100000694244_100000151022 [0,0,0,0,0,2|1,0,1]=4 2948 B15R1.1108 C=C(C)c1ccccc1CCC(=O)OC 271570a_100000694244_100009815308 [0,0,0,0,0,2|1,0,1]=4 2949 B15R1.1108 C=C(C)c1ccccc1NCC(=O)OC 34a_100000037685_100000747449 [0,0,0,0,0,2|1,0,1]=4 2950 B15R1.1108 C=C(C)c1ccccc1OCC(=O)OC 271570a_100000694244_200000173920 [0,0,0,0,0,2|1,0,1]=4 2951 B15R1.1108 C=CC(=O)NCc1ccccc1N(C)C 1626a_100000748089_100000185746 [0,0,0,0,0,2|1,0,1]=4 2952 B15R1.1108 C=CC(=O)NCc1ccccc1N(C)C 240690a_100000748089_200121576911 [0,0,0,0,0,2|1,0,1]=4 2953 B15R1.1108 CCC(=O)CNc1ccccc1C(C)C 7a_100000210643_100000747405 [0,0,0,0,0,2|2,0,0]=4 2954 B15R1.1108 CCC(=O)COc1ccccc1C(C)C 1458a_100000183894_100000210202 [0,0,0,0,0,2|2,0,0]=4 2955 B15R1.1108 CCC(=O)COc1ccccc1C(C)C 7a_100000211617_100000747405 [0,0,0,0,0,2|2,0,0]=4 2956 B15R1.1108 CCC(=O)CSc1ccccc1C(C)C 62a_100000708600_100000747405 [0,0,0,0,0,2|2,0,0]=4 2957 B15R1.1108 CCC(=O)CSc1ccccc1C(C)C 62a_100000747405_100000708600 [0,0,0,0,0,2|2,0,0]=4 2958 B15R1.1108 CCC(=O)CSc1ccccc1N(C)C 62a_100000747405_100011290883 [0,0,0,0,0,2|1,0,0]=3 2959 B15R1.1108 CCC(=O)CSc1ccccc1N(C)C 62a_100011290883_100000747405 [0,0,0,0,0,2|1,0,0]=3 2960 B15R1.1108 CCC(=O)CSc1cccnc1N(C)C 62a_100000747405_100011465059 [0,0,0,0,0,2|2,0,0]=4 2961 B15R1.1108 CCC(=O)CSc1cccnc1N(C)C 62a_100011465059_100000747405 [0,0,0,0,0,2|2,0,0]=4 2962 B15R1.1108 CCC(=O)CSc1cnccc1N(C)C 62a_100000747405_100012355995 [0,0,0,0,0,2|2,0,0]=4 2963 B15R1.1108 CCC(=O)CSc1cnccc1N(C)C 62a_100012355995_100000747405 [0,0,0,0,0,2|2,0,0]=4 2964 B15R1.1108 CCC(=O)NCc1ccccc1N(C)C 11a_100000748089_100000210414 [0,0,0,0,0,2|1,0,0]=3 2965 B15R1.1108 CCC(=O)NCc1ccccc1N(C)C 1626a_100000748089_100000210414 [0,0,0,0,0,2|1,0,0]=3 2966 B15R1.1108 CCC(=O)NCc1ccccc1N(C)C 240690a_100000748089_100000210414 [0,0,0,0,0,2|1,0,0]=3 2967 B15R1.1108 CCC(=O)NNc1ccccc1C(C)C 22a_100020603696_100000210414 [0,0,0,0,0,2|2,0,0]=4 2968 B15R1.1108 CN(C)c1ccccc1CNC(=O)CO 240690a_100000748089_100000210174 [0,0,0,0,0,2|2,0,0]=4 2969 B15R1.1108 CNC(=O)CNc1ccccc1C(C)C 2230a_100000210643_100000183359 [0,0,0,0,0,2|2,0,0]=4 2970 B15R1.1108 CNC(=O)CNc1ccccc1C(C)C 34a_100000210643_100000183359 [0,0,0,0,0,2|2,0,0]=4 2971 B15R1.1108 CNC(=O)CNc1ccccc1C(C)C 7a_100000210643_100000183359 [0,0,0,0,0,2|2,0,0]=4 2972 B15R1.1108 CNC(=O)COc1ccccc1C(C)C 11a_106832991635_100000183894 [0,0,0,0,0,2|2,0,0]=4 2973 B15R1.1108 CNC(=O)COc1ccccc1C(C)C 1626a_100102657272_100000183894 [0,0,0,0,0,2|2,0,0]=4 2974 B15R1.1108 CNC(=O)COc1ccccc1C(C)C 240690a_100102657272_100000183894 [0,0,0,0,0,2|2,0,0]=4 2975 B15R1.1108 CNC(=O)COc1ccccc1C(C)C 34a_100000211617_100000183359 [0,0,0,0,0,2|2,0,0]=4 2976 B15R1.1108 CNC(=O)COc1ccccc1C(C)C 527a_100102657272_100000183894 [0,0,0,0,0,2|2,0,0]=4 2977 B15R1.1108 CNC(=O)COc1ccccc1C(C)C 7a_100000211617_100000183359 [0,0,0,0,0,2|2,0,0]=4 2978 B15R1.1108 CNC(=O)CSc1ccccc1C(C)C 62a_100000183359_100000708600 [0,0,0,0,0,2|2,0,0]=4 2979 B15R1.1108 CNC(=O)CSc1ccccc1C(C)C 62a_100000708600_100000183359 [0,0,0,0,0,2|2,0,0]=4 2980 B15R1.1108 CNC(=O)CSc1ccccc1N(C)C 62a_100000183359_100011290883 [0,0,0,0,0,2|1,0,0]=3 2981 B15R1.1108 CNC(=O)CSc1ccccc1N(C)C 62a_100011290883_100000183359 [0,0,0,0,0,2|1,0,0]=3 2982 B15R1.1108 CNC(=O)CSc1cccnc1N(C)C 62a_100000183359_100011465059 [0,0,0,0,0,2|2,0,0]=4 2983 B15R1.1108 CNC(=O)CSc1cccnc1N(C)C 62a_100011465059_100000183359 [0,0,0,0,0,2|2,0,0]=4 2984 B15R1.1108 CNC(=O)CSc1cnccc1N(C)C 62a_100000183359_100012355995 [0,0,0,0,0,2|2,0,0]=4 2985 B15R1.1108 CNC(=O)CSc1cnccc1N(C)C 62a_100012355995_100000183359 [0,0,0,0,0,2|2,0,0]=4 2986 B15R1.1108 CNC(=O)NCc1ccccc1N(C)C 2708a_100000748089_106832991635 [0,0,0,0,0,2|1,0,0]=3 2987 B15R1.1108 CNC(=O)NCc1ccccc1N(C)C 2708a_100102657272_100000748089 [0,0,0,0,0,2|1,0,0]=3 2988 B15R1.1108 CNC(=O)NCc1ccccc1N(C)C 273464a_100000748089_100102657272 [0,0,0,0,0,2|1,0,0]=3 2989 B15R1.1108 CNC(=O)NCc1ccccc1N(C)C 273464a_100102657272_100000748089 [0,0,0,0,0,2|1,0,0]=3 2990 B15R1.1108 CNC(=O)NCc1ccccc1N(C)C 512a_100000748089_100102657272 [0,0,0,0,0,2|1,0,0]=3 2991 B15R1.1108 CNC(=O)NCc1ccccc1N(C)C 512a_106832991638_100000748089 [0,0,0,0,0,2|1,0,0]=3 2992 B15R1.1108 CNC(=O)NNc1ccccc1C(C)C 273464a_100102657272_100020603696 [0,0,0,0,0,2|2,0,0]=4 2993 B15R1.1108 CNC(=O)NNc1ccccc1C(C)C 512a_106832991638_100020603696 [0,0,0,0,0,2|2,0,0]=4 2994 B15R1.1108 COC(=O)CNc1ccccc1C(C)C 2230a_100000210643_100000747449 [0,0,0,0,0,2|1,0,0]=3 2995 B15R1.1108 COC(=O)CNc1ccccc1C(C)C 34a_100000210643_100000747449 [0,0,0,0,0,2|1,0,0]=3 2996 B15R1.1108 COC(=O)CNc1ccccc1C(C)C 7a_100000210643_100000747449 [0,0,0,0,0,2|1,0,0]=3 2997 B15R1.1108 COC(=O)CNc1ccccc1C(C)O 2230a_100011405641_100000747449 [0,0,0,0,0,2|2,0,0]=4 2998 B15R1.1108 COC(=O)COc1ccccc1C(C)C 34a_100000211617_100000747449 [0,0,0,0,0,2|1,0,0]=3 2999 B15R1.1108 COC(=O)COc1ccccc1C(C)C 7a_100000211617_100000747449 [0,0,0,0,0,2|1,0,0]=3 3000 B15R1.1108 COC(=O)COc1ccccc1C(C)O 34a_200011232679_100000747449 [0,0,0,0,0,2|2,0,0]=4 3001 B15R1.1108 COC(=O)COc1ccccc1C(C)O 7a_200011232679_100000747449 [0,0,0,0,0,2|2,0,0]=4 3002 B15R1.1108 COC(=O)COc1ccccc1[C@@H](C)N 34a_100025703389_100000747449 [0,0,0,0,0,2|2,0,0]=4 3003 B15R1.1108 COC(=O)COc1cccnc1C(C)C 34a_100012183336_100000747449 [0,0,0,0,0,2|2,0,0]=4 3004 B15R1.1108 COC(=O)COc1cccnc1C(C)C 7a_100012183336_100000747449 [0,0,0,0,0,2|2,0,0]=4 3005 B15R1.1108 COC(=O)CSc1ccccc1C(=O)C 62a_100000751169_100000747449 [0,0,0,0,0,2|2,0,0]=4 3006 B15R1.1108 COC(=O)CSc1ccccc1C(C)C 62a_100000708600_100000747449 [0,0,0,0,0,2|1,0,0]=3 3007 B15R1.1108 COC(=O)CSc1ccccc1C(C)C 62a_100000747449_100000708600 [0,0,0,0,0,2|1,0,0]=3 3008 B15R1.1108 COC(=O)CSc1ccccc1C(C)N 62a_100000181357_100000747449 [0,0,0,0,0,2|2,0,0]=4 3009 B15R1.1108 COC(=O)CSc1ccccc1C(C)N 62a_100000747449_100000181357 [0,0,0,0,0,2|2,0,0]=4 3010 B15R1.1108 COC(=O)CSc1ccccc1C(C)O 62a_100000702211_100000747449 [0,0,0,0,0,2|2,0,0]=4 3011 B15R1.1108 COC(=O)CSc1ccccc1C(C)O 62a_100000747449_100000702211 [0,0,0,0,0,2|2,0,0]=4 3012 B15R1.1108 COC(=O)CSc1ccccc1N(C)C 62a_100000747449_100011290883 [0,0,0,0,0,2|0,0,0]=2 3013 B15R1.1108 COC(=O)CSc1ccccc1N(C)C 62a_100011290883_100000747449 [0,0,0,0,0,2|0,0,0]=2 3014 B15R1.1108 COC(=O)CSc1ccccc1S(=O)C 62a_100000734199_100000747449 [0,0,0,0,0,2|2,0,0]=4 3015 B15R1.1108 COC(=O)CSc1cccnc1N(C)C 62a_100000747449_100011465059 [0,0,0,0,0,2|1,0,0]=3 3016 B15R1.1108 COC(=O)CSc1cccnc1N(C)C 62a_100011465059_100000747449 [0,0,0,0,0,2|1,0,0]=3 3017 B15R1.1108 COC(=O)CSc1cnccc1N(C)C 62a_100000747449_100012355995 [0,0,0,0,0,2|1,0,0]=3 3018 B15R1.1108 COC(=O)CSc1cnccc1N(C)C 62a_100012355995_100000747449 [0,0,0,0,0,2|1,0,0]=3 3019 B15R1.1108 COC(=O)CSc1ncccc1C(C)C 62a_100000747449_200010382935 [0,0,0,0,0,2|2,0,0]=4 3020 B15R1.1108 COC(=O)CSc1ncccc1C(C)C 62a_200010382935_100000747449 [0,0,0,0,0,2|2,0,0]=4 3021 B15R1.1108 COC(=O)CSc1nccnc1N(C)C 62a_100000747449_100000703087 [0,0,0,0,0,2|2,0,0]=4