0 B12R1.77 C#Cc1ccccc1C(=O)CC 1458a_100011243808_100000210202 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.77 C#Cc1ccccc1C(=O)CF 1458a_100011243808_100015361967 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.77 C#Cc1ccccc1C(=O)NC 527a_100102657272_100011243808 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.77 C=Cc1ccccc1C(=O)CF 1458a_100011830265_100015361967 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.77 C=Cc1ccccc1C(=O)NC 1626a_100102657272_100011830265 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.77 C=Cc1ccccc1C(=O)NC 271570a_100011290941_100000155073 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.77 C=Cc1ccccc1C(=O)NN 271570a_100011290941_100000190081 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [0,0,0,0,0,0|1,0,1]=2 9 B12R1.77 C=Cc1cccnc1C(=O)OC 271570a_100011290941_100011935214 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.77 C=Cc1ccncc1C(=O)OC 271570a_100011290941_100020629055 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.77 C=Cc1cnccc1C(=O)OC 271570a_100011290941_100010008606 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.77 C=Cc1cncnc1C(=O)OC 271570a_100011290941_100012360100 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.77 C=Cc1ncccc1C(=O)NC 271570a_100011290941_100000159833 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.77 C=Cc1ncccc1C(=O)OC 271570a_100011290941_100000150852 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.77 C=Cc1nccnc1C(=O)OC 271570a_100011290941_100000688410 [0,0,0,0,0,0|3,0,1]=4 16 B12R1.77 C=Cc1ncncc1C(=O)OC 271570a_100011290941_100000726419 [0,0,0,0,0,0|3,0,1]=4 17 B12R1.77 CC(=NO)c1ccccc1O[13CH3] 34a_100000164216_200025704644 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.77 CCC(=O)c1ccccc1C#N 1458a_100000742908_100000210202 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.77 CCC(=O)c1ccccc1CC 1458a_100000689120_100000210202 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.77 CCC(=O)c1ccccc1CO 1458a_100011301526_100000210202 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.77 CCC(=O)c1ccccc1I=O 1458a_100000032414_100000210202 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.77 CCC(=O)c1ccccc1OC 1458a_100000185835_100000210202 [0,0,0,0,0,0|1,0,0]=1 23 B12R1.77 CCC(=O)c1ccccc1OC 7a_100000184720_200000210301 [0,0,0,0,0,0|1,0,0]=1 24 B12R1.77 CCC(=O)c1ccccc1O[13CH3] 7a_100000184720_200025704644 [0,0,0,0,0,0|1,0,0]=1 25 B12R1.77 CCC(=O)c1ccccc1SC 1458a_100000183967_100000210202 [0,0,0,0,0,0|1,1,0]=2 26 B12R1.77 CCC(C)c1ccccc1NC 2230a_200000211393_200000210301 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.77 CCC(C)c1ccccc1NC 7a_200000211393_200000210301 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.77 CCC(C)c1ccccc1N[13CH3] 2230a_200000211393_200025704644 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.77 CCC(C)c1ccccc1N[13CH3] 7a_200000211393_200025704644 [0,0,0,0,0,0|3,0,1]=4 30 B12R1.77 CCC(C)c1ccccc1OC 7a_100000211618_200000210301 [0,0,0,0,0,0|2,0,1]=3 31 B12R1.77 CCC(C)c1ccccc1O[13CH3] 7a_100000211618_200025704644 [0,0,0,0,0,0|2,0,1]=3 32 B12R1.77 CCN(C)c1ccccc1OC 2230a_100000219746_100000210202 [0,0,0,0,0,0|3,0,0]=3 33 B12R1.77 CCN(C)c1ccccc1OC 2230a_100020603010_200000210301 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.77 CCN(C)c1ccccc1OC 269982a_100000219746_100000204670 [0,0,0,0,0,0|3,0,0]=3 35 B12R1.77 CCN(C)c1ccccc1OC 269982a_100020603010_200000210301 [0,0,0,0,0,0|3,0,0]=3 36 B12R1.77 CCN(C)c1ccccc1OC 34a_100000219746_100000210202 [0,0,0,0,0,0|3,0,0]=3 37 B12R1.77 CCN([13CH3])c1ccccc1OC 2230a_100020603010_200025704644 [0,0,0,0,0,0|3,0,0]=3 38 B12R1.77 CCN([13CH3])c1ccccc1OC 269982a_100020603010_200025704644 [0,0,0,0,0,0|3,0,0]=3 39 B12R1.77 CCc1ccccc1C(=O)CF 1458a_100000689120_100015361967 [0,0,0,0,0,0|3,0,0]=3 40 B12R1.77 CCc1ccccc1C(=O)NC 11a_106832991635_100000689120 [0,0,0,0,0,0|2,0,0]=2 41 B12R1.77 CCc1ccccc1C(=O)NC 1626a_100102657272_100000689120 [0,0,0,0,0,0|2,0,0]=2 42 B12R1.77 CCc1ccccc1C(=O)NC 240690a_100102657272_100000689120 [0,0,0,0,0,0|2,0,0]=2 43 B12R1.77 CCc1ccccc1C(=O)NC 527a_100102657272_100000689120 [0,0,0,0,0,0|2,0,0]=2 44 B12R1.77 CNC(=O)c1ccccc1C#N 11a_106832991635_100000742908 [0,0,0,0,0,0|3,0,0]=3 45 B12R1.77 CNC(=O)c1ccccc1C#N 1626a_100102657272_100000742908 [0,0,0,0,0,0|3,0,0]=3 46 B12R1.77 CNC(=O)c1ccccc1C#N 527a_100102657272_100000742908 [0,0,0,0,0,0|3,0,0]=3 47 B12R1.77 CNC(=O)c1ccccc1I=O 1626a_100102657272_100000032414 [0,0,0,0,0,0|3,0,0]=3 48 B12R1.77 CNC(=O)c1ccccc1I=O 240690a_100102657272_100000032414 [0,0,0,0,0,0|3,0,0]=3 49 B12R1.77 CNC(=O)c1ccccc1I=O 527a_100102657272_100000032414 [0,0,0,0,0,0|3,0,0]=3 50 B12R1.77 CNC(=O)c1ccccc1NC 27a_100102657272_100000155073 [0,0,0,0,0,0|2,0,0]=2 51 B12R1.77 CNC(=O)c1ccccc1NC 34a_100000185696_200000210301 [0,0,0,0,0,0|2,0,0]=2 52 B12R1.77 CNC(=O)c1ccccc1N[13CH3] 34a_100000185696_200025704644 [0,0,0,0,0,0|2,0,0]=2 53 B12R1.77 CNC(=O)c1ccccc1OC 11a_106832991635_100000185835 [0,0,0,0,0,0|1,0,0]=1 54 B12R1.77 CNC(=O)c1ccccc1OC 1626a_100102657272_100000185835 [0,0,0,0,0,0|1,0,0]=1 55 B12R1.77 CNC(=O)c1ccccc1OC 240690a_100102657272_100000185835 [0,0,0,0,0,0|1,0,0]=1 56 B12R1.77 CNC(=O)c1ccccc1OC 34a_100000185920_200000210301 [0,0,0,0,0,0|1,0,0]=1 57 B12R1.77 CNC(=O)c1ccccc1OC 527a_100102657272_100000185835 [0,0,0,0,0,0|1,0,0]=1 58 B12R1.77 CNC(=O)c1ccccc1OC 7a_100000185920_200000210301 [0,0,0,0,0,0|1,0,0]=1 59 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 34a_100000185920_200025704644 [0,0,0,0,0,0|1,0,0]=1 60 B12R1.77 CNC(=O)c1ccccc1O[13CH3] 7a_100000185920_200025704644 [0,0,0,0,0,0|1,0,0]=1 61 B12R1.77 CNC(=O)c1ccccc1SC 11a_106832991635_100000183967 [0,0,0,0,0,0|1,1,0]=2 62 B12R1.77 CNC(=O)c1ccccc1SC 1626a_100102657272_100000183967 [0,0,0,0,0,0|1,1,0]=2 63 B12R1.77 CNC(=O)c1ccccc1SC 240690a_100102657272_100000183967 [0,0,0,0,0,0|1,1,0]=2 64 B12R1.77 CNC(=O)c1ccccc1SC 527a_100102657272_100000183967 [0,0,0,0,0,0|1,1,0]=2 65 B12R1.77 CNC(=O)c1ccccc1SC 62a_100000155073_200000210301 [0,0,0,0,0,0|1,1,0]=2 66 B12R1.77 CNC(=O)c1ccccc1SC 62a_200000210301_100000155073 [0,0,0,0,0,0|1,1,0]=2 67 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_100000155073_200025704644 [0,0,0,0,0,0|1,1,0]=2 68 B12R1.77 CNC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000155073 [0,0,0,0,0,0|1,1,0]=2 69 B12R1.77 CNC(=O)c1cccnc1NC 27a_100102657272_100000159833 [0,0,0,0,0,0|3,0,0]=3 70 B12R1.77 CNC(=O)c1cccnc1SC 62a_100000159833_200000210301 [0,0,0,0,0,0|2,1,0]=3 71 B12R1.77 CNC(=O)c1cccnc1SC 62a_200000210301_100000159833 [0,0,0,0,0,0|2,1,0]=3 72 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_100000159833_200025704644 [0,0,0,0,0,0|2,1,0]=3 73 B12R1.77 CNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000159833 [0,0,0,0,0,0|2,1,0]=3 74 B12R1.77 CNC(=O)c1ncccc1OC 34a_100011376092_200000210301 [0,0,0,0,0,0|2,0,0]=2 75 B12R1.77 CNC(=O)c1ncccc1OC 7a_100011376092_200000210301 [0,0,0,0,0,0|2,0,0]=2 76 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 34a_100011376092_200025704644 [0,0,0,0,0,0|2,0,0]=2 77 B12R1.77 CNC(=O)c1ncccc1O[13CH3] 7a_100011376092_200025704644 [0,0,0,0,0,0|2,0,0]=2 78 B12R1.77 CNC(C)c1ccccc1OC 2230a_100000185323_200000210301 [0,0,0,0,0,0|2,0,1]=3 79 B12R1.77 CNC(C)c1ccccc1OC 269862a_106832991636_100000173324 [0,0,0,0,0,0|2,0,1]=3 80 B12R1.77 CNC(C)c1ccccc1SC 62a_100000692418_200000210301 [0,0,0,0,0,0|2,1,1]=4 81 B12R1.77 CNC(C)c1ccccc1SC 62a_200000210301_100000692418 [0,0,0,0,0,0|2,1,1]=4 82 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_100000692418_200025704644 [0,0,0,0,0,0|2,1,1]=4 83 B12R1.77 CNC(C)c1ccccc1S[13CH3] 62a_200025704644_100000692418 [0,0,0,0,0,0|2,1,1]=4 84 B12R1.77 CNC(C)c1cccnc1OC 269862a_106832991636_100012184464 [0,0,0,0,0,0|3,0,1]=4 85 B12R1.77 CNC(C)c1ncccc1OC 269862a_106832991636_100012185210 [0,0,0,0,0,0|3,0,1]=4 86 B12R1.77 CNc1ncccc1C(=O)OC 27a_100102657272_100000150852 [0,0,0,0,0,0|2,0,0]=2 87 B12R1.77 CNc1nccnc1C(=O)OC 27a_100102657272_100000079898 [0,0,0,0,0,0|3,0,0]=3 88 B12R1.77 CNc1ncncc1C(=O)OC 27a_100102657272_100000726419 [0,0,0,0,0,0|3,0,0]=3 89 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [0,0,0,0,0,0|0,0,0]=0 90 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [0,0,0,0,0,0|0,0,0]=0 91 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [0,0,0,0,0,0|0,1,0]=1 92 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [0,0,0,0,0,0|0,1,0]=1 93 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [0,0,0,0,0,0|0,1,0]=1 94 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [0,0,0,0,0,0|0,1,0]=1 95 B12R1.77 COC(=O)c1cccnc1SC 62a_100011587185_200000210301 [0,0,0,0,0,0|1,1,0]=2 96 B12R1.77 COC(=O)c1cccnc1SC 62a_200000210301_100000150852 [0,0,0,0,0,0|1,1,0]=2 97 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_100011587185_200025704644 [0,0,0,0,0,0|1,1,0]=2 98 B12R1.77 COC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000150852 [0,0,0,0,0,0|1,1,0]=2 99 B12R1.77 COC(=O)c1ccncc1SC 62a_100010008606_200000210301 [0,0,0,0,0,0|1,1,0]=2 100 B12R1.77 COC(=O)c1ccncc1SC 62a_200000210301_100010008606 [0,0,0,0,0,0|1,1,0]=2 101 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_100010008606_200025704644 [0,0,0,0,0,0|1,1,0]=2 102 B12R1.77 COC(=O)c1ccncc1S[13CH3] 62a_200025704644_100010008606 [0,0,0,0,0,0|1,1,0]=2 103 B12R1.77 COC(=O)c1cnccc1SC 62a_100020629055_200000210301 [0,0,0,0,0,0|1,1,0]=2 104 B12R1.77 COC(=O)c1cnccc1SC 62a_200000210301_100020629055 [0,0,0,0,0,0|1,1,0]=2 105 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_100020629055_200025704644 [0,0,0,0,0,0|1,1,0]=2 106 B12R1.77 COC(=O)c1cnccc1S[13CH3] 62a_200025704644_100020629055 [0,0,0,0,0,0|1,1,0]=2 107 B12R1.77 COC(=O)c1cncnc1SC 62a_100000726419_200000210301 [0,0,0,0,0,0|2,1,0]=3 108 B12R1.77 COC(=O)c1cncnc1SC 62a_200000210301_100000726419 [0,0,0,0,0,0|2,1,0]=3 109 B12R1.77 COC(=O)c1cncnc1S[13CH3] 62a_100000726419_200025704644 [0,0,0,0,0,0|2,1,0]=3 110 B12R1.77 COC(=O)c1cncnc1S[13CH3] 62a_200025704644_100000726419 [0,0,0,0,0,0|2,1,0]=3 111 B12R1.77 COC(=O)c1ncccc1OC 34a_100000744052_200000210301 [0,0,0,0,0,0|1,0,0]=1 112 B12R1.77 COC(=O)c1ncccc1OC 7a_100000744052_200000210301 [0,0,0,0,0,0|1,0,0]=1 113 B12R1.77 COC(=O)c1ncccc1O[13CH3] 34a_100000744052_200025704644 [0,0,0,0,0,0|1,0,0]=1 114 B12R1.77 COC(=O)c1ncccc1O[13CH3] 7a_100000744052_200025704644 [0,0,0,0,0,0|1,0,0]=1 115 B12R1.77 COC(=O)c1ncccc1SC 62a_100011935214_200000210301 [0,0,0,0,0,0|1,1,0]=2 116 B12R1.77 COC(=O)c1ncccc1SC 62a_200000210301_100011935214 [0,0,0,0,0,0|1,1,0]=2 117 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_100011935214_200025704644 [0,0,0,0,0,0|1,1,0]=2 118 B12R1.77 COC(=O)c1ncccc1S[13CH3] 62a_200025704644_100011935214 [0,0,0,0,0,0|1,1,0]=2 119 B12R1.77 COC(=O)c1nccnc1SC 62a_100000688410_200000210301 [0,0,0,0,0,0|2,1,0]=3 120 B12R1.77 COC(=O)c1nccnc1SC 62a_200000210301_100000079898 [0,0,0,0,0,0|2,1,0]=3 121 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_100000688410_200025704644 [0,0,0,0,0,0|2,1,0]=3 122 B12R1.77 COC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000079898 [0,0,0,0,0,0|2,1,0]=3 123 B12R1.77 COC(=O)c1ncncc1SC 62a_100012360100_200000210301 [0,0,0,0,0,0|2,1,0]=3 124 B12R1.77 COC(=O)c1ncncc1SC 62a_200000210301_100012360100 [0,0,0,0,0,0|2,1,0]=3 125 B12R1.77 COC(=O)c1ncncc1S[13CH3] 62a_100012360100_200025704644 [0,0,0,0,0,0|2,1,0]=3 126 B12R1.77 COC(=O)c1ncncc1S[13CH3] 62a_200025704644_100012360100 [0,0,0,0,0,0|2,1,0]=3 127 B12R1.77 CO[C@@H](C)c1ncccc1SC 62a_106256553109_200000210301 [0,0,0,0,0,0|2,1,1]=4 128 B12R1.77 CO[C@@H](C)c1ncccc1SC 62a_200000210301_106256553109 [0,0,0,0,0,0|2,1,1]=4 129 B12R1.77 CO[C@@H](C)c1ncccc1S[13CH3] 62a_106256553109_200025704644 [0,0,0,0,0,0|2,1,1]=4 130 B12R1.77 CO[C@@H](C)c1ncccc1S[13CH3] 62a_200025704644_106256553109 [0,0,0,0,0,0|2,1,1]=4 131 B12R1.77 COc1ccccc1C(=NO)C 34a_100000164216_200000210301 [0,0,0,0,0,0|3,0,0]=3 132 B12R1.77 COc1ccccc1C(=O)CBr 7a_100000188908_200000210301 [0,0,0,0,0,0|2,0,0]=2 133 B12R1.77 COc1ccccc1C(=O)CF 1458a_100000185835_100015361967 [0,0,0,0,0,0|2,0,0]=2 134 B12R1.77 COc1ccccc1C(=O)NN 34a_100000186518_200000210301 [0,0,0,0,0,0|2,0,0]=2 135 B12R1.77 COc1ccccc1C(=O)NO 34a_100000188472_200000210301 [0,0,0,0,0,0|2,0,0]=2 136 B12R1.77 COc1ccccc1C(C)N[13CH3] 2230a_100000185323_200025704644 [0,0,0,0,0,0|2,0,1]=3 137 B12R1.77 COc1ccccc1C(C)OC 7a_100000742714_200000210301 [0,0,0,0,0,0|1,0,1]=2 138 B12R1.77 COc1ccccc1C(C)O[13CH3] 7a_100000742714_200025704644 [0,0,0,0,0,0|1,0,1]=2 139 B12R1.77 COc1ccccc1N(C)CF 269982a_100000219746_100015361967 [0,0,0,0,0,0|4,0,0]=4 140 B12R1.77 COc1ccccc1N(C)CF 34a_100000219746_100015361967 [0,0,0,0,0,0|4,0,0]=4 141 B12R1.77 CSc1ccccc1C(=O)CF 1458a_100000183967_100015361967 [0,0,0,0,0,0|2,1,0]=3 142 B12R1.77 CSc1ccccc1C(=O)NN 62a_100000190081_200000210301 [0,0,0,0,0,0|2,1,0]=3 143 B12R1.77 CSc1ccccc1C(=O)NN 62a_200000210301_100000190081 [0,0,0,0,0,0|2,1,0]=3 144 B12R1.77 CSc1ccccc1C(=O)O[Na] 62a_200000210301_114855342371 [0,0,0,0,0,0|1,1,0]=2 145 B12R1.77 N#Cc1ccccc1C(=O)CF 1458a_100000742908_100015361967 [0,0,0,0,0,0|4,0,0]=4 146 B12R1.77 O=C(CF)c1ccccc1CO 1458a_100011301526_100015361967 [0,0,0,0,0,0|4,0,0]=4 147 B12R1.77 O=Ic1ccccc1C(=O)CF 1458a_100000032414_100015361967 [0,0,0,0,0,0|4,0,0]=4 148 B12R1.77 [13CH3]Oc1ccccc1C(=O)CBr 7a_100000188908_200025704644 [0,0,0,0,0,0|2,0,0]=2 149 B12R1.77 [13CH3]Oc1ccccc1C(=O)NN 34a_100000186518_200025704644 [0,0,0,0,0,0|2,0,0]=2 150 B12R1.77 [13CH3]Oc1ccccc1C(=O)NO 34a_100000188472_200025704644 [0,0,0,0,0,0|2,0,0]=2 151 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_100000190081_200025704644 [0,0,0,0,0,0|2,1,0]=3 152 B12R1.77 [13CH3]Sc1ccccc1C(=O)NN 62a_200025704644_100000190081 [0,0,0,0,0,0|2,1,0]=3 153 B12R1.77 [13CH3]Sc1ccccc1C(=O)O[Na] 62a_200025704644_114855342371 [0,0,0,0,0,0|1,1,0]=2 154 B11R1.41 C#Cc1ccccc1COC 34a_100000054652_200000210301 [1,0,0,0,0,0|1,0,2]=4 155 B11R1.41 C#Cc1ccccc1COC 7a_100000054652_200000210301 [1,0,0,0,0,0|1,0,2]=4 156 B11R1.41 C#Cc1ccccc1CO[13CH3] 34a_100000054652_200025704644 [1,0,0,0,0,0|1,0,2]=4 157 B11R1.41 C#Cc1ccccc1CO[13CH3] 7a_100000054652_200025704644 [1,0,0,0,0,0|1,0,2]=4 158 B11R1.41 C/C=C/c1ccccc1OC 34a_200000189419_200000210301 [1,0,0,0,0,0|1,0,0]=2 159 B11R1.41 C/C=C/c1ccccc1OC 7a_200000189419_200000210301 [1,0,0,0,0,0|1,0,0]=2 160 B11R1.41 C/C=C/c1ccccc1O[13CH3] 34a_200000189419_200025704644 [1,0,0,0,0,0|1,0,0]=2 161 B11R1.41 C/C=C/c1ccccc1O[13CH3] 7a_200000189419_200025704644 [1,0,0,0,0,0|1,0,0]=2 162 B11R1.41 C=C=Cc1ccccc1CC 271570a_100015277604_100011215823 [1,0,0,0,0,0|2,0,1]=4 163 B11R1.41 C=C=Cc1ccccc1NC 271570a_100015277604_100020606079 [1,0,0,0,0,0|2,0,1]=4 164 B11R1.41 C=C=Cc1ccccc1OC 271570a_100015277604_100000174000 [1,0,0,0,0,0|1,0,1]=3 165 B11R1.41 C=C=Cc1ccccc1SC 271570a_100015277604_100011217816 [1,0,0,0,0,0|1,1,1]=4 166 B11R1.41 C=C=Cc1cccnc1OC 271570a_100015277604_100000047025 [1,0,0,0,0,0|2,0,1]=4 167 B11R1.41 C=C=Cc1ccncc1OC 271570a_100015277604_100016988167 [1,0,0,0,0,0|2,0,1]=4 168 B11R1.41 C=C=Cc1cnccc1OC 271570a_100015277604_100011997281 [1,0,0,0,0,0|2,0,1]=4 169 B11R1.41 C=C=Cc1ncccc1OC 271570a_100015277604_100000690851 [1,0,0,0,0,0|2,0,1]=4 170 B11R1.41 C=CCc1ccccc1OC 34a_100000211836_200000210301 [1,0,0,0,0,0|1,0,2]=4 171 B11R1.41 C=CCc1ccccc1OC 7a_100000211836_200000210301 [1,0,0,0,0,0|1,0,2]=4 172 B11R1.41 C=CCc1ccccc1O[13CH3] 34a_100000211836_200025704644 [1,0,0,0,0,0|1,0,2]=4 173 B11R1.41 C=CCc1ccccc1O[13CH3] 7a_100000211836_200025704644 [1,0,0,0,0,0|1,0,2]=4 174 B11R1.41 C=Cc1ccccc1COC 271570a_100011290941_100011493684 [1,0,0,0,0,0|1,0,2]=4 175 B11R1.41 C=Cc1ccccc1COC 34a_200010883148_200000210301 [1,0,0,0,0,0|1,0,2]=4 176 B11R1.41 C=Cc1ccccc1COC 7a_200010883148_200000210301 [1,0,0,0,0,0|1,0,2]=4 177 B11R1.41 C=Cc1ccccc1CO[13CH3] 34a_200010883148_200025704644 [1,0,0,0,0,0|1,0,2]=4 178 B11R1.41 C=Cc1ccccc1CO[13CH3] 7a_200010883148_200025704644 [1,0,0,0,0,0|1,0,2]=4 179 B11R1.41 CC=Cc1ccccc1C#N 271570a_100016259895_100000188569 [1,0,0,0,0,0|3,0,0]=4 180 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [1,0,0,0,0,0|3,0,0]=4 181 B11R1.41 CC=Cc1ccccc1CC 271570a_100016259895_100011215823 [1,0,0,0,0,0|2,0,0]=3 182 B11R1.41 CC=Cc1ccccc1CN 271570a_100016259895_100000689332 [1,0,0,0,0,0|3,0,0]=4 183 B11R1.41 CC=Cc1ccccc1CO 271570a_100016259895_100000187465 [1,0,0,0,0,0|3,0,0]=4 184 B11R1.41 CC=Cc1ccccc1NC 271570a_100016259895_100020606079 [1,0,0,0,0,0|2,0,0]=3 185 B11R1.41 CC=Cc1ccccc1NN 271570a_100016259895_100000241748 [1,0,0,0,0,0|3,0,0]=4 186 B11R1.41 CC=Cc1ccccc1OC 271570a_100016259895_100000174000 [1,0,0,0,0,0|1,0,0]=2 187 B11R1.41 CC=Cc1ccccc1SC 271570a_100016259895_100011217816 [1,0,0,0,0,0|1,1,0]=3 188 B11R1.41 CC=Cc1cccnc1CC 271570a_100016259895_100009877225 [1,0,0,0,0,0|3,0,0]=4 189 B11R1.41 CC=Cc1cccnc1NC 271570a_100016259895_100000700899 [1,0,0,0,0,0|3,0,0]=4 190 B11R1.41 CC=Cc1cccnc1OC 271570a_100016259895_100000047025 [1,0,0,0,0,0|2,0,0]=3 191 B11R1.41 CC=Cc1cccnc1SC 271570a_100016259895_100011465278 [1,0,0,0,0,0|2,1,0]=4 192 B11R1.41 CC=Cc1ccncc1CC 271570a_100016259895_100025704421 [1,0,0,0,0,0|3,0,0]=4 193 B11R1.41 CC=Cc1ccncc1OC 271570a_100016259895_100016988167 [1,0,0,0,0,0|2,0,0]=3 194 B11R1.41 CC=Cc1cnccc1CC 271570a_100016259895_100009819861 [1,0,0,0,0,0|3,0,0]=4 195 B11R1.41 CC=Cc1cnccc1NC 271570a_100016259895_100010069531 [1,0,0,0,0,0|3,0,0]=4 196 B11R1.41 CC=Cc1cnccc1OC 271570a_100016259895_100011997281 [1,0,0,0,0,0|2,0,0]=3 197 B11R1.41 CC=Cc1cncnc1OC 271570a_100016259895_100000719902 [1,0,0,0,0,0|3,0,0]=4 198 B11R1.41 CC=Cc1ncccc1NC 271570a_100016259895_200011806188 [1,0,0,0,0,0|3,0,0]=4 199 B11R1.41 CC=Cc1ncccc1OC 271570a_100016259895_100000690851 [1,0,0,0,0,0|2,0,0]=3 200 B11R1.41 CC=Cc1nccnc1OC 271570a_100016259895_100000749998 [1,0,0,0,0,0|3,0,0]=4 201 B11R1.41 CC=Cc1ncncc1OC 271570a_100016259895_100012001275 [1,0,0,0,0,0|3,0,0]=4 202 B11R1.41 CCCc1ccccc1NC 2230a_100000737634_200000210301 [1,0,0,0,0,0|2,0,1]=4 203 B11R1.41 CCCc1ccccc1NC 34a_100000737634_200000210301 [1,0,0,0,0,0|2,0,1]=4 204 B11R1.41 CCCc1ccccc1NC 7a_100000737634_200000210301 [1,0,0,0,0,0|2,0,1]=4 205 B11R1.41 CCCc1ccccc1N[13CH3] 2230a_100000737634_200025704644 [1,0,0,0,0,0|2,0,1]=4 206 B11R1.41 CCCc1ccccc1N[13CH3] 34a_100000737634_200025704644 [1,0,0,0,0,0|2,0,1]=4 207 B11R1.41 CCCc1ccccc1N[13CH3] 7a_100000737634_200025704644 [1,0,0,0,0,0|2,0,1]=4 208 B11R1.41 CCCc1ccccc1OC 34a_100011217252_200000210301 [1,0,0,0,0,0|1,0,1]=3 209 B11R1.41 CCCc1ccccc1OC 7a_100011217252_200000210301 [1,0,0,0,0,0|1,0,1]=3 210 B11R1.41 CCCc1ccccc1O[13CH3] 34a_100011217252_200025704644 [1,0,0,0,0,0|1,0,1]=3 211 B11R1.41 CCCc1ccccc1O[13CH3] 7a_100011217252_200025704644 [1,0,0,0,0,0|1,0,1]=3 212 B11R1.41 CCNc1ccccc1CC 2230a_100000212081_100000210202 [1,0,0,0,0,0|3,0,0]=4 213 B11R1.41 CCNc1ccccc1CC 34a_100000212081_100000210202 [1,0,0,0,0,0|3,0,0]=4 214 B11R1.41 CCNc1ccccc1CC 7a_100000212081_100000210202 [1,0,0,0,0,0|3,0,0]=4 215 B11R1.41 CCNc1ccccc1OC 34a_100000210025_100000210202 [1,0,0,0,0,0|2,0,0]=3 216 B11R1.41 CCNc1ccccc1OC 34a_103624766699_200000210301 [1,0,0,0,0,0|2,0,0]=3 217 B11R1.41 CCNc1ccccc1OC 7a_103624766699_200000210301 [1,0,0,0,0,0|2,0,0]=3 218 B11R1.41 CCNc1ccccc1O[13CH3] 34a_103624766699_200025704644 [1,0,0,0,0,0|2,0,0]=3 219 B11R1.41 CCNc1ccccc1O[13CH3] 7a_103624766699_200025704644 [1,0,0,0,0,0|2,0,0]=3 220 B11R1.41 CCNc1ccccc1SC 34a_100000211160_100000210202 [1,0,0,0,0,0|2,1,0]=4 221 B11R1.41 CCNc1ccccc1SC 62a_114873767003_200000210301 [1,0,0,0,0,0|2,1,0]=4 222 B11R1.41 CCNc1ccccc1SC 62a_200000210301_114873767003 [1,0,0,0,0,0|2,1,0]=4 223 B11R1.41 CCNc1ccccc1S[13CH3] 62a_114873767003_200025704644 [1,0,0,0,0,0|2,1,0]=4 224 B11R1.41 CCNc1ccccc1S[13CH3] 62a_200025704644_114873767003 [1,0,0,0,0,0|2,1,0]=4 225 B11R1.41 CCOc1ccccc1CC 34a_100000210936_100000210202 [1,0,0,0,0,0|3,0,0]=4 226 B11R1.41 CCOc1ccccc1CC 7a_100000210936_100000210202 [1,0,0,0,0,0|3,0,0]=4 227 B11R1.41 CCOc1ccccc1NC 34a_100000033821_100000210202 [1,0,0,0,0,0|3,0,0]=4 228 B11R1.41 CCOc1ccccc1NC 34a_100000211218_200000210301 [1,0,0,0,0,0|3,0,0]=4 229 B11R1.41 CCOc1ccccc1N[13CH3] 34a_100000211218_200025704644 [1,0,0,0,0,0|3,0,0]=4 230 B11R1.41 CCOc1ccccc1OC 34a_100000210385_100000210202 [1,0,0,0,0,0|2,0,0]=3 231 B11R1.41 CCOc1ccccc1OC 34a_100000211404_200000210301 [1,0,0,0,0,0|2,0,0]=3 232 B11R1.41 CCOc1ccccc1OC 7a_100000211404_200000210301 [1,0,0,0,0,0|2,0,0]=3 233 B11R1.41 CCOc1ccccc1O[13CH3] 34a_100000211404_200025704644 [1,0,0,0,0,0|2,0,0]=3 234 B11R1.41 CCOc1ccccc1O[13CH3] 7a_100000211404_200025704644 [1,0,0,0,0,0|2,0,0]=3 235 B11R1.41 CCOc1ccccc1SC 34a_100011216402_100000210202 [1,0,0,0,0,0|2,1,0]=4 236 B11R1.41 CCOc1ccccc1SC 62a_100000230754_200000210301 [1,0,0,0,0,0|2,1,0]=4 237 B11R1.41 CCOc1ccccc1SC 62a_200000210301_100000230754 [1,0,0,0,0,0|2,1,0]=4 238 B11R1.41 CCOc1ccccc1S[13CH3] 62a_100000230754_200025704644 [1,0,0,0,0,0|2,1,0]=4 239 B11R1.41 CCOc1ccccc1S[13CH3] 62a_200025704644_100000230754 [1,0,0,0,0,0|2,1,0]=4 240 B11R1.41 CCOc1cccnc1OC 34a_100000698397_100000210202 [1,0,0,0,0,0|3,0,0]=4 241 B11R1.41 CCOc1cccnc1OC 7a_100000698397_100000210202 [1,0,0,0,0,0|3,0,0]=4 242 B11R1.41 CCOc1cnccc1OC 34a_100000101186_100000210202 [1,0,0,0,0,0|3,0,0]=4 243 B11R1.41 CCOc1ncccc1OC 34a_100011998697_200000210301 [1,0,0,0,0,0|3,0,0]=4 244 B11R1.41 CCOc1ncccc1OC 34a_100025773188_100000210202 [1,0,0,0,0,0|3,0,0]=4 245 B11R1.41 CCOc1ncccc1O[13CH3] 34a_100011998697_200025704644 [1,0,0,0,0,0|3,0,0]=4 246 B11R1.41 CCSc1ccccc1CC 62a_100000210202_100011215823 [1,0,0,0,0,0|3,0,0]=4 247 B11R1.41 CCSc1ccccc1CC 62a_100011215823_100000210202 [1,0,0,0,0,0|3,0,0]=4 248 B11R1.41 CCSc1ccccc1NC 34a_100011223125_200000210301 [1,0,0,0,0,0|3,0,0]=4 249 B11R1.41 CCSc1ccccc1NC 62a_100000210202_100020606079 [1,0,0,0,0,0|3,0,0]=4 250 B11R1.41 CCSc1ccccc1NC 62a_100020606079_100000210202 [1,0,0,0,0,0|3,0,0]=4 251 B11R1.41 CCSc1ccccc1N[13CH3] 34a_100011223125_200025704644 [1,0,0,0,0,0|3,0,0]=4 252 B11R1.41 CCSc1ccccc1OC 62a_100000210202_100000210334 [1,0,0,0,0,0|2,0,0]=3 253 B11R1.41 CCSc1ccccc1OC 62a_100000210334_100000210202 [1,0,0,0,0,0|2,0,0]=3 254 B11R1.41 CCSc1ccccc1SC 62a_100000210202_100011217816 [1,0,0,0,0,0|2,1,0]=4 255 B11R1.41 CCSc1ccccc1SC 62a_100000230856_200000210301 [1,0,0,0,0,0|2,1,0]=4 256 B11R1.41 CCSc1ccccc1SC 62a_100011217816_100000210202 [1,0,0,0,0,0|2,1,0]=4 257 B11R1.41 CCSc1ccccc1SC 62a_200000210301_100000230856 [1,0,0,0,0,0|2,1,0]=4 258 B11R1.41 CCSc1ccccc1S[13CH3] 62a_100000230856_200025704644 [1,0,0,0,0,0|2,1,0]=4 259 B11R1.41 CCSc1ccccc1S[13CH3] 62a_200025704644_100000230856 [1,0,0,0,0,0|2,1,0]=4 260 B11R1.41 CCSc1cccnc1OC 62a_100000047025_100000210202 [1,0,0,0,0,0|3,0,0]=4 261 B11R1.41 CCSc1cccnc1OC 62a_100000210202_100000047025 [1,0,0,0,0,0|3,0,0]=4 262 B11R1.41 CCSc1ccncc1OC 62a_100000210202_100016988167 [1,0,0,0,0,0|3,0,0]=4 263 B11R1.41 CCSc1ccncc1OC 62a_100016988167_100000210202 [1,0,0,0,0,0|3,0,0]=4 264 B11R1.41 CCSc1cnccc1OC 62a_100000210202_100011997281 [1,0,0,0,0,0|3,0,0]=4 265 B11R1.41 CCSc1cnccc1OC 62a_100011997281_100000210202 [1,0,0,0,0,0|3,0,0]=4 266 B11R1.41 CCSc1ncccc1OC 62a_100000210202_100000690851 [1,0,0,0,0,0|3,0,0]=4 267 B11R1.41 CCSc1ncccc1OC 62a_100000767102_100000210202 [1,0,0,0,0,0|3,0,0]=4 268 B11R1.41 CCc1ccccc1CNC 207a_100102657272_100011219594 [1,0,0,0,0,0|2,0,1]=4 269 B11R1.41 CCc1ccccc1CNC 270004a_106832991635_100011219594 [1,0,0,0,0,0|2,0,1]=4 270 B11R1.41 CCc1ccccc1COC 34a_100011663872_200000210301 [1,0,0,0,0,0|1,0,1]=3 271 B11R1.41 CCc1ccccc1COC 7a_100011663872_200000210301 [1,0,0,0,0,0|1,0,1]=3 272 B11R1.41 CCc1ccccc1CO[13CH3] 34a_100011663872_200025704644 [1,0,0,0,0,0|1,0,1]=3 273 B11R1.41 CCc1ccccc1CO[13CH3] 7a_100011663872_200025704644 [1,0,0,0,0,0|1,0,1]=3 274 B11R1.41 CNCc1ccccc1OC 207a_100102657272_100000169842 [1,0,0,0,0,0|1,0,1]=3 275 B11R1.41 CNCc1ccccc1OC 2230a_106832991635_100000210004 [1,0,0,0,0,0|1,0,1]=3 276 B11R1.41 CNCc1ccccc1OC 270004a_106832991635_100000169842 [1,0,0,0,0,0|1,0,1]=3 277 B11R1.41 CNCc1ccccc1OC 34a_100000188900_200000210301 [1,0,0,0,0,0|1,0,1]=3 278 B11R1.41 CNCc1ccccc1OC 34a_100015189988_200000210301 [1,0,0,0,0,0|1,0,1]=3 279 B11R1.41 CNCc1ccccc1OC 34a_100102657272_100000210004 [1,0,0,0,0,0|1,0,1]=3 280 B11R1.41 CNCc1ccccc1OC 7a_106832991635_100000210004 [1,0,0,0,0,0|1,0,1]=3 281 B11R1.41 CNCc1ccccc1O[13CH3] 34a_100015189988_200025704644 [1,0,0,0,0,0|1,0,1]=3 282 B11R1.41 CNCc1ccccc1SC 207a_100102657272_100011217347 [1,0,0,0,0,0|1,1,1]=4 283 B11R1.41 CNCc1ccccc1SC 2230a_106832991635_100000699184 [1,0,0,0,0,0|1,1,1]=4 284 B11R1.41 CNCc1ccccc1SC 270004a_106832991635_100011217347 [1,0,0,0,0,0|1,1,1]=4 285 B11R1.41 CNCc1ccccc1SC 34a_100102657272_100000699184 [1,0,0,0,0,0|1,1,1]=4 286 B11R1.41 CNCc1ccccc1SC 34a_102495365025_200000210301 [1,0,0,0,0,0|1,1,1]=4 287 B11R1.41 CNCc1ccccc1SC 62a_100000184654_200000210301 [1,0,0,0,0,0|1,1,1]=4 288 B11R1.41 CNCc1ccccc1SC 62a_200000210301_100000184654 [1,0,0,0,0,0|1,1,1]=4 289 B11R1.41 CNCc1ccccc1SC 7a_106832991635_100000699184 [1,0,0,0,0,0|1,1,1]=4 290 B11R1.41 CNCc1ccccc1S[13CH3] 62a_100000184654_200025704644 [1,0,0,0,0,0|1,1,1]=4 291 B11R1.41 CNCc1ccccc1S[13CH3] 62a_200025704644_100000184654 [1,0,0,0,0,0|1,1,1]=4 292 B11R1.41 CNCc1cccnc1OC 207a_100102657272_100011290804 [1,0,0,0,0,0|2,0,1]=4 293 B11R1.41 CNCc1cccnc1OC 2230a_106832991635_100020631285 [1,0,0,0,0,0|2,0,1]=4 294 B11R1.41 CNCc1cccnc1OC 270004a_106832991635_100011290804 [1,0,0,0,0,0|2,0,1]=4 295 B11R1.41 CNCc1cccnc1OC 34a_100102657272_100020631285 [1,0,0,0,0,0|2,0,1]=4 296 B11R1.41 CNCc1cccnc1OC 7a_106832991635_100020631285 [1,0,0,0,0,0|2,0,1]=4 297 B11R1.41 CNCc1ccncc1OC 207a_100102657272_100011361505 [1,0,0,0,0,0|2,0,1]=4 298 B11R1.41 CNCc1ccncc1OC 2230a_106832991635_100020635607 [1,0,0,0,0,0|2,0,1]=4 299 B11R1.41 CNCc1ccncc1OC 270004a_106832991635_100011361505 [1,0,0,0,0,0|2,0,1]=4 300 B11R1.41 CNCc1ccncc1OC 7a_106832991635_100020635607 [1,0,0,0,0,0|2,0,1]=4 301 B11R1.41 CNCc1cnccc1OC 207a_100102657272_200011997045 [1,0,0,0,0,0|2,0,1]=4 302 B11R1.41 CNCc1cnccc1OC 270004a_106832991635_200011997045 [1,0,0,0,0,0|2,0,1]=4 303 B11R1.41 CNCc1ncccc1OC 207a_100102657272_100011912573 [1,0,0,0,0,0|2,0,1]=4 304 B11R1.41 CNCc1ncccc1OC 270004a_106832991635_100011912573 [1,0,0,0,0,0|2,0,1]=4 305 B11R1.41 COCc1ccccc1C#N 34a_100138415774_100000181865 [1,0,0,0,0,0|2,0,1]=4 306 B11R1.41 COCc1ccccc1C#N 34a_200011269968_200000210301 [1,0,0,0,0,0|2,0,1]=4 307 B11R1.41 COCc1ccccc1C#N 7a_200011269968_200000210301 [1,0,0,0,0,0|2,0,1]=4 308 B11R1.41 COCc1ccccc1C=O 34a_100138415774_200009853537 [1,0,0,0,0,0|2,0,1]=4 309 B11R1.41 COCc1ccccc1CBr 34a_100009816955_200000210301 [1,0,0,0,0,0|2,0,1]=4 310 B11R1.41 COCc1ccccc1CBr 7a_100009816955_200000210301 [1,0,0,0,0,0|2,0,1]=4 311 B11R1.41 COCc1ccccc1CN 34a_100000743596_200000210301 [1,0,0,0,0,0|2,0,1]=4 312 B11R1.41 COCc1ccccc1CO 34a_100138415774_100009816955 [1,0,0,0,0,0|2,0,1]=4 313 B11R1.41 COCc1ccccc1OC 34a_100000211301_200000210301 [1,0,0,0,0,0|0,0,1]=2 314 B11R1.41 COCc1ccccc1OC 34a_100011488565_200000210301 [1,0,0,0,0,0|0,0,1]=2 315 B11R1.41 COCc1ccccc1OC 34a_100138415774_100000210004 [1,0,0,0,0,0|0,0,1]=2 316 B11R1.41 COCc1ccccc1OC 7a_100011488565_200000210301 [1,0,0,0,0,0|0,0,1]=2 317 B11R1.41 COCc1ccccc1O[13CH3] 34a_100011488565_200025704644 [1,0,0,0,0,0|0,0,1]=2 318 B11R1.41 COCc1ccccc1O[13CH3] 7a_100011488565_200025704644 [1,0,0,0,0,0|0,0,1]=2 319 B11R1.41 COCc1ccccc1SC 34a_100000699167_200000210301 [1,0,0,0,0,0|0,1,1]=3 320 B11R1.41 COCc1ccccc1SC 34a_100138415774_100000699184 [1,0,0,0,0,0|0,1,1]=3 321 B11R1.41 COCc1ccccc1SC 62a_100011493684_200000210301 [1,0,0,0,0,0|0,1,1]=3 322 B11R1.41 COCc1ccccc1SC 62a_200000210301_100011493684 [1,0,0,0,0,0|0,1,1]=3 323 B11R1.41 COCc1ccccc1S[13CH3] 62a_100011493684_200025704644 [1,0,0,0,0,0|0,1,1]=3 324 B11R1.41 COCc1ccccc1S[13CH3] 62a_200025704644_100011493684 [1,0,0,0,0,0|0,1,1]=3 325 B11R1.41 COCc1cccnc1OC 34a_100000717863_200000210301 [1,0,0,0,0,0|1,0,1]=3 326 B11R1.41 COCc1cccnc1OC 34a_100138415774_100020631285 [1,0,0,0,0,0|1,0,1]=3 327 B11R1.41 COCc1ncccc1OC 34a_100011998681_200000210301 [1,0,0,0,0,0|1,0,1]=3 328 B11R1.41 COc1ccccc1CC#N 34a_100000043107_200000210301 [1,0,0,0,0,0|2,0,1]=4 329 B11R1.41 COc1ccccc1CC#N 7a_100000043107_200000210301 [1,0,0,0,0,0|2,0,1]=4 330 B11R1.41 COc1ccccc1CCBr 34a_100000722297_200000210301 [1,0,0,0,0,0|2,0,1]=4 331 B11R1.41 COc1ccccc1CCBr 7a_100000722297_200000210301 [1,0,0,0,0,0|2,0,1]=4 332 B11R1.41 COc1ccccc1CCN 34a_100011207237_200000210301 [1,0,0,0,0,0|2,0,1]=4 333 B11R1.41 COc1ccccc1CCO 34a_100000719421_200000210301 [1,0,0,0,0,0|2,0,1]=4 334 B11R1.41 COc1ccccc1CCO 7a_100000719421_200000210301 [1,0,0,0,0,0|2,0,1]=4 335 B11R1.41 COc1ccccc1CN[13CH3] 34a_100000188900_200025704644 [1,0,0,0,0,0|1,0,1]=3 336 B11R1.41 COc1ccccc1CO[13CH3] 34a_100000211301_200025704644 [1,0,0,0,0,0|0,0,1]=2 337 B11R1.41 COc1ccccc1CSC 62a_100000210004_200000210301 [1,0,0,0,0,0|0,1,1]=3 338 B11R1.41 COc1ccccc1CSC 62a_200000210301_100000210004 [1,0,0,0,0,0|0,1,1]=3 339 B11R1.41 COc1ccccc1CS[13CH3] 62a_100000210004_200025704644 [1,0,0,0,0,0|0,1,1]=3 340 B11R1.41 COc1ccccc1CS[13CH3] 62a_200025704644_100000210004 [1,0,0,0,0,0|0,1,1]=3 341 B11R1.41 COc1ccccc1NCF 34a_100000210025_100015361967 [1,0,0,0,0,0|3,0,0]=4 342 B11R1.41 COc1ccccc1OCF 34a_100000210385_100015361967 [1,0,0,0,0,0|3,0,0]=4 343 B11R1.41 COc1ccccc1SCF 62a_100000210334_100015361967 [1,0,0,0,0,0|3,0,0]=4 344 B11R1.41 COc1ccccc1SCF 62a_100015361967_100000210334 [1,0,0,0,0,0|3,0,0]=4 345 B11R1.41 COc1cccnc1CO[13CH3] 34a_100011998681_200025704644 [1,0,0,0,0,0|1,0,1]=3 346 B11R1.41 COc1cnccc1CSC 62a_100020635607_200000210301 [1,0,0,0,0,0|1,1,1]=4 347 B11R1.41 COc1cnccc1CSC 62a_200000210301_100020635607 [1,0,0,0,0,0|1,1,1]=4 348 B11R1.41 COc1cnccc1CS[13CH3] 62a_100020635607_200025704644 [1,0,0,0,0,0|1,1,1]=4 349 B11R1.41 COc1cnccc1CS[13CH3] 62a_200025704644_100020635607 [1,0,0,0,0,0|1,1,1]=4 350 B11R1.41 COc1ncccc1CO[13CH3] 34a_100000717863_200025704644 [1,0,0,0,0,0|1,0,1]=3 351 B11R1.41 COc1ncccc1CSC 62a_100020631285_200000210301 [1,0,0,0,0,0|1,1,1]=4 352 B11R1.41 COc1ncccc1CSC 62a_200000210301_100020631285 [1,0,0,0,0,0|1,1,1]=4 353 B11R1.41 COc1ncccc1CS[13CH3] 62a_100020631285_200025704644 [1,0,0,0,0,0|1,1,1]=4 354 B11R1.41 COc1ncccc1CS[13CH3] 62a_200025704644_100020631285 [1,0,0,0,0,0|1,1,1]=4 355 B11R1.41 CSCc1ccccc1SC 62a_100000148299_200000210301 [1,0,0,0,0,0|0,2,1]=4 356 B11R1.41 CSCc1ccccc1SC 62a_100000699184_200000210301 [1,0,0,0,0,0|0,2,1]=4 357 B11R1.41 CSCc1ccccc1SC 62a_200000210301_100000148299 [1,0,0,0,0,0|0,2,1]=4 358 B11R1.41 CSCc1ccccc1SC 62a_200000210301_100000699184 [1,0,0,0,0,0|0,2,1]=4 359 B11R1.41 CSCc1ccccc1S[13CH3] 62a_100000148299_200025704644 [1,0,0,0,0,0|0,2,1]=4 360 B11R1.41 CSCc1ccccc1S[13CH3] 62a_200025704644_100000148299 [1,0,0,0,0,0|0,2,1]=4 361 B11R1.41 CSc1ccccc1CN[13CH3] 34a_102495365025_200025704644 [1,0,0,0,0,0|1,1,1]=4 362 B11R1.41 CSc1ccccc1CO[13CH3] 34a_100000699167_200025704644 [1,0,0,0,0,0|0,1,1]=3 363 B11R1.41 CSc1ccccc1CS[13CH3] 62a_100000699184_200025704644 [1,0,0,0,0,0|0,2,1]=4 364 B11R1.41 CSc1ccccc1CS[13CH3] 62a_200025704644_100000699184 [1,0,0,0,0,0|0,2,1]=4 365 B11R1.41 [13CH3]OCc1ccccc1C#N 34a_200011269968_200025704644 [1,0,0,0,0,0|2,0,1]=4 366 B11R1.41 [13CH3]OCc1ccccc1C#N 7a_200011269968_200025704644 [1,0,0,0,0,0|2,0,1]=4 367 B11R1.41 [13CH3]OCc1ccccc1CBr 34a_100009816955_200025704644 [1,0,0,0,0,0|2,0,1]=4 368 B11R1.41 [13CH3]OCc1ccccc1CBr 7a_100009816955_200025704644 [1,0,0,0,0,0|2,0,1]=4 369 B11R1.41 [13CH3]OCc1ccccc1CN 34a_100000743596_200025704644 [1,0,0,0,0,0|2,0,1]=4 370 B11R1.41 [13CH3]Oc1ccccc1CC#N 34a_100000043107_200025704644 [1,0,0,0,0,0|2,0,1]=4 371 B11R1.41 [13CH3]Oc1ccccc1CC#N 7a_100000043107_200025704644 [1,0,0,0,0,0|2,0,1]=4 372 B11R1.41 [13CH3]Oc1ccccc1CCBr 34a_100000722297_200025704644 [1,0,0,0,0,0|2,0,1]=4 373 B11R1.41 [13CH3]Oc1ccccc1CCBr 7a_100000722297_200025704644 [1,0,0,0,0,0|2,0,1]=4 374 B11R1.41 [13CH3]Oc1ccccc1CCN 34a_100011207237_200025704644 [1,0,0,0,0,0|2,0,1]=4 375 B11R1.41 [13CH3]Oc1ccccc1CCO 34a_100000719421_200025704644 [1,0,0,0,0,0|2,0,1]=4 376 B11R1.41 [13CH3]Oc1ccccc1CCO 7a_100000719421_200025704644 [1,0,0,0,0,0|2,0,1]=4 377 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [1,0,0,0,0,0|1,0,1]=3 378 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [1,0,0,0,0,0|1,0,1]=3 379 B11R1.53 C=C(C)c1ccccc1C#N 271570a_100000694244_100000188569 [1,0,0,0,0,0|3,0,0]=4 380 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [1,0,0,0,0,0|3,0,0]=4 381 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [1,0,0,0,0,0|2,0,0]=3 382 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [1,0,0,0,0,0|3,0,0]=4 383 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [1,0,0,0,0,0|3,0,0]=4 384 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [1,0,0,0,0,0|2,0,0]=3 385 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [1,0,0,0,0,0|2,0,0]=3 386 B11R1.53 C=C(C)c1ccccc1NN 271570a_100000694244_100000241748 [1,0,0,0,0,0|3,0,0]=4 387 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [1,0,0,0,0,0|2,0,0]=3 388 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [1,0,0,0,0,0|1,0,0]=2 389 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [1,0,0,0,0,0|1,1,0]=3 390 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [1,0,0,0,0,0|3,0,0]=4 391 B11R1.53 C=C(C)c1cccnc1NC 271570a_100000694244_100000700899 [1,0,0,0,0,0|3,0,0]=4 392 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [1,0,0,0,0,0|2,0,0]=3 393 B11R1.53 C=C(C)c1cccnc1SC 271570a_100000694244_100011465278 [1,0,0,0,0,0|2,1,0]=4 394 B11R1.53 C=C(C)c1ccncc1CC 271570a_100000694244_100025704421 [1,0,0,0,0,0|3,0,0]=4 395 B11R1.53 C=C(C)c1ccncc1OC 271570a_100000694244_100016988167 [1,0,0,0,0,0|2,0,0]=3 396 B11R1.53 C=C(C)c1cnccc1CC 271570a_100000694244_100009819861 [1,0,0,0,0,0|3,0,0]=4 397 B11R1.53 C=C(C)c1cnccc1NC 271570a_100000694244_100010069531 [1,0,0,0,0,0|3,0,0]=4 398 B11R1.53 C=C(C)c1cnccc1OC 271570a_100000694244_100011997281 [1,0,0,0,0,0|2,0,0]=3 399 B11R1.53 C=C(C)c1cncnc1OC 271570a_100000694244_100000719902 [1,0,0,0,0,0|3,0,0]=4 400 B11R1.53 C=C(C)c1ncccc1NC 271570a_100000694244_200011806188 [1,0,0,0,0,0|3,0,0]=4 401 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [1,0,0,0,0,0|2,0,0]=3 402 B11R1.53 C=C(C)c1nccnc1OC 271570a_100000694244_100000749998 [1,0,0,0,0,0|3,0,0]=4 403 B11R1.53 C=C(C)c1ncncc1OC 271570a_100000694244_100012001275 [1,0,0,0,0,0|3,0,0]=4 404 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [1,0,0,0,0,0|1,0,1]=3 405 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [1,0,0,0,0,0|1,0,1]=3 406 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [1,0,0,0,0,0|2,0,1]=4 407 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [1,0,0,0,0,0|1,0,1]=3 408 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [1,0,0,0,0,0|2,0,1]=4 409 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [1,0,0,0,0,0|2,0,1]=4 410 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [1,0,0,0,0,0|2,0,1]=4 411 B11R1.53 C=Cc1cnccc1C(=O)C 271570a_100011290941_100009993184 [1,0,0,0,0,0|2,0,1]=4 412 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [1,0,0,0,0,0|2,0,1]=4 413 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [1,0,0,0,0,0|2,0,0]=3 414 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [1,0,0,0,0,0|2,0,0]=3 415 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [1,0,0,0,0,0|2,0,0]=3 416 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [1,0,0,0,0,0|0,1,0]=2 417 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [1,0,0,0,0,0|1,1,0]=3 418 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [1,0,0,0,0,0|1,1,0]=3 419 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [1,0,0,0,0,0|1,0,0]=2 420 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [1,0,0,0,0,0|1,1,0]=3 421 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [1,0,0,0,0,0|1,1,0]=3 422 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [1,0,0,0,0,0|1,1,0]=3 423 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [1,0,0,0,0,0|1,1,0]=3 424 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [1,0,0,0,0,0|1,0,0]=2 425 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [1,0,0,0,0,0|1,0,0]=2 426 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [1,0,0,0,0,0|1,1,0]=3 427 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [1,0,0,0,0,0|1,1,0]=3 428 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [1,0,0,0,0,0|2,1,0]=4 429 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [1,0,0,0,0,0|2,1,0]=4 430 B11R1.53 CC(C)c1ccccc1N[13CH3] 2230a_100000210643_200025704644 [1,0,0,0,0,0|2,0,1]=4 431 B11R1.53 CC(C)c1ccccc1N[13CH3] 34a_100000210643_200025704644 [1,0,0,0,0,0|2,0,1]=4 432 B11R1.53 CC(C)c1ccccc1N[13CH3] 7a_100000210643_200025704644 [1,0,0,0,0,0|2,0,1]=4 433 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [1,0,0,0,0,0|1,0,1]=3 434 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [1,0,0,0,0,0|1,0,1]=3 435 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_100000708600_200025704644 [1,0,0,0,0,0|1,1,1]=4 436 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_200025704644_100000708600 [1,0,0,0,0,0|1,1,1]=4 437 B11R1.53 CC(C)c1ncccc1O[13CH3] 34a_100012183336_200025704644 [1,0,0,0,0,0|2,0,1]=4 438 B11R1.53 CC(C)c1ncccc1O[13CH3] 7a_100012183336_200025704644 [1,0,0,0,0,0|2,0,1]=4 439 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_100000181357_200025704644 [1,0,0,0,0,0|1,1,1]=4 440 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_200025704644_100000181357 [1,0,0,0,0,0|1,1,1]=4 441 B11R1.53 CC(O)c1ccccc1N[13CH3] 2230a_100011405641_200025704644 [1,0,0,0,0,0|1,0,2]=4 442 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [1,0,0,0,0,0|0,0,2]=3 443 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [1,0,0,0,0,0|0,0,2]=3 444 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_100000702211_200025704644 [1,0,0,0,0,0|0,1,2]=4 445 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_200025704644_100000702211 [1,0,0,0,0,0|0,1,2]=4 446 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [1,0,0,0,0,0|1,0,0]=2 447 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [1,0,0,0,0,0|1,0,0]=2 448 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_100011290883_200025704644 [1,0,0,0,0,0|2,1,0]=4 449 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_200025704644_100011290883 [1,0,0,0,0,0|2,1,0]=4 450 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [1,0,0,0,0,0|2,0,0]=3 451 B11R1.53 CNc1ccccc1C(C)C 2230a_100000210643_200000210301 [1,0,0,0,0,0|2,0,1]=4 452 B11R1.53 CNc1ccccc1C(C)C 34a_100000210643_200000210301 [1,0,0,0,0,0|2,0,1]=4 453 B11R1.53 CNc1ccccc1C(C)C 7a_100000210643_200000210301 [1,0,0,0,0,0|2,0,1]=4 454 B11R1.53 CNc1ccccc1C(C)O 2230a_100011405641_200000210301 [1,0,0,0,0,0|1,0,2]=4 455 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [1,0,0,0,0,0|3,0,0]=4 456 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [1,0,0,0,0,0|2,0,0]=3 457 B11R1.53 CNc1ccncc1C(=O)N 27a_100102657272_100000697804 [1,0,0,0,0,0|3,0,0]=4 458 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [1,0,0,0,0,0|2,0,0]=3 459 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [1,0,0,0,0,0|3,0,0]=4 460 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [1,0,0,0,0,0|3,0,0]=4 461 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [1,0,0,0,0,0|0,0,0]=1 462 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [1,0,0,0,0,0|1,0,0]=2 463 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [1,0,0,0,0,0|1,0,0]=2 464 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [1,0,0,0,0,0|0,0,0]=1 465 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [1,0,0,0,0,0|0,0,1]=2 466 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [1,0,0,0,0,0|1,1,0]=3 467 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [1,0,0,0,0,0|1,0,1]=3 468 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [1,0,0,0,0,0|1,0,1]=3 469 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [1,0,0,0,0,0|0,0,2]=3 470 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [1,0,0,0,0,0|0,0,2]=3 471 B11R1.53 COc1ccccc1N(C)C 2230a_100000219746_200000210301 [1,0,0,0,0,0|2,0,0]=3 472 B11R1.53 COc1ccccc1N(C)C 269982a_100000219746_200000210301 [1,0,0,0,0,0|2,0,0]=3 473 B11R1.53 COc1ccccc1N(C)C 34a_100000219746_200000210301 [1,0,0,0,0,0|2,0,0]=3 474 B11R1.53 COc1ccccc1N(C)[13CH3] 2230a_100000219746_200025704644 [1,0,0,0,0,0|2,0,0]=3 475 B11R1.53 COc1ccccc1N(C)[13CH3] 269982a_100000219746_200025704644 [1,0,0,0,0,0|2,0,0]=3 476 B11R1.53 COc1ccccc1N(C)[13CH3] 34a_100000219746_200025704644 [1,0,0,0,0,0|2,0,0]=3 477 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [1,0,0,0,0,0|1,0,1]=3 478 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [1,0,0,0,0,0|1,0,1]=3 479 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [1,0,0,0,0,0|1,0,1]=3 480 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [1,0,0,0,0,0|1,0,0]=2 481 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [1,0,0,0,0,0|1,0,0]=2 482 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [1,0,0,0,0,0|2,0,0]=3 483 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [1,0,0,0,0,0|2,0,0]=3 484 B11R1.53 COc1cccnc1C(C)C 34a_100012183336_200000210301 [1,0,0,0,0,0|2,0,1]=4 485 B11R1.53 COc1cccnc1C(C)C 7a_100012183336_200000210301 [1,0,0,0,0,0|2,0,1]=4 486 B11R1.53 COc1cccnc1[N+](=O)[O-] 7a_100000183951_200000210301 [1,0,0,0,0,0|2,0,1]=4 487 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [1,0,0,0,0,0|2,0,0]=3 488 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [1,0,0,0,0,0|1,0,0]=2 489 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [1,0,0,0,0,0|2,0,0]=3 490 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [1,0,0,0,0,0|3,0,0]=4 491 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [1,0,0,0,0,0|1,1,0]=3 492 B11R1.53 CSc1ccccc1B(O)O 62a_100000693059_200000210301 [1,0,0,0,0,0|1,1,1]=4 493 B11R1.53 CSc1ccccc1B(O)O 62a_200000210301_100000693059 [1,0,0,0,0,0|1,1,1]=4 494 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [1,0,0,0,0,0|0,1,0]=2 495 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [1,0,0,0,0,0|0,1,0]=2 496 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [1,0,0,0,0,0|1,1,0]=3 497 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [1,0,0,0,0,0|1,1,0]=3 498 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [1,0,0,0,0,0|0,1,0]=2 499 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [1,0,0,0,0,0|0,1,0]=2 500 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [1,0,0,0,0,0|0,1,0]=2 501 B11R1.53 CSc1ccccc1C(C)C 62a_100000708600_200000210301 [1,0,0,0,0,0|1,1,1]=4 502 B11R1.53 CSc1ccccc1C(C)C 62a_200000210301_100000708600 [1,0,0,0,0,0|1,1,1]=4 503 B11R1.53 CSc1ccccc1C(C)N 62a_100000181357_200000210301 [1,0,0,0,0,0|1,1,1]=4 504 B11R1.53 CSc1ccccc1C(C)N 62a_200000210301_100000181357 [1,0,0,0,0,0|1,1,1]=4 505 B11R1.53 CSc1ccccc1C(C)O 62a_100000702211_200000210301 [1,0,0,0,0,0|0,1,2]=4 506 B11R1.53 CSc1ccccc1C(C)O 62a_200000210301_100000702211 [1,0,0,0,0,0|0,1,2]=4 507 B11R1.53 CSc1ccccc1N(C)C 62a_100011290883_200000210301 [1,0,0,0,0,0|2,1,0]=4 508 B11R1.53 CSc1ccccc1N(C)C 62a_200000210301_100011290883 [1,0,0,0,0,0|2,1,0]=4 509 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [1,0,0,0,0,0|1,1,0]=3 510 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [1,0,0,0,0,0|1,1,0]=3 511 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [1,0,0,0,0,0|1,1,0]=3 512 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [1,0,0,0,0,0|2,1,0]=4 513 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [1,0,0,0,0,0|2,1,0]=4 514 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [1,0,0,0,0,0|1,1,0]=3 515 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [1,0,0,0,0,0|1,1,0]=3 516 B11R1.53 CSc1ccncc1C(=O)N 62a_100000697804_200000210301 [1,0,0,0,0,0|2,1,0]=4 517 B11R1.53 CSc1ccncc1C(=O)N 62a_200000210301_100000697804 [1,0,0,0,0,0|2,1,0]=4 518 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [1,0,0,0,0,0|1,1,0]=3 519 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [1,0,0,0,0,0|1,1,0]=3 520 B11R1.53 CSc1cnccc1C(=O)N 62a_100010205435_200000210301 [1,0,0,0,0,0|2,1,0]=4 521 B11R1.53 CSc1cnccc1C(=O)N 62a_200000210301_100010205435 [1,0,0,0,0,0|2,1,0]=4 522 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [1,0,0,0,0,0|1,1,0]=3 523 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [1,0,0,0,0,0|1,1,0]=3 524 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [1,0,0,0,0,0|2,1,0]=4 525 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [1,0,0,0,0,0|2,1,0]=4 526 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [1,0,0,0,0,0|2,1,0]=4 527 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [1,0,0,0,0,0|2,1,0]=4 528 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [1,0,0,0,0,0|1,0,1]=3 529 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [1,0,0,0,0,0|2,0,0]=3 530 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [1,0,0,0,0,0|2,0,0]=3 531 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [1,0,0,0,0,0|2,0,0]=3 532 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [1,0,0,0,0,0|2,0,0]=3 533 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [1,0,0,0,0,0|1,0,0]=2 534 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [1,0,0,0,0,0|1,0,0]=2 535 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [1,0,0,0,0,0|0,0,1]=2 536 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [1,0,0,0,0,0|1,1,0]=3 537 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [1,0,0,0,0,0|1,0,1]=3 538 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [1,0,0,0,0,0|1,0,1]=3 539 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [1,0,0,0,0,0|2,0,0]=3 540 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [1,0,0,0,0,0|2,0,0]=3 541 B11R1.53 [13CH3]Oc1cccnc1[N+](=O)[O-] 7a_100000183951_200025704644 [1,0,0,0,0,0|2,0,1]=4 542 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [1,0,0,0,0,0|2,0,0]=3 543 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [1,0,0,0,0,0|2,0,0]=3 544 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [1,0,0,0,0,0|3,0,0]=4 545 B11R1.53 [13CH3]Sc1ccccc1B(O)O 62a_100000693059_200025704644 [1,0,0,0,0,0|1,1,1]=4 546 B11R1.53 [13CH3]Sc1ccccc1B(O)O 62a_200025704644_100000693059 [1,0,0,0,0,0|1,1,1]=4 547 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [1,0,0,0,0,0|1,1,0]=3 548 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [1,0,0,0,0,0|1,1,0]=3 549 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [1,0,0,0,0,0|0,1,0]=2 550 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [1,0,0,0,0,0|0,1,0]=2 551 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [1,0,0,0,0,0|2,1,0]=4 552 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [1,0,0,0,0,0|2,1,0]=4 553 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_100000697804_200025704644 [1,0,0,0,0,0|2,1,0]=4 554 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_200025704644_100000697804 [1,0,0,0,0,0|2,1,0]=4 555 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_100010205435_200025704644 [1,0,0,0,0,0|2,1,0]=4 556 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_200025704644_100010205435 [1,0,0,0,0,0|2,1,0]=4 557 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [1,0,0,0,0,0|2,1,0]=4 558 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [1,0,0,0,0,0|2,1,0]=4 559 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [1,0,0,0,0,0|2,0,1]=4 560 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [1,0,0,0,0,0|2,0,1]=4 561 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [1,0,0,0,0,0|2,0,1]=4 562 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [1,0,0,0,0,0|2,0,1]=4 563 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [1,0,0,0,0,0|2,0,1]=4 564 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [1,0,0,0,0,0|2,0,1]=4 565 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [1,0,0,0,0,0|2,0,1]=4 566 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [1,0,0,0,0,0|2,0,0]=3 567 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [1,0,0,0,0,0|1,0,0]=2 568 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [1,0,0,0,0,0|2,0,0]=3 569 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [1,0,0,0,0,0|2,0,0]=3 570 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [1,0,0,0,0,0|2,0,0]=3 571 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,0,0,0,0,0|1,0,0]=2 572 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [1,0,0,0,0,0|1,0,1]=3 573 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [1,0,0,0,0,0|3,0,0]=4 574 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [1,0,0,0,0,0|3,0,0]=4 575 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [1,0,0,0,0,0|3,0,0]=4 576 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [1,0,0,0,0,0|3,0,0]=4 577 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [1,0,0,0,0,0|3,0,0]=4 578 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [1,0,0,0,0,0|3,0,0]=4 579 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [1,0,0,0,0,0|3,0,0]=4 580 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [1,0,0,0,0,0|3,0,0]=4 581 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [1,0,0,0,0,0|3,0,0]=4 582 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [1,0,0,0,0,0|3,0,0]=4 583 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [1,0,0,0,0,0|3,0,0]=4 584 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [1,0,0,0,0,0|3,0,0]=4 585 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [1,0,0,0,0,0|2,0,0]=3 586 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [1,0,0,0,0,0|2,0,0]=3 587 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [1,0,0,0,0,0|2,0,0]=3 588 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [1,0,0,0,0,0|2,0,0]=3 589 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [1,0,0,0,0,0|1,0,0]=2 590 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [1,0,0,0,0,0|1,0,0]=2 591 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [1,0,0,0,0,0|1,0,0]=2 592 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [1,0,0,0,0,0|1,0,0]=2 593 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [1,0,0,0,0,0|2,0,0]=3 594 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [1,0,0,0,0,0|2,0,0]=3 595 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [1,0,0,0,0,0|2,0,0]=3 596 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [1,0,0,0,0,0|2,0,0]=3 597 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [1,0,0,0,0,0|2,0,0]=3 598 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [1,0,0,0,0,0|2,0,0]=3 599 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [1,0,0,0,0,0|2,0,0]=3 600 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [1,0,0,0,0,0|2,0,0]=3 601 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [1,0,0,0,0,0|2,0,0]=3 602 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [1,0,0,0,0,0|2,0,0]=3 603 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [1,0,0,0,0,0|2,0,0]=3 604 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [1,0,0,0,0,0|2,0,0]=3 605 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [1,0,0,0,0,0|1,0,0]=2 606 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [1,0,0,0,0,0|1,0,0]=2 607 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [1,0,0,0,0,0|1,0,1]=3 608 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [1,0,0,0,0,0|1,0,1]=3 609 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [1,0,0,0,0,0|1,0,1]=3 610 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [1,0,0,0,0,0|2,0,0]=3 611 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [1,0,0,0,0,0|2,0,1]=4 612 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [1,0,0,0,0,0|2,0,1]=4 613 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [1,0,0,0,0,0|2,0,1]=4 614 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [1,0,0,0,0,0|2,0,1]=4 615 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [1,0,0,0,0,0|2,0,1]=4 616 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [1,0,0,0,0,0|0,0,0]=1 617 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [1,0,0,0,0,0|1,0,0]=2 618 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [1,0,0,0,0,0|1,0,0]=2 619 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [1,0,0,0,0,0|1,0,0]=2 620 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [1,0,0,0,0,0|2,0,0]=3 621 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [1,0,0,0,0,0|1,0,0]=2 622 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [1,0,0,0,0,0|2,0,0]=3 623 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [1,0,0,0,0,0|2,0,0]=3 624 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [1,0,0,0,0,0|2,0,1]=4 625 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [1,0,0,0,0,0|2,0,1]=4 626 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [1,0,0,0,0,0|1,0,1]=3 627 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [1,0,0,0,0,0|1,0,1]=3 628 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [1,0,0,0,0,0|2,0,1]=4 629 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [1,0,0,0,0,0|2,0,1]=4 630 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [1,0,0,0,0,0|2,0,1]=4 631 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [1,0,0,0,0,0|2,0,1]=4 632 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [1,0,0,0,0,0|2,0,1]=4 633 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [1,0,0,0,0,0|2,0,1]=4 634 B11R1.222 CO[C@@H](C)c1ncccc1O 271570a_203496583355_106256553109 [1,0,0,0,0,0|2,0,1]=4 635 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [1,0,0,0,0,0|2,0,1]=4 636 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [1,0,0,0,0,0|2,0,0]=3 637 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [1,0,0,0,0,0|2,0,1]=4 638 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [1,0,0,0,0,0|2,0,1]=4 639 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [1,0,0,0,0,0|1,0,1]=3 640 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [1,0,0,0,0,0|1,0,1]=3 641 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [1,0,0,0,0,0|2,0,0]=3 642 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [1,0,0,0,0,0|3,0,0]=4 643 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [1,0,0,0,0,0|3,0,0]=4 644 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [1,0,0,0,0,0|3,0,0]=4 645 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [1,0,0,0,0,0|3,0,0]=4 646 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [1,0,0,0,0,0|2,0,0]=3 647 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [1,0,0,0,0,0|2,0,1]=4 648 B13R1.89 C#Cc1ccccc1C(=O)C(C)C 1458a_100011243808_100000210206 [0,1,0,0,0,0|2,0,1]=4 649 B13R1.89 C#Cc1ccccc1C(=O)N(C)C 527a_100102631434_100011243808 [0,1,0,0,0,0|2,0,1]=4 650 B13R1.89 C=Cc1ccccc1C(=O)C(C)C 1458a_100011830265_100000210206 [0,1,0,0,0,0|2,0,1]=4 651 B13R1.89 C=Cc1ccccc1C(=O)N(C)C 1626a_100102631434_100011830265 [0,1,0,0,0,0|2,0,1]=4 652 B13R1.89 C=Cc1ccccc1C(=O)N(C)C 271570a_100011290941_100000159526 [0,1,0,0,0,0|2,0,1]=4 653 B13R1.89 CC(C)C(=O)c1ccccc1C#N 1458a_100000742908_100000210206 [0,1,0,0,0,0|3,0,0]=4 654 B13R1.89 CC(C)C(=O)c1ccccc1CO 1458a_100011301526_100000210206 [0,1,0,0,0,0|3,0,0]=4 655 B13R1.89 CC(C)C(=O)c1ccccc1I=O 1458a_100000032414_100000210206 [0,1,0,0,0,0|3,0,0]=4 656 B13R1.89 CCc1ccccc1C(=C(C)C)C 271570a_200000049429_100011215823 [0,1,0,0,0,0|3,0,0]=4 657 B13R1.89 CCc1ccccc1C(=O)C(C)C 1458a_100000689120_100000210206 [0,1,0,0,0,0|2,0,0]=3 658 B13R1.89 CCc1ccccc1C(=O)N(C)C 11a_100102631434_100000689120 [0,1,0,0,0,0|2,0,0]=3 659 B13R1.89 CCc1ccccc1C(=O)N(C)C 1626a_100102631434_100000689120 [0,1,0,0,0,0|2,0,0]=3 660 B13R1.89 CCc1ccccc1C(=O)N(C)C 240690a_100102631434_100000689120 [0,1,0,0,0,0|2,0,0]=3 661 B13R1.89 CCc1ccccc1C(=O)N(C)C 527a_100102631434_100000689120 [0,1,0,0,0,0|2,0,0]=3 662 B13R1.89 CN(C)C(=O)c1ccccc1C#N 11a_100102631434_100000742908 [0,1,0,0,0,0|3,0,0]=4 663 B13R1.89 CN(C)C(=O)c1ccccc1C#N 1626a_100102631434_100000742908 [0,1,0,0,0,0|3,0,0]=4 664 B13R1.89 CN(C)C(=O)c1ccccc1C#N 527a_100102631434_100000742908 [0,1,0,0,0,0|3,0,0]=4 665 B13R1.89 CN(C)C(=O)c1ccccc1I=O 1626a_100102631434_100000032414 [0,1,0,0,0,0|3,0,0]=4 666 B13R1.89 CN(C)C(=O)c1ccccc1I=O 240690a_100102631434_100000032414 [0,1,0,0,0,0|3,0,0]=4 667 B13R1.89 CN(C)C(=O)c1ccccc1I=O 527a_100102631434_100000032414 [0,1,0,0,0,0|3,0,0]=4 668 B13R1.89 CN(C)C(=O)c1ccccc1N[13CH3] 34a_100000188421_200025704644 [0,1,0,0,0,0|2,0,0]=3 669 B13R1.89 CN(C)C(=O)c1ccccc1O[13CH3] 34a_100000192106_200025704644 [0,1,0,0,0,0|1,0,0]=2 670 B13R1.89 CN(C)C(=O)c1ccccc1O[13CH3] 7a_100000192106_200025704644 [0,1,0,0,0,0|1,0,0]=2 671 B13R1.89 CN(C)C(=O)c1ccccc1S[13CH3] 62a_100000159526_200025704644 [0,1,0,0,0,0|1,1,0]=3 672 B13R1.89 CN(C)C(=O)c1ccccc1S[13CH3] 62a_200025704644_100000159526 [0,1,0,0,0,0|1,1,0]=3 673 B13R1.89 CN(C)C(=O)c1cccnc1S[13CH3] 62a_100000159563_200025704644 [0,1,0,0,0,0|2,1,0]=4 674 B13R1.89 CN(C)C(=O)c1cccnc1S[13CH3] 62a_200025704644_100000159563 [0,1,0,0,0,0|2,1,0]=4 675 B13R1.89 CN(C)C(=O)c1ncccc1O[13CH3] 34a_200011376111_200025704644 [0,1,0,0,0,0|2,0,0]=3 676 B13R1.89 CN(C)C(=O)c1ncccc1O[13CH3] 7a_200011376111_200025704644 [0,1,0,0,0,0|2,0,0]=3 677 B13R1.89 CNc1ccccc1C(=C(C)C)C 271570a_200000049429_100020606079 [0,1,0,0,0,0|3,0,0]=4 678 B13R1.89 CNc1ccccc1C(=O)N(C)C 34a_100000188421_200000210301 [0,1,0,0,0,0|2,0,0]=3 679 B13R1.89 CNc1ncccc1C(=O)N(C)C 27a_100102657272_100000159563 [0,1,0,0,0,0|3,0,0]=4 680 B13R1.89 COc1ccccc1C(=C(C)C)C 271570a_200000049429_100000174000 [0,1,0,0,0,0|2,0,0]=3 681 B13R1.89 COc1ccccc1C(=O)C(C)C 1458a_100000185835_100000210206 [0,1,0,0,0,0|1,0,0]=2 682 B13R1.89 COc1ccccc1C(=O)N(C)C 11a_100102631434_100000185835 [0,1,0,0,0,0|1,0,0]=2 683 B13R1.89 COc1ccccc1C(=O)N(C)C 1626a_100102631434_100000185835 [0,1,0,0,0,0|1,0,0]=2 684 B13R1.89 COc1ccccc1C(=O)N(C)C 240690a_100102631434_100000185835 [0,1,0,0,0,0|1,0,0]=2 685 B13R1.89 COc1ccccc1C(=O)N(C)C 34a_100000192106_200000210301 [0,1,0,0,0,0|1,0,0]=2 686 B13R1.89 COc1ccccc1C(=O)N(C)C 527a_100102631434_100000185835 [0,1,0,0,0,0|1,0,0]=2 687 B13R1.89 COc1ccccc1C(=O)N(C)C 7a_100000192106_200000210301 [0,1,0,0,0,0|1,0,0]=2 688 B13R1.89 COc1ccccc1C(C)C(=O)C 1458a_100011435281_200000210301 [0,1,0,0,0,0|2,0,1]=4 689 B13R1.89 COc1ccccc1C(C)C(=O)[13CH3] 1458a_100011435281_200025704644 [0,1,0,0,0,0|2,0,1]=4 690 B13R1.89 COc1ccccc1C(C)N(C)C 2230a_100015187102_200000210301 [0,1,0,0,0,0|2,0,1]=4 691 B13R1.89 COc1ccccc1C(C)N(C)C 269982a_100015187102_200000210301 [0,1,0,0,0,0|2,0,1]=4 692 B13R1.89 COc1ccccc1C(C)N(C)[13CH3] 2230a_100015187102_200025704644 [0,1,0,0,0,0|2,0,1]=4 693 B13R1.89 COc1ccccc1C(C)N(C)[13CH3] 269982a_100015187102_200025704644 [0,1,0,0,0,0|2,0,1]=4 694 B13R1.89 COc1ccccc1N(C)C(=O)C 11a_100000219746_100015343762 [0,1,0,0,0,0|3,0,0]=4 695 B13R1.89 COc1ccccc1N(C)C(=O)C 1626a_100000219746_100015343762 [0,1,0,0,0,0|3,0,0]=4 696 B13R1.89 COc1ccccc1N(C)C(=O)C 22a_100000219746_100000070787 [0,1,0,0,0,0|3,0,0]=4 697 B13R1.89 COc1ccccc1N(C)C(C)C 2230a_100000219746_100000210206 [0,1,0,0,0,0|3,0,0]=4 698 B13R1.89 COc1ccccc1N(C)C(C)C 269982a_100000219746_100000210206 [0,1,0,0,0,0|3,0,0]=4 699 B13R1.89 COc1ccccc1N(C)C(C)C 34a_100000219746_100000210206 [0,1,0,0,0,0|3,0,0]=4 700 B13R1.89 COc1cccnc1C(=C(C)C)C 271570a_200000049429_100000690851 [0,1,0,0,0,0|3,0,0]=4 701 B13R1.89 COc1cccnc1C(=O)N(C)C 34a_200011376111_200000210301 [0,1,0,0,0,0|2,0,0]=3 702 B13R1.89 COc1cccnc1C(=O)N(C)C 7a_200011376111_200000210301 [0,1,0,0,0,0|2,0,0]=3 703 B13R1.89 COc1ccncc1C(=C(C)C)C 271570a_200000049429_100011997281 [0,1,0,0,0,0|3,0,0]=4 704 B13R1.89 COc1cnccc1C(=C(C)C)C 271570a_200000049429_100016988167 [0,1,0,0,0,0|3,0,0]=4 705 B13R1.89 COc1ncccc1C(=C(C)C)C 271570a_200000049429_100000047025 [0,1,0,0,0,0|3,0,0]=4 706 B13R1.89 CSc1ccccc1C(=C(C)C)C 271570a_200000049429_100011217816 [0,1,0,0,0,0|2,1,0]=4 707 B13R1.89 CSc1ccccc1C(=O)C(C)C 1458a_100000183967_100000210206 [0,1,0,0,0,0|1,1,0]=3 708 B13R1.89 CSc1ccccc1C(=O)N(C)C 11a_100102631434_100000183967 [0,1,0,0,0,0|1,1,0]=3 709 B13R1.89 CSc1ccccc1C(=O)N(C)C 1626a_100102631434_100000183967 [0,1,0,0,0,0|1,1,0]=3 710 B13R1.89 CSc1ccccc1C(=O)N(C)C 240690a_100102631434_100000183967 [0,1,0,0,0,0|1,1,0]=3 711 B13R1.89 CSc1ccccc1C(=O)N(C)C 527a_100102631434_100000183967 [0,1,0,0,0,0|1,1,0]=3 712 B13R1.89 CSc1ccccc1C(=O)N(C)C 62a_100000159526_200000210301 [0,1,0,0,0,0|1,1,0]=3 713 B13R1.89 CSc1ccccc1C(=O)N(C)C 62a_200000210301_100000159526 [0,1,0,0,0,0|1,1,0]=3 714 B13R1.89 CSc1ncccc1C(=O)N(C)C 62a_100000159563_200000210301 [0,1,0,0,0,0|2,1,0]=4 715 B13R1.89 CSc1ncccc1C(=O)N(C)C 62a_200000210301_100000159563 [0,1,0,0,0,0|2,1,0]=4 716 B13R1.92 CCC(NC)c1ccccc1OC 2230a_100016991433_200000210301 [0,1,0,0,0,0|2,0,1]=4 717 B13R1.92 CCC(NC)c1ccccc1OC 269862a_106832991636_100000172531 [0,1,0,0,0,0|2,0,1]=4 718 B13R1.92 CCC(N[13CH3])c1ccccc1OC 2230a_100016991433_200025704644 [0,1,0,0,0,0|2,0,1]=4 719 B13R1.92 CCN(CC)c1ccccc1OC 2230a_100020603010_100000210202 [0,1,0,0,0,0|3,0,0]=4 720 B13R1.92 CCN(CC)c1ccccc1OC 269982a_100020603010_100000204670 [0,1,0,0,0,0|3,0,0]=4 721 B13R1.92 CCN(CF)c1ccccc1OC 269982a_100020603010_100015361967 [0,1,0,0,0,0|3,0,0]=4 722 B13R1.92 CNC(CO)c1ccccc1OC 2230a_100000756845_200000210301 [0,1,0,0,0,0|1,0,2]=4 723 B13R1.92 COC(OC)c1ccccc1SC 62a_100010185899_200000210301 [0,1,0,0,0,0|0,1,2]=4 724 B13R1.92 COC(OC)c1ccccc1SC 62a_200000210301_100010185899 [0,1,0,0,0,0|0,1,2]=4 725 B13R1.92 COC(OC)c1ccccc1S[13CH3] 62a_100010185899_200025704644 [0,1,0,0,0,0|0,1,2]=4 726 B13R1.92 COC(OC)c1ccccc1S[13CH3] 62a_200025704644_100010185899 [0,1,0,0,0,0|0,1,2]=4 727 B13R1.92 COc1ccccc1C(CO)N[13CH3] 2230a_100000756845_200025704644 [0,1,0,0,0,0|1,0,2]=4 728 B13R1.107 C=Cc1c(cccc1C(=O)OC)Br 271570a_100011290941_100010150843 [0,1,0,0,0,0|1,0,1]=3 729 B13R1.107 C=Cc1c(cccc1C(=O)OC)C 271570a_100011290941_100012002529 [0,1,0,0,0,0|1,0,1]=3 730 B13R1.107 C=Cc1c(cccc1C(=O)OC)F 271570a_100011290941_100012357630 [0,1,0,0,0,0|1,0,1]=3 731 B13R1.107 C=Cc1c(cccc1C(=O)OC)N 271570a_100011290941_100000719424 [0,1,0,0,0,0|1,0,1]=3 732 B13R1.107 C=Cc1c(cccc1C(=O)OC)O 271570a_100011290941_200010230364 [0,1,0,0,0,0|1,0,1]=3 733 B13R1.107 CCC(=O)c1cccc(c1C#N)F 1458a_100000702252_100000210202 [0,1,0,0,0,0|3,0,0]=4 734 B13R1.107 CCC(=O)c1cccc(c1CC)Br 1458a_100010125490_100000210202 [0,1,0,0,0,0|2,0,0]=3 735 B13R1.107 CCC(=O)c1cccc(c1OC)Br 1458a_100000689802_100000210202 [0,1,0,0,0,0|1,0,0]=2 736 B13R1.107 CCC(=O)c1cccc(c1OC)C 1458a_100000187929_100000210202 [0,1,0,0,0,0|1,0,0]=2 737 B13R1.107 CCC(=O)c1cccc(c1OC)Cl 1458a_100011934004_100000210202 [0,1,0,0,0,0|1,0,0]=2 738 B13R1.107 CCC(=O)c1cccc(c1OC)F 1458a_100011218433_100000210202 [0,1,0,0,0,0|1,0,0]=2 739 B13R1.107 CCC(=O)c1cccc(c1OC)O 1458a_100000080799_100000210202 [0,1,0,0,0,0|1,0,0]=2 740 B13R1.107 CCc1c(cccc1C(=O)CF)Br 1458a_100010125490_100015361967 [0,1,0,0,0,0|3,0,0]=4 741 B13R1.107 CCc1c(cccc1C(=O)NC)Br 11a_106832991635_100010125490 [0,1,0,0,0,0|2,0,0]=3 742 B13R1.107 CCc1c(cccc1C(=O)NC)Br 1626a_100102657272_100010125490 [0,1,0,0,0,0|2,0,0]=3 743 B13R1.107 CCc1c(cccc1C(=O)NC)Br 240690a_100102657272_100010125490 [0,1,0,0,0,0|2,0,0]=3 744 B13R1.107 CCc1c(cccc1C(=O)NC)Br 527a_100102657272_100010125490 [0,1,0,0,0,0|2,0,0]=3 745 B13R1.107 CNC(=O)c1cccc(c1C#N)F 240690a_100102657272_100000702252 [0,1,0,0,0,0|3,0,0]=4 746 B13R1.107 CNC(=O)c1cccc(c1C#N)F 527a_100102657272_100000702252 [0,1,0,0,0,0|3,0,0]=4 747 B13R1.107 CNC(=O)c1cccc(c1NC)C 34a_100000223168_200000210301 [0,1,0,0,0,0|2,0,0]=3 748 B13R1.107 CNC(=O)c1cccc(c1NC)Cl 34a_200012181065_200000210301 [0,1,0,0,0,0|2,0,0]=3 749 B13R1.107 CNC(=O)c1cccc(c1N[13CH3])C 34a_100000223168_200025704644 [0,1,0,0,0,0|2,0,0]=3 750 B13R1.107 CNC(=O)c1cccc(c1N[13CH3])Cl 34a_200012181065_200025704644 [0,1,0,0,0,0|2,0,0]=3 751 B13R1.107 CNC(=O)c1cccc(c1OC)Br 11a_106832991635_100000689802 [0,1,0,0,0,0|1,0,0]=2 752 B13R1.107 CNC(=O)c1cccc(c1OC)Br 1626a_100102657272_100000689802 [0,1,0,0,0,0|1,0,0]=2 753 B13R1.107 CNC(=O)c1cccc(c1OC)Br 240690a_100102657272_100000689802 [0,1,0,0,0,0|1,0,0]=2 754 B13R1.107 CNC(=O)c1cccc(c1OC)Br 527a_100102657272_100000689802 [0,1,0,0,0,0|1,0,0]=2 755 B13R1.107 CNC(=O)c1cccc(c1OC)C 11a_106832991635_100000187929 [0,1,0,0,0,0|1,0,0]=2 756 B13R1.107 CNC(=O)c1cccc(c1OC)C 1626a_100102657272_100000187929 [0,1,0,0,0,0|1,0,0]=2 757 B13R1.107 CNC(=O)c1cccc(c1OC)C 240690a_100102657272_100000187929 [0,1,0,0,0,0|1,0,0]=2 758 B13R1.107 CNC(=O)c1cccc(c1OC)C 527a_100102657272_100000187929 [0,1,0,0,0,0|1,0,0]=2 759 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 11a_106832991635_100011934004 [0,1,0,0,0,0|1,0,0]=2 760 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 1626a_100102657272_100011934004 [0,1,0,0,0,0|1,0,0]=2 761 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 240690a_100102657272_100011934004 [0,1,0,0,0,0|1,0,0]=2 762 B13R1.107 CNC(=O)c1cccc(c1OC)Cl 527a_100102657272_100011934004 [0,1,0,0,0,0|1,0,0]=2 763 B13R1.107 CNC(=O)c1cccc(c1OC)F 11a_106832991635_100011218433 [0,1,0,0,0,0|1,0,0]=2 764 B13R1.107 CNC(=O)c1cccc(c1OC)F 1626a_100102657272_100011218433 [0,1,0,0,0,0|1,0,0]=2 765 B13R1.107 CNC(=O)c1cccc(c1OC)F 240690a_100102657272_100011218433 [0,1,0,0,0,0|1,0,0]=2 766 B13R1.107 CNC(=O)c1cccc(c1OC)F 527a_100102657272_100011218433 [0,1,0,0,0,0|1,0,0]=2 767 B13R1.107 CNC(C)c1cccc(c1OC)Br 269862a_106832991636_100010725610 [0,1,0,0,0,0|2,0,1]=4 768 B13R1.107 CNC(C)c1cccc(c1OC)C 269862a_106832991636_100000101305 [0,1,0,0,0,0|2,0,1]=4 769 B13R1.107 CNC(C)c1cccc(c1OC)Cl 269862a_106832991636_100000090349 [0,1,0,0,0,0|2,0,1]=4 770 B13R1.107 CNC(C)c1cccc(c1OC)F 269862a_106832991636_100012017355 [0,1,0,0,0,0|2,0,1]=4 771 B13R1.107 COC(=O)c1cccc(c1C#N)O 271570a_203496583355_100000766541 [0,1,0,0,0,0|2,0,0]=3 772 B13R1.107 COC(=O)c1cccc(c1OC)Br 34a_100009816214_200000210301 [0,1,0,0,0,0|0,0,0]=1 773 B13R1.107 COC(=O)c1cccc(c1OC)C 34a_100000149854_200000210301 [0,1,0,0,0,0|0,0,0]=1 774 B13R1.107 COC(=O)c1cccc(c1OC)C 7a_100000149854_200000210301 [0,1,0,0,0,0|0,0,0]=1 775 B13R1.107 COC(=O)c1cccc(c1OC)Cl 34a_100000074923_200000210301 [0,1,0,0,0,0|0,0,0]=1 776 B13R1.107 COC(=O)c1cccc(c1OC)Cl 7a_100000074923_200000210301 [0,1,0,0,0,0|0,0,0]=1 777 B13R1.107 COC(=O)c1cccc(c1OC)F 34a_100000082593_200000210301 [0,1,0,0,0,0|0,0,0]=1 778 B13R1.107 COC(=O)c1cccc(c1OC)F 7a_100000082593_200000210301 [0,1,0,0,0,0|0,0,0]=1 779 B13R1.107 COC(=O)c1cccc(c1OC)N 34a_100000750886_200000210301 [0,1,0,0,0,0|0,0,0]=1 780 B13R1.107 COC(=O)c1cccc(c1OC)O 271570a_203496583355_100010233336 [0,1,0,0,0,0|0,0,0]=1 781 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Br 34a_100009816214_200025704644 [0,1,0,0,0,0|0,0,0]=1 782 B13R1.107 COC(=O)c1cccc(c1O[13CH3])C 34a_100000149854_200025704644 [0,1,0,0,0,0|0,0,0]=1 783 B13R1.107 COC(=O)c1cccc(c1O[13CH3])C 7a_100000149854_200025704644 [0,1,0,0,0,0|0,0,0]=1 784 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Cl 34a_100000074923_200025704644 [0,1,0,0,0,0|0,0,0]=1 785 B13R1.107 COC(=O)c1cccc(c1O[13CH3])Cl 7a_100000074923_200025704644 [0,1,0,0,0,0|0,0,0]=1 786 B13R1.107 COC(=O)c1cccc(c1O[13CH3])F 34a_100000082593_200025704644 [0,1,0,0,0,0|0,0,0]=1 787 B13R1.107 COC(=O)c1cccc(c1O[13CH3])F 7a_100000082593_200025704644 [0,1,0,0,0,0|0,0,0]=1 788 B13R1.107 COC(=O)c1cccc(c1O[13CH3])N 34a_100000750886_200025704644 [0,1,0,0,0,0|0,0,0]=1 789 B13R1.107 COC(=O)c1cccc(c1SC)Br 62a_100010150843_200000210301 [0,1,0,0,0,0|0,1,0]=2 790 B13R1.107 COC(=O)c1cccc(c1SC)Br 62a_200000210301_100010150843 [0,1,0,0,0,0|0,1,0]=2 791 B13R1.107 COC(=O)c1cccc(c1SC)C 62a_100012002529_200000210301 [0,1,0,0,0,0|0,1,0]=2 792 B13R1.107 COC(=O)c1cccc(c1SC)C 62a_200000210301_100012002529 [0,1,0,0,0,0|0,1,0]=2 793 B13R1.107 COC(=O)c1cccc(c1SC)F 62a_100012357630_200000210301 [0,1,0,0,0,0|0,1,0]=2 794 B13R1.107 COC(=O)c1cccc(c1SC)F 62a_200000210301_100012357630 [0,1,0,0,0,0|0,1,0]=2 795 B13R1.107 COC(=O)c1cccc(c1SC)N 62a_100000719424_200000210301 [0,1,0,0,0,0|0,1,0]=2 796 B13R1.107 COC(=O)c1cccc(c1SC)O 62a_200000210301_200010230364 [0,1,0,0,0,0|0,1,0]=2 797 B13R1.107 COC(=O)c1cccc(c1SC)O 62a_200010230364_200000210301 [0,1,0,0,0,0|0,1,0]=2 798 B13R1.107 COC(=O)c1cccc(c1S[13CH3])Br 62a_100010150843_200025704644 [0,1,0,0,0,0|0,1,0]=2 799 B13R1.107 COC(=O)c1cccc(c1S[13CH3])Br 62a_200025704644_100010150843 [0,1,0,0,0,0|0,1,0]=2 800 B13R1.107 COC(=O)c1cccc(c1S[13CH3])C 62a_100012002529_200025704644 [0,1,0,0,0,0|0,1,0]=2 801 B13R1.107 COC(=O)c1cccc(c1S[13CH3])C 62a_200025704644_100012002529 [0,1,0,0,0,0|0,1,0]=2 802 B13R1.107 COC(=O)c1cccc(c1S[13CH3])F 62a_100012357630_200025704644 [0,1,0,0,0,0|0,1,0]=2 803 B13R1.107 COC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012357630 [0,1,0,0,0,0|0,1,0]=2 804 B13R1.107 COC(=O)c1cccc(c1S[13CH3])N 62a_100000719424_200025704644 [0,1,0,0,0,0|0,1,0]=2 805 B13R1.107 COC(=O)c1cccc(c1S[13CH3])O 62a_200010230364_200025704644 [0,1,0,0,0,0|0,1,0]=2 806 B13R1.107 COC(=O)c1cccc(c1S[13CH3])O 62a_200025704644_200010230364 [0,1,0,0,0,0|0,1,0]=2 807 B13R1.107 COc1c(cccc1C(=O)CF)Br 1458a_100000689802_100015361967 [0,1,0,0,0,0|2,0,0]=3 808 B13R1.107 COc1c(cccc1C(=O)CF)C 1458a_100000187929_100015361967 [0,1,0,0,0,0|2,0,0]=3 809 B13R1.107 COc1c(cccc1C(=O)CF)Cl 1458a_100011934004_100015361967 [0,1,0,0,0,0|2,0,0]=3 810 B13R1.107 COc1c(cccc1C(=O)CF)F 1458a_100011218433_100015361967 [0,1,0,0,0,0|2,0,0]=3 811 B13R1.107 COc1c(cccc1C(=O)CF)O 1458a_100000080799_100015361967 [0,1,0,0,0,0|2,0,0]=3 812 B13R1.107 COc1c(cccc1C(=O)NN)C 34a_100000193353_200000210301 [0,1,0,0,0,0|2,0,0]=3 813 B13R1.107 CSc1c(cccc1C(=O)NN)C 62a_200000210301_200012340524 [0,1,0,0,0,0|2,1,0]=4 814 B13R1.107 CSc1c(cccc1C(=O)NN)C 62a_200012340524_200000210301 [0,1,0,0,0,0|2,1,0]=4 815 B13R1.107 Cc1cccc(c1O[13CH3])C(=O)NN 34a_100000193353_200025704644 [0,1,0,0,0,0|2,0,0]=3 816 B13R1.107 Cc1cccc(c1S[13CH3])C(=O)NN 62a_200012340524_200025704644 [0,1,0,0,0,0|2,1,0]=4 817 B13R1.107 Cc1cccc(c1S[13CH3])C(=O)NN 62a_200025704644_200012340524 [0,1,0,0,0,0|2,1,0]=4 818 B13R1.382 C=C=Cc1ccccc1C(=O)NC 271570a_100015277604_100000155073 [0,1,0,0,0,0|2,0,1]=4 819 B13R1.382 C=C=Cc1ccccc1C(=O)OC 271570a_100015277604_100000148710 [0,1,0,0,0,0|1,0,1]=3 820 B13R1.382 C=C=Cc1cccnc1C(=O)OC 271570a_100015277604_100011935214 [0,1,0,0,0,0|2,0,1]=4 821 B13R1.382 C=C=Cc1ccncc1C(=O)OC 271570a_100015277604_100020629055 [0,1,0,0,0,0|2,0,1]=4 822 B13R1.382 C=C=Cc1cnccc1C(=O)OC 271570a_100015277604_100010008606 [0,1,0,0,0,0|2,0,1]=4 823 B13R1.382 C=C=Cc1ncccc1C(=O)OC 271570a_100015277604_100000150852 [0,1,0,0,0,0|2,0,1]=4 824 B13R1.382 CC(=NO)c1ccccc1OCF 34a_100000164216_100015361967 [0,1,0,0,0,0|3,0,0]=4 825 B13R1.382 CC=Cc1ccccc1C(=O)NC 271570a_100016259895_100000155073 [0,1,0,0,0,0|2,0,0]=3 826 B13R1.382 CC=Cc1ccccc1C(=O)NN 271570a_100016259895_100000190081 [0,1,0,0,0,0|3,0,0]=4 827 B13R1.382 CC=Cc1ccccc1C(=O)OC 271570a_100016259895_100000148710 [0,1,0,0,0,0|1,0,0]=2 828 B13R1.382 CC=Cc1cccnc1C(=O)OC 271570a_100016259895_100011935214 [0,1,0,0,0,0|2,0,0]=3 829 B13R1.382 CC=Cc1ccncc1C(=O)OC 271570a_100016259895_100020629055 [0,1,0,0,0,0|2,0,0]=3 830 B13R1.382 CC=Cc1cnccc1C(=O)OC 271570a_100016259895_100010008606 [0,1,0,0,0,0|2,0,0]=3 831 B13R1.382 CC=Cc1cncnc1C(=O)OC 271570a_100016259895_100012360100 [0,1,0,0,0,0|3,0,0]=4 832 B13R1.382 CC=Cc1ncccc1C(=O)NC 271570a_100016259895_100000159833 [0,1,0,0,0,0|3,0,0]=4 833 B13R1.382 CC=Cc1ncccc1C(=O)OC 271570a_100016259895_100000150852 [0,1,0,0,0,0|2,0,0]=3 834 B13R1.382 CC=Cc1nccnc1C(=O)OC 271570a_100016259895_100000688410 [0,1,0,0,0,0|3,0,0]=4 835 B13R1.382 CC=Cc1ncncc1C(=O)OC 271570a_100016259895_100000726419 [0,1,0,0,0,0|3,0,0]=4 836 B13R1.382 CCC(=O)c1ccccc1CC#N 1458a_100000010604_100000210202 [0,1,0,0,0,0|2,0,1]=4 837 B13R1.382 CCC(=O)c1ccccc1COC 1458a_100000737999_100000210202 [0,1,0,0,0,0|1,0,0]=2 838 B13R1.382 CCC(=O)c1ccccc1N=[N+]=[N-] 1458a_100009827904_100000210202 [0,1,0,0,0,0|3,0,0]=4 839 B13R1.382 CCC(=O)c1ccccc1OCF 7a_100000184720_100015361967 [0,1,0,0,0,0|1,0,0]=2 840 B13R1.382 CCC(C)c1ccccc1OCF 7a_100000211618_100015361967 [0,1,0,0,0,0|2,0,1]=4 841 B13R1.382 CCNc1ccccc1C(=O)NC 27a_100015525214_100000155073 [0,1,0,0,0,0|2,0,0]=3 842 B13R1.382 CCNc1ccccc1C(=O)NC 34a_100000185696_100000210202 [0,1,0,0,0,0|2,0,0]=3 843 B13R1.382 CCNc1ncccc1C(=O)NC 27a_100015525214_100000159833 [0,1,0,0,0,0|3,0,0]=4 844 B13R1.382 CCNc1ncccc1C(=O)OC 27a_100015525214_100000150852 [0,1,0,0,0,0|2,0,0]=3 845 B13R1.382 CCNc1nccnc1C(=O)OC 27a_100015525214_100000079898 [0,1,0,0,0,0|3,0,0]=4 846 B13R1.382 CCNc1ncncc1C(=O)OC 27a_100015525214_100000726419 [0,1,0,0,0,0|3,0,0]=4 847 B13R1.382 CCOc1ccccc1C(=NO)C 34a_100000164216_100000210202 [0,1,0,0,0,0|3,0,0]=4 848 B13R1.382 CCOc1ccccc1C(=O)CBr 7a_100000188908_100000210202 [0,1,0,0,0,0|2,0,0]=3 849 B13R1.382 CCOc1ccccc1C(=O)CC 1458a_100000211144_100000210202 [0,1,0,0,0,0|1,0,0]=2 850 B13R1.382 CCOc1ccccc1C(=O)CC 7a_100000184720_100000210202 [0,1,0,0,0,0|1,0,0]=2 851 B13R1.382 CCOc1ccccc1C(=O)CF 1458a_100000211144_100015361967 [0,1,0,0,0,0|2,0,0]=3 852 B13R1.382 CCOc1ccccc1C(=O)NC 11a_106832991635_100000211144 [0,1,0,0,0,0|1,0,0]=2 853 B13R1.382 CCOc1ccccc1C(=O)NC 1626a_100102657272_100000211144 [0,1,0,0,0,0|1,0,0]=2 854 B13R1.382 CCOc1ccccc1C(=O)NC 240690a_100102657272_100000211144 [0,1,0,0,0,0|1,0,0]=2 855 B13R1.382 CCOc1ccccc1C(=O)NC 34a_100000185920_100000210202 [0,1,0,0,0,0|1,0,0]=2 856 B13R1.382 CCOc1ccccc1C(=O)NC 527a_100102657272_100000211144 [0,1,0,0,0,0|1,0,0]=2 857 B13R1.382 CCOc1ccccc1C(=O)NC 7a_100000185920_100000210202 [0,1,0,0,0,0|1,0,0]=2 858 B13R1.382 CCOc1ccccc1C(=O)NN 34a_100000186518_100000210202 [0,1,0,0,0,0|2,0,0]=3 859 B13R1.382 CCOc1ccccc1C(=O)NO 34a_100000188472_100000210202 [0,1,0,0,0,0|2,0,0]=3 860 B13R1.382 CCOc1ccccc1C(=O)OC 7a_100000150335_100000210202 [0,1,0,0,0,0|0,0,0]=1 861 B13R1.382 CCOc1ccccc1C(C)CC 7a_100000211618_100000210202 [0,1,0,0,0,0|2,0,1]=4 862 B13R1.382 CCOc1ccccc1C(C)NC 2230a_100000737537_200000210301 [0,1,0,0,0,0|2,0,1]=4 863 B13R1.382 CCOc1ccccc1C(C)NC 269862a_106832991636_100000172999 [0,1,0,0,0,0|2,0,1]=4 864 B13R1.382 CCOc1ccccc1C(C)N[13CH3] 2230a_100000737537_200025704644 [0,1,0,0,0,0|2,0,1]=4 865 B13R1.382 CCOc1ccccc1C(C)OC 7a_100000246524_200000210301 [0,1,0,0,0,0|1,0,1]=3 866 B13R1.382 CCOc1ccccc1C(C)O[13CH3] 7a_100000246524_200025704644 [0,1,0,0,0,0|1,0,1]=3 867 B13R1.382 CCOc1cccnc1C(=O)NC 34a_100011376092_100000210202 [0,1,0,0,0,0|2,0,0]=3 868 B13R1.382 CCOc1cccnc1C(=O)NC 7a_100011376092_100000210202 [0,1,0,0,0,0|2,0,0]=3 869 B13R1.382 CCOc1cccnc1C(=O)OC 34a_100000744052_100000210202 [0,1,0,0,0,0|1,0,0]=2 870 B13R1.382 CCOc1cccnc1C(=O)OC 7a_100000744052_100000210202 [0,1,0,0,0,0|1,0,0]=2 871 B13R1.382 CCSc1ccccc1C(=O)CC 1458a_100000195471_100000210202 [0,1,0,0,0,0|1,1,0]=3 872 B13R1.382 CCSc1ccccc1C(=O)CF 1458a_100000195471_100015361967 [0,1,0,0,0,0|2,1,0]=4 873 B13R1.382 CCSc1ccccc1C(=O)NC 11a_106832991635_100000195471 [0,1,0,0,0,0|1,1,0]=3 874 B13R1.382 CCSc1ccccc1C(=O)NC 1626a_100102657272_100000195471 [0,1,0,0,0,0|1,1,0]=3 875 B13R1.382 CCSc1ccccc1C(=O)NC 240690a_100102657272_100000195471 [0,1,0,0,0,0|1,1,0]=3 876 B13R1.382 CCSc1ccccc1C(=O)NC 527a_100102657272_100000195471 [0,1,0,0,0,0|1,1,0]=3 877 B13R1.382 CCSc1ccccc1C(=O)NC 62a_100000155073_100000210202 [0,1,0,0,0,0|1,1,0]=3 878 B13R1.382 CCSc1ccccc1C(=O)NC 62a_100000210202_100000155073 [0,1,0,0,0,0|1,1,0]=3 879 B13R1.382 CCSc1ccccc1C(=O)NN 62a_100000190081_100000210202 [0,1,0,0,0,0|2,1,0]=4 880 B13R1.382 CCSc1ccccc1C(=O)NN 62a_100000210202_100000190081 [0,1,0,0,0,0|2,1,0]=4 881 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000148710_100000210202 [0,1,0,0,0,0|0,1,0]=2 882 B13R1.382 CCSc1ccccc1C(=O)OC 62a_100000210202_100000148710 [0,1,0,0,0,0|0,1,0]=2 883 B13R1.382 CCSc1ccccc1C(=O)O[Na] 62a_100000210202_114855342371 [0,1,0,0,0,0|1,1,0]=3 884 B13R1.382 CCSc1cccnc1C(=O)OC 62a_100000210202_100011935214 [0,1,0,0,0,0|1,1,0]=3 885 B13R1.382 CCSc1cccnc1C(=O)OC 62a_100011935214_100000210202 [0,1,0,0,0,0|1,1,0]=3 886 B13R1.382 CCSc1ccncc1C(=O)OC 62a_100000210202_100020629055 [0,1,0,0,0,0|1,1,0]=3 887 B13R1.382 CCSc1ccncc1C(=O)OC 62a_100020629055_100000210202 [0,1,0,0,0,0|1,1,0]=3 888 B13R1.382 CCSc1cnccc1C(=O)OC 62a_100000210202_100010008606 [0,1,0,0,0,0|1,1,0]=3 889 B13R1.382 CCSc1cnccc1C(=O)OC 62a_100010008606_100000210202 [0,1,0,0,0,0|1,1,0]=3 890 B13R1.382 CCSc1cncnc1C(=O)OC 62a_100000210202_100012360100 [0,1,0,0,0,0|2,1,0]=4 891 B13R1.382 CCSc1cncnc1C(=O)OC 62a_100012360100_100000210202 [0,1,0,0,0,0|2,1,0]=4 892 B13R1.382 CCSc1ncccc1C(=O)NC 62a_100000159833_100000210202 [0,1,0,0,0,0|2,1,0]=4 893 B13R1.382 CCSc1ncccc1C(=O)NC 62a_100000210202_100000159833 [0,1,0,0,0,0|2,1,0]=4 894 B13R1.382 CCSc1ncccc1C(=O)OC 62a_100000210202_100000150852 [0,1,0,0,0,0|1,1,0]=3 895 B13R1.382 CCSc1ncccc1C(=O)OC 62a_100011587185_100000210202 [0,1,0,0,0,0|1,1,0]=3 896 B13R1.382 CCSc1nccnc1C(=O)OC 62a_100000210202_100000079898 [0,1,0,0,0,0|2,1,0]=4 897 B13R1.382 CCSc1nccnc1C(=O)OC 62a_100000688410_100000210202 [0,1,0,0,0,0|2,1,0]=4 898 B13R1.382 CCSc1ncncc1C(=O)OC 62a_100000210202_100000726419 [0,1,0,0,0,0|2,1,0]=4 899 B13R1.382 CCSc1ncncc1C(=O)OC 62a_100000726419_100000210202 [0,1,0,0,0,0|2,1,0]=4 900 B13R1.382 CNC(=O)c1ccccc1CC#N 11a_106832991635_100000010604 [0,1,0,0,0,0|2,0,1]=4 901 B13R1.382 CNC(=O)c1ccccc1CC#N 1626a_100102657272_100000010604 [0,1,0,0,0,0|2,0,1]=4 902 B13R1.382 CNC(=O)c1ccccc1COC 11a_106832991635_100000737999 [0,1,0,0,0,0|1,0,0]=2 903 B13R1.382 CNC(=O)c1ccccc1COC 1626a_100102657272_100000737999 [0,1,0,0,0,0|1,0,0]=2 904 B13R1.382 CNC(=O)c1ccccc1COC 240690a_100102657272_100000737999 [0,1,0,0,0,0|1,0,0]=2 905 B13R1.382 CNC(=O)c1ccccc1COC 34a_100009855793_200000210301 [0,1,0,0,0,0|1,0,0]=2 906 B13R1.382 CNC(=O)c1ccccc1COC 527a_100102657272_100000737999 [0,1,0,0,0,0|1,0,0]=2 907 B13R1.382 CNC(=O)c1ccccc1COC 7a_100009855793_200000210301 [0,1,0,0,0,0|1,0,0]=2 908 B13R1.382 CNC(=O)c1ccccc1CO[13CH3] 34a_100009855793_200025704644 [0,1,0,0,0,0|1,0,0]=2 909 B13R1.382 CNC(=O)c1ccccc1CO[13CH3] 7a_100009855793_200025704644 [0,1,0,0,0,0|1,0,0]=2 910 B13R1.382 CNC(=O)c1ccccc1N=[N+]=[N-] 240690a_100102657272_100009827904 [0,1,0,0,0,0|3,0,0]=4 911 B13R1.382 CNC(=O)c1ccccc1NCF 34a_100000185696_100015361967 [0,1,0,0,0,0|2,0,0]=3 912 B13R1.382 CNC(=O)c1ccccc1OCF 34a_100000185920_100015361967 [0,1,0,0,0,0|1,0,0]=2 913 B13R1.382 CNC(=O)c1ccccc1OCF 7a_100000185920_100015361967 [0,1,0,0,0,0|1,0,0]=2 914 B13R1.382 CNC(=O)c1ccccc1SCF 62a_100000155073_100015361967 [0,1,0,0,0,0|1,1,0]=3 915 B13R1.382 CNC(=O)c1ccccc1SCF 62a_100015361967_100000155073 [0,1,0,0,0,0|1,1,0]=3 916 B13R1.382 CNC(=O)c1cccnc1SCF 62a_100000159833_100015361967 [0,1,0,0,0,0|2,1,0]=4 917 B13R1.382 CNC(=O)c1cccnc1SCF 62a_100015361967_100000159833 [0,1,0,0,0,0|2,1,0]=4 918 B13R1.382 CNC(=O)c1ncccc1OCF 34a_100011376092_100015361967 [0,1,0,0,0,0|2,0,0]=3 919 B13R1.382 CNC(=O)c1ncccc1OCF 7a_100011376092_100015361967 [0,1,0,0,0,0|2,0,0]=3 920 B13R1.382 CNCc1ccccc1C(=O)OC 2230a_106832991635_100000744672 [0,1,0,0,0,0|1,0,0]=2 921 B13R1.382 CNCc1ccccc1C(=O)OC 34a_100102657272_100000744672 [0,1,0,0,0,0|1,0,0]=2 922 B13R1.382 CNCc1ccccc1C(=O)OC 7a_106832991635_100000744672 [0,1,0,0,0,0|1,0,0]=2 923 B13R1.382 CNCc1cccnc1C(=O)OC 2230a_106832991635_100010177730 [0,1,0,0,0,0|2,0,0]=3 924 B13R1.382 CNCc1cccnc1C(=O)OC 34a_100102657272_100010177730 [0,1,0,0,0,0|2,0,0]=3 925 B13R1.382 CNCc1cccnc1C(=O)OC 7a_106832991635_100010177730 [0,1,0,0,0,0|2,0,0]=3 926 B13R1.382 CNCc1ncccc1C(=O)OC 2230a_106832991635_100000709840 [0,1,0,0,0,0|2,0,0]=3 927 B13R1.382 CNCc1ncccc1C(=O)OC 34a_100102657272_100012347567 [0,1,0,0,0,0|2,0,0]=3 928 B13R1.382 CNCc1ncccc1C(=O)OC 7a_106832991635_100000709840 [0,1,0,0,0,0|2,0,0]=3 929 B13R1.382 COC(=O)c1ccccc1CSC 62a_100000744672_200000210301 [0,1,0,0,0,0|0,1,0]=2 930 B13R1.382 COC(=O)c1ccccc1CSC 62a_200000210301_100000744672 [0,1,0,0,0,0|0,1,0]=2 931 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_100000744672_200025704644 [0,1,0,0,0,0|0,1,0]=2 932 B13R1.382 COC(=O)c1ccccc1CS[13CH3] 62a_200025704644_100000744672 [0,1,0,0,0,0|0,1,0]=2 933 B13R1.382 COC(=O)c1ccccc1OCF 7a_100000150335_100015361967 [0,1,0,0,0,0|0,0,0]=1 934 B13R1.382 COC(=O)c1ccccc1SCF 62a_100000148710_100015361967 [0,1,0,0,0,0|0,1,0]=2 935 B13R1.382 COC(=O)c1ccccc1SCF 62a_100015361967_100000148710 [0,1,0,0,0,0|0,1,0]=2 936 B13R1.382 COC(=O)c1cccnc1CSC 62a_100000709840_200000210301 [0,1,0,0,0,0|1,1,0]=3 937 B13R1.382 COC(=O)c1cccnc1CSC 62a_200000210301_100000709840 [0,1,0,0,0,0|1,1,0]=3 938 B13R1.382 COC(=O)c1cccnc1CS[13CH3] 62a_100000709840_200025704644 [0,1,0,0,0,0|1,1,0]=3 939 B13R1.382 COC(=O)c1cccnc1CS[13CH3] 62a_200025704644_100000709840 [0,1,0,0,0,0|1,1,0]=3 940 B13R1.382 COC(=O)c1cccnc1SCF 62a_100011587185_100015361967 [0,1,0,0,0,0|1,1,0]=3 941 B13R1.382 COC(=O)c1cccnc1SCF 62a_100015361967_100000150852 [0,1,0,0,0,0|1,1,0]=3 942 B13R1.382 COC(=O)c1ccncc1SCF 62a_100010008606_100015361967 [0,1,0,0,0,0|1,1,0]=3 943 B13R1.382 COC(=O)c1ccncc1SCF 62a_100015361967_100010008606 [0,1,0,0,0,0|1,1,0]=3 944 B13R1.382 COC(=O)c1cnccc1SCF 62a_100015361967_100020629055 [0,1,0,0,0,0|1,1,0]=3 945 B13R1.382 COC(=O)c1cnccc1SCF 62a_100020629055_100015361967 [0,1,0,0,0,0|1,1,0]=3 946 B13R1.382 COC(=O)c1cncnc1SCF 62a_100000726419_100015361967 [0,1,0,0,0,0|2,1,0]=4 947 B13R1.382 COC(=O)c1cncnc1SCF 62a_100015361967_100000726419 [0,1,0,0,0,0|2,1,0]=4 948 B13R1.382 COC(=O)c1ncccc1CSC 62a_100010177730_200000210301 [0,1,0,0,0,0|1,1,0]=3 949 B13R1.382 COC(=O)c1ncccc1CSC 62a_200000210301_100010177730 [0,1,0,0,0,0|1,1,0]=3 950 B13R1.382 COC(=O)c1ncccc1CS[13CH3] 62a_100010177730_200025704644 [0,1,0,0,0,0|1,1,0]=3 951 B13R1.382 COC(=O)c1ncccc1CS[13CH3] 62a_200025704644_100010177730 [0,1,0,0,0,0|1,1,0]=3 952 B13R1.382 COC(=O)c1ncccc1OCF 34a_100000744052_100015361967 [0,1,0,0,0,0|1,0,0]=2 953 B13R1.382 COC(=O)c1ncccc1OCF 7a_100000744052_100015361967 [0,1,0,0,0,0|1,0,0]=2 954 B13R1.382 COC(=O)c1ncccc1SCF 62a_100011935214_100015361967 [0,1,0,0,0,0|1,1,0]=3 955 B13R1.382 COC(=O)c1ncccc1SCF 62a_100015361967_100011935214 [0,1,0,0,0,0|1,1,0]=3 956 B13R1.382 COC(=O)c1nccnc1SCF 62a_100000688410_100015361967 [0,1,0,0,0,0|2,1,0]=4 957 B13R1.382 COC(=O)c1nccnc1SCF 62a_100015361967_100000079898 [0,1,0,0,0,0|2,1,0]=4 958 B13R1.382 COC(=O)c1ncncc1SCF 62a_100012360100_100015361967 [0,1,0,0,0,0|2,1,0]=4 959 B13R1.382 COC(=O)c1ncncc1SCF 62a_100015361967_100012360100 [0,1,0,0,0,0|2,1,0]=4 960 B13R1.382 COCc1ccccc1C(=O)CF 1458a_100000737999_100015361967 [0,1,0,0,0,0|2,0,0]=3 961 B13R1.382 COCc1ccccc1C(=O)OC 34a_100138415774_100000744672 [0,1,0,0,0,0|0,0,0]=1 962 B13R1.382 COCc1cccnc1C(=O)OC 34a_100138415774_100010177730 [0,1,0,0,0,0|1,0,0]=2 963 B13R1.382 COCc1ncccc1C(=O)OC 34a_100138415774_100012347567 [0,1,0,0,0,0|1,0,0]=2 964 B13R1.382 NNC(=O)c1ccccc1OCF 34a_100000186518_100015361967 [0,1,0,0,0,0|2,0,0]=3 965 B13R1.382 NNC(=O)c1ccccc1SCF 62a_100000190081_100015361967 [0,1,0,0,0,0|2,1,0]=4 966 B13R1.382 NNC(=O)c1ccccc1SCF 62a_100015361967_100000190081 [0,1,0,0,0,0|2,1,0]=4 967 B13R1.382 O=C(CBr)c1ccccc1OCF 7a_100000188908_100015361967 [0,1,0,0,0,0|2,0,0]=3 968 B13R1.382 O=C(NO)c1ccccc1OCF 34a_100000188472_100015361967 [0,1,0,0,0,0|2,0,0]=3 969 B13R1.382 O=C(O[Na])c1ccccc1SCF 62a_100015361967_114855342371 [0,1,0,0,0,0|1,1,0]=3 970 B13R1.464 C#CCC(=O)c1ccccc1CC 1458a_100000689120_100000184674 [0,1,0,0,0,0|2,0,1]=4 971 B13R1.464 C#CCC(=O)c1ccccc1OC 1458a_100000185835_100000184674 [0,1,0,0,0,0|1,0,1]=3 972 B13R1.464 C#CCC(=O)c1ccccc1SC 1458a_100000183967_100000184674 [0,1,0,0,0,0|1,1,1]=4 973 B13R1.464 C#Cc1ccccc1C(=O)CCC 1458a_100011243808_100000210303 [0,1,0,0,0,0|2,0,1]=4 974 B13R1.464 C#Cc1ccccc1C(=O)CCF 1458a_100011243808_100011217306 [0,1,0,0,0,0|2,0,1]=4 975 B13R1.464 C#Cc1ccccc1C(=O)CCO 1458a_100011243808_100000211926 [0,1,0,0,0,0|2,0,1]=4 976 B13R1.464 C#Cc1ccccc1C(=O)NCC 527a_100015525214_100011243808 [0,1,0,0,0,0|2,0,1]=4 977 B13R1.464 C#Cc1ccccc1C(=O)NNC 22a_100016993582_100011243808 [0,1,0,0,0,0|2,0,1]=4 978 B13R1.464 C=CCC(=O)c1ccccc1CC 1458a_100000689120_100000210623 [0,1,0,0,0,0|2,0,1]=4 979 B13R1.464 C=CCC(=O)c1ccccc1OC 1458a_100000185835_100000210623 [0,1,0,0,0,0|1,0,1]=3 980 B13R1.464 C=CCC(=O)c1ccccc1SC 1458a_100000183967_100000210623 [0,1,0,0,0,0|1,1,1]=4 981 B13R1.464 C=COC(=O)c1ccccc1SC 62a_200000036168_200000210301 [0,1,0,0,0,0|0,1,1]=3 982 B13R1.464 C=COC(=O)c1ccccc1SC 62a_200000210301_200000036168 [0,1,0,0,0,0|0,1,1]=3 983 B13R1.464 C=COC(=O)c1ccccc1S[13CH3] 62a_200000036168_200025704644 [0,1,0,0,0,0|0,1,1]=3 984 B13R1.464 C=COC(=O)c1ccccc1S[13CH3] 62a_200025704644_200000036168 [0,1,0,0,0,0|0,1,1]=3 985 B13R1.464 C=Cc1ccccc1C(=O)CCC 1458a_100011830265_100000210303 [0,1,0,0,0,0|2,0,1]=4 986 B13R1.464 C=Cc1ccccc1C(=O)CCF 1458a_100011830265_100011217306 [0,1,0,0,0,0|2,0,1]=4 987 B13R1.464 C=Cc1ccccc1C(=O)CCO 1458a_100011830265_100000211926 [0,1,0,0,0,0|2,0,1]=4 988 B13R1.464 C=Cc1ccccc1C(=O)NCC 271570a_100011290941_200000155173 [0,1,0,0,0,0|2,0,1]=4 989 B13R1.464 C=Cc1ccccc1C(=O)NNC 22a_100016993582_100011830265 [0,1,0,0,0,0|2,0,1]=4 990 B13R1.464 C=Cc1ccccc1C(=O)OCC 271570a_100011290941_100000169879 [0,1,0,0,0,0|1,0,1]=3 991 B13R1.464 C=Cc1cccnc1C(=O)OCC 271570a_100011290941_100012351660 [0,1,0,0,0,0|2,0,1]=4 992 B13R1.464 C=Cc1ccncc1C(=O)OCC 271570a_100011290941_100016987518 [0,1,0,0,0,0|2,0,1]=4 993 B13R1.464 C=Cc1cnccc1C(=O)OCC 271570a_100011290941_100010238393 [0,1,0,0,0,0|2,0,1]=4 994 B13R1.464 C=Cc1ncccc1C(=O)OCC 271570a_100011290941_100000170124 [0,1,0,0,0,0|2,0,1]=4 995 B13R1.464 CCCC(=O)c1ccccc1C#N 1458a_100000742908_100000210303 [0,1,0,0,0,0|3,0,0]=4 996 B13R1.464 CCCC(=O)c1ccccc1CC 1458a_100000689120_100000210303 [0,1,0,0,0,0|2,0,0]=3 997 B13R1.464 CCCC(=O)c1ccccc1CO 1458a_100011301526_100000210303 [0,1,0,0,0,0|3,0,0]=4 998 B13R1.464 CCCC(=O)c1ccccc1I=O 1458a_100000032414_100000210303 [0,1,0,0,0,0|3,0,0]=4 999 B13R1.464 CCCC(=O)c1ccccc1OC 1458a_100000185835_100000210303 [0,1,0,0,0,0|1,0,0]=2 1000 B13R1.464 CCCC(=O)c1ccccc1OC 34a_200000073644_200000210301 [0,1,0,0,0,0|1,0,0]=2 1001 B13R1.464 CCCC(=O)c1ccccc1OC 7a_200000073644_200000210301 [0,1,0,0,0,0|1,0,0]=2 1002 B13R1.464 CCCC(=O)c1ccccc1O[13CH3] 34a_200000073644_200025704644 [0,1,0,0,0,0|1,0,0]=2 1003 B13R1.464 CCCC(=O)c1ccccc1O[13CH3] 7a_200000073644_200025704644 [0,1,0,0,0,0|1,0,0]=2 1004 B13R1.464 CCCC(=O)c1ccccc1SC 1458a_100000183967_100000210303 [0,1,0,0,0,0|1,1,0]=3 1005 B13R1.464 CCCN(C)c1ccccc1OC 2230a_100000219746_100000210303 [0,1,0,0,0,0|3,0,0]=4 1006 B13R1.464 CCCN(C)c1ccccc1OC 269982a_100000219746_100000210303 [0,1,0,0,0,0|3,0,0]=4 1007 B13R1.464 CCCN(C)c1ccccc1OC 34a_100000219746_100000210303 [0,1,0,0,0,0|3,0,0]=4 1008 B13R1.464 CCNC(=O)c1ccccc1C#N 11a_100015525214_100000742908 [0,1,0,0,0,0|3,0,0]=4 1009 B13R1.464 CCNC(=O)c1ccccc1C#N 527a_100015525214_100000742908 [0,1,0,0,0,0|3,0,0]=4 1010 B13R1.464 CCNC(=O)c1ccccc1CC 11a_100015525214_100000689120 [0,1,0,0,0,0|2,0,0]=3 1011 B13R1.464 CCNC(=O)c1ccccc1CC 240690a_100015525214_100000689120 [0,1,0,0,0,0|2,0,0]=3 1012 B13R1.464 CCNC(=O)c1ccccc1CC 527a_100015525214_100000689120 [0,1,0,0,0,0|2,0,0]=3 1013 B13R1.464 CCNC(=O)c1ccccc1I=O 240690a_100015525214_100000032414 [0,1,0,0,0,0|3,0,0]=4 1014 B13R1.464 CCNC(=O)c1ccccc1I=O 527a_100015525214_100000032414 [0,1,0,0,0,0|3,0,0]=4 1015 B13R1.464 CCNC(=O)c1ccccc1NC 27a_100102657272_200000155173 [0,1,0,0,0,0|2,0,0]=3 1016 B13R1.464 CCNC(=O)c1ccccc1NC 34a_100000205978_200000210301 [0,1,0,0,0,0|2,0,0]=3 1017 B13R1.464 CCNC(=O)c1ccccc1N[13CH3] 34a_100000205978_200025704644 [0,1,0,0,0,0|2,0,0]=3 1018 B13R1.464 CCNC(=O)c1ccccc1OC 11a_100015525214_100000185835 [0,1,0,0,0,0|1,0,0]=2 1019 B13R1.464 CCNC(=O)c1ccccc1OC 240690a_100015525214_100000185835 [0,1,0,0,0,0|1,0,0]=2 1020 B13R1.464 CCNC(=O)c1ccccc1OC 34a_100000192205_200000210301 [0,1,0,0,0,0|1,0,0]=2 1021 B13R1.464 CCNC(=O)c1ccccc1OC 527a_100015525214_100000185835 [0,1,0,0,0,0|1,0,0]=2 1022 B13R1.464 CCNC(=O)c1ccccc1OC 7a_100000192205_200000210301 [0,1,0,0,0,0|1,0,0]=2 1023 B13R1.464 CCNC(=O)c1ccccc1O[13CH3] 34a_100000192205_200025704644 [0,1,0,0,0,0|1,0,0]=2 1024 B13R1.464 CCNC(=O)c1ccccc1O[13CH3] 7a_100000192205_200025704644 [0,1,0,0,0,0|1,0,0]=2 1025 B13R1.464 CCNC(=O)c1ccccc1SC 11a_100015525214_100000183967 [0,1,0,0,0,0|1,1,0]=3 1026 B13R1.464 CCNC(=O)c1ccccc1SC 240690a_100015525214_100000183967 [0,1,0,0,0,0|1,1,0]=3 1027 B13R1.464 CCNC(=O)c1ccccc1SC 527a_100015525214_100000183967 [0,1,0,0,0,0|1,1,0]=3 1028 B13R1.464 CCNC(=O)c1ccccc1SC 62a_200000155173_200000210301 [0,1,0,0,0,0|1,1,0]=3 1029 B13R1.464 CCNC(=O)c1ccccc1SC 62a_200000210301_200000155173 [0,1,0,0,0,0|1,1,0]=3 1030 B13R1.464 CCNC(=O)c1ccccc1S[13CH3] 62a_200000155173_200025704644 [0,1,0,0,0,0|1,1,0]=3 1031 B13R1.464 CCNC(=O)c1ccccc1S[13CH3] 62a_200025704644_200000155173 [0,1,0,0,0,0|1,1,0]=3 1032 B13R1.464 CCNC(=O)c1cccnc1NC 27a_100102657272_100000160120 [0,1,0,0,0,0|3,0,0]=4 1033 B13R1.464 CCNC(=O)c1cccnc1SC 62a_200000210301_100000160120 [0,1,0,0,0,0|2,1,0]=4 1034 B13R1.464 CCNC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000160120 [0,1,0,0,0,0|2,1,0]=4 1035 B13R1.464 CCNC(C)c1ccccc1OC 2230a_100000185323_100000210202 [0,1,0,0,0,0|2,0,1]=4 1036 B13R1.464 CCNC(C)c1ccccc1OC 269862a_100015525214_100000173324 [0,1,0,0,0,0|2,0,1]=4 1037 B13R1.464 CCOC(=O)c1ccccc1OC 7a_100000169922_200000210301 [0,1,0,0,0,0|0,0,0]=1 1038 B13R1.464 CCOC(=O)c1ccccc1O[13CH3] 7a_100000169922_200025704644 [0,1,0,0,0,0|0,0,0]=1 1039 B13R1.464 CCOC(=O)c1ccccc1SC 62a_100000169876_200000210301 [0,1,0,0,0,0|0,1,0]=2 1040 B13R1.464 CCOC(=O)c1ccccc1SC 62a_200000210301_100000169879 [0,1,0,0,0,0|0,1,0]=2 1041 B13R1.464 CCOC(=O)c1ccccc1S[13CH3] 62a_100000169876_200025704644 [0,1,0,0,0,0|0,1,0]=2 1042 B13R1.464 CCOC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000169879 [0,1,0,0,0,0|0,1,0]=2 1043 B13R1.464 CCOC(=O)c1cccnc1NC 27a_100102657272_100000170124 [0,1,0,0,0,0|2,0,0]=3 1044 B13R1.464 CCOC(=O)c1cccnc1SC 62a_100011291640_200000210301 [0,1,0,0,0,0|1,1,0]=3 1045 B13R1.464 CCOC(=O)c1cccnc1SC 62a_200000210301_100000170124 [0,1,0,0,0,0|1,1,0]=3 1046 B13R1.464 CCOC(=O)c1cccnc1S[13CH3] 62a_100011291640_200025704644 [0,1,0,0,0,0|1,1,0]=3 1047 B13R1.464 CCOC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000170124 [0,1,0,0,0,0|1,1,0]=3 1048 B13R1.464 CCOC(=O)c1ccncc1SC 62a_100010238393_200000210301 [0,1,0,0,0,0|1,1,0]=3 1049 B13R1.464 CCOC(=O)c1ccncc1SC 62a_200000210301_100010238393 [0,1,0,0,0,0|1,1,0]=3 1050 B13R1.464 CCOC(=O)c1ccncc1S[13CH3] 62a_100010238393_200025704644 [0,1,0,0,0,0|1,1,0]=3 1051 B13R1.464 CCOC(=O)c1ccncc1S[13CH3] 62a_200025704644_100010238393 [0,1,0,0,0,0|1,1,0]=3 1052 B13R1.464 CCOC(=O)c1cnccc1NC 27a_100102657272_100016987518 [0,1,0,0,0,0|2,0,0]=3 1053 B13R1.464 CCOC(=O)c1cnccc1SC 62a_200000210301_100016987518 [0,1,0,0,0,0|1,1,0]=3 1054 B13R1.464 CCOC(=O)c1cnccc1S[13CH3] 62a_200025704644_100016987518 [0,1,0,0,0,0|1,1,0]=3 1055 B13R1.464 CCOC(=O)c1cncnc1NC 27a_100102657272_100011998183 [0,1,0,0,0,0|3,0,0]=4 1056 B13R1.464 CCOC(=O)c1cncnc1SC 62a_200000210301_100011998183 [0,1,0,0,0,0|2,1,0]=4 1057 B13R1.464 CCOC(=O)c1cncnc1S[13CH3] 62a_200025704644_100011998183 [0,1,0,0,0,0|2,1,0]=4 1058 B13R1.464 CCOC(=O)c1ncccc1OC 7a_200011376064_200000210301 [0,1,0,0,0,0|1,0,0]=2 1059 B13R1.464 CCOC(=O)c1ncccc1O[13CH3] 7a_200011376064_200025704644 [0,1,0,0,0,0|1,0,0]=2 1060 B13R1.464 CCOC(=O)c1ncccc1SC 62a_100012351660_200000210301 [0,1,0,0,0,0|1,1,0]=3 1061 B13R1.464 CCOC(=O)c1ncccc1SC 62a_200000210301_100012351660 [0,1,0,0,0,0|1,1,0]=3 1062 B13R1.464 CCOC(=O)c1ncccc1S[13CH3] 62a_100012351660_200025704644 [0,1,0,0,0,0|1,1,0]=3 1063 B13R1.464 CCOC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012351660 [0,1,0,0,0,0|1,1,0]=3 1064 B13R1.464 CCOC(=O)c1nccnc1NC 27a_100102657272_100000085455 [0,1,0,0,0,0|3,0,0]=4 1065 B13R1.464 CCOC(=O)c1nccnc1SC 62a_200000210301_100000085455 [0,1,0,0,0,0|2,1,0]=4 1066 B13R1.464 CCOC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000085455 [0,1,0,0,0,0|2,1,0]=4 1067 B13R1.464 CCOC(=O)c1ncncc1NC 27a_100102657272_100012344254 [0,1,0,0,0,0|3,0,0]=4 1068 B13R1.464 CCOC(=O)c1ncncc1SC 62a_100012344254_200000210301 [0,1,0,0,0,0|2,1,0]=4 1069 B13R1.464 CCOC(=O)c1ncncc1SC 62a_200000210301_100012344254 [0,1,0,0,0,0|2,1,0]=4 1070 B13R1.464 CCOC(=O)c1ncncc1S[13CH3] 62a_100012344254_200025704644 [0,1,0,0,0,0|2,1,0]=4 1071 B13R1.464 CCOC(=O)c1ncncc1S[13CH3] 62a_200025704644_100012344254 [0,1,0,0,0,0|2,1,0]=4 1072 B13R1.464 CCOC(C)c1ccccc1OC 7a_100000742714_100000210202 [0,1,0,0,0,0|1,0,1]=3 1073 B13R1.464 CCc1ccccc1C(=O)CC#N 1458a_100000689120_100011214920 [0,1,0,0,0,0|2,0,1]=4 1074 B13R1.464 CCc1ccccc1C(=O)CCF 1458a_100000689120_100011217306 [0,1,0,0,0,0|2,0,0]=3 1075 B13R1.464 CCc1ccccc1C(=O)CCO 1458a_100000689120_100000211926 [0,1,0,0,0,0|2,0,0]=3 1076 B13R1.464 CCc1ccccc1C(=O)NNC 22a_100016993582_100000689120 [0,1,0,0,0,0|2,0,0]=3 1077 B13R1.464 CNCC(=O)c1ccccc1OC 34a_100102657272_100000195505 [0,1,0,0,0,0|1,0,0]=2 1078 B13R1.464 CNCC(=O)c1ccccc1OC 7a_106832991635_100000195505 [0,1,0,0,0,0|1,0,0]=2 1079 B13R1.464 CNNC(=O)c1ccccc1C#N 22a_100016993582_100000742908 [0,1,0,0,0,0|3,0,0]=4 1080 B13R1.464 CNNC(=O)c1ccccc1I=O 22a_100016993582_100000032414 [0,1,0,0,0,0|3,0,0]=4 1081 B13R1.464 CNNC(=O)c1ccccc1OC 22a_100016993582_100000185835 [0,1,0,0,0,0|1,0,0]=2 1082 B13R1.464 CNNC(=O)c1ccccc1SC 22a_100016993582_100000183967 [0,1,0,0,0,0|1,1,0]=3 1083 B13R1.464 CNc1ccccc1C(=O)NOC 34a_100011599994_200000210301 [0,1,0,0,0,0|1,0,0]=2 1084 B13R1.464 COCC(=O)c1ccccc1OC 34a_100138415774_100000195505 [0,1,0,0,0,0|0,0,0]=1 1085 B13R1.464 COCC(N)c1ccccc1OC 34a_100000756845_200000210301 [0,1,0,0,0,0|1,0,1]=3 1086 B13R1.464 COCN(C)c1ccccc1OC 2230a_100000219746_100000766300 [0,1,0,0,0,0|2,0,0]=3 1087 B13R1.464 COCN(C)c1ccccc1OC 269982a_100000219746_100000766300 [0,1,0,0,0,0|2,0,0]=3 1088 B13R1.464 CONC(=O)c1ccccc1N[13CH3] 34a_100011599994_200025704644 [0,1,0,0,0,0|1,0,0]=2 1089 B13R1.464 COc1ccccc1C(=O)CC#N 1458a_100000185835_100011214920 [0,1,0,0,0,0|1,0,1]=3 1090 B13R1.464 COc1ccccc1C(=O)CC#N 7a_200009873261_200000210301 [0,1,0,0,0,0|1,0,1]=3 1091 B13R1.464 COc1ccccc1C(=O)CCCl 7a_100009873196_200000210301 [0,1,0,0,0,0|1,0,0]=2 1092 B13R1.464 COc1ccccc1C(=O)CCF 1458a_100000185835_100011217306 [0,1,0,0,0,0|1,0,0]=2 1093 B13R1.464 COc1ccccc1C(=O)CCO 1458a_100000185835_100000211926 [0,1,0,0,0,0|1,0,0]=2 1094 B13R1.464 COc1ccccc1C(=O)CSC 62a_100000195505_200000210301 [0,1,0,0,0,0|0,1,0]=2 1095 B13R1.464 COc1ccccc1C(=O)CS[13CH3] 62a_100000195505_200025704644 [0,1,0,0,0,0|0,1,0]=2 1096 B13R1.464 COc1ccccc1C(C)OCF 7a_100000742714_100015361967 [0,1,0,0,0,0|1,0,1]=3 1097 B13R1.464 COc1ccccc1C(N)CO[13CH3] 34a_100000756845_200025704644 [0,1,0,0,0,0|1,0,1]=3 1098 B13R1.464 COc1ccccc1N(C)CCF 2230a_100000219746_100011217306 [0,1,0,0,0,0|3,0,0]=4 1099 B13R1.464 COc1ccccc1N(C)CCF 269982a_100000219746_100011217306 [0,1,0,0,0,0|3,0,0]=4 1100 B13R1.464 COc1ccccc1N(C)CCF 34a_100000219746_100011217306 [0,1,0,0,0,0|3,0,0]=4 1101 B13R1.464 COc1ccccc1N(C)CCO 2230a_100000219746_100000211926 [0,1,0,0,0,0|3,0,0]=4 1102 B13R1.464 COc1ccccc1N(C)CCO 269982a_100000219746_100000211926 [0,1,0,0,0,0|3,0,0]=4 1103 B13R1.464 COc1ccccc1N(C)CCO 34a_100000219746_100000211926 [0,1,0,0,0,0|3,0,0]=4 1104 B13R1.464 COc1ccccc1N(C)CSC 2230a_100000219746_100011218213 [0,1,0,0,0,0|2,1,0]=4 1105 B13R1.464 COc1ccccc1N(C)CSC 269982a_100000219746_100011218213 [0,1,0,0,0,0|2,1,0]=4 1106 B13R1.464 COc1ccccc1N(C)CSC 34a_100000219746_100011218213 [0,1,0,0,0,0|2,1,0]=4 1107 B13R1.464 CSc1ccccc1C(=O)CC#N 1458a_100000183967_100011214920 [0,1,0,0,0,0|1,1,1]=4 1108 B13R1.464 CSc1ccccc1C(=O)CC#N 62a_100011225204_200000210301 [0,1,0,0,0,0|1,1,1]=4 1109 B13R1.464 CSc1ccccc1C(=O)CC#N 62a_200000210301_100011225204 [0,1,0,0,0,0|1,1,1]=4 1110 B13R1.464 CSc1ccccc1C(=O)CCF 1458a_100000183967_100011217306 [0,1,0,0,0,0|1,1,0]=3 1111 B13R1.464 CSc1ccccc1C(=O)CCO 1458a_100000183967_100000211926 [0,1,0,0,0,0|1,1,0]=3 1112 B13R1.464 N#Cc1ccccc1C(=O)CCF 1458a_100000742908_100011217306 [0,1,0,0,0,0|3,0,0]=4 1113 B13R1.464 N#Cc1ccccc1C(=O)CCO 1458a_100000742908_100000211926 [0,1,0,0,0,0|3,0,0]=4 1114 B13R1.464 O=C(CCF)c1ccccc1CO 1458a_100011301526_100011217306 [0,1,0,0,0,0|3,0,0]=4 1115 B13R1.464 O=C(CCO)c1ccccc1CO 1458a_100011301526_100000211926 [0,1,0,0,0,0|3,0,0]=4 1116 B13R1.464 O=Ic1ccccc1C(=O)CCF 1458a_100000032414_100011217306 [0,1,0,0,0,0|3,0,0]=4 1117 B13R1.464 O=Ic1ccccc1C(=O)CCO 1458a_100000032414_100000211926 [0,1,0,0,0,0|3,0,0]=4 1118 B13R1.464 [13CH3]Oc1ccccc1C(=O)CC#N 7a_200009873261_200025704644 [0,1,0,0,0,0|1,0,1]=3 1119 B13R1.464 [13CH3]Oc1ccccc1C(=O)CCCl 7a_100009873196_200025704644 [0,1,0,0,0,0|1,0,0]=2 1120 B13R1.464 [13CH3]Sc1ccccc1C(=O)CC#N 62a_100011225204_200025704644 [0,1,0,0,0,0|1,1,1]=4 1121 B13R1.464 [13CH3]Sc1ccccc1C(=O)CC#N 62a_200025704644_100011225204 [0,1,0,0,0,0|1,1,1]=4 1122 B13R1.547 C=C(C)c1ccccc1C(=O)NC 271570a_100000694244_100000155073 [0,1,0,0,0,0|2,0,0]=3 1123 B13R1.547 C=C(C)c1ccccc1C(=O)NN 271570a_100000694244_100000190081 [0,1,0,0,0,0|3,0,0]=4 1124 B13R1.547 C=C(C)c1ccccc1C(=O)OC 271570a_100000694244_100000148710 [0,1,0,0,0,0|1,0,0]=2 1125 B13R1.547 C=C(C)c1cccnc1C(=O)OC 271570a_100000694244_100011935214 [0,1,0,0,0,0|2,0,0]=3 1126 B13R1.547 C=C(C)c1ccncc1C(=O)OC 271570a_100000694244_100020629055 [0,1,0,0,0,0|2,0,0]=3 1127 B13R1.547 C=C(C)c1cnccc1C(=O)OC 271570a_100000694244_100010008606 [0,1,0,0,0,0|2,0,0]=3 1128 B13R1.547 C=C(C)c1cncnc1C(=O)OC 271570a_100000694244_100012360100 [0,1,0,0,0,0|3,0,0]=4 1129 B13R1.547 C=C(C)c1ncccc1C(=O)NC 271570a_100000694244_100000159833 [0,1,0,0,0,0|3,0,0]=4 1130 B13R1.547 C=C(C)c1ncccc1C(=O)OC 271570a_100000694244_100000150852 [0,1,0,0,0,0|2,0,0]=3 1131 B13R1.547 C=C(C)c1nccnc1C(=O)OC 271570a_100000694244_100000688410 [0,1,0,0,0,0|3,0,0]=4 1132 B13R1.547 C=C(C)c1ncncc1C(=O)OC 271570a_100000694244_100000726419 [0,1,0,0,0,0|3,0,0]=4 1133 B13R1.547 CC(C)c1ccccc1C(=O)CF 1458a_100011941426_100015361967 [0,1,0,0,0,0|3,0,0]=4 1134 B13R1.547 CCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000210202 [0,1,0,0,0,0|2,0,0]=3 1135 B13R1.547 CCC(=O)c1ccccc1C(F)F 1458a_100009872251_100000210202 [0,1,0,0,0,0|3,0,0]=4 1136 B13R1.547 CCC(=O)c1ccccc1I(=O)=O 1458a_100000061294_100000210202 [0,1,0,0,0,0|3,0,0]=4 1137 B13R1.547 CCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000210202 [0,1,0,0,0,0|2,0,0]=3 1138 B13R1.547 CCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210202 [0,1,0,0,0,0|1,1,0]=3 1139 B13R1.547 CCC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_100000210202 [0,1,0,0,0,0|3,0,0]=4 1140 B13R1.547 CN(C)c1ccccc1C(=O)CF 1458a_100011218752_100015361967 [0,1,0,0,0,0|3,0,0]=4 1141 B13R1.547 CNC(=O)c1ccccc1C(C)C 11a_106832991635_100011941426 [0,1,0,0,0,0|2,0,0]=3 1142 B13R1.547 CNC(=O)c1ccccc1C(C)C 1626a_100102657272_100011941426 [0,1,0,0,0,0|2,0,0]=3 1143 B13R1.547 CNC(=O)c1ccccc1C(C)C 240690a_100102657272_100011941426 [0,1,0,0,0,0|2,0,0]=3 1144 B13R1.547 CNC(=O)c1ccccc1C(C)C 527a_100102657272_100011941426 [0,1,0,0,0,0|2,0,0]=3 1145 B13R1.547 CNC(=O)c1ccccc1C(F)F 11a_106832991635_100009872251 [0,1,0,0,0,0|3,0,0]=4 1146 B13R1.547 CNC(=O)c1ccccc1C(F)F 1626a_100102657272_100009872251 [0,1,0,0,0,0|3,0,0]=4 1147 B13R1.547 CNC(=O)c1ccccc1C(F)F 240690a_100102657272_100009872251 [0,1,0,0,0,0|3,0,0]=4 1148 B13R1.547 CNC(=O)c1ccccc1C(F)F 527a_100102657272_100009872251 [0,1,0,0,0,0|3,0,0]=4 1149 B13R1.547 CNC(=O)c1ccccc1I(=O)=O 1626a_100102657272_100000061294 [0,1,0,0,0,0|3,0,0]=4 1150 B13R1.547 CNC(=O)c1ccccc1I(=O)=O 240690a_100102657272_100000061294 [0,1,0,0,0,0|3,0,0]=4 1151 B13R1.547 CNC(=O)c1ccccc1N(C)C 11a_106832991635_100011218752 [0,1,0,0,0,0|2,0,0]=3 1152 B13R1.547 CNC(=O)c1ccccc1N(C)C 1626a_100102657272_100011218752 [0,1,0,0,0,0|2,0,0]=3 1153 B13R1.547 CNC(=O)c1ccccc1N(C)C 240690a_100102657272_100011218752 [0,1,0,0,0,0|2,0,0]=3 1154 B13R1.547 CNC(=O)c1ccccc1N(C)C 27a_100102631434_100000155073 [0,1,0,0,0,0|2,0,0]=3 1155 B13R1.547 CNC(=O)c1ccccc1N(C)C 527a_100102657272_100011218752 [0,1,0,0,0,0|2,0,0]=3 1156 B13R1.547 CNC(=O)c1ccccc1S(=O)C 1626a_100102657272_100000204632 [0,1,0,0,0,0|1,1,0]=3 1157 B13R1.547 CNC(=O)c1ccccc1S(=O)C 240690a_100102657272_100000204632 [0,1,0,0,0,0|1,1,0]=3 1158 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 11a_106832991635_100000188706 [0,1,0,0,0,0|3,0,0]=4 1159 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 1626a_100102657272_100000188706 [0,1,0,0,0,0|3,0,0]=4 1160 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 240690a_100102657272_100000188706 [0,1,0,0,0,0|3,0,0]=4 1161 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] 527a_100102657272_100000188706 [0,1,0,0,0,0|3,0,0]=4 1162 B13R1.547 CNC(=O)c1cccnc1N(C)C 27a_100102631434_100000159833 [0,1,0,0,0,0|3,0,0]=4 1163 B13R1.547 COC(=O)c1ccccc1C(=O)C 1458a_100011215673_200000210301 [0,1,0,0,0,0|1,0,0]=2 1164 B13R1.547 COC(=O)c1ccccc1C(=O)[13CH3] 1458a_100011215673_200025704644 [0,1,0,0,0,0|1,0,0]=2 1165 B13R1.547 COC(=O)c1ccccc1N(C)C 269982a_100000170468_200000210301 [0,1,0,0,0,0|1,0,0]=2 1166 B13R1.547 COC(=O)c1ccccc1N(C)C 34a_100000170468_200000210301 [0,1,0,0,0,0|1,0,0]=2 1167 B13R1.547 COC(=O)c1ccccc1N(C)[13CH3] 269982a_100000170468_200025704644 [0,1,0,0,0,0|1,0,0]=2 1168 B13R1.547 COC(=O)c1ccccc1N(C)[13CH3] 34a_100000170468_200025704644 [0,1,0,0,0,0|1,0,0]=2 1169 B13R1.547 COC(=O)c1cccnc1N(C)C 27a_100102631434_100000150852 [0,1,0,0,0,0|2,0,0]=3 1170 B13R1.547 COC(=O)c1cncnc1N(C)C 27a_100102631434_100000726419 [0,1,0,0,0,0|3,0,0]=4 1171 B13R1.547 COC(=O)c1nccnc1N(C)C 27a_100102631434_100000079898 [0,1,0,0,0,0|3,0,0]=4 1172 B13R1.547 CS(=O)c1ccccc1C(=O)CF 1458a_100000204632_100015361967 [0,1,0,0,0,0|2,1,0]=4 1173 B13R1.2065 C=Cc1cc(ccc1C(=O)CC)C 271570a_100011290941_200012349623 [0,1,0,0,0,0|2,0,1]=4 1174 B13R1.2065 C=Cc1cc(ccc1C(=O)NC)F 271570a_100011290941_200000206206 [0,1,0,0,0,0|2,0,1]=4 1175 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)Br 271570a_100011290941_100000701758 [0,1,0,0,0,0|1,0,1]=3 1176 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)C 271570a_100011290941_100012340597 [0,1,0,0,0,0|1,0,1]=3 1177 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)Cl 271570a_100011290941_100000047510 [0,1,0,0,0,0|1,0,1]=3 1178 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)F 271570a_100011290941_100000204356 [0,1,0,0,0,0|1,0,1]=3 1179 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)N 271570a_100011290941_100009998378 [0,1,0,0,0,0|1,0,1]=3 1180 B13R1.2065 C=Cc1cc(ccc1C(=O)OC)O 271570a_100011290941_100010150825 [0,1,0,0,0,0|1,0,1]=3 1181 B13R1.2065 C=Cc1cc(cnc1C(=O)OC)C 271570a_100011290941_100010167497 [0,1,0,0,0,0|2,0,1]=4 1182 B13R1.2065 C=Cc1cc(cnc1C(=O)OC)F 271570a_100011290941_100010189631 [0,1,0,0,0,0|2,0,1]=4 1183 B13R1.2065 C=Cc1cc(ncc1C(=O)OC)C 271570a_100011290941_100011998247 [0,1,0,0,0,0|2,0,1]=4 1184 B13R1.2065 C=Cc1nc(ccc1C(=O)OC)C 271570a_100011290941_100000054099 [0,1,0,0,0,0|2,0,1]=4 1185 B13R1.2065 C=Cc1nc(ccc1C(=O)OC)N 271570a_100011290941_100009865240 [0,1,0,0,0,0|2,0,1]=4 1186 B13R1.2065 C=Cc1nc(ccc1C(=O)OC)O 271570a_100011290941_100016008356 [0,1,0,0,0,0|2,0,1]=4 1187 B13R1.2065 CCC(=O)c1ccc(cc1C#N)Br 1458a_100012349539_100000210202 [0,1,0,0,0,0|3,0,0]=4 1188 B13R1.2065 CCC(=O)c1ccc(cc1C#N)C 1458a_200012184421_100000210202 [0,1,0,0,0,0|3,0,0]=4 1189 B13R1.2065 CCC(=O)c1ccc(cc1C#N)F 1458a_100012002388_100000210202 [0,1,0,0,0,0|3,0,0]=4 1190 B13R1.2065 CCC(=O)c1ccc(cc1CC)Br 1458a_200012349896_100000210202 [0,1,0,0,0,0|2,0,0]=3 1191 B13R1.2065 CCC(=O)c1ccc(cc1CO)Br 1458a_100010253900_100000210202 [0,1,0,0,0,0|3,0,0]=4 1192 B13R1.2065 CCC(=O)c1ccc(cc1CO)F 1458a_100013035055_100000210202 [0,1,0,0,0,0|3,0,0]=4 1193 B13R1.2065 CCC(=O)c1ccc(cc1NC)C 27a_100102657272_200012349623 [0,1,0,0,0,0|2,0,0]=3 1194 B13R1.2065 CCC(=O)c1ccc(cc1OC)Br 1458a_100000748230_100000210202 [0,1,0,0,0,0|1,0,0]=2 1195 B13R1.2065 CCC(=O)c1ccc(cc1OC)C 1458a_100000217210_100000210202 [0,1,0,0,0,0|1,0,0]=2 1196 B13R1.2065 CCC(=O)c1ccc(cc1OC)Cl 1458a_100000217211_100000210202 [0,1,0,0,0,0|1,0,0]=2 1197 B13R1.2065 CCC(=O)c1ccc(cc1OC)F 1458a_100000239970_100000210202 [0,1,0,0,0,0|1,0,0]=2 1198 B13R1.2065 CCC(=O)c1ccc(cc1OC)I 1458a_100012353712_100000210202 [0,1,0,0,0,0|1,0,0]=2 1199 B13R1.2065 CCC(=O)c1ccc(cc1SC)C 62a_200000210301_200012349623 [0,1,0,0,0,0|1,1,0]=3 1200 B13R1.2065 CCC(=O)c1ccc(cc1SC)C 62a_200012349623_200000210301 [0,1,0,0,0,0|1,1,0]=3 1201 B13R1.2065 CCC(=O)c1ccc(cc1S[13CH3])C 62a_200012349623_200025704644 [0,1,0,0,0,0|1,1,0]=3 1202 B13R1.2065 CCC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_200012349623 [0,1,0,0,0,0|1,1,0]=3 1203 B13R1.2065 CCN(C)c1ccc(cc1OC)Cl 2230a_100000061351_100000210202 [0,1,0,0,0,0|3,0,0]=4 1204 B13R1.2065 CCN(C)c1ccc(cc1OC)Cl 269982a_100000061351_100000204670 [0,1,0,0,0,0|3,0,0]=4 1205 B13R1.2065 CCN(C)c1ccc(cc1OC)Cl 34a_100000061351_100000210202 [0,1,0,0,0,0|3,0,0]=4 1206 B13R1.2065 CCN(C)c1ccc(cc1OC)F 2230a_100020633920_100000210202 [0,1,0,0,0,0|3,0,0]=4 1207 B13R1.2065 CCN(C)c1ccc(cc1OC)F 269982a_100020633920_100000204670 [0,1,0,0,0,0|3,0,0]=4 1208 B13R1.2065 CCN(C)c1ccc(cc1OC)F 34a_100020633920_100000210202 [0,1,0,0,0,0|3,0,0]=4 1209 B13R1.2065 CCN(C)c1ccc(cc1OC)F 38a_100020633920_100000204670 [0,1,0,0,0,0|3,0,0]=4 1210 B13R1.2065 CCc1cc(ccc1C(=O)CF)Br 1458a_200012349896_100015361967 [0,1,0,0,0,0|3,0,0]=4 1211 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 11a_106832991635_200012349896 [0,1,0,0,0,0|2,0,0]=3 1212 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 1626a_100102657272_200012349896 [0,1,0,0,0,0|2,0,0]=3 1213 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 240690a_100102657272_200012349896 [0,1,0,0,0,0|2,0,0]=3 1214 B13R1.2065 CCc1cc(ccc1C(=O)NC)Br 527a_100102657272_200012349896 [0,1,0,0,0,0|2,0,0]=3 1215 B13R1.2065 CNC(=O)c1ccc(cc1C#N)Br 11a_106832991635_100012349539 [0,1,0,0,0,0|3,0,0]=4 1216 B13R1.2065 CNC(=O)c1ccc(cc1C#N)Br 240690a_100102657272_100012349539 [0,1,0,0,0,0|3,0,0]=4 1217 B13R1.2065 CNC(=O)c1ccc(cc1C#N)C 1626a_100102657272_200012184421 [0,1,0,0,0,0|3,0,0]=4 1218 B13R1.2065 CNC(=O)c1ccc(cc1C#N)C 240690a_100102657272_200012184421 [0,1,0,0,0,0|3,0,0]=4 1219 B13R1.2065 CNC(=O)c1ccc(cc1C#N)C 527a_100102657272_200012184421 [0,1,0,0,0,0|3,0,0]=4 1220 B13R1.2065 CNC(=O)c1ccc(cc1C#N)F 11a_106832991635_100012002388 [0,1,0,0,0,0|3,0,0]=4 1221 B13R1.2065 CNC(=O)c1ccc(cc1C#N)F 1626a_100102657272_100012002388 [0,1,0,0,0,0|3,0,0]=4 1222 B13R1.2065 CNC(=O)c1ccc(cc1CO)F 1626a_100102657272_100013035055 [0,1,0,0,0,0|3,0,0]=4 1223 B13R1.2065 CNC(=O)c1ccc(cc1CO)F 240690a_100102657272_100013035055 [0,1,0,0,0,0|3,0,0]=4 1224 B13R1.2065 CNC(=O)c1ccc(cc1NC)Cl 34a_100000742614_200000210301 [0,1,0,0,0,0|2,0,0]=3 1225 B13R1.2065 CNC(=O)c1ccc(cc1NC)F 27a_100102657272_200000206206 [0,1,0,0,0,0|2,0,0]=3 1226 B13R1.2065 CNC(=O)c1ccc(cc1N[13CH3])Cl 34a_100000742614_200025704644 [0,1,0,0,0,0|2,0,0]=3 1227 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 11a_106832991635_100000748230 [0,1,0,0,0,0|1,0,0]=2 1228 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 1626a_100102657272_100000748230 [0,1,0,0,0,0|1,0,0]=2 1229 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 240690a_100102657272_100000748230 [0,1,0,0,0,0|1,0,0]=2 1230 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br 527a_100102657272_100000748230 [0,1,0,0,0,0|1,0,0]=2 1231 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 11a_106832991635_100000217210 [0,1,0,0,0,0|1,0,0]=2 1232 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 1626a_100102657272_100000217210 [0,1,0,0,0,0|1,0,0]=2 1233 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 240690a_100102657272_100000217210 [0,1,0,0,0,0|1,0,0]=2 1234 B13R1.2065 CNC(=O)c1ccc(cc1OC)C 527a_100102657272_100000217210 [0,1,0,0,0,0|1,0,0]=2 1235 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 11a_106832991635_100000217211 [0,1,0,0,0,0|1,0,0]=2 1236 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 1626a_100102657272_100000217211 [0,1,0,0,0,0|1,0,0]=2 1237 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 240690a_100102657272_100000217211 [0,1,0,0,0,0|1,0,0]=2 1238 B13R1.2065 CNC(=O)c1ccc(cc1OC)Cl 527a_100102657272_100000217211 [0,1,0,0,0,0|1,0,0]=2 1239 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 11a_106832991635_100000239970 [0,1,0,0,0,0|1,0,0]=2 1240 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 1626a_100102657272_100000239970 [0,1,0,0,0,0|1,0,0]=2 1241 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 240690a_100102657272_100000239970 [0,1,0,0,0,0|1,0,0]=2 1242 B13R1.2065 CNC(=O)c1ccc(cc1OC)F 527a_100102657272_100000239970 [0,1,0,0,0,0|1,0,0]=2 1243 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 11a_106832991635_100012353712 [0,1,0,0,0,0|1,0,0]=2 1244 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 1626a_100102657272_100012353712 [0,1,0,0,0,0|1,0,0]=2 1245 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 240690a_100102657272_100012353712 [0,1,0,0,0,0|1,0,0]=2 1246 B13R1.2065 CNC(=O)c1ccc(cc1OC)I 527a_100102657272_100012353712 [0,1,0,0,0,0|1,0,0]=2 1247 B13R1.2065 CNC(=O)c1ccc(cc1OC)N 34a_100000223174_200000210301 [0,1,0,0,0,0|1,0,0]=2 1248 B13R1.2065 CNC(=O)c1ccc(cc1OC)N 7a_100000223174_200000210301 [0,1,0,0,0,0|1,0,0]=2 1249 B13R1.2065 CNC(=O)c1ccc(cc1O[13CH3])N 34a_100000223174_200025704644 [0,1,0,0,0,0|1,0,0]=2 1250 B13R1.2065 CNC(=O)c1ccc(cc1O[13CH3])N 7a_100000223174_200025704644 [0,1,0,0,0,0|1,0,0]=2 1251 B13R1.2065 CNC(=O)c1ccc(cc1SC)F 62a_200000206206_200000210301 [0,1,0,0,0,0|1,1,0]=3 1252 B13R1.2065 CNC(=O)c1ccc(cc1SC)F 62a_200000210301_200000206206 [0,1,0,0,0,0|1,1,0]=3 1253 B13R1.2065 CNC(=O)c1ccc(cc1S[13CH3])F 62a_200000206206_200025704644 [0,1,0,0,0,0|1,1,0]=3 1254 B13R1.2065 CNC(=O)c1ccc(cc1S[13CH3])F 62a_200025704644_200000206206 [0,1,0,0,0,0|1,1,0]=3 1255 B13R1.2065 CNC(C)c1ccc(cc1OC)Br 269862a_106832991636_100000709911 [0,1,0,0,0,0|2,0,1]=4 1256 B13R1.2065 CNC(C)c1ccc(cc1OC)C 269862a_106832991636_100000234786 [0,1,0,0,0,0|2,0,1]=4 1257 B13R1.2065 CNC(C)c1ccc(cc1OC)Cl 269862a_106832991636_100011551334 [0,1,0,0,0,0|2,0,1]=4 1258 B13R1.2065 CNC(C)c1ccc(cc1OC)F 269862a_106832991636_100011218476 [0,1,0,0,0,0|2,0,1]=4 1259 B13R1.2065 CNc1cc(ccc1C(=O)NN)F 27a_100102657272_100000203923 [0,1,0,0,0,0|3,0,0]=4 1260 B13R1.2065 CNc1cc(ccc1C(=O)OC)O 271570a_203496583355_200160487225 [0,1,0,0,0,0|1,0,0]=2 1261 B13R1.2065 CNc1cc(ncc1C(=O)OC)C 27a_100102657272_100011998247 [0,1,0,0,0,0|2,0,0]=3 1262 B13R1.2065 CNc1nc(cnc1C(=O)OC)C 27a_100102657272_100000099855 [0,1,0,0,0,0|3,0,0]=4 1263 B13R1.2065 CNc1nc(ncc1C(=O)OC)N 27a_100102657272_100010277515 [0,1,0,0,0,0|3,0,0]=4 1264 B13R1.2065 COC(=O)c1ccc(cc1C#N)O 271570a_203496583355_100010150794 [0,1,0,0,0,0|2,0,0]=3 1265 B13R1.2065 COC(=O)c1ccc(cc1C=O)O 271570a_203496583355_100010732994 [0,1,0,0,0,0|2,0,0]=3 1266 B13R1.2065 COC(=O)c1ccc(cc1OC)Br 34a_100000699699_200000210301 [0,1,0,0,0,0|0,0,0]=1 1267 B13R1.2065 COC(=O)c1ccc(cc1OC)Br 7a_100000699699_200000210301 [0,1,0,0,0,0|0,0,0]=1 1268 B13R1.2065 COC(=O)c1ccc(cc1OC)C 34a_100000148187_200000210301 [0,1,0,0,0,0|0,0,0]=1 1269 B13R1.2065 COC(=O)c1ccc(cc1OC)C 7a_100000148187_200000210301 [0,1,0,0,0,0|0,0,0]=1 1270 B13R1.2065 COC(=O)c1ccc(cc1OC)Cl 34a_100000151441_200000210301 [0,1,0,0,0,0|0,0,0]=1 1271 B13R1.2065 COC(=O)c1ccc(cc1OC)Cl 7a_100000151441_200000210301 [0,1,0,0,0,0|0,0,0]=1 1272 B13R1.2065 COC(=O)c1ccc(cc1OC)F 34a_100011216117_200000210301 [0,1,0,0,0,0|0,0,0]=1 1273 B13R1.2065 COC(=O)c1ccc(cc1OC)F 7a_100011216117_200000210301 [0,1,0,0,0,0|0,0,0]=1 1274 B13R1.2065 COC(=O)c1ccc(cc1OC)I 7a_100000062286_200000210301 [0,1,0,0,0,0|0,0,0]=1 1275 B13R1.2065 COC(=O)c1ccc(cc1OC)N 34a_100000718744_200000210301 [0,1,0,0,0,0|0,0,0]=1 1276 B13R1.2065 COC(=O)c1ccc(cc1OC)N 7a_100000718744_200000210301 [0,1,0,0,0,0|0,0,0]=1 1277 B13R1.2065 COC(=O)c1ccc(cc1OC)O 271570a_203496583355_100000708095 [0,1,0,0,0,0|0,0,0]=1 1278 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Br 34a_100000699699_200025704644 [0,1,0,0,0,0|0,0,0]=1 1279 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Br 7a_100000699699_200025704644 [0,1,0,0,0,0|0,0,0]=1 1280 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])C 34a_100000148187_200025704644 [0,1,0,0,0,0|0,0,0]=1 1281 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])C 7a_100000148187_200025704644 [0,1,0,0,0,0|0,0,0]=1 1282 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000151441_200025704644 [0,1,0,0,0,0|0,0,0]=1 1283 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000151441_200025704644 [0,1,0,0,0,0|0,0,0]=1 1284 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])F 34a_100011216117_200025704644 [0,1,0,0,0,0|0,0,0]=1 1285 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])F 7a_100011216117_200025704644 [0,1,0,0,0,0|0,0,0]=1 1286 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])I 7a_100000062286_200025704644 [0,1,0,0,0,0|0,0,0]=1 1287 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])N 34a_100000718744_200025704644 [0,1,0,0,0,0|0,0,0]=1 1288 B13R1.2065 COC(=O)c1ccc(cc1O[13CH3])N 7a_100000718744_200025704644 [0,1,0,0,0,0|0,0,0]=1 1289 B13R1.2065 COC(=O)c1ccc(cc1SC)Br 62a_100000701758_200000210301 [0,1,0,0,0,0|0,1,0]=2 1290 B13R1.2065 COC(=O)c1ccc(cc1SC)C 62a_100012340597_200000210301 [0,1,0,0,0,0|0,1,0]=2 1291 B13R1.2065 COC(=O)c1ccc(cc1SC)C 62a_200000210301_100012340597 [0,1,0,0,0,0|0,1,0]=2 1292 B13R1.2065 COC(=O)c1ccc(cc1SC)Cl 62a_100000047510_200000210301 [0,1,0,0,0,0|0,1,0]=2 1293 B13R1.2065 COC(=O)c1ccc(cc1SC)Cl 62a_200000210301_100000047510 [0,1,0,0,0,0|0,1,0]=2 1294 B13R1.2065 COC(=O)c1ccc(cc1SC)F 62a_100000204356_200000210301 [0,1,0,0,0,0|0,1,0]=2 1295 B13R1.2065 COC(=O)c1ccc(cc1SC)F 62a_200000210301_100000204356 [0,1,0,0,0,0|0,1,0]=2 1296 B13R1.2065 COC(=O)c1ccc(cc1SC)N 62a_100009998378_200000210301 [0,1,0,0,0,0|0,1,0]=2 1297 B13R1.2065 COC(=O)c1ccc(cc1SC)N 62a_200000210301_100010150747 [0,1,0,0,0,0|0,1,0]=2 1298 B13R1.2065 COC(=O)c1ccc(cc1SC)O 62a_100010150825_200000210301 [0,1,0,0,0,0|0,1,0]=2 1299 B13R1.2065 COC(=O)c1ccc(cc1SC)O 62a_200000210301_100010150825 [0,1,0,0,0,0|0,1,0]=2 1300 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])Br 62a_100000701758_200025704644 [0,1,0,0,0,0|0,1,0]=2 1301 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])C 62a_100012340597_200025704644 [0,1,0,0,0,0|0,1,0]=2 1302 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012340597 [0,1,0,0,0,0|0,1,0]=2 1303 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])Cl 62a_100000047510_200025704644 [0,1,0,0,0,0|0,1,0]=2 1304 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])Cl 62a_200025704644_100000047510 [0,1,0,0,0,0|0,1,0]=2 1305 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])F 62a_100000204356_200025704644 [0,1,0,0,0,0|0,1,0]=2 1306 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])F 62a_200025704644_100000204356 [0,1,0,0,0,0|0,1,0]=2 1307 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])N 62a_100009998378_200025704644 [0,1,0,0,0,0|0,1,0]=2 1308 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])N 62a_200025704644_100010150747 [0,1,0,0,0,0|0,1,0]=2 1309 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])O 62a_100010150825_200025704644 [0,1,0,0,0,0|0,1,0]=2 1310 B13R1.2065 COC(=O)c1ccc(cc1S[13CH3])O 62a_200025704644_100010150825 [0,1,0,0,0,0|0,1,0]=2 1311 B13R1.2065 COC(=O)c1ccc(nc1OC)O 271570a_203496583355_100000703831 [0,1,0,0,0,0|1,0,0]=2 1312 B13R1.2065 COC(=O)c1ccc(nc1SC)C 62a_100000054099_200000210301 [0,1,0,0,0,0|1,1,0]=3 1313 B13R1.2065 COC(=O)c1ccc(nc1SC)C 62a_200000210301_100000054099 [0,1,0,0,0,0|1,1,0]=3 1314 B13R1.2065 COC(=O)c1ccc(nc1SC)N 62a_100009865240_200000210301 [0,1,0,0,0,0|1,1,0]=3 1315 B13R1.2065 COC(=O)c1ccc(nc1SC)N 62a_200000210301_100009865240 [0,1,0,0,0,0|1,1,0]=3 1316 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])C 62a_100000054099_200025704644 [0,1,0,0,0,0|1,1,0]=3 1317 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])C 62a_200025704644_100000054099 [0,1,0,0,0,0|1,1,0]=3 1318 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])N 62a_100009865240_200025704644 [0,1,0,0,0,0|1,1,0]=3 1319 B13R1.2065 COC(=O)c1ccc(nc1S[13CH3])N 62a_200025704644_100009865240 [0,1,0,0,0,0|1,1,0]=3 1320 B13R1.2065 COC(=O)c1cnc(cc1OC)O 271570a_203496583355_100010062786 [0,1,0,0,0,0|1,0,0]=2 1321 B13R1.2065 COC(=O)c1cnc(cc1SC)C 62a_100011998247_200000210301 [0,1,0,0,0,0|1,1,0]=3 1322 B13R1.2065 COC(=O)c1cnc(cc1SC)C 62a_200000210301_100011998247 [0,1,0,0,0,0|1,1,0]=3 1323 B13R1.2065 COC(=O)c1cnc(cc1SC)Cl 62a_100010734300_200000210301 [0,1,0,0,0,0|1,1,0]=3 1324 B13R1.2065 COC(=O)c1cnc(cc1SC)Cl 62a_200000210301_100010734300 [0,1,0,0,0,0|1,1,0]=3 1325 B13R1.2065 COC(=O)c1cnc(cc1S[13CH3])C 62a_100011998247_200025704644 [0,1,0,0,0,0|1,1,0]=3 1326 B13R1.2065 COC(=O)c1cnc(cc1S[13CH3])C 62a_200025704644_100011998247 [0,1,0,0,0,0|1,1,0]=3 1327 B13R1.2065 COC(=O)c1cnc(cc1S[13CH3])Cl 62a_100010734300_200025704644 [0,1,0,0,0,0|1,1,0]=3 1328 B13R1.2065 COC(=O)c1cnc(cc1S[13CH3])Cl 62a_200025704644_100010734300 [0,1,0,0,0,0|1,1,0]=3 1329 B13R1.2065 COC(=O)c1cnc(nc1SC)N 62a_100010277515_200000210301 [0,1,0,0,0,0|2,1,0]=4 1330 B13R1.2065 COC(=O)c1cnc(nc1SC)N 62a_200000210301_100010277515 [0,1,0,0,0,0|2,1,0]=4 1331 B13R1.2065 COC(=O)c1cnc(nc1S[13CH3])N 62a_100010277515_200025704644 [0,1,0,0,0,0|2,1,0]=4 1332 B13R1.2065 COC(=O)c1cnc(nc1S[13CH3])N 62a_200025704644_100010277515 [0,1,0,0,0,0|2,1,0]=4 1333 B13R1.2065 COC(=O)c1n[nH]c(=O)cc1SC 62a_200000210301_200021564684 [0,1,0,0,0,0|2,1,0]=4 1334 B13R1.2065 COC(=O)c1n[nH]c(=O)cc1S[13CH3] 62a_200025704644_200021564684 [0,1,0,0,0,0|2,1,0]=4 1335 B13R1.2065 COC(=O)c1ncc(cc1OC)Br 34a_100010071521_200000210301 [0,1,0,0,0,0|1,0,0]=2 1336 B13R1.2065 COC(=O)c1ncc(cc1OC)Br 7a_100010071521_200000210301 [0,1,0,0,0,0|1,0,0]=2 1337 B13R1.2065 COC(=O)c1ncc(cc1OC)O 271570a_203496583355_100010254911 [0,1,0,0,0,0|1,0,0]=2 1338 B13R1.2065 COC(=O)c1ncc(cc1O[13CH3])Br 34a_100010071521_200025704644 [0,1,0,0,0,0|1,0,0]=2 1339 B13R1.2065 COC(=O)c1ncc(cc1O[13CH3])Br 7a_100010071521_200025704644 [0,1,0,0,0,0|1,0,0]=2 1340 B13R1.2065 COC(=O)c1ncc(cc1SC)C 62a_100010167497_200000210301 [0,1,0,0,0,0|1,1,0]=3 1341 B13R1.2065 COC(=O)c1ncc(cc1SC)C 62a_200000210301_100010167497 [0,1,0,0,0,0|1,1,0]=3 1342 B13R1.2065 COC(=O)c1ncc(cc1SC)F 62a_100010189631_200000210301 [0,1,0,0,0,0|1,1,0]=3 1343 B13R1.2065 COC(=O)c1ncc(cc1SC)F 62a_200000210301_100010189631 [0,1,0,0,0,0|1,1,0]=3 1344 B13R1.2065 COC(=O)c1ncc(cc1S[13CH3])C 62a_100010167497_200025704644 [0,1,0,0,0,0|1,1,0]=3 1345 B13R1.2065 COC(=O)c1ncc(cc1S[13CH3])C 62a_200025704644_100010167497 [0,1,0,0,0,0|1,1,0]=3 1346 B13R1.2065 COC(=O)c1ncc(cc1S[13CH3])F 62a_100010189631_200025704644 [0,1,0,0,0,0|1,1,0]=3 1347 B13R1.2065 COC(=O)c1ncc(cc1S[13CH3])F 62a_200025704644_100010189631 [0,1,0,0,0,0|1,1,0]=3 1348 B13R1.2065 COC(=O)c1ncc(nc1SC)C 62a_200000210301_100000099855 [0,1,0,0,0,0|2,1,0]=4 1349 B13R1.2065 COC(=O)c1ncc(nc1S[13CH3])C 62a_200025704644_100000099855 [0,1,0,0,0,0|2,1,0]=4 1350 B13R1.2065 COc1cc(ccc1C(=O)CBr)F 7a_100009817053_200000210301 [0,1,0,0,0,0|2,0,0]=3 1351 B13R1.2065 COc1cc(ccc1C(=O)CF)Br 1458a_100000748230_100015361967 [0,1,0,0,0,0|2,0,0]=3 1352 B13R1.2065 COc1cc(ccc1C(=O)CF)C 1458a_100000217210_100015361967 [0,1,0,0,0,0|2,0,0]=3 1353 B13R1.2065 COc1cc(ccc1C(=O)CF)Cl 1458a_100000217211_100015361967 [0,1,0,0,0,0|2,0,0]=3 1354 B13R1.2065 COc1cc(ccc1C(=O)CF)F 1458a_100000239970_100015361967 [0,1,0,0,0,0|2,0,0]=3 1355 B13R1.2065 COc1cc(ccc1C(=O)CF)I 1458a_100012353712_100015361967 [0,1,0,0,0,0|2,0,0]=3 1356 B13R1.2065 COc1cc(ccc1C(=O)NN)C 34a_100000193368_200000210301 [0,1,0,0,0,0|2,0,0]=3 1357 B13R1.2065 COc1cc(ccc1C(=O)NN)Cl 34a_100000193371_200000210301 [0,1,0,0,0,0|2,0,0]=3 1358 B13R1.2065 COc1cc(ccc1C(=O)NN)N 34a_200000020778_200000210301 [0,1,0,0,0,0|2,0,0]=3 1359 B13R1.2065 COc1cc(ccc1C(=O)NO)C 34a_200000199133_200000210301 [0,1,0,0,0,0|2,0,0]=3 1360 B13R1.2065 COc1cc(ccc1C(=O)NO)Cl 34a_100000199135_200000210301 [0,1,0,0,0,0|2,0,0]=3 1361 B13R1.2065 CSc1cc(ccc1C(=O)NN)C 62a_200000210301_200012340525 [0,1,0,0,0,0|2,1,0]=4 1362 B13R1.2065 CSc1cc(ccc1C(=O)NN)C 62a_200012340525_200000210301 [0,1,0,0,0,0|2,1,0]=4 1363 B13R1.2065 CSc1cc(ccc1C(=O)NN)F 62a_100000203923_200000210301 [0,1,0,0,0,0|2,1,0]=4 1364 B13R1.2065 CSc1cc(ccc1C(=O)NN)F 62a_200000210301_100000203923 [0,1,0,0,0,0|2,1,0]=4 1365 B13R1.2065 Cc1ccc(c(c1)O[13CH3])C(=O)NN 34a_100000193368_200025704644 [0,1,0,0,0,0|2,0,0]=3 1366 B13R1.2065 Cc1ccc(c(c1)O[13CH3])C(=O)NO 34a_200000199133_200025704644 [0,1,0,0,0,0|2,0,0]=3 1367 B13R1.2065 Cc1ccc(c(c1)S[13CH3])C(=O)NN 62a_200012340525_200025704644 [0,1,0,0,0,0|2,1,0]=4 1368 B13R1.2065 Cc1ccc(c(c1)S[13CH3])C(=O)NN 62a_200025704644_200012340525 [0,1,0,0,0,0|2,1,0]=4 1369 B13R1.2065 [13CH3]Oc1cc(ccc1C(=O)CBr)F 7a_100009817053_200025704644 [0,1,0,0,0,0|2,0,0]=3 1370 B13R1.2065 [13CH3]Oc1cc(ccc1C(=O)NN)Cl 34a_100000193371_200025704644 [0,1,0,0,0,0|2,0,0]=3 1371 B13R1.2065 [13CH3]Oc1cc(ccc1C(=O)NN)N 34a_200000020778_200025704644 [0,1,0,0,0,0|2,0,0]=3 1372 B13R1.2065 [13CH3]Oc1cc(ccc1C(=O)NO)Cl 34a_100000199135_200025704644 [0,1,0,0,0,0|2,0,0]=3 1373 B13R1.2065 [13CH3]Sc1cc(ccc1C(=O)NN)F 62a_100000203923_200025704644 [0,1,0,0,0,0|2,1,0]=4 1374 B13R1.2065 [13CH3]Sc1cc(ccc1C(=O)NN)F 62a_200025704644_100000203923 [0,1,0,0,0,0|2,1,0]=4 1375 B13R1.2129 CCC(C)(C)c1ccccc1OC 7a_100000065868_200000210301 [0,1,0,0,0,0|2,0,1]=4 1376 B13R1.2129 CCC(C)(C)c1ccccc1O[13CH3] 7a_100000065868_200025704644 [0,1,0,0,0,0|2,0,1]=4 1377 B13R1.2129 CCS(=O)(=O)c1ccccc1NC 34a_100000738084_200000210301 [0,1,0,0,0,0|3,0,0]=4 1378 B13R1.2129 CCS(=O)(=O)c1ccccc1NC 7a_100000738084_200000210301 [0,1,0,0,0,0|3,0,0]=4 1379 B13R1.2129 CCS(=O)(=O)c1ccccc1N[13CH3] 34a_100000738084_200025704644 [0,1,0,0,0,0|3,0,0]=4 1380 B13R1.2129 CCS(=O)(=O)c1ccccc1N[13CH3] 7a_100000738084_200025704644 [0,1,0,0,0,0|3,0,0]=4 1381 B13R1.2129 CCc1ccccc1S(=O)(=O)NC 270084a_100102657272_100000708428 [0,1,0,0,0,0|3,0,0]=4 1382 B13R1.2129 CCc1ccccc1S(=O)(=O)NC 274078a_100102657272_100000708428 [0,1,0,0,0,0|3,0,0]=4 1383 B13R1.2129 CNS(=O)(=O)c1ccccc1N[13CH3] 34a_100000736802_200025704644 [0,1,0,0,0,0|3,0,0]=4 1384 B13R1.2129 CNS(=O)(=O)c1ccccc1OC 270084a_100102657272_100000183792 [0,1,0,0,0,0|2,0,0]=3 1385 B13R1.2129 CNS(=O)(=O)c1ccccc1OC 274078a_100102657272_100000183792 [0,1,0,0,0,0|2,0,0]=3 1386 B13R1.2129 CNS(=O)(=O)c1ccccc1SC 62a_200000165157_200000210301 [0,1,0,0,0,0|2,1,0]=4 1387 B13R1.2129 CNS(=O)(=O)c1ccccc1S[13CH3] 62a_200000165157_200025704644 [0,1,0,0,0,0|2,1,0]=4 1388 B13R1.2129 CNS(=O)(=O)c1cccnc1OC 270084a_100102657272_100012020459 [0,1,0,0,0,0|3,0,0]=4 1389 B13R1.2129 CNS(=O)(=O)c1cccnc1OC 274078a_100102657272_100012020459 [0,1,0,0,0,0|3,0,0]=4 1390 B13R1.2129 CNc1ccccc1S(=O)(=O)NC 34a_100000736802_200000210301 [0,1,0,0,0,0|3,0,0]=4 1391 B13R1.2209 C=Cc1ccc(cc1C(=O)NC)Cl 271570a_100011290941_200011279454 [0,1,0,0,0,0|2,0,1]=4 1392 B13R1.2209 C=Cc1ccc(cc1C(=O)NC)F 271570a_100011290941_200000206232 [0,1,0,0,0,0|2,0,1]=4 1393 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)Br 271570a_100011290941_100000148213 [0,1,0,0,0,0|1,0,1]=3 1394 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)C 271570a_100011290941_100012339458 [0,1,0,0,0,0|1,0,1]=3 1395 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)Cl 271570a_100011290941_100011294804 [0,1,0,0,0,0|1,0,1]=3 1396 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)F 271570a_100011290941_100000205820 [0,1,0,0,0,0|1,0,1]=3 1397 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)N 271570a_100011290941_100000696289 [0,1,0,0,0,0|1,0,1]=3 1398 B13R1.2209 C=Cc1ccc(cc1C(=O)OC)O 271570a_100011290941_100010230369 [0,1,0,0,0,0|1,0,1]=3 1399 B13R1.2209 C=Cc1ccc(nc1C(=O)OC)N 271570a_100011290941_100009816986 [0,1,0,0,0,0|2,0,1]=4 1400 B13R1.2209 C=Cc1ccc(nc1C(=O)OC)O 271570a_100011290941_100010189638 [0,1,0,0,0,0|2,0,1]=4 1401 B13R1.2209 C=Cc1cnc(cc1C(=O)OC)N 271570a_100011290941_100011934820 [0,1,0,0,0,0|2,0,1]=4 1402 B13R1.2209 C=Cc1cnc(cc1C(=O)OC)O 271570a_100011290941_100009816900 [0,1,0,0,0,0|2,0,1]=4 1403 B13R1.2209 C=Cc1ncc(cc1C(=O)OC)C 271570a_100011290941_100000085774 [0,1,0,0,0,0|2,0,1]=4 1404 B13R1.2209 C=Cc1ncc(cc1C(=O)OC)F 271570a_100011290941_100012000215 [0,1,0,0,0,0|2,0,1]=4 1405 B13R1.2209 C=Cc1ncc(cc1C(=O)OC)N 271570a_100011290941_200012182668 [0,1,0,0,0,0|2,0,1]=4 1406 B13R1.2209 CCC(=O)c1cc(ccc1C#N)F 1458a_100011217471_100000210202 [0,1,0,0,0,0|3,0,0]=4 1407 B13R1.2209 CCC(=O)c1cc(ccc1CC)Br 1458a_100012343961_100000210202 [0,1,0,0,0,0|2,0,0]=3 1408 B13R1.2209 CCC(=O)c1cc(ccc1OC)Br 1458a_100000188853_100000210202 [0,1,0,0,0,0|1,0,0]=2 1409 B13R1.2209 CCC(=O)c1cc(ccc1OC)Br 7a_100000183607_200000210301 [0,1,0,0,0,0|1,0,0]=2 1410 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 1458a_100000204667_100000210202 [0,1,0,0,0,0|1,0,0]=2 1411 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 7a_100000183590_200000210301 [0,1,0,0,0,0|1,0,0]=2 1412 B13R1.2209 CCC(=O)c1cc(ccc1OC)Cl 1458a_100000211409_100000210202 [0,1,0,0,0,0|1,0,0]=2 1413 B13R1.2209 CCC(=O)c1cc(ccc1OC)Cl 7a_100000181482_200000210301 [0,1,0,0,0,0|1,0,0]=2 1414 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 1458a_100000735445_100000210202 [0,1,0,0,0,0|1,0,0]=2 1415 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 34a_100000183209_200000210301 [0,1,0,0,0,0|1,0,0]=2 1416 B13R1.2209 CCC(=O)c1cc(ccc1OC)F 7a_100000183209_200000210301 [0,1,0,0,0,0|1,0,0]=2 1417 B13R1.2209 CCC(=O)c1cc(ccc1OC)I 1458a_100000230898_100000210202 [0,1,0,0,0,0|1,0,0]=2 1418 B13R1.2209 CCC(=O)c1cc(ccc1OC)O 1458a_200000100057_100000210202 [0,1,0,0,0,0|1,0,0]=2 1419 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])Br 7a_100000183607_200025704644 [0,1,0,0,0,0|1,0,0]=2 1420 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])C 7a_100000183590_200025704644 [0,1,0,0,0,0|1,0,0]=2 1421 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000181482_200025704644 [0,1,0,0,0,0|1,0,0]=2 1422 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])F 34a_100000183209_200025704644 [0,1,0,0,0,0|1,0,0]=2 1423 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])F 7a_100000183209_200025704644 [0,1,0,0,0,0|1,0,0]=2 1424 B13R1.2209 CCc1ccc(cc1C(=O)CF)Br 1458a_100012343961_100015361967 [0,1,0,0,0,0|3,0,0]=4 1425 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 11a_106832991635_100012343961 [0,1,0,0,0,0|2,0,0]=3 1426 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 1626a_100102657272_100012343961 [0,1,0,0,0,0|2,0,0]=3 1427 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 240690a_100102657272_100012343961 [0,1,0,0,0,0|2,0,0]=3 1428 B13R1.2209 CCc1ccc(cc1C(=O)NC)Br 527a_100102657272_100012343961 [0,1,0,0,0,0|2,0,0]=3 1429 B13R1.2209 CCc1ccc(cc1C(=O)OC)O 271570a_203496583355_100012360140 [0,1,0,0,0,0|1,0,0]=2 1430 B13R1.2209 CNC(=O)c1cc(ccc1C#N)F 11a_106832991635_100011217471 [0,1,0,0,0,0|3,0,0]=4 1431 B13R1.2209 CNC(=O)c1cc(ccc1C#N)F 1626a_100102657272_100011217471 [0,1,0,0,0,0|3,0,0]=4 1432 B13R1.2209 CNC(=O)c1cc(ccc1NC)Br 34a_100000690504_200000210301 [0,1,0,0,0,0|2,0,0]=3 1433 B13R1.2209 CNC(=O)c1cc(ccc1NC)Cl 27a_100102657272_200011279454 [0,1,0,0,0,0|2,0,0]=3 1434 B13R1.2209 CNC(=O)c1cc(ccc1NC)Cl 34a_100000739363_200000210301 [0,1,0,0,0,0|2,0,0]=3 1435 B13R1.2209 CNC(=O)c1cc(ccc1NC)F 27a_100102657272_200000206232 [0,1,0,0,0,0|2,0,0]=3 1436 B13R1.2209 CNC(=O)c1cc(ccc1N[13CH3])Br 34a_100000690504_200025704644 [0,1,0,0,0,0|2,0,0]=3 1437 B13R1.2209 CNC(=O)c1cc(ccc1N[13CH3])Cl 34a_100000739363_200025704644 [0,1,0,0,0,0|2,0,0]=3 1438 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 11a_106832991635_100000188853 [0,1,0,0,0,0|1,0,0]=2 1439 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 1626a_100102657272_100000188853 [0,1,0,0,0,0|1,0,0]=2 1440 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 240690a_100102657272_100000188853 [0,1,0,0,0,0|1,0,0]=2 1441 B13R1.2209 CNC(=O)c1cc(ccc1OC)Br 527a_100102657272_100000188853 [0,1,0,0,0,0|1,0,0]=2 1442 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 11a_106832991635_100000204667 [0,1,0,0,0,0|1,0,0]=2 1443 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 1626a_100102657272_100000204667 [0,1,0,0,0,0|1,0,0]=2 1444 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 240690a_100102657272_100000204667 [0,1,0,0,0,0|1,0,0]=2 1445 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 527a_100102657272_100000204667 [0,1,0,0,0,0|1,0,0]=2 1446 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 11a_106832991635_100000211409 [0,1,0,0,0,0|1,0,0]=2 1447 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 1626a_100102657272_100000211409 [0,1,0,0,0,0|1,0,0]=2 1448 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 240690a_100102657272_100000211409 [0,1,0,0,0,0|1,0,0]=2 1449 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl 527a_100102657272_100000211409 [0,1,0,0,0,0|1,0,0]=2 1450 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 11a_106832991635_100000735445 [0,1,0,0,0,0|1,0,0]=2 1451 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 1626a_100102657272_100000735445 [0,1,0,0,0,0|1,0,0]=2 1452 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 240690a_100102657272_100000735445 [0,1,0,0,0,0|1,0,0]=2 1453 B13R1.2209 CNC(=O)c1cc(ccc1OC)F 527a_100102657272_100000735445 [0,1,0,0,0,0|1,0,0]=2 1454 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 11a_106832991635_100000230898 [0,1,0,0,0,0|1,0,0]=2 1455 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 1626a_100102657272_100000230898 [0,1,0,0,0,0|1,0,0]=2 1456 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 240690a_100102657272_100000230898 [0,1,0,0,0,0|1,0,0]=2 1457 B13R1.2209 CNC(=O)c1cc(ccc1OC)I 527a_100102657272_100000230898 [0,1,0,0,0,0|1,0,0]=2 1458 B13R1.2209 CNC(=O)c1cc(ccc1OC)O 240690a_100102657272_200000100057 [0,1,0,0,0,0|1,0,0]=2 1459 B13R1.2209 CNC(=O)c1cc(ccc1OC)O 527a_100102657272_200000100057 [0,1,0,0,0,0|1,0,0]=2 1460 B13R1.2209 CNC(=O)c1cc(ccc1SC)Cl 62a_200000210301_200011279454 [0,1,0,0,0,0|1,1,0]=3 1461 B13R1.2209 CNC(=O)c1cc(ccc1SC)Cl 62a_200011279454_200000210301 [0,1,0,0,0,0|1,1,0]=3 1462 B13R1.2209 CNC(=O)c1cc(ccc1SC)F 62a_200000206232_200000210301 [0,1,0,0,0,0|1,1,0]=3 1463 B13R1.2209 CNC(=O)c1cc(ccc1SC)F 62a_200000210301_200000206232 [0,1,0,0,0,0|1,1,0]=3 1464 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])Cl 62a_200011279454_200025704644 [0,1,0,0,0,0|1,1,0]=3 1465 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])Cl 62a_200025704644_200011279454 [0,1,0,0,0,0|1,1,0]=3 1466 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])F 62a_200000206232_200025704644 [0,1,0,0,0,0|1,1,0]=3 1467 B13R1.2209 CNC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_200000206232 [0,1,0,0,0,0|1,1,0]=3 1468 B13R1.2209 CNC(C)c1cc(ccc1OC)Br 269862a_106832991636_100000173343 [0,1,0,0,0,0|2,0,1]=4 1469 B13R1.2209 CNC(C)c1cc(ccc1OC)C 269862a_106832991636_100000212259 [0,1,0,0,0,0|2,0,1]=4 1470 B13R1.2209 CNC(C)c1cc(ccc1OC)Cl 2230a_100011217627_200000210301 [0,1,0,0,0,0|2,0,1]=4 1471 B13R1.2209 CNC(C)c1cc(ccc1OC)Cl 269862a_106832991636_100000173345 [0,1,0,0,0,0|2,0,1]=4 1472 B13R1.2209 CNC(C)c1cc(ccc1OC)Cl 34a_100011217627_200000210301 [0,1,0,0,0,0|2,0,1]=4 1473 B13R1.2209 CNC(C)c1cc(ccc1OC)F 269862a_106832991636_100000173341 [0,1,0,0,0,0|2,0,1]=4 1474 B13R1.2209 CNc1ccc(cc1C(=O)OC)O 271570a_203496583355_200000216482 [0,1,0,0,0,0|1,0,0]=2 1475 B13R1.2209 CNc1ncc(cc1C(=O)OC)C 27a_100102657272_100000085774 [0,1,0,0,0,0|2,0,0]=3 1476 B13R1.2209 COC(=O)c1cc(ccc1C#N)O 271570a_203496583355_100010201442 [0,1,0,0,0,0|2,0,0]=3 1477 B13R1.2209 COC(=O)c1cc(ccc1C=O)O 271570a_203496583355_100012355575 [0,1,0,0,0,0|2,0,0]=3 1478 B13R1.2209 COC(=O)c1cc(ccc1CN)O 271570a_203496583355_100016992124 [0,1,0,0,0,0|2,0,0]=3 1479 B13R1.2209 COC(=O)c1cc(ccc1OC)Br 34a_100000149267_200000210301 [0,1,0,0,0,0|0,0,0]=1 1480 B13R1.2209 COC(=O)c1cc(ccc1OC)Br 7a_100000149267_200000210301 [0,1,0,0,0,0|0,0,0]=1 1481 B13R1.2209 COC(=O)c1cc(ccc1OC)C 34a_100000216618_200000210301 [0,1,0,0,0,0|0,0,0]=1 1482 B13R1.2209 COC(=O)c1cc(ccc1OC)C 7a_100000216618_200000210301 [0,1,0,0,0,0|0,0,0]=1 1483 B13R1.2209 COC(=O)c1cc(ccc1OC)Cl 34a_100000149278_200000210301 [0,1,0,0,0,0|0,0,0]=1 1484 B13R1.2209 COC(=O)c1cc(ccc1OC)Cl 7a_100000149278_200000210301 [0,1,0,0,0,0|0,0,0]=1 1485 B13R1.2209 COC(=O)c1cc(ccc1OC)F 34a_100011219540_200000210301 [0,1,0,0,0,0|0,0,0]=1 1486 B13R1.2209 COC(=O)c1cc(ccc1OC)F 7a_100011219540_200000210301 [0,1,0,0,0,0|0,0,0]=1 1487 B13R1.2209 COC(=O)c1cc(ccc1OC)I 34a_100000149868_200000210301 [0,1,0,0,0,0|0,0,0]=1 1488 B13R1.2209 COC(=O)c1cc(ccc1OC)I 7a_100000149868_200000210301 [0,1,0,0,0,0|0,0,0]=1 1489 B13R1.2209 COC(=O)c1cc(ccc1OC)N 34a_100011246163_200000210301 [0,1,0,0,0,0|0,0,0]=1 1490 B13R1.2209 COC(=O)c1cc(ccc1OC)N 7a_100011246163_200000210301 [0,1,0,0,0,0|0,0,0]=1 1491 B13R1.2209 COC(=O)c1cc(ccc1OC)O 271570a_203496583355_100012047238 [0,1,0,0,0,0|0,0,0]=1 1492 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Br 34a_100000149267_200025704644 [0,1,0,0,0,0|0,0,0]=1 1493 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Br 7a_100000149267_200025704644 [0,1,0,0,0,0|0,0,0]=1 1494 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])C 34a_100000216618_200025704644 [0,1,0,0,0,0|0,0,0]=1 1495 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])C 7a_100000216618_200025704644 [0,1,0,0,0,0|0,0,0]=1 1496 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000149278_200025704644 [0,1,0,0,0,0|0,0,0]=1 1497 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000149278_200025704644 [0,1,0,0,0,0|0,0,0]=1 1498 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])F 34a_100011219540_200025704644 [0,1,0,0,0,0|0,0,0]=1 1499 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])F 7a_100011219540_200025704644 [0,1,0,0,0,0|0,0,0]=1 1500 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])I 34a_100000149868_200025704644 [0,1,0,0,0,0|0,0,0]=1 1501 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])I 7a_100000149868_200025704644 [0,1,0,0,0,0|0,0,0]=1 1502 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])N 34a_100011246163_200025704644 [0,1,0,0,0,0|0,0,0]=1 1503 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])N 7a_100011246163_200025704644 [0,1,0,0,0,0|0,0,0]=1 1504 B13R1.2209 COC(=O)c1cc(ccc1SC)Br 62a_100000148213_200000210301 [0,1,0,0,0,0|0,1,0]=2 1505 B13R1.2209 COC(=O)c1cc(ccc1SC)Br 62a_200000210301_100000148213 [0,1,0,0,0,0|0,1,0]=2 1506 B13R1.2209 COC(=O)c1cc(ccc1SC)C 62a_100012339458_200000210301 [0,1,0,0,0,0|0,1,0]=2 1507 B13R1.2209 COC(=O)c1cc(ccc1SC)C 62a_200000210301_100012339458 [0,1,0,0,0,0|0,1,0]=2 1508 B13R1.2209 COC(=O)c1cc(ccc1SC)Cl 62a_100011294804_200000210301 [0,1,0,0,0,0|0,1,0]=2 1509 B13R1.2209 COC(=O)c1cc(ccc1SC)Cl 62a_200000210301_100011294804 [0,1,0,0,0,0|0,1,0]=2 1510 B13R1.2209 COC(=O)c1cc(ccc1SC)F 62a_100000205820_200000210301 [0,1,0,0,0,0|0,1,0]=2 1511 B13R1.2209 COC(=O)c1cc(ccc1SC)F 62a_200000210301_100000205820 [0,1,0,0,0,0|0,1,0]=2 1512 B13R1.2209 COC(=O)c1cc(ccc1SC)N 62a_100000696289_200000210301 [0,1,0,0,0,0|0,1,0]=2 1513 B13R1.2209 COC(=O)c1cc(ccc1SC)N 62a_200000210301_100011794239 [0,1,0,0,0,0|0,1,0]=2 1514 B13R1.2209 COC(=O)c1cc(ccc1SC)O 271570a_203496583355_200010204078 [0,1,0,0,0,0|0,1,0]=2 1515 B13R1.2209 COC(=O)c1cc(ccc1SC)O 62a_100010230369_200000210301 [0,1,0,0,0,0|0,1,0]=2 1516 B13R1.2209 COC(=O)c1cc(ccc1SC)O 62a_200000210301_100010230369 [0,1,0,0,0,0|0,1,0]=2 1517 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Br 62a_100000148213_200025704644 [0,1,0,0,0,0|0,1,0]=2 1518 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Br 62a_200025704644_100000148213 [0,1,0,0,0,0|0,1,0]=2 1519 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])C 62a_100012339458_200025704644 [0,1,0,0,0,0|0,1,0]=2 1520 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012339458 [0,1,0,0,0,0|0,1,0]=2 1521 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Cl 62a_100011294804_200025704644 [0,1,0,0,0,0|0,1,0]=2 1522 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])Cl 62a_200025704644_100011294804 [0,1,0,0,0,0|0,1,0]=2 1523 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])F 62a_100000205820_200025704644 [0,1,0,0,0,0|0,1,0]=2 1524 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100000205820 [0,1,0,0,0,0|0,1,0]=2 1525 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])N 62a_100000696289_200025704644 [0,1,0,0,0,0|0,1,0]=2 1526 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])N 62a_200025704644_100011794239 [0,1,0,0,0,0|0,1,0]=2 1527 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])O 62a_100010230369_200025704644 [0,1,0,0,0,0|0,1,0]=2 1528 B13R1.2209 COC(=O)c1cc(ccc1S[13CH3])O 62a_200025704644_100010230369 [0,1,0,0,0,0|0,1,0]=2 1529 B13R1.2209 COC(=O)c1cc(cnc1OC)O 271570a_203496583355_100000698521 [0,1,0,0,0,0|1,0,0]=2 1530 B13R1.2209 COC(=O)c1cc(cnc1SC)C 62a_100010162703_200000210301 [0,1,0,0,0,0|1,1,0]=3 1531 B13R1.2209 COC(=O)c1cc(cnc1SC)C 62a_200000210301_100000085774 [0,1,0,0,0,0|1,1,0]=3 1532 B13R1.2209 COC(=O)c1cc(cnc1SC)F 62a_100012000215_200000210301 [0,1,0,0,0,0|1,1,0]=3 1533 B13R1.2209 COC(=O)c1cc(cnc1SC)F 62a_200000210301_100012000215 [0,1,0,0,0,0|1,1,0]=3 1534 B13R1.2209 COC(=O)c1cc(cnc1SC)N 62a_200000210301_200012182668 [0,1,0,0,0,0|1,1,0]=3 1535 B13R1.2209 COC(=O)c1cc(cnc1SC)N 62a_200012182668_200000210301 [0,1,0,0,0,0|1,1,0]=3 1536 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])C 62a_100010162703_200025704644 [0,1,0,0,0,0|1,1,0]=3 1537 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])C 62a_200025704644_100000085774 [0,1,0,0,0,0|1,1,0]=3 1538 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])F 62a_100012000215_200025704644 [0,1,0,0,0,0|1,1,0]=3 1539 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])F 62a_200025704644_100012000215 [0,1,0,0,0,0|1,1,0]=3 1540 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])N 62a_200012182668_200025704644 [0,1,0,0,0,0|1,1,0]=3 1541 B13R1.2209 COC(=O)c1cc(cnc1S[13CH3])N 62a_200025704644_200012182668 [0,1,0,0,0,0|1,1,0]=3 1542 B13R1.2209 COC(=O)c1cc(ncc1OC)Br 34a_100010136202_200000210301 [0,1,0,0,0,0|1,0,0]=2 1543 B13R1.2209 COC(=O)c1cc(ncc1OC)Br 7a_100010136202_200000210301 [0,1,0,0,0,0|1,0,0]=2 1544 B13R1.2209 COC(=O)c1cc(ncc1O[13CH3])Br 34a_100010136202_200025704644 [0,1,0,0,0,0|1,0,0]=2 1545 B13R1.2209 COC(=O)c1cc(ncc1O[13CH3])Br 7a_100010136202_200025704644 [0,1,0,0,0,0|1,0,0]=2 1546 B13R1.2209 COC(=O)c1cc(ncc1SC)N 62a_100011934820_200000210301 [0,1,0,0,0,0|1,1,0]=3 1547 B13R1.2209 COC(=O)c1cc(ncc1SC)N 62a_200000210301_100011934820 [0,1,0,0,0,0|1,1,0]=3 1548 B13R1.2209 COC(=O)c1cc(ncc1SC)O 62a_100009816900_200000210301 [0,1,0,0,0,0|1,1,0]=3 1549 B13R1.2209 COC(=O)c1cc(ncc1SC)O 62a_200000210301_100009816900 [0,1,0,0,0,0|1,1,0]=3 1550 B13R1.2209 COC(=O)c1cc(ncc1S[13CH3])N 62a_100011934820_200025704644 [0,1,0,0,0,0|1,1,0]=3 1551 B13R1.2209 COC(=O)c1cc(ncc1S[13CH3])N 62a_200025704644_100011934820 [0,1,0,0,0,0|1,1,0]=3 1552 B13R1.2209 COC(=O)c1cc(ncc1S[13CH3])O 62a_100009816900_200025704644 [0,1,0,0,0,0|1,1,0]=3 1553 B13R1.2209 COC(=O)c1cc(ncc1S[13CH3])O 62a_200025704644_100009816900 [0,1,0,0,0,0|1,1,0]=3 1554 B13R1.2209 COC(=O)c1nc(=O)[nH]cc1SC 62a_200000210301_100000093369 [0,1,0,0,0,0|2,1,0]=4 1555 B13R1.2209 COC(=O)c1nc(=O)[nH]cc1S[13CH3] 62a_200025704644_100000093369 [0,1,0,0,0,0|2,1,0]=4 1556 B13R1.2209 COC(=O)c1nc(ccc1OC)Br 34a_100000697862_200000210301 [0,1,0,0,0,0|1,0,0]=2 1557 B13R1.2209 COC(=O)c1nc(ccc1OC)Br 7a_100000697862_200000210301 [0,1,0,0,0,0|1,0,0]=2 1558 B13R1.2209 COC(=O)c1nc(ccc1OC)C 34a_100009869402_200000210301 [0,1,0,0,0,0|1,0,0]=2 1559 B13R1.2209 COC(=O)c1nc(ccc1OC)C 7a_100009869402_200000210301 [0,1,0,0,0,0|1,0,0]=2 1560 B13R1.2209 COC(=O)c1nc(ccc1OC)O 271570a_203496583355_100010136180 [0,1,0,0,0,0|1,0,0]=2 1561 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])Br 34a_100000697862_200025704644 [0,1,0,0,0,0|1,0,0]=2 1562 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])Br 7a_100000697862_200025704644 [0,1,0,0,0,0|1,0,0]=2 1563 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])C 34a_100009869402_200025704644 [0,1,0,0,0,0|1,0,0]=2 1564 B13R1.2209 COC(=O)c1nc(ccc1O[13CH3])C 7a_100009869402_200025704644 [0,1,0,0,0,0|1,0,0]=2 1565 B13R1.2209 COC(=O)c1nc(ccc1SC)N 62a_100009816986_200000210301 [0,1,0,0,0,0|1,1,0]=3 1566 B13R1.2209 COC(=O)c1nc(ccc1S[13CH3])N 62a_100009816986_200025704644 [0,1,0,0,0,0|1,1,0]=3 1567 B13R1.2209 COC(=O)c1nc(cnc1OC)O 271570a_203496583355_200010231768 [0,1,0,0,0,0|2,0,0]=3 1568 B13R1.2209 COC(=O)c1nc(ncc1SC)N 62a_100010219261_200000210301 [0,1,0,0,0,0|2,1,0]=4 1569 B13R1.2209 COC(=O)c1nc(ncc1SC)N 62a_200000210301_100010219261 [0,1,0,0,0,0|2,1,0]=4 1570 B13R1.2209 COC(=O)c1nc(ncc1S[13CH3])N 62a_100010219261_200025704644 [0,1,0,0,0,0|2,1,0]=4 1571 B13R1.2209 COC(=O)c1nc(ncc1S[13CH3])N 62a_200025704644_100010219261 [0,1,0,0,0,0|2,1,0]=4 1572 B13R1.2209 COc1ccc(cc1C(=O)CBr)Br 7a_200009828000_200000210301 [0,1,0,0,0,0|2,0,0]=3 1573 B13R1.2209 COc1ccc(cc1C(=O)CBr)Cl 7a_200009816716_200000210301 [0,1,0,0,0,0|2,0,0]=3 1574 B13R1.2209 COc1ccc(cc1C(=O)CBr)F 7a_100009814381_200000210301 [0,1,0,0,0,0|2,0,0]=3 1575 B13R1.2209 COc1ccc(cc1C(=O)CCl)F 7a_100000047744_200000210301 [0,1,0,0,0,0|2,0,0]=3 1576 B13R1.2209 COc1ccc(cc1C(=O)CF)Br 1458a_100000188853_100015361967 [0,1,0,0,0,0|2,0,0]=3 1577 B13R1.2209 COc1ccc(cc1C(=O)CF)C 1458a_100000204667_100015361967 [0,1,0,0,0,0|2,0,0]=3 1578 B13R1.2209 COc1ccc(cc1C(=O)CF)Cl 1458a_100000211409_100015361967 [0,1,0,0,0,0|2,0,0]=3 1579 B13R1.2209 COc1ccc(cc1C(=O)CF)F 1458a_100000735445_100015361967 [0,1,0,0,0,0|2,0,0]=3 1580 B13R1.2209 COc1ccc(cc1C(=O)CF)I 1458a_100000230898_100015361967 [0,1,0,0,0,0|2,0,0]=3 1581 B13R1.2209 COc1ccc(cc1C(=O)CF)O 1458a_200000100057_100015361967 [0,1,0,0,0,0|2,0,0]=3 1582 B13R1.2209 COc1ccc(cc1C(=O)NN)Br 34a_100000193350_200000210301 [0,1,0,0,0,0|2,0,0]=3 1583 B13R1.2209 COc1ccc(cc1C(=O)NN)C 34a_200000193374_200000210301 [0,1,0,0,0,0|2,0,0]=3 1584 B13R1.2209 COc1ccc(cc1C(=O)NO)Cl 34a_100000199126_200000210301 [0,1,0,0,0,0|2,0,0]=3 1585 B13R1.2209 COc1ccc(cc1C(C)N[13CH3])Cl 2230a_100011217627_200025704644 [0,1,0,0,0,0|2,0,1]=4 1586 B13R1.2209 COc1ccc(cc1C(C)N[13CH3])Cl 34a_100011217627_200025704644 [0,1,0,0,0,0|2,0,1]=4 1587 B13R1.2209 COc1ccc(cc1C(C)OC)Cl 34a_100011598618_200000210301 [0,1,0,0,0,0|1,0,1]=3 1588 B13R1.2209 COc1ccc(cc1C(C)OC)Cl 7a_100011598618_200000210301 [0,1,0,0,0,0|1,0,1]=3 1589 B13R1.2209 COc1ccc(cc1C(C)OC)F 34a_100011305292_200000210301 [0,1,0,0,0,0|1,0,1]=3 1590 B13R1.2209 COc1ccc(cc1C(C)OC)F 7a_100011305292_200000210301 [0,1,0,0,0,0|1,0,1]=3 1591 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])Cl 34a_100011598618_200025704644 [0,1,0,0,0,0|1,0,1]=3 1592 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])Cl 7a_100011598618_200025704644 [0,1,0,0,0,0|1,0,1]=3 1593 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])F 34a_100011305292_200025704644 [0,1,0,0,0,0|1,0,1]=3 1594 B13R1.2209 COc1ccc(cc1C(C)O[13CH3])F 7a_100011305292_200025704644 [0,1,0,0,0,0|1,0,1]=3 1595 B13R1.2209 CSc1ccc(cc1C(=O)NN)F 62a_100000205862_200000210301 [0,1,0,0,0,0|2,1,0]=4 1596 B13R1.2209 CSc1ccc(cc1C(=O)NN)F 62a_200000210301_100000205862 [0,1,0,0,0,0|2,1,0]=4 1597 B13R1.2209 Cc1ccc(c(c1)C(=O)NN)O[13CH3] 34a_200000193374_200025704644 [0,1,0,0,0,0|2,0,0]=3 1598 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CBr)Br 7a_200009828000_200025704644 [0,1,0,0,0,0|2,0,0]=3 1599 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CBr)Cl 7a_200009816716_200025704644 [0,1,0,0,0,0|2,0,0]=3 1600 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CBr)F 7a_100009814381_200025704644 [0,1,0,0,0,0|2,0,0]=3 1601 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)CCl)F 7a_100000047744_200025704644 [0,1,0,0,0,0|2,0,0]=3 1602 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)NN)Br 34a_100000193350_200025704644 [0,1,0,0,0,0|2,0,0]=3 1603 B13R1.2209 [13CH3]Oc1ccc(cc1C(=O)NO)Cl 34a_100000199126_200025704644 [0,1,0,0,0,0|2,0,0]=3 1604 B13R1.2209 [13CH3]Sc1ccc(cc1C(=O)NN)F 62a_100000205862_200025704644 [0,1,0,0,0,0|2,1,0]=4 1605 B13R1.2209 [13CH3]Sc1ccc(cc1C(=O)NN)F 62a_200025704644_100000205862 [0,1,0,0,0,0|2,1,0]=4 1606 B13R1.2357 C=Cc1cccc(c1C(=O)NC)F 271570a_100011290941_100012642803 [0,1,0,0,0,0|2,0,1]=4 1607 B13R1.2357 C=Cc1cccc(c1C(=O)OC)Br 271570a_100011290941_100010247157 [0,1,0,0,0,0|1,0,1]=3 1608 B13R1.2357 C=Cc1cccc(c1C(=O)OC)C 271570a_100011290941_100010204206 [0,1,0,0,0,0|1,0,1]=3 1609 B13R1.2357 C=Cc1cccc(c1C(=O)OC)Cl 271570a_100011290941_100010150959 [0,1,0,0,0,0|1,0,1]=3 1610 B13R1.2357 C=Cc1cccc(c1C(=O)OC)F 271570a_100011290941_100000150693 [0,1,0,0,0,0|1,0,1]=3 1611 B13R1.2357 C=Cc1cccc(c1C(=O)OC)N 271570a_100011290941_100010253892 [0,1,0,0,0,0|1,0,1]=3 1612 B13R1.2357 C=Cc1ccnc(c1C(=O)OC)Cl 271570a_100011290941_100010138530 [0,1,0,0,0,0|2,0,1]=4 1613 B13R1.2357 C=Cc1ccnc(c1C(=O)OC)F 271570a_100011290941_100010150474 [0,1,0,0,0,0|2,0,1]=4 1614 B13R1.2357 C=Cc1cncc(c1C(=O)OC)F 271570a_100011290941_100010189632 [0,1,0,0,0,0|2,0,1]=4 1615 B13R1.2357 C=Cc1nccc(c1C(=O)OC)F 271570a_100011290941_100015560809 [0,1,0,0,0,0|2,0,1]=4 1616 B13R1.2357 C=Cc1nccc(c1C(=O)OC)N 271570a_100011290941_100009985557 [0,1,0,0,0,0|2,0,1]=4 1617 B13R1.2357 CCC(=O)c1c(cccc1C#N)Br 1458a_200010145881_100000210202 [0,1,0,0,0,0|3,0,0]=4 1618 B13R1.2357 CCC(=O)c1c(cccc1OC)Br 1458a_100011593405_100000210202 [0,1,0,0,0,0|1,0,0]=2 1619 B13R1.2357 CCC(=O)c1c(cccc1OC)C 1458a_100000066212_100000210202 [0,1,0,0,0,0|1,0,0]=2 1620 B13R1.2357 CCC(=O)c1c(cccc1OC)Cl 1458a_100000743539_100000210202 [0,1,0,0,0,0|1,0,0]=2 1621 B13R1.2357 CCC(=O)c1c(cccc1OC)F 1458a_100000759380_100000210202 [0,1,0,0,0,0|1,0,0]=2 1622 B13R1.2357 CCC(=O)c1c(cccc1OC)I 1458a_100010179659_100000210202 [0,1,0,0,0,0|1,0,0]=2 1623 B13R1.2357 CCC(=O)c1c(cccc1OC)O 1458a_100000043310_100000210202 [0,1,0,0,0,0|1,0,0]=2 1624 B13R1.2357 CNC(=O)c1c(cccc1C#N)Br 240690a_100102657272_200010145881 [0,1,0,0,0,0|3,0,0]=4 1625 B13R1.2357 CNC(=O)c1c(cccc1NC)F 27a_100102657272_100012642803 [0,1,0,0,0,0|2,0,0]=3 1626 B13R1.2357 CNC(=O)c1c(cccc1OC)Br 11a_106832991635_100011593405 [0,1,0,0,0,0|1,0,0]=2 1627 B13R1.2357 CNC(=O)c1c(cccc1OC)Br 1626a_100102657272_100011593405 [0,1,0,0,0,0|1,0,0]=2 1628 B13R1.2357 CNC(=O)c1c(cccc1OC)Br 240690a_100102657272_100011593405 [0,1,0,0,0,0|1,0,0]=2 1629 B13R1.2357 CNC(=O)c1c(cccc1OC)Br 527a_100102657272_100011593405 [0,1,0,0,0,0|1,0,0]=2 1630 B13R1.2357 CNC(=O)c1c(cccc1OC)C 11a_106832991635_100000066212 [0,1,0,0,0,0|1,0,0]=2 1631 B13R1.2357 CNC(=O)c1c(cccc1OC)C 1626a_100102657272_100000066212 [0,1,0,0,0,0|1,0,0]=2 1632 B13R1.2357 CNC(=O)c1c(cccc1OC)C 240690a_100102657272_100000066212 [0,1,0,0,0,0|1,0,0]=2 1633 B13R1.2357 CNC(=O)c1c(cccc1OC)Cl 11a_106832991635_100000743539 [0,1,0,0,0,0|1,0,0]=2 1634 B13R1.2357 CNC(=O)c1c(cccc1OC)Cl 1626a_100102657272_100000743539 [0,1,0,0,0,0|1,0,0]=2 1635 B13R1.2357 CNC(=O)c1c(cccc1OC)Cl 240690a_100102657272_100000743539 [0,1,0,0,0,0|1,0,0]=2 1636 B13R1.2357 CNC(=O)c1c(cccc1OC)Cl 527a_100102657272_100000743539 [0,1,0,0,0,0|1,0,0]=2 1637 B13R1.2357 CNC(=O)c1c(cccc1OC)F 11a_106832991635_100000759380 [0,1,0,0,0,0|1,0,0]=2 1638 B13R1.2357 CNC(=O)c1c(cccc1OC)F 1626a_100102657272_100000759380 [0,1,0,0,0,0|1,0,0]=2 1639 B13R1.2357 CNC(=O)c1c(cccc1OC)F 240690a_100102657272_100000759380 [0,1,0,0,0,0|1,0,0]=2 1640 B13R1.2357 CNC(=O)c1c(cccc1OC)F 527a_100102657272_100000759380 [0,1,0,0,0,0|1,0,0]=2 1641 B13R1.2357 CNC(=O)c1c(cccc1OC)I 11a_106832991635_100010179659 [0,1,0,0,0,0|1,0,0]=2 1642 B13R1.2357 CNC(=O)c1c(cccc1OC)I 1626a_100102657272_100010179659 [0,1,0,0,0,0|1,0,0]=2 1643 B13R1.2357 CNC(=O)c1c(cccc1OC)I 240690a_100102657272_100010179659 [0,1,0,0,0,0|1,0,0]=2 1644 B13R1.2357 CNC(=O)c1c(cccc1OC)I 527a_100102657272_100010179659 [0,1,0,0,0,0|1,0,0]=2 1645 B13R1.2357 CNC(=O)c1c(cccc1OC)O 240690a_100102657272_100000043310 [0,1,0,0,0,0|1,0,0]=2 1646 B13R1.2357 CNC(=O)c1c(cccc1SC)F 62a_100012642803_200000210301 [0,1,0,0,0,0|1,1,0]=3 1647 B13R1.2357 CNC(=O)c1c(cccc1SC)F 62a_200000210301_100012642803 [0,1,0,0,0,0|1,1,0]=3 1648 B13R1.2357 CNC(=O)c1c(cccc1S[13CH3])F 62a_100012642803_200025704644 [0,1,0,0,0,0|1,1,0]=3 1649 B13R1.2357 CNC(=O)c1c(cccc1S[13CH3])F 62a_200025704644_100012642803 [0,1,0,0,0,0|1,1,0]=3 1650 B13R1.2357 CN[C@@H](C)c1c(cccc1OC)F 2230a_100025712826_200000210301 [0,1,0,0,0,0|2,0,1]=4 1651 B13R1.2357 CN[C@@H](C)c1c(cccc1OC)F 34a_100025712826_200000210301 [0,1,0,0,0,0|2,0,1]=4 1652 B13R1.2357 COC(=O)c1c(cccc1C#N)O 271570a_203496583355_100009843633 [0,1,0,0,0,0|2,0,0]=3 1653 B13R1.2357 COC(=O)c1c(cccc1OC)C 34a_100000084604_200000210301 [0,1,0,0,0,0|0,0,0]=1 1654 B13R1.2357 COC(=O)c1c(cccc1OC)C 7a_100000084604_200000210301 [0,1,0,0,0,0|0,0,0]=1 1655 B13R1.2357 COC(=O)c1c(cccc1OC)Cl 34a_200000055445_200000210301 [0,1,0,0,0,0|0,0,0]=1 1656 B13R1.2357 COC(=O)c1c(cccc1OC)Cl 7a_200000055445_200000210301 [0,1,0,0,0,0|0,0,0]=1 1657 B13R1.2357 COC(=O)c1c(cccc1OC)F 34a_100011216559_200000210301 [0,1,0,0,0,0|0,0,0]=1 1658 B13R1.2357 COC(=O)c1c(cccc1OC)F 7a_100011216559_200000210301 [0,1,0,0,0,0|0,0,0]=1 1659 B13R1.2357 COC(=O)c1c(cccc1OC)O 271570a_203496583355_100010189552 [0,1,0,0,0,0|0,0,0]=1 1660 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])C 34a_100000084604_200025704644 [0,1,0,0,0,0|0,0,0]=1 1661 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])C 7a_100000084604_200025704644 [0,1,0,0,0,0|0,0,0]=1 1662 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])Cl 34a_200000055445_200025704644 [0,1,0,0,0,0|0,0,0]=1 1663 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])Cl 7a_200000055445_200025704644 [0,1,0,0,0,0|0,0,0]=1 1664 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])F 34a_100011216559_200025704644 [0,1,0,0,0,0|0,0,0]=1 1665 B13R1.2357 COC(=O)c1c(cccc1O[13CH3])F 7a_100011216559_200025704644 [0,1,0,0,0,0|0,0,0]=1 1666 B13R1.2357 COC(=O)c1c(cccc1SC)Br 62a_100010247157_200000210301 [0,1,0,0,0,0|0,1,0]=2 1667 B13R1.2357 COC(=O)c1c(cccc1SC)Br 62a_200000210301_100010247157 [0,1,0,0,0,0|0,1,0]=2 1668 B13R1.2357 COC(=O)c1c(cccc1SC)C 62a_100010204206_200000210301 [0,1,0,0,0,0|0,1,0]=2 1669 B13R1.2357 COC(=O)c1c(cccc1SC)C 62a_200000210301_100010204206 [0,1,0,0,0,0|0,1,0]=2 1670 B13R1.2357 COC(=O)c1c(cccc1SC)Cl 62a_100010150959_200000210301 [0,1,0,0,0,0|0,1,0]=2 1671 B13R1.2357 COC(=O)c1c(cccc1SC)Cl 62a_200000210301_100010150959 [0,1,0,0,0,0|0,1,0]=2 1672 B13R1.2357 COC(=O)c1c(cccc1SC)F 62a_100000150693_200000210301 [0,1,0,0,0,0|0,1,0]=2 1673 B13R1.2357 COC(=O)c1c(cccc1SC)F 62a_200000210301_100000150693 [0,1,0,0,0,0|0,1,0]=2 1674 B13R1.2357 COC(=O)c1c(cccc1SC)N 62a_100010253892_200000210301 [0,1,0,0,0,0|0,1,0]=2 1675 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])Br 62a_100010247157_200025704644 [0,1,0,0,0,0|0,1,0]=2 1676 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])Br 62a_200025704644_100010247157 [0,1,0,0,0,0|0,1,0]=2 1677 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])C 62a_100010204206_200025704644 [0,1,0,0,0,0|0,1,0]=2 1678 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])C 62a_200025704644_100010204206 [0,1,0,0,0,0|0,1,0]=2 1679 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])Cl 62a_100010150959_200025704644 [0,1,0,0,0,0|0,1,0]=2 1680 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])Cl 62a_200025704644_100010150959 [0,1,0,0,0,0|0,1,0]=2 1681 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])F 62a_100000150693_200025704644 [0,1,0,0,0,0|0,1,0]=2 1682 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])F 62a_200025704644_100000150693 [0,1,0,0,0,0|0,1,0]=2 1683 B13R1.2357 COC(=O)c1c(cccc1S[13CH3])N 62a_100010253892_200025704644 [0,1,0,0,0,0|0,1,0]=2 1684 B13R1.2357 COC(=O)c1c(ccnc1Cl)SC 62a_200000210301_100010138530 [0,1,0,0,0,0|1,1,0]=3 1685 B13R1.2357 COC(=O)c1c(ccnc1Cl)S[13CH3] 62a_200025704644_100010138530 [0,1,0,0,0,0|1,1,0]=3 1686 B13R1.2357 COC(=O)c1c(ccnc1F)SC 62a_100010150474_200000210301 [0,1,0,0,0,0|1,1,0]=3 1687 B13R1.2357 COC(=O)c1c(ccnc1F)SC 62a_200000210301_100010150474 [0,1,0,0,0,0|1,1,0]=3 1688 B13R1.2357 COC(=O)c1c(ccnc1F)S[13CH3] 62a_100010150474_200025704644 [0,1,0,0,0,0|1,1,0]=3 1689 B13R1.2357 COC(=O)c1c(ccnc1F)S[13CH3] 62a_200025704644_100010150474 [0,1,0,0,0,0|1,1,0]=3 1690 B13R1.2357 COC(=O)c1c(ccnc1O)OC 271570a_203496583355_200010142525 [0,1,0,0,0,0|1,0,0]=2 1691 B13R1.2357 COC(=O)c1c(ccnc1OC)O 271570a_203496583355_100010136349 [0,1,0,0,0,0|1,0,0]=2 1692 B13R1.2357 COC(=O)c1c(ccnc1SC)F 62a_100015560809_200000210301 [0,1,0,0,0,0|1,1,0]=3 1693 B13R1.2357 COC(=O)c1c(ccnc1SC)F 62a_200000210301_100015560809 [0,1,0,0,0,0|1,1,0]=3 1694 B13R1.2357 COC(=O)c1c(ccnc1SC)N 62a_200000210301_100009985557 [0,1,0,0,0,0|1,1,0]=3 1695 B13R1.2357 COC(=O)c1c(ccnc1S[13CH3])F 62a_100015560809_200025704644 [0,1,0,0,0,0|1,1,0]=3 1696 B13R1.2357 COC(=O)c1c(ccnc1S[13CH3])F 62a_200025704644_100015560809 [0,1,0,0,0,0|1,1,0]=3 1697 B13R1.2357 COC(=O)c1c(ccnc1S[13CH3])N 62a_200025704644_100009985557 [0,1,0,0,0,0|1,1,0]=3 1698 B13R1.2357 COC(=O)c1c(cncc1SC)F 62a_100010189632_200000210301 [0,1,0,0,0,0|1,1,0]=3 1699 B13R1.2357 COC(=O)c1c(cncc1SC)F 62a_200000210301_100010189632 [0,1,0,0,0,0|1,1,0]=3 1700 B13R1.2357 COC(=O)c1c(cncc1S[13CH3])F 62a_100010189632_200025704644 [0,1,0,0,0,0|1,1,0]=3 1701 B13R1.2357 COC(=O)c1c(cncc1S[13CH3])F 62a_200025704644_100010189632 [0,1,0,0,0,0|1,1,0]=3 1702 B13R1.2357 COC(=O)c1c(ncnc1SC)N 62a_200000210301_200021259019 [0,1,0,0,0,0|2,1,0]=4 1703 B13R1.2357 COC(=O)c1c(ncnc1SC)N 62a_200021259019_200000210301 [0,1,0,0,0,0|2,1,0]=4 1704 B13R1.2357 COC(=O)c1c(ncnc1S[13CH3])N 62a_200021259019_200025704644 [0,1,0,0,0,0|2,1,0]=4 1705 B13R1.2357 COC(=O)c1c(ncnc1S[13CH3])N 62a_200025704644_200021259019 [0,1,0,0,0,0|2,1,0]=4 1706 B13R1.2357 COc1cccc(c1C(=O)CF)Br 1458a_100011593405_100015361967 [0,1,0,0,0,0|2,0,0]=3 1707 B13R1.2357 COc1cccc(c1C(=O)CF)C 1458a_100000066212_100015361967 [0,1,0,0,0,0|2,0,0]=3 1708 B13R1.2357 COc1cccc(c1C(=O)CF)Cl 1458a_100000743539_100015361967 [0,1,0,0,0,0|2,0,0]=3 1709 B13R1.2357 COc1cccc(c1C(=O)CF)F 1458a_100000759380_100015361967 [0,1,0,0,0,0|2,0,0]=3 1710 B13R1.2357 COc1cccc(c1C(=O)CF)I 1458a_100010179659_100015361967 [0,1,0,0,0,0|2,0,0]=3 1711 B13R1.2357 COc1cccc(c1C(=O)CF)O 1458a_100000043310_100015361967 [0,1,0,0,0,0|2,0,0]=3 1712 B13R1.2357 COc1cccc(c1[C@H](C)N[13CH3])F 2230a_100025712826_200025704644 [0,1,0,0,0,0|2,0,1]=4 1713 B13R1.2357 COc1cccc(c1[C@H](C)N[13CH3])F 34a_100025712826_200025704644 [0,1,0,0,0,0|2,0,1]=4 1714 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [0,0,0,1,0,0|2,0,1]=4 1715 B13R2.582 C=Cc1cccc2c1C(=O)CC2 271570a_100011290941_100009816781 [0,0,0,1,0,0|2,0,1]=4 1716 B13R2.582 C=Cc1cccc2c1C(=O)NC2 271570a_100011290941_100000724024 [0,0,0,1,0,0|2,0,1]=4 1717 B13R2.582 C=Cc1cccc2c1C(=O)OC2 271570a_100011290941_100010132333 [0,0,0,1,0,0|1,0,1]=3 1718 B13R2.582 COc1cccc2c1C(=O)CC2 34a_100000066596_200000210301 [0,0,0,1,0,0|1,0,0]=2 1719 B13R2.582 COc1cccc2c1C(=O)CC2 7a_100000066596_200000210301 [0,0,0,1,0,0|1,0,0]=2 1720 B13R2.582 COc1cccc2c1C(=O)CO2 34a_200009856558_200000210301 [0,0,0,1,0,0|2,0,0]=3 1721 B13R2.582 COc1cccc2c1c(n[nH]2)O 271570a_203496583355_100010231497 [0,0,0,1,0,0|2,0,1]=4 1722 B13R2.582 CSc1cccc2c1C(=O)CC2 62a_100009816781_200000210301 [0,0,0,1,0,0|1,1,0]=3 1723 B13R2.582 CSc1cccc2c1C(=O)CC2 62a_200000210301_100009816781 [0,0,0,1,0,0|1,1,0]=3 1724 B13R2.582 CSc1cccc2c1C(=O)CO2 62a_200000210301_100010205902 [0,0,0,1,0,0|2,1,0]=4 1725 B13R2.582 CSc1cccc2c1C(=O)NC2 62a_100000724024_200000210301 [0,0,0,1,0,0|1,1,0]=3 1726 B13R2.582 CSc1cccc2c1C(=O)NC2 62a_200000210301_100000724024 [0,0,0,1,0,0|1,1,0]=3 1727 B13R2.582 CSc1cccc2c1C(=O)OC2 62a_100010132333_200000210301 [0,0,0,1,0,0|0,1,0]=2 1728 B13R2.582 [13CH3]Oc1cccc2c1C(=O)CC2 34a_100000066596_200025704644 [0,0,0,1,0,0|1,0,0]=2 1729 B13R2.582 [13CH3]Oc1cccc2c1C(=O)CC2 7a_100000066596_200025704644 [0,0,0,1,0,0|1,0,0]=2 1730 B13R2.582 [13CH3]Oc1cccc2c1C(=O)CO2 34a_200009856558_200025704644 [0,0,0,1,0,0|2,0,0]=3 1731 B13R2.582 [13CH3]Sc1cccc2c1C(=O)CC2 62a_100009816781_200025704644 [0,0,0,1,0,0|1,1,0]=3 1732 B13R2.582 [13CH3]Sc1cccc2c1C(=O)CC2 62a_200025704644_100009816781 [0,0,0,1,0,0|1,1,0]=3 1733 B13R2.582 [13CH3]Sc1cccc2c1C(=O)CO2 62a_200025704644_100010205902 [0,0,0,1,0,0|2,1,0]=4 1734 B13R2.582 [13CH3]Sc1cccc2c1C(=O)NC2 62a_100000724024_200025704644 [0,0,0,1,0,0|1,1,0]=3 1735 B13R2.582 [13CH3]Sc1cccc2c1C(=O)NC2 62a_200025704644_100000724024 [0,0,0,1,0,0|1,1,0]=3 1736 B13R2.582 [13CH3]Sc1cccc2c1C(=O)OC2 62a_100010132333_200025704644 [0,0,0,1,0,0|0,1,0]=2 1737 B13R2.1613 CNC1CCOc2c1cccc2 2230a_100015190321_200000210301 [0,0,0,1,0,0|2,0,1]=4 1738 B13R2.1613 COC1CCCc2c1cccc2 34a_100000183665_200000210301 [0,0,0,1,0,0|2,0,1]=4 1739 B13R2.1613 COC1CCCc2c1cccc2 7a_100000183665_200000210301 [0,0,0,1,0,0|2,0,1]=4 1740 B13R2.1613 COC1CCOc2c1cccc2 7a_100000708930_200000210301 [0,0,0,1,0,0|1,0,1]=3 1741 B13R2.1613 COc1cccc2c1cccc2 34a_100000210388_200000210301 [0,0,0,1,0,0|2,0,1]=4 1742 B13R2.1613 COc1cccc2c1cccc2 7a_100000210388_200000210301 [0,0,0,1,0,0|2,0,1]=4 1743 B13R2.1613 COc1cncc2c1cccc2 34a_100000066178_200000210301 [0,0,0,1,0,0|3,0,0]=4 1744 B13R2.1613 COc1cncc2c1cccc2 7a_100000066178_200000210301 [0,0,0,1,0,0|3,0,0]=4 1745 B13R2.1613 COc1nccc2c1cccc2 34a_102531767632_200000210301 [0,0,0,1,0,0|2,0,1]=4 1746 B13R2.1613 [13CH3]NC1CCOc2c1cccc2 2230a_100015190321_200025704644 [0,0,0,1,0,0|2,0,1]=4 1747 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 34a_100000183665_200025704644 [0,0,0,1,0,0|2,0,1]=4 1748 B13R2.1613 [13CH3]OC1CCCc2c1cccc2 7a_100000183665_200025704644 [0,0,0,1,0,0|2,0,1]=4 1749 B13R2.1613 [13CH3]OC1CCOc2c1cccc2 7a_100000708930_200025704644 [0,0,0,1,0,0|1,0,1]=3 1750 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 34a_100000210388_200025704644 [0,0,0,1,0,0|2,0,1]=4 1751 B13R2.1613 [13CH3]Oc1cccc2c1cccc2 7a_100000210388_200025704644 [0,0,0,1,0,0|2,0,1]=4 1752 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 34a_100000066178_200025704644 [0,0,0,1,0,0|3,0,0]=4 1753 B13R2.1613 [13CH3]Oc1cncc2c1cccc2 7a_100000066178_200025704644 [0,0,0,1,0,0|3,0,0]=4 1754 B13R2.1613 [13CH3]Oc1nccc2c1cccc2 34a_102531767632_200025704644 [0,0,0,1,0,0|2,0,1]=4 1755 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 34a_100000685031_200025704644 [0,0,0,1,0,0|2,0,1]=4 1756 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 7a_100000685031_200025704644 [0,0,0,1,0,0|2,0,1]=4 1757 B13R2.2531 COC1(CCc2c1cccc2)C 34a_100000685031_200000210301 [0,0,0,1,0,0|2,0,1]=4 1758 B13R2.2531 COC1(CCc2c1cccc2)C 7a_100000685031_200000210301 [0,0,0,1,0,0|2,0,1]=4 1759 B13R2.2931 CSc1nn(c2c1cccc2)C 62a_100009817141_200000210301 [0,0,0,1,0,0|2,1,0]=4 1760 B13R2.2931 CSc1nn(c2c1cccc2)C 62a_200000210301_100009817141 [0,0,0,1,0,0|2,1,0]=4 1761 B13R2.2931 Cn1nc(c2c1cccc2)S[13CH3] 62a_100009817141_200025704644 [0,0,0,1,0,0|2,1,0]=4 1762 B13R2.2931 Cn1nc(c2c1cccc2)S[13CH3] 62a_200025704644_100009817141 [0,0,0,1,0,0|2,1,0]=4 1763 B11R1.59 C=Cc1cc[nH]c1C(=O)OC 271570a_100011290941_100102525103 [0,0,0,0,1,0|2,0,1]=4 1764 B11R1.59 C=Cc1ccoc1C(=O)OC 271570a_100011290941_100012676306 [0,0,0,0,1,0|2,0,1]=4 1765 B11R1.59 C=Cc1ccsc1C(=O)OC 271570a_100011290941_100000730364 [0,0,0,0,1,0|2,0,1]=4 1766 B11R1.59 C=Cc1cscc1C(=O)OC 271570a_100011290941_100012351140 [0,0,0,0,1,0|2,0,1]=4 1767 B11R1.59 C=Cc1occc1C(=O)OC 271570a_100011290941_100011935261 [0,0,0,0,1,0|2,0,1]=4 1768 B11R1.59 C=Cc1sccc1C(=O)OC 271570a_100011290941_100009822520 [0,0,0,0,1,0|2,0,1]=4 1769 B11R1.59 COC(=O)c1[nH]ccc1OC 34a_100000131702_200000210301 [0,0,0,0,1,0|1,0,0]=2 1770 B11R1.59 COC(=O)c1[nH]ccc1O[13CH3] 34a_100000131702_200025704644 [0,0,0,0,1,0|1,0,0]=2 1771 B11R1.59 COC(=O)c1[nH]ccc1SC 62a_200000210301_100102525103 [0,0,0,0,1,0|1,1,0]=3 1772 B11R1.59 COC(=O)c1[nH]ccc1S[13CH3] 62a_200025704644_100102525103 [0,0,0,0,1,0|1,1,0]=3 1773 B11R1.59 COC(=O)c1[nH]cnc1SC 62a_200000210301_100010290838 [0,0,0,0,1,0|2,1,0]=4 1774 B11R1.59 COC(=O)c1[nH]cnc1S[13CH3] 62a_200025704644_100010290838 [0,0,0,0,1,0|2,1,0]=4 1775 B11R1.59 COC(=O)c1[nH]ncc1SC 62a_200000210301_100012355743 [0,0,0,0,1,0|2,1,0]=4 1776 B11R1.59 COC(=O)c1[nH]ncc1S[13CH3] 62a_200025704644_100012355743 [0,0,0,0,1,0|2,1,0]=4 1777 B11R1.59 COC(=O)c1ccoc1SC 62a_200000210301_100011935261 [0,0,0,0,1,0|1,1,0]=3 1778 B11R1.59 COC(=O)c1ccoc1S[13CH3] 62a_200025704644_100011935261 [0,0,0,0,1,0|1,1,0]=3 1779 B11R1.59 COC(=O)c1ccsc1SC 62a_100009822520_200000210301 [0,0,0,0,1,0|1,1,0]=3 1780 B11R1.59 COC(=O)c1ccsc1SC 62a_200000210301_100009822520 [0,0,0,0,1,0|1,1,0]=3 1781 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_100009822520_200025704644 [0,0,0,0,1,0|1,1,0]=3 1782 B11R1.59 COC(=O)c1ccsc1S[13CH3] 62a_200025704644_100009822520 [0,0,0,0,1,0|1,1,0]=3 1783 B11R1.59 COC(=O)c1cscc1SC 62a_100012351140_200000210301 [0,0,0,0,1,0|1,1,0]=3 1784 B11R1.59 COC(=O)c1cscc1SC 62a_200000210301_100012351140 [0,0,0,0,1,0|1,1,0]=3 1785 B11R1.59 COC(=O)c1cscc1S[13CH3] 62a_100012351140_200025704644 [0,0,0,0,1,0|1,1,0]=3 1786 B11R1.59 COC(=O)c1cscc1S[13CH3] 62a_200025704644_100012351140 [0,0,0,0,1,0|1,1,0]=3 1787 B11R1.59 COC(=O)c1ncsc1SC 62a_100009816836_200000210301 [0,0,0,0,1,0|2,1,0]=4 1788 B11R1.59 COC(=O)c1ncsc1SC 62a_200000210301_100009816836 [0,0,0,0,1,0|2,1,0]=4 1789 B11R1.59 COC(=O)c1ncsc1S[13CH3] 62a_100009816836_200025704644 [0,0,0,0,1,0|2,1,0]=4 1790 B11R1.59 COC(=O)c1ncsc1S[13CH3] 62a_200025704644_100009816836 [0,0,0,0,1,0|2,1,0]=4 1791 B11R1.59 COC(=O)c1occc1SC 62a_200000210301_100012676306 [0,0,0,0,1,0|1,1,0]=3 1792 B11R1.59 COC(=O)c1occc1S[13CH3] 62a_200025704644_100012676306 [0,0,0,0,1,0|1,1,0]=3 1793 B11R1.59 COC(=O)c1sccc1OC 7a_100000043449_200000210301 [0,0,0,0,1,0|1,0,0]=2 1794 B11R1.59 COC(=O)c1sccc1O[13CH3] 7a_100000043449_200025704644 [0,0,0,0,1,0|1,0,0]=2 1795 B11R1.59 COC(=O)c1sccc1SC 62a_200000210301_100000730364 [0,0,0,0,1,0|1,1,0]=3 1796 B11R1.59 COC(=O)c1sccc1S[13CH3] 62a_200025704644_100000730364 [0,0,0,0,1,0|1,1,0]=3 1797 B11R1.59 COC(=O)c1scnc1SC 62a_200000210301_100013370767 [0,0,0,0,1,0|2,1,0]=4 1798 B11R1.59 COC(=O)c1scnc1S[13CH3] 62a_200025704644_100013370767 [0,0,0,0,1,0|2,1,0]=4 1799 B13R1.91 C#CC(=O)Cc1ccccc1OC 1458a_100000211873_100000210004 [0,0,0,0,0,1|1,0,1]=3 1800 B13R1.91 C#CC(=O)Cc1ccccc1SC 1458a_100000211873_100000699184 [0,0,0,0,0,1|1,1,1]=4 1801 B13R1.91 C#CC(=O)Cc1cccnc1OC 1458a_100000211873_100020631285 [0,0,0,0,0,1|2,0,1]=4 1802 B13R1.91 C#CC(=O)Cc1ccncc1OC 1458a_100000211873_100020635607 [0,0,0,0,0,1|2,0,1]=4 1803 B13R1.91 C#Cc1ccccc1NC(=O)CC 11a_100011470550_100000210414 [0,0,0,0,0,1|2,0,1]=4 1804 B13R1.91 C#Cc1ccccc1NC(=O)CC 1626a_100011470550_100000210414 [0,0,0,0,0,1|2,0,1]=4 1805 B13R1.91 C#Cc1ccccc1NC(=O)CC 22a_100011470550_100000210414 [0,0,0,0,0,1|2,0,1]=4 1806 B13R1.91 C#Cc1ccccc1NC(=O)NC 2430a_100011470550_100102657272 [0,0,0,0,0,1|2,0,1]=4 1807 B13R1.91 C=CC(=O)Cc1ccccc1OC 1458a_100000185746_100000210004 [0,0,0,0,0,1|1,0,1]=3 1808 B13R1.91 C=CC(=O)Cc1ccccc1SC 1458a_100000185746_100000699184 [0,0,0,0,0,1|1,1,1]=4 1809 B13R1.91 C=CC(=O)Cc1cccnc1OC 1458a_100000185746_100020631285 [0,0,0,0,0,1|2,0,1]=4 1810 B13R1.91 C=CC(=O)Cc1ccncc1OC 1458a_100000185746_100020635607 [0,0,0,0,0,1|2,0,1]=4 1811 B13R1.91 C=CC(=O)Nc1ccccc1CC 1626a_100000212081_100000185746 [0,0,0,0,0,1|2,0,1]=4 1812 B13R1.91 C=CC(=O)Nc1ccccc1CC 22a_100000212081_100000185746 [0,0,0,0,0,1|2,0,1]=4 1813 B13R1.91 C=CC(=O)Nc1ccccc1OC 1626a_100000210025_100000185746 [0,0,0,0,0,1|1,0,1]=3 1814 B13R1.91 C=CC(=O)Nc1ccccc1OC 22a_100000210025_100000185746 [0,0,0,0,0,1|1,0,1]=3 1815 B13R1.91 C=CC(=O)Nc1ccccc1SC 22a_100000211160_100000185746 [0,0,0,0,0,1|1,1,1]=4 1816 B13R1.91 C=Cc1ccccc1CC(=O)NC 271570a_100011290941_200009816160 [0,0,0,0,0,1|2,0,1]=4 1817 B13R1.91 C=Cc1ccccc1CC(=O)OC 271570a_100011290941_100000699816 [0,0,0,0,0,1|1,0,1]=3 1818 B13R1.91 C=Cc1ccccc1NC(=O)CC 11a_100012022501_100000210414 [0,0,0,0,0,1|2,0,1]=4 1819 B13R1.91 C=Cc1ccccc1NC(=O)CC 1626a_100012022501_100000210414 [0,0,0,0,0,1|2,0,1]=4 1820 B13R1.91 C=Cc1ccccc1NC(=O)CC 22a_100012022501_100000210414 [0,0,0,0,0,1|2,0,1]=4 1821 B13R1.91 C=Cc1ccccc1NC(=O)CC 271570a_100011290941_100000153536 [0,0,0,0,0,1|2,0,1]=4 1822 B13R1.91 C=Cc1ccccc1NC(=O)NC 2430a_100012022501_100102657272 [0,0,0,0,0,1|2,0,1]=4 1823 B13R1.91 C=Cc1ccccc1NC(=O)OC 271570a_100011290941_100000216184 [0,0,0,0,0,1|1,0,1]=3 1824 B13R1.91 C=Cc1cccnc1CC(=O)OC 271570a_100011290941_100012347948 [0,0,0,0,0,1|2,0,1]=4 1825 B13R1.91 C=Cc1ncccc1CC(=O)OC 271570a_100011290941_100010293180 [0,0,0,0,0,1|2,0,1]=4 1826 B13R1.91 CCC(=O)Cc1ccccc1C#N 1458a_100000210414_100000181865 [0,0,0,0,0,1|3,0,0]=4 1827 B13R1.91 CCC(=O)Cc1ccccc1C#N 1458a_100000238613_100000210202 [0,0,0,0,0,1|3,0,0]=4 1828 B13R1.91 CCC(=O)Cc1ccccc1C=O 1458a_100000210414_200009853537 [0,0,0,0,0,1|3,0,0]=4 1829 B13R1.91 CCC(=O)Cc1ccccc1CO 1458a_100000210414_100009816955 [0,0,0,0,0,1|3,0,0]=4 1830 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000210414_100000210004 [0,0,0,0,0,1|1,0,0]=2 1831 B13R1.91 CCC(=O)Cc1ccccc1OC 1458a_100000211604_100000210202 [0,0,0,0,0,1|1,0,0]=2 1832 B13R1.91 CCC(=O)Cc1ccccc1SC 1458a_100000210414_100000699184 [0,0,0,0,0,1|1,1,0]=3 1833 B13R1.91 CCC(=O)Cc1cccnc1OC 1458a_100000210414_100020631285 [0,0,0,0,0,1|2,0,0]=3 1834 B13R1.91 CCC(=O)Cc1ccncc1OC 1458a_100000210414_100020635607 [0,0,0,0,0,1|2,0,0]=3 1835 B13R1.91 CCC(=O)Nc1ccccc1C#N 11a_100000211148_100000210414 [0,0,0,0,0,1|3,0,0]=4 1836 B13R1.91 CCC(=O)Nc1ccccc1C#N 1626a_100000211148_100000210414 [0,0,0,0,0,1|3,0,0]=4 1837 B13R1.91 CCC(=O)Nc1ccccc1CC 11a_100000212081_100000210414 [0,0,0,0,0,1|2,0,0]=3 1838 B13R1.91 CCC(=O)Nc1ccccc1CC 1626a_100000212081_100000210414 [0,0,0,0,0,1|2,0,0]=3 1839 B13R1.91 CCC(=O)Nc1ccccc1CC 22a_100000212081_100000210414 [0,0,0,0,0,1|2,0,0]=3 1840 B13R1.91 CCC(=O)Nc1ccccc1CC 527a_100000212081_100000210414 [0,0,0,0,0,1|2,0,0]=3 1841 B13R1.91 CCC(=O)Nc1ccccc1CO 22a_100000212039_100000210414 [0,0,0,0,0,1|3,0,0]=4 1842 B13R1.91 CCC(=O)Nc1ccccc1OC 11a_100000210025_100000210414 [0,0,0,0,0,1|1,0,0]=2 1843 B13R1.91 CCC(=O)Nc1ccccc1OC 1626a_100000210025_100000210414 [0,0,0,0,0,1|1,0,0]=2 1844 B13R1.91 CCC(=O)Nc1ccccc1OC 22a_100000210025_100000210414 [0,0,0,0,0,1|1,0,0]=2 1845 B13R1.91 CCC(=O)Nc1ccccc1OC 527a_100000210025_100000210414 [0,0,0,0,0,1|1,0,0]=2 1846 B13R1.91 CCC(=O)Nc1ccccc1SC 11a_100000211160_100000210414 [0,0,0,0,0,1|1,1,0]=3 1847 B13R1.91 CCC(=O)Nc1ccccc1SC 22a_100000211160_100000210414 [0,0,0,0,0,1|1,1,0]=3 1848 B13R1.91 CCC(=O)Nc1ccccc1SC 62a_200000210301_100000153536 [0,0,0,0,0,1|1,1,0]=3 1849 B13R1.91 CCC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153536 [0,0,0,0,0,1|1,1,0]=3 1850 B13R1.91 CCC(C)Nc1ccccc1OC 34a_100000210025_100011215416 [0,0,0,0,0,1|2,0,1]=4 1851 B13R1.91 CCC(C)Oc1ccccc1OC 34a_100000210385_100011215416 [0,0,0,0,0,1|2,0,1]=4 1852 B13R1.91 CCC(C)Sc1ccccc1OC 62a_100000210334_100000758301 [0,0,0,0,0,1|2,0,1]=4 1853 B13R1.91 CCC(C)Sc1ccccc1OC 62a_100000758301_100000210334 [0,0,0,0,0,1|2,0,1]=4 1854 B13R1.91 CCN(C)Cc1ccccc1OC 2230a_100000184376_100000210202 [0,0,0,0,0,1|3,0,0]=4 1855 B13R1.91 CCN(C)Cc1ccccc1OC 2230a_100000225621_100000210004 [0,0,0,0,0,1|3,0,0]=4 1856 B13R1.91 CCN(C)Cc1ccccc1OC 269982a_100000184376_100000204670 [0,0,0,0,0,1|3,0,0]=4 1857 B13R1.91 CCN(C)Cc1ccccc1OC 269982a_100000225621_100000210004 [0,0,0,0,0,1|3,0,0]=4 1858 B13R1.91 CCc1ccccc1NC(=O)CO 22a_100000212081_100000210174 [0,0,0,0,0,1|3,0,0]=4 1859 B13R1.91 CCc1ccccc1NC(=O)CO 527a_100000212081_100000210174 [0,0,0,0,0,1|3,0,0]=4 1860 B13R1.91 CCc1ccccc1NC(=O)NC 2430a_100000212081_100102657272 [0,0,0,0,0,1|2,0,0]=3 1861 B13R1.91 CCc1ccccc1SC(C)OC 62a_100009879195_100011215823 [0,0,0,0,0,1|2,0,1]=4 1862 B13R1.91 CCc1ccccc1SC(C)OC 62a_100011215823_100009879195 [0,0,0,0,0,1|2,0,1]=4 1863 B13R1.91 CNC(=O)Cc1ccccc1C#N 11a_106832991635_100000238613 [0,0,0,0,0,1|3,0,0]=4 1864 B13R1.91 CNC(=O)Cc1ccccc1C#N 527a_100102657272_100000238613 [0,0,0,0,0,1|3,0,0]=4 1865 B13R1.91 CNC(=O)Cc1ccccc1NC 2230a_100000738506_200000210301 [0,0,0,0,0,1|2,0,0]=3 1866 B13R1.91 CNC(=O)Cc1ccccc1NC 34a_100000738506_200000210301 [0,0,0,0,0,1|2,0,0]=3 1867 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 2230a_100000738506_200025704644 [0,0,0,0,0,1|2,0,0]=3 1868 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 34a_100000738506_200025704644 [0,0,0,0,0,1|2,0,0]=3 1869 B13R1.91 CNC(=O)Cc1ccccc1OC 11a_106832991635_100000211604 [0,0,0,0,0,1|1,0,0]=2 1870 B13R1.91 CNC(=O)Cc1ccccc1OC 1626a_100102657272_100000211604 [0,0,0,0,0,1|1,0,0]=2 1871 B13R1.91 CNC(=O)Cc1ccccc1OC 240690a_100102657272_100000211604 [0,0,0,0,0,1|1,0,0]=2 1872 B13R1.91 CNC(=O)Cc1ccccc1OC 527a_100102657272_100000211604 [0,0,0,0,0,1|1,0,0]=2 1873 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200000210301_200009816160 [0,0,0,0,0,1|1,1,0]=3 1874 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200009816160_200000210301 [0,0,0,0,0,1|1,1,0]=3 1875 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200009816160_200025704644 [0,0,0,0,0,1|1,1,0]=3 1876 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_200009816160 [0,0,0,0,0,1|1,1,0]=3 1877 B13R1.91 CNC(=O)Nc1ccccc1C#N 2430a_100000211148_100102657272 [0,0,0,0,0,1|3,0,0]=4 1878 B13R1.91 CNC(=O)Nc1ccccc1OC 2430a_100000210025_100102657272 [0,0,0,0,0,1|1,0,0]=2 1879 B13R1.91 CNC(=O)Nc1ccccc1SC 2430a_100000211160_100102657272 [0,0,0,0,0,1|1,1,0]=3 1880 B13R1.91 CNC(=O)Nc1ccccc1SC 512a_100000211160_100102657272 [0,0,0,0,0,1|1,1,0]=3 1881 B13R1.91 CNC(C)Cc1ccccc1OC 270004a_106832991635_100000211486 [0,0,0,0,0,1|2,0,1]=4 1882 B13R1.91 CNc1ccccc1SC(C)OC 62a_100009879195_100020606079 [0,0,0,0,0,1|2,0,1]=4 1883 B13R1.91 CNc1ccccc1SC(C)OC 62a_100020606079_100009879195 [0,0,0,0,0,1|2,0,1]=4 1884 B13R1.91 COC(=O)Cc1ccccc1OC 7a_100000758901_200000210301 [0,0,0,0,0,1|0,0,0]=1 1885 B13R1.91 COC(=O)Cc1ccccc1O[13CH3] 7a_100000758901_200025704644 [0,0,0,0,0,1|0,0,0]=1 1886 B13R1.91 COC(=O)Cc1ccccc1SC 62a_100000699816_200000210301 [0,0,0,0,0,1|0,1,0]=2 1887 B13R1.91 COC(=O)Cc1ccccc1SC 62a_200000210301_100000699816 [0,0,0,0,0,1|0,1,0]=2 1888 B13R1.91 COC(=O)Cc1ccccc1S[13CH3] 62a_100000699816_200025704644 [0,0,0,0,0,1|0,1,0]=2 1889 B13R1.91 COC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100000699816 [0,0,0,0,0,1|0,1,0]=2 1890 B13R1.91 COC(=O)Cc1cccnc1SC 62a_100010293180_200000210301 [0,0,0,0,0,1|1,1,0]=3 1891 B13R1.91 COC(=O)Cc1cccnc1SC 62a_200000210301_100010293180 [0,0,0,0,0,1|1,1,0]=3 1892 B13R1.91 COC(=O)Cc1cccnc1S[13CH3] 62a_100010293180_200025704644 [0,0,0,0,0,1|1,1,0]=3 1893 B13R1.91 COC(=O)Cc1cccnc1S[13CH3] 62a_200025704644_100010293180 [0,0,0,0,0,1|1,1,0]=3 1894 B13R1.91 COC(=O)Cc1ncccc1SC 62a_100012347948_200000210301 [0,0,0,0,0,1|1,1,0]=3 1895 B13R1.91 COC(=O)Cc1ncccc1SC 62a_200000210301_100012347948 [0,0,0,0,0,1|1,1,0]=3 1896 B13R1.91 COC(=O)Cc1ncccc1S[13CH3] 62a_100012347948_200025704644 [0,0,0,0,0,1|1,1,0]=3 1897 B13R1.91 COC(=O)Cc1ncccc1S[13CH3] 62a_200025704644_100012347948 [0,0,0,0,0,1|1,1,0]=3 1898 B13R1.91 COC(=O)Nc1ccccc1SC 62a_200000210301_100000216184 [0,0,0,0,0,1|0,1,0]=2 1899 B13R1.91 COC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000216184 [0,0,0,0,0,1|0,1,0]=2 1900 B13R1.91 COC(C)Sc1ccccc1SC 62a_100009879195_100011217816 [0,0,0,0,0,1|1,1,1]=4 1901 B13R1.91 COC(C)Sc1ccccc1SC 62a_100011217816_100009879195 [0,0,0,0,0,1|1,1,1]=4 1902 B13R1.91 COc1ccccc1CC(=O)CF 1458a_100000211604_100015361967 [0,0,0,0,0,1|2,0,0]=3 1903 B13R1.91 COc1ccccc1CC(=O)CO 1458a_100000210174_100000210004 [0,0,0,0,0,1|2,0,0]=3 1904 B13R1.91 COc1ccccc1CC(=O)NN 34a_200012021708_200000210301 [0,0,0,0,0,1|2,0,0]=3 1905 B13R1.91 COc1ccccc1CC(C)OC 7a_100000691916_200000210301 [0,0,0,0,0,1|1,0,1]=3 1906 B13R1.91 COc1ccccc1CC(C)O[13CH3] 7a_100000691916_200025704644 [0,0,0,0,0,1|1,0,1]=3 1907 B13R1.91 COc1ccccc1NC(=O)CCl 7a_100000014494_200000210301 [0,0,0,0,0,1|2,0,0]=3 1908 B13R1.91 COc1ccccc1NC(=O)CO 22a_100000210025_100000210174 [0,0,0,0,0,1|2,0,0]=3 1909 B13R1.91 COc1ccccc1NC(=O)CO 527a_100000210025_100000210174 [0,0,0,0,0,1|2,0,0]=3 1910 B13R1.91 COc1ccccc1SC(C)OC 62a_100000210334_100009879195 [0,0,0,0,0,1|1,0,1]=3 1911 B13R1.91 COc1ccccc1SC(C)OC 62a_100009879195_100000210334 [0,0,0,0,0,1|1,0,1]=3 1912 B13R1.91 COc1cccnc1SC(C)OC 62a_100000767102_100009879195 [0,0,0,0,0,1|2,0,1]=4 1913 B13R1.91 COc1cccnc1SC(C)OC 62a_100009879195_100000690851 [0,0,0,0,0,1|2,0,1]=4 1914 B13R1.91 COc1ccncc1SC(C)OC 62a_100009879195_100011997281 [0,0,0,0,0,1|2,0,1]=4 1915 B13R1.91 COc1ccncc1SC(C)OC 62a_100011997281_100009879195 [0,0,0,0,0,1|2,0,1]=4 1916 B13R1.91 COc1cnccc1CC(=O)CO 1458a_100000210174_100020635607 [0,0,0,0,0,1|3,0,0]=4 1917 B13R1.91 COc1cnccc1SC(C)OC 62a_100009879195_100016988167 [0,0,0,0,0,1|2,0,1]=4 1918 B13R1.91 COc1cnccc1SC(C)OC 62a_100016988167_100009879195 [0,0,0,0,0,1|2,0,1]=4 1919 B13R1.91 COc1ncccc1CC(=O)CO 1458a_100000210174_100020631285 [0,0,0,0,0,1|3,0,0]=4 1920 B13R1.91 COc1ncccc1SC(C)OC 62a_100000047025_100009879195 [0,0,0,0,0,1|2,0,1]=4 1921 B13R1.91 COc1ncccc1SC(C)OC 62a_100009879195_100000047025 [0,0,0,0,0,1|2,0,1]=4 1922 B13R1.91 CSc1ccccc1CC(=O)CO 1458a_100000210174_100000699184 [0,0,0,0,0,1|2,1,0]=4 1923 B13R1.91 CSc1ccccc1CC(=O)NN 62a_200000210301_200010210069 [0,0,0,0,0,1|2,1,0]=4 1924 B13R1.91 CSc1ccccc1CC(=O)NN 62a_200010210069_200000210301 [0,0,0,0,0,1|2,1,0]=4 1925 B13R1.91 CSc1ccccc1NC(=O)CN 62a_200000210301_100000683505 [0,0,0,0,0,1|2,1,0]=4 1926 B13R1.91 CSc1ccccc1NC(=O)CO 22a_100000211160_100000210174 [0,0,0,0,0,1|2,1,0]=4 1927 B13R1.91 [13CH3]Oc1ccccc1CC(=O)NN 34a_200012021708_200025704644 [0,0,0,0,0,1|2,0,0]=3 1928 B13R1.91 [13CH3]Oc1ccccc1NC(=O)CCl 7a_100000014494_200025704644 [0,0,0,0,0,1|2,0,0]=3 1929 B13R1.91 [13CH3]Sc1ccccc1CC(=O)NN 62a_200010210069_200025704644 [0,0,0,0,0,1|2,1,0]=4 1930 B13R1.91 [13CH3]Sc1ccccc1CC(=O)NN 62a_200025704644_200010210069 [0,0,0,0,0,1|2,1,0]=4 1931 B13R1.91 [13CH3]Sc1ccccc1NC(=O)CN 62a_200025704644_100000683505 [0,0,0,0,0,1|2,1,0]=4 1932 B10R0.18 C=CC=CC(=O)CC(=O)OC 1458a_100016291481_100000747449 [1,0,1,0,0,0|0,0,2]=4 1933 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [2,0,0,0,0,0|1,0,1]=4 1934 B10R1.4 C=C=Cc1ccccc1O 271570a_100015277604_100000739446 [2,0,0,0,0,0|1,0,1]=4 1935 B10R1.4 CC=Cc1cccc[n+]1C 271570a_100016259895_100000212160 [2,0,0,0,0,0|2,0,0]=4 1936 B10R1.4 CC=Cc1ccccc1Br 271570a_100016259895_100000695589 [2,0,0,0,0,0|2,0,0]=4 1937 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [2,0,0,0,0,0|1,0,0]=3 1938 B10R1.4 CC=Cc1ccccc1Cl 271570a_100016259895_100000764095 [2,0,0,0,0,0|2,0,0]=4 1939 B10R1.4 CC=Cc1ccccc1F 271570a_100016259895_100011215700 [2,0,0,0,0,0|2,0,0]=4 1940 B10R1.4 CC=Cc1ccccc1N 271570a_100016259895_100000210017 [2,0,0,0,0,0|2,0,0]=4 1941 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [2,0,0,0,0,0|1,0,0]=3 1942 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [2,0,0,0,0,0|2,0,0]=4 1943 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [2,0,0,0,0,0|2,0,0]=4 1944 B10R1.4 CC=Cc1ccncc1O 271570a_100016259895_100009817591 [2,0,0,0,0,0|2,0,0]=4 1945 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [2,0,0,0,0,0|2,0,0]=4 1946 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [2,0,0,0,0,0|2,0,0]=4 1947 B10R1.4 CC=Cc1ncccc1O 271570a_100016259895_100000034122 [2,0,0,0,0,0|2,0,0]=4 1948 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [2,0,0,0,0,0|2,0,0]=4 1949 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [2,0,0,0,0,0|2,0,0]=4 1950 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [2,0,0,0,0,0|2,0,0]=4 1951 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [2,0,0,0,0,0|2,0,0]=4 1952 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [2,0,0,0,0,0|2,0,0]=4 1953 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [2,0,0,0,0,0|2,0,0]=4 1954 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [2,0,0,0,0,0|2,0,0]=4 1955 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [2,0,0,0,0,0|2,0,0]=4 1956 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [2,0,0,0,0,0|2,0,0]=4 1957 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [2,0,0,0,0,0|2,0,0]=4 1958 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [2,0,0,0,0,0|2,0,0]=4 1959 B10R1.4 CNCc1ccccc1C 207a_100102657272_100000211143 [2,0,0,0,0,0|1,0,1]=4 1960 B10R1.4 CNCc1ccccc1C 2230a_106832991635_100000211839 [2,0,0,0,0,0|1,0,1]=4 1961 B10R1.4 CNCc1ccccc1C 270004a_106832991635_100000211143 [2,0,0,0,0,0|1,0,1]=4 1962 B10R1.4 CNCc1ccccc1C 34a_100000174972_200000210301 [2,0,0,0,0,0|1,0,1]=4 1963 B10R1.4 CNCc1ccccc1C 34a_100102657272_100000211839 [2,0,0,0,0,0|1,0,1]=4 1964 B10R1.4 CNCc1ccccc1C 7a_106832991635_100000211839 [2,0,0,0,0,0|1,0,1]=4 1965 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [2,0,0,0,0,0|1,0,1]=4 1966 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [2,0,0,0,0,0|1,0,1]=4 1967 B10R1.4 COCc1ccccc1Br 34a_100000756307_200000210301 [2,0,0,0,0,0|1,0,1]=4 1968 B10R1.4 COCc1ccccc1Br 34a_100138415774_100000184730 [2,0,0,0,0,0|1,0,1]=4 1969 B10R1.4 COCc1ccccc1Br 7a_100000756307_200000210301 [2,0,0,0,0,0|1,0,1]=4 1970 B10R1.4 COCc1ccccc1C 34a_100000698903_200000210301 [2,0,0,0,0,0|0,0,1]=3 1971 B10R1.4 COCc1ccccc1C 34a_100138415774_100000211839 [2,0,0,0,0,0|0,0,1]=3 1972 B10R1.4 COCc1ccccc1C 7a_100000698903_200000210301 [2,0,0,0,0,0|0,0,1]=3 1973 B10R1.4 COCc1ccccc1Cl 34a_100000210847_200000210301 [2,0,0,0,0,0|1,0,1]=4 1974 B10R1.4 COCc1ccccc1Cl 34a_100138415774_100000187162 [2,0,0,0,0,0|1,0,1]=4 1975 B10R1.4 COCc1ccccc1Cl 7a_100000210847_200000210301 [2,0,0,0,0,0|1,0,1]=4 1976 B10R1.4 COCc1ccccc1F 34a_100000211962_200000210301 [2,0,0,0,0,0|1,0,1]=4 1977 B10R1.4 COCc1ccccc1F 34a_100138415774_100000211605 [2,0,0,0,0,0|1,0,1]=4 1978 B10R1.4 COCc1ccccc1F 7a_100000211962_200000210301 [2,0,0,0,0,0|1,0,1]=4 1979 B10R1.4 COCc1ccccc1I 34a_100000187465_200000210301 [2,0,0,0,0,0|1,0,1]=4 1980 B10R1.4 COCc1ccccc1I 34a_100138415774_100011215278 [2,0,0,0,0,0|1,0,1]=4 1981 B10R1.4 COCc1ccccc1I 7a_100000187465_200000210301 [2,0,0,0,0,0|1,0,1]=4 1982 B10R1.4 COCc1ccccc1N 34a_100000212039_200000210301 [2,0,0,0,0,0|1,0,1]=4 1983 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [2,0,0,0,0,0|0,0,1]=3 1984 B10R1.4 COCc1cccnc1C 34a_100000729262_200000210301 [2,0,0,0,0,0|1,0,1]=4 1985 B10R1.4 COCc1cccnc1C 34a_100138415774_100000732876 [2,0,0,0,0,0|1,0,1]=4 1986 B10R1.4 COCc1cccnc1C 7a_100000729262_200000210301 [2,0,0,0,0,0|1,0,1]=4 1987 B10R1.4 COCc1ccncc1C 34a_100011997032_200000210301 [2,0,0,0,0,0|1,0,1]=4 1988 B10R1.4 COCc1ccncc1C 34a_100138415774_100020672809 [2,0,0,0,0,0|1,0,1]=4 1989 B10R1.4 COCc1cnccc1C 34a_100011996381_200000210301 [2,0,0,0,0,0|1,0,1]=4 1990 B10R1.4 COCc1cnccc1C 34a_100138415774_100000690890 [2,0,0,0,0,0|1,0,1]=4 1991 B10R1.4 COCc1ncccc1C 34a_100000698912_200000210301 [2,0,0,0,0,0|1,0,1]=4 1992 B10R1.4 COCc1ncccc1C 34a_100138415774_100000696600 [2,0,0,0,0,0|1,0,1]=4 1993 B10R1.4 COCc1ncccc1O 34a_100138415774_200020655725 [2,0,0,0,0,0|1,0,1]=4 1994 B10R1.4 CSCc1ccccc1C 62a_100000211839_200000210301 [2,0,0,0,0,0|0,1,1]=4 1995 B10R1.4 CSCc1ccccc1C 62a_200000210301_100000211839 [2,0,0,0,0,0|0,1,1]=4 1996 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [2,0,0,0,0,0|0,1,1]=4 1997 B10R1.4 Cc1ccccc1CN[13CH3] 34a_100000174972_200025704644 [2,0,0,0,0,0|1,0,1]=4 1998 B10R1.4 Cc1ccccc1CO[13CH3] 34a_100000698903_200025704644 [2,0,0,0,0,0|0,0,1]=3 1999 B10R1.4 Cc1ccccc1CO[13CH3] 7a_100000698903_200025704644 [2,0,0,0,0,0|0,0,1]=3 2000 B10R1.4 Cc1ccccc1CS[13CH3] 62a_100000211839_200025704644 [2,0,0,0,0,0|0,1,1]=4 2001 B10R1.4 Cc1ccccc1CS[13CH3] 62a_200025704644_100000211839 [2,0,0,0,0,0|0,1,1]=4 2002 B10R1.4 Cc1cccnc1CO[13CH3] 34a_100000698912_200025704644 [2,0,0,0,0,0|1,0,1]=4 2003 B10R1.4 Cc1ccncc1CO[13CH3] 34a_100011996381_200025704644 [2,0,0,0,0,0|1,0,1]=4 2004 B10R1.4 Cc1cnccc1CO[13CH3] 34a_100011997032_200025704644 [2,0,0,0,0,0|1,0,1]=4 2005 B10R1.4 Cc1ncccc1CO[13CH3] 34a_100000729262_200025704644 [2,0,0,0,0,0|1,0,1]=4 2006 B10R1.4 Cc1ncccc1CO[13CH3] 7a_100000729262_200025704644 [2,0,0,0,0,0|1,0,1]=4 2007 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [2,0,0,0,0,0|1,0,1]=4 2008 B10R1.4 [13CH3]OCc1ccccc1Br 34a_100000756307_200025704644 [2,0,0,0,0,0|1,0,1]=4 2009 B10R1.4 [13CH3]OCc1ccccc1Br 7a_100000756307_200025704644 [2,0,0,0,0,0|1,0,1]=4 2010 B10R1.4 [13CH3]OCc1ccccc1Cl 34a_100000210847_200025704644 [2,0,0,0,0,0|1,0,1]=4 2011 B10R1.4 [13CH3]OCc1ccccc1Cl 7a_100000210847_200025704644 [2,0,0,0,0,0|1,0,1]=4 2012 B10R1.4 [13CH3]OCc1ccccc1F 34a_100000211962_200025704644 [2,0,0,0,0,0|1,0,1]=4 2013 B10R1.4 [13CH3]OCc1ccccc1F 7a_100000211962_200025704644 [2,0,0,0,0,0|1,0,1]=4 2014 B10R1.4 [13CH3]OCc1ccccc1I 34a_100000187465_200025704644 [2,0,0,0,0,0|1,0,1]=4 2015 B10R1.4 [13CH3]OCc1ccccc1I 7a_100000187465_200025704644 [2,0,0,0,0,0|1,0,1]=4 2016 B10R1.4 [13CH3]OCc1ccccc1N 34a_100000212039_200025704644 [2,0,0,0,0,0|1,0,1]=4 2017 B10R1.20 C#Cc1ccccc1OC 34a_200011470546_200000210301 [2,0,0,0,0,0|0,0,2]=4 2018 B10R1.20 C#Cc1ccccc1OC 7a_200011470546_200000210301 [2,0,0,0,0,0|0,0,2]=4 2019 B10R1.20 C#Cc1ccccc1O[13CH3] 34a_200011470546_200025704644 [2,0,0,0,0,0|0,0,2]=4 2020 B10R1.20 C#Cc1ccccc1O[13CH3] 7a_200011470546_200025704644 [2,0,0,0,0,0|0,0,2]=4 2021 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [2,0,0,0,0,0|1,0,1]=4 2022 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [2,0,0,0,0,0|1,0,1]=4 2023 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [2,0,0,0,0,0|1,0,1]=4 2024 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [2,0,0,0,0,0|1,0,1]=4 2025 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [2,0,0,0,0,0|1,0,1]=4 2026 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [2,0,0,0,0,0|0,0,1]=3 2027 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [2,0,0,0,0,0|0,1,1]=4 2028 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [2,0,0,0,0,0|0,1,1]=4 2029 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [2,0,0,0,0,0|0,1,1]=4 2030 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [2,0,0,0,0,0|0,1,1]=4 2031 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [2,0,0,0,0,0|0,1,1]=4 2032 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [2,0,0,0,0,0|1,0,1]=4 2033 B10R1.20 C=Cc1ccncc1OC 271570a_100011290941_100016988167 [2,0,0,0,0,0|1,0,1]=4 2034 B10R1.20 C=Cc1cnccc1OC 271570a_100011290941_100011997281 [2,0,0,0,0,0|1,0,1]=4 2035 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [2,0,0,0,0,0|1,0,1]=4 2036 B10R1.20 CCc1ccccc1NC 2230a_100000212081_200000210301 [2,0,0,0,0,0|1,0,1]=4 2037 B10R1.20 CCc1ccccc1NC 34a_100000212081_200000210301 [2,0,0,0,0,0|1,0,1]=4 2038 B10R1.20 CCc1ccccc1NC 7a_100000212081_200000210301 [2,0,0,0,0,0|1,0,1]=4 2039 B10R1.20 CCc1ccccc1N[13CH3] 2230a_100000212081_200025704644 [2,0,0,0,0,0|1,0,1]=4 2040 B10R1.20 CCc1ccccc1N[13CH3] 34a_100000212081_200025704644 [2,0,0,0,0,0|1,0,1]=4 2041 B10R1.20 CCc1ccccc1N[13CH3] 7a_100000212081_200025704644 [2,0,0,0,0,0|1,0,1]=4 2042 B10R1.20 CCc1ccccc1OC 34a_100000210936_200000210301 [2,0,0,0,0,0|0,0,1]=3 2043 B10R1.20 CCc1ccccc1OC 7a_100000210936_200000210301 [2,0,0,0,0,0|0,0,1]=3 2044 B10R1.20 CCc1ccccc1O[13CH3] 34a_100000210936_200025704644 [2,0,0,0,0,0|0,0,1]=3 2045 B10R1.20 CCc1ccccc1O[13CH3] 7a_100000210936_200025704644 [2,0,0,0,0,0|0,0,1]=3 2046 B10R1.20 CCc1ccccc1SC 62a_100011215823_200000210301 [2,0,0,0,0,0|0,1,1]=4 2047 B10R1.20 CCc1ccccc1SC 62a_200000210301_100011215823 [2,0,0,0,0,0|0,1,1]=4 2048 B10R1.20 CCc1ccccc1S[13CH3] 62a_100011215823_200025704644 [2,0,0,0,0,0|0,1,1]=4 2049 B10R1.20 CCc1ccccc1S[13CH3] 62a_200025704644_100011215823 [2,0,0,0,0,0|0,1,1]=4 2050 B10R1.20 CNc1ccccc1CO 34a_100000212039_200000210301 [2,0,0,0,0,0|1,0,1]=4 2051 B10R1.20 CNc1ccccc1OC 34a_100000033821_200000210301 [2,0,0,0,0,0|1,0,0]=3 2052 B10R1.20 CNc1ccccc1OC 34a_100000210025_200000210301 [2,0,0,0,0,0|1,0,0]=3 2053 B10R1.20 CNc1ccccc1O[13CH3] 34a_100000033821_200025704644 [2,0,0,0,0,0|1,0,0]=3 2054 B10R1.20 CNc1ccccc1SC 34a_100000211160_200000210301 [2,0,0,0,0,0|1,1,0]=4 2055 B10R1.20 CNc1ccccc1SC 62a_100020606079_200000210301 [2,0,0,0,0,0|1,1,0]=4 2056 B10R1.20 CNc1ccccc1SC 62a_200000210301_100020606079 [2,0,0,0,0,0|1,1,0]=4 2057 B10R1.20 CNc1ccccc1S[13CH3] 62a_100020606079_200025704644 [2,0,0,0,0,0|1,1,0]=4 2058 B10R1.20 CNc1ccccc1S[13CH3] 62a_200025704644_100020606079 [2,0,0,0,0,0|1,1,0]=4 2059 B10R1.20 COc1ccccc1C#N 34a_100000211048_200000210301 [2,0,0,0,0,0|1,0,1]=4 2060 B10R1.20 COc1ccccc1C#N 7a_100000211048_200000210301 [2,0,0,0,0,0|1,0,1]=4 2061 B10R1.20 COc1ccccc1CN 34a_100000185550_200000210301 [2,0,0,0,0,0|1,0,1]=4 2062 B10R1.20 COc1ccccc1CO 34a_100011216872_200000210301 [2,0,0,0,0,0|0,0,1]=3 2063 B10R1.20 COc1ccccc1N[13CH3] 34a_100000210025_200025704644 [2,0,0,0,0,0|1,0,0]=3 2064 B10R1.20 COc1ccccc1OC 34a_100000210385_200000210301 [2,0,0,0,0,0|0,0,0]=2 2065 B10R1.20 COc1ccccc1O[13CH3] 34a_100000210385_200025704644 [2,0,0,0,0,0|0,0,0]=2 2066 B10R1.20 COc1ccccc1SC 34a_100011216402_200000210301 [2,0,0,0,0,0|0,1,0]=3 2067 B10R1.20 COc1ccccc1SC 62a_100000210334_200000210301 [2,0,0,0,0,0|0,1,0]=3 2068 B10R1.20 COc1ccccc1SC 62a_200000210301_100000210334 [2,0,0,0,0,0|0,1,0]=3 2069 B10R1.20 COc1ccccc1S[13CH3] 62a_100000210334_200025704644 [2,0,0,0,0,0|0,1,0]=3 2070 B10R1.20 COc1ccccc1S[13CH3] 62a_200025704644_100000210334 [2,0,0,0,0,0|0,1,0]=3 2071 B10R1.20 COc1cccnc1CO 34a_100000731849_200000210301 [2,0,0,0,0,0|1,0,1]=4 2072 B10R1.20 COc1cccnc1OC 34a_100000698397_200000210301 [2,0,0,0,0,0|1,0,0]=3 2073 B10R1.20 COc1cccnc1OC 34a_100025773188_200000210301 [2,0,0,0,0,0|1,0,0]=3 2074 B10R1.20 COc1cccnc1OC 7a_100000698397_200000210301 [2,0,0,0,0,0|1,0,0]=3 2075 B10R1.20 COc1cccnc1O[13CH3] 34a_100025773188_200025704644 [2,0,0,0,0,0|1,0,0]=3 2076 B10R1.20 COc1cccnc1SC 62a_100000767102_200000210301 [2,0,0,0,0,0|1,1,0]=4 2077 B10R1.20 COc1cccnc1SC 62a_200000210301_100000690851 [2,0,0,0,0,0|1,1,0]=4 2078 B10R1.20 COc1cccnc1S[13CH3] 62a_100000767102_200025704644 [2,0,0,0,0,0|1,1,0]=4 2079 B10R1.20 COc1cccnc1S[13CH3] 62a_200025704644_100000690851 [2,0,0,0,0,0|1,1,0]=4 2080 B10R1.20 COc1ccncc1OC 34a_100000101186_200000210301 [2,0,0,0,0,0|1,0,0]=3 2081 B10R1.20 COc1ccncc1O[13CH3] 34a_100000101186_200025704644 [2,0,0,0,0,0|1,0,0]=3 2082 B10R1.20 COc1ccncc1SC 62a_100011997281_200000210301 [2,0,0,0,0,0|1,1,0]=4 2083 B10R1.20 COc1ccncc1SC 62a_200000210301_100011997281 [2,0,0,0,0,0|1,1,0]=4 2084 B10R1.20 COc1ccncc1S[13CH3] 62a_100011997281_200025704644 [2,0,0,0,0,0|1,1,0]=4 2085 B10R1.20 COc1ccncc1S[13CH3] 62a_200025704644_100011997281 [2,0,0,0,0,0|1,1,0]=4 2086 B10R1.20 COc1cnccc1CO 34a_100000078615_200000210301 [2,0,0,0,0,0|1,0,1]=4 2087 B10R1.20 COc1cnccc1SC 62a_100016988167_200000210301 [2,0,0,0,0,0|1,1,0]=4 2088 B10R1.20 COc1cnccc1SC 62a_200000210301_100016988167 [2,0,0,0,0,0|1,1,0]=4 2089 B10R1.20 COc1cnccc1S[13CH3] 62a_100016988167_200025704644 [2,0,0,0,0,0|1,1,0]=4 2090 B10R1.20 COc1cnccc1S[13CH3] 62a_200025704644_100016988167 [2,0,0,0,0,0|1,1,0]=4 2091 B10R1.20 COc1ncccc1O[13CH3] 34a_100000698397_200025704644 [2,0,0,0,0,0|1,0,0]=3 2092 B10R1.20 COc1ncccc1O[13CH3] 7a_100000698397_200025704644 [2,0,0,0,0,0|1,0,0]=3 2093 B10R1.20 COc1ncccc1SC 62a_100000047025_200000210301 [2,0,0,0,0,0|1,1,0]=4 2094 B10R1.20 COc1ncccc1SC 62a_200000210301_100000047025 [2,0,0,0,0,0|1,1,0]=4 2095 B10R1.20 COc1ncccc1S[13CH3] 62a_100000047025_200025704644 [2,0,0,0,0,0|1,1,0]=4 2096 B10R1.20 COc1ncccc1S[13CH3] 62a_200025704644_100000047025 [2,0,0,0,0,0|1,1,0]=4 2097 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [2,0,0,0,0,0|0,1,0]=3 2098 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [2,0,0,0,0,0|0,1,0]=3 2099 B10R1.20 CSc1ccccc1CO 62a_100000187465_200000210301 [2,0,0,0,0,0|0,1,1]=4 2100 B10R1.20 CSc1ccccc1CO 62a_200000210301_100000187465 [2,0,0,0,0,0|0,1,1]=4 2101 B10R1.20 CSc1ccccc1N[13CH3] 34a_100000211160_200025704644 [2,0,0,0,0,0|1,1,0]=4 2102 B10R1.20 CSc1ccccc1O[13CH3] 34a_100011216402_200025704644 [2,0,0,0,0,0|0,1,0]=3 2103 B10R1.20 CSc1ccccc1SC 62a_100011217816_200000210301 [2,0,0,0,0,0|0,2,0]=4 2104 B10R1.20 CSc1ccccc1SC 62a_200000210301_100011217816 [2,0,0,0,0,0|0,2,0]=4 2105 B10R1.20 CSc1ccccc1S[13CH3] 62a_100011217816_200025704644 [2,0,0,0,0,0|0,2,0]=4 2106 B10R1.20 CSc1ccccc1S[13CH3] 62a_200025704644_100011217816 [2,0,0,0,0,0|0,2,0]=4 2107 B10R1.20 CSc1cccnc1C=O 62a_100011934733_200000210301 [2,0,0,0,0,0|1,1,0]=4 2108 B10R1.20 CSc1cccnc1C=O 62a_200000210301_100011934733 [2,0,0,0,0,0|1,1,0]=4 2109 B10R1.20 CSc1ccncc1C=O 62a_100000050567_200000210301 [2,0,0,0,0,0|1,1,0]=4 2110 B10R1.20 CSc1ccncc1C=O 62a_200000210301_100000050567 [2,0,0,0,0,0|1,1,0]=4 2111 B10R1.20 CSc1cnccc1C=O 62a_100011934409_200000210301 [2,0,0,0,0,0|1,1,0]=4 2112 B10R1.20 CSc1cnccc1C=O 62a_200000210301_100011934409 [2,0,0,0,0,0|1,1,0]=4 2113 B10R1.20 CSc1ncccc1C=O 62a_100009816751_200000210301 [2,0,0,0,0,0|1,1,0]=4 2114 B10R1.20 CSc1ncccc1C=O 62a_200000210301_100009816751 [2,0,0,0,0,0|1,1,0]=4 2115 B10R1.20 [13CH3]Nc1ccccc1CO 34a_100000212039_200025704644 [2,0,0,0,0,0|1,0,1]=4 2116 B10R1.20 [13CH3]Oc1ccccc1C#N 34a_100000211048_200025704644 [2,0,0,0,0,0|1,0,1]=4 2117 B10R1.20 [13CH3]Oc1ccccc1C#N 7a_100000211048_200025704644 [2,0,0,0,0,0|1,0,1]=4 2118 B10R1.20 [13CH3]Oc1ccccc1CN 34a_100000185550_200025704644 [2,0,0,0,0,0|1,0,1]=4 2119 B10R1.20 [13CH3]Oc1ccccc1CO 34a_100011216872_200025704644 [2,0,0,0,0,0|0,0,1]=3 2120 B10R1.20 [13CH3]Oc1cccnc1CO 34a_100000731849_200025704644 [2,0,0,0,0,0|1,0,1]=4 2121 B10R1.20 [13CH3]Oc1cnccc1CO 34a_100000078615_200025704644 [2,0,0,0,0,0|1,0,1]=4 2122 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [2,0,0,0,0,0|0,1,0]=3 2123 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [2,0,0,0,0,0|0,1,0]=3 2124 B10R1.20 [13CH3]Sc1ccccc1CO 62a_100000187465_200025704644 [2,0,0,0,0,0|0,1,1]=4 2125 B10R1.20 [13CH3]Sc1ccccc1CO 62a_200025704644_100000187465 [2,0,0,0,0,0|0,1,1]=4 2126 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_100011934733_200025704644 [2,0,0,0,0,0|1,1,0]=4 2127 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_200025704644_100011934733 [2,0,0,0,0,0|1,1,0]=4 2128 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_100000050567_200025704644 [2,0,0,0,0,0|1,1,0]=4 2129 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_200025704644_100000050567 [2,0,0,0,0,0|1,1,0]=4 2130 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_100011934409_200025704644 [2,0,0,0,0,0|1,1,0]=4 2131 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_200025704644_100011934409 [2,0,0,0,0,0|1,1,0]=4 2132 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_100009816751_200025704644 [2,0,0,0,0,0|1,1,0]=4 2133 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_200025704644_100009816751 [2,0,0,0,0,0|1,1,0]=4 2134 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [2,0,0,0,0,0|2,0,0]=4 2135 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [2,0,0,0,0,0|2,0,0]=4 2136 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [2,0,0,0,0,0|1,0,0]=3 2137 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [2,0,0,0,0,0|2,0,0]=4 2138 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [2,0,0,0,0,0|2,0,0]=4 2139 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [2,0,0,0,0,0|2,0,0]=4 2140 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [2,0,0,0,0,0|1,0,0]=3 2141 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [2,0,0,0,0,0|2,0,0]=4 2142 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [2,0,0,0,0,0|2,0,0]=4 2143 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [2,0,0,0,0,0|2,0,0]=4 2144 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [2,0,0,0,0,0|2,0,0]=4 2145 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [2,0,0,0,0,0|2,0,0]=4 2146 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [2,0,0,0,0,0|2,0,0]=4 2147 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [2,0,0,0,0,0|1,0,0]=3 2148 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [2,0,0,0,0,0|0,0,0]=2 2149 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [2,0,0,0,0,0|1,0,0]=3 2150 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [2,0,0,0,0,0|1,0,0]=3 2151 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [2,0,0,0,0,0|1,0,0]=3 2152 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [2,0,0,0,0,0|0,0,0]=2 2153 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [2,0,0,0,0,0|0,0,0]=2 2154 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [2,0,0,0,0,0|0,0,1]=3 2155 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [2,0,0,0,0,0|1,0,0]=3 2156 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [2,0,0,0,0,0|1,0,0]=3 2157 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [2,0,0,0,0,0|1,0,0]=3 2158 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [2,0,0,0,0,0|1,0,0]=3 2159 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [2,0,0,0,0,0|2,0,0]=4 2160 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [2,0,0,0,0,0|1,0,1]=4 2161 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [2,0,0,0,0,0|1,0,1]=4 2162 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [2,0,0,0,0,0|0,0,2]=4 2163 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [2,0,0,0,0,0|2,0,0]=4 2164 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [2,0,0,0,0,0|2,0,0]=4 2165 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [2,0,0,0,0,0|2,0,0]=4 2166 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [2,0,0,0,0,0|1,0,0]=3 2167 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [2,0,0,0,0,0|0,0,0]=2 2168 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [2,0,0,0,0,0|2,0,0]=4 2169 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [2,0,0,0,0,0|2,0,0]=4 2170 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [2,0,0,0,0,0|2,0,0]=4 2171 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [2,0,0,0,0,0|2,0,0]=4 2172 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [2,0,0,0,0,0|2,0,0]=4 2173 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [2,0,0,0,0,0|2,0,0]=4 2174 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [2,0,0,0,0,0|1,0,0]=3 2175 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [2,0,0,0,0,0|2,0,0]=4 2176 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [2,0,0,0,0,0|2,0,0]=4 2177 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [2,0,0,0,0,0|2,0,0]=4 2178 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [2,0,0,0,0,0|2,0,0]=4 2179 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [2,0,0,0,0,0|1,0,1]=4 2180 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [2,0,0,0,0,0|1,0,0]=3 2181 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [2,0,0,0,0,0|1,0,0]=3 2182 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [2,0,0,0,0,0|1,0,0]=3 2183 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [2,0,0,0,0,0|1,0,0]=3 2184 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [2,0,0,0,0,0|0,0,0]=2 2185 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [2,0,0,0,0,0|0,0,1]=3 2186 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [2,0,0,0,0,0|1,0,0]=3 2187 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [2,0,0,0,0,0|1,0,0]=3 2188 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [2,0,0,0,0,0|1,0,0]=3 2189 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [2,0,0,0,0,0|1,0,0]=3 2190 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [2,0,0,0,0,0|1,0,0]=3 2191 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [2,0,0,0,0,0|1,0,1]=4 2192 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [2,0,0,0,0,0|1,0,1]=4 2193 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [2,0,0,0,0,0|1,0,1]=4 2194 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [2,0,0,0,0,0|1,0,1]=4 2195 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [2,0,0,0,0,0|1,0,1]=4 2196 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [2,0,0,0,0,0|2,0,0]=4 2197 B12R0.126 C=CCNC/C(=C\C(=O)OC)/OC 2230a_100020586998_100016998490 [0,1,1,0,0,0|0,0,2]=4 2198 B12R0.126 C=CCOC/C(=C\C(=O)OC)/OC 34a_200000210373_100016998490 [0,1,1,0,0,0|0,0,2]=4 2199 B12R0.126 C=CCSC/C(=C\C(=O)OC)/OC 62a_100000210623_100016998490 [0,1,1,0,0,0|0,0,2]=4 2200 B12R0.126 C=CCSC/C(=C\C(=O)OC)/OC 62a_100016998490_100000210623 [0,1,1,0,0,0|0,0,2]=4 2201 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [1,1,0,0,0,0|2,0,0]=4 2202 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [1,1,0,0,0,0|2,0,0]=4 2203 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 34a_100011218612_200025704644 [1,1,0,0,0,0|2,0,0]=4 2204 B12R1.75 CC(C)Oc1ccccc1O[13CH3] 7a_100011218612_200025704644 [1,1,0,0,0,0|2,0,0]=4 2205 B12R1.75 CCc1ccccc1C=C(C)C 271570a_100102525489_100011215823 [1,1,0,0,0,0|2,0,0]=4 2206 B12R1.75 CNc1ccccc1C=C(C)C 271570a_100102525489_100020606079 [1,1,0,0,0,0|2,0,0]=4 2207 B12R1.75 COc1ccccc1C=C(C)C 271570a_100102525489_100000174000 [1,1,0,0,0,0|1,0,0]=3 2208 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [1,1,0,0,0,0|1,0,1]=4 2209 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [1,1,0,0,0,0|1,0,1]=4 2210 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [1,1,0,0,0,0|1,0,1]=4 2211 B12R1.75 COc1ccccc1CN(C)C 2230a_100000184376_200000210301 [1,1,0,0,0,0|1,0,1]=4 2212 B12R1.75 COc1ccccc1CN(C)C 2230a_100102631434_100000210004 [1,1,0,0,0,0|1,0,1]=4 2213 B12R1.75 COc1ccccc1CN(C)C 269982a_100000184376_200000210301 [1,1,0,0,0,0|1,0,1]=4 2214 B12R1.75 COc1ccccc1CN(C)C 269982a_100102631434_100000210004 [1,1,0,0,0,0|1,0,1]=4 2215 B12R1.75 COc1ccccc1CN(C)C 270004a_100102631434_100000169842 [1,1,0,0,0,0|1,0,1]=4 2216 B12R1.75 COc1ccccc1CN(C)[13CH3] 2230a_100000184376_200025704644 [1,1,0,0,0,0|1,0,1]=4 2217 B12R1.75 COc1ccccc1CN(C)[13CH3] 269982a_100000184376_200025704644 [1,1,0,0,0,0|1,0,1]=4 2218 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [1,1,0,0,0,0|2,0,0]=4 2219 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [1,1,0,0,0,0|2,0,0]=4 2220 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [1,1,0,0,0,0|2,0,0]=4 2221 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [1,1,0,0,0,0|2,0,0]=4 2222 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [1,1,0,0,0,0|2,0,0]=4 2223 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [1,1,0,0,0,0|2,0,0]=4 2224 B12R1.75 COc1ccccc1NC(C)C 34a_100000210025_100000210206 [1,1,0,0,0,0|2,0,0]=4 2225 B12R1.75 COc1ccccc1OC(C)C 34a_100000210385_100000210206 [1,1,0,0,0,0|2,0,0]=4 2226 B12R1.75 COc1ccccc1OC(C)C 34a_100011218612_200000210301 [1,1,0,0,0,0|2,0,0]=4 2227 B12R1.75 COc1ccccc1OC(C)C 7a_100011218612_200000210301 [1,1,0,0,0,0|2,0,0]=4 2228 B12R1.75 COc1ccccc1SC(C)C 62a_100000210206_100000210334 [1,1,0,0,0,0|2,0,0]=4 2229 B12R1.75 COc1ccccc1SC(C)C 62a_100000210334_100000210206 [1,1,0,0,0,0|2,0,0]=4 2230 B12R1.75 COc1cccnc1C=C(C)C 271570a_100102525489_100000690851 [1,1,0,0,0,0|2,0,0]=4 2231 B12R1.75 COc1ccncc1C=C(C)C 271570a_100102525489_100011997281 [1,1,0,0,0,0|2,0,0]=4 2232 B12R1.75 COc1cnccc1C=C(C)C 271570a_100102525489_100016988167 [1,1,0,0,0,0|2,0,0]=4 2233 B12R1.75 COc1ncccc1C=C(C)C 271570a_100102525489_100000047025 [1,1,0,0,0,0|2,0,0]=4 2234 B12R1.75 CSc1ccccc1C=C(C)C 271570a_100102525489_100011217816 [1,1,0,0,0,0|1,1,0]=4 2235 B12R1.112 C=C=Cc1ccc(cc1OC)Br 271570a_100015277604_100010245111 [1,1,0,0,0,0|1,0,1]=4 2236 B12R1.112 C=C=Cc1ccc(cc1OC)C 271570a_100015277604_100010200004 [1,1,0,0,0,0|1,0,1]=4 2237 B12R1.112 C=C=Cc1ccc(cc1OC)Cl 271570a_100015277604_100000050115 [1,1,0,0,0,0|1,0,1]=4 2238 B12R1.112 C=C=Cc1ccc(cc1OC)F 271570a_100015277604_100000757151 [1,1,0,0,0,0|1,0,1]=4 2239 B12R1.112 C=C=Cc1ccc(cc1OC)N 271570a_100015277604_100000765947 [1,1,0,0,0,0|1,0,1]=4 2240 B12R1.112 C=C=Cc1ccc(cc1OC)O 271570a_100015277604_100011827694 [1,1,0,0,0,0|1,0,1]=4 2241 B12R1.112 CC=Cc1ccc(cc1CC)Br 271570a_100016259895_100011216195 [1,1,0,0,0,0|2,0,0]=4 2242 B12R1.112 CC=Cc1ccc(cc1CC)N 271570a_100016259895_100010109747 [1,1,0,0,0,0|2,0,0]=4 2243 B12R1.112 CC=Cc1ccc(cc1NC)F 271570a_100016259895_100020633008 [1,1,0,0,0,0|2,0,0]=4 2244 B12R1.112 CC=Cc1ccc(cc1OC)Br 271570a_100016259895_100010245111 [1,1,0,0,0,0|1,0,0]=3 2245 B12R1.112 CC=Cc1ccc(cc1OC)C 271570a_100016259895_100010200004 [1,1,0,0,0,0|1,0,0]=3 2246 B12R1.112 CC=Cc1ccc(cc1OC)Cl 271570a_100016259895_100000050115 [1,1,0,0,0,0|1,0,0]=3 2247 B12R1.112 CC=Cc1ccc(cc1OC)F 271570a_100016259895_100000757151 [1,1,0,0,0,0|1,0,0]=3 2248 B12R1.112 CC=Cc1ccc(cc1OC)N 271570a_100016259895_100000765947 [1,1,0,0,0,0|1,0,0]=3 2249 B12R1.112 CC=Cc1ccc(cc1OC)O 271570a_100016259895_100011827694 [1,1,0,0,0,0|1,0,0]=3 2250 B12R1.112 CC=Cc1ccc(cc1SC)C 271570a_100016259895_200010709736 [1,1,0,0,0,0|1,1,0]=4 2251 B12R1.112 CC=Cc1ccc(nc1OC)C 271570a_100016259895_100010138632 [1,1,0,0,0,0|2,0,0]=4 2252 B12R1.112 CC=Cc1ccc(nc1OC)N 271570a_100016259895_100010187630 [1,1,0,0,0,0|2,0,0]=4 2253 B12R1.112 CC=Cc1cnc(cc1OC)C 271570a_100016259895_100000717771 [1,1,0,0,0,0|2,0,0]=4 2254 B12R1.112 CC=Cc1cnc(cc1OC)Cl 271570a_100016259895_100010154656 [1,1,0,0,0,0|2,0,0]=4 2255 B12R1.112 CC=Cc1cnc(cc1OC)F 271570a_100016259895_100010135560 [1,1,0,0,0,0|2,0,0]=4 2256 B12R1.112 CC=Cc1cnc(cc1OC)N 271570a_100016259895_100015506990 [1,1,0,0,0,0|2,0,0]=4 2257 B12R1.112 CC=Cc1ncc(cc1OC)C 271570a_100016259895_200000118316 [1,1,0,0,0,0|2,0,0]=4 2258 B12R1.112 CC=Cc1ncc(cc1OC)F 271570a_100016259895_100009867738 [1,1,0,0,0,0|2,0,0]=4 2259 B12R1.112 CC=Cc1ncc(cc1OC)N 271570a_100016259895_100000097218 [1,1,0,0,0,0|2,0,0]=4 2260 B12R1.112 CCNc1ccc(cc1OC)Br 34a_100011279103_100000210202 [1,1,0,0,0,0|2,0,0]=4 2261 B12R1.112 CCNc1ccc(cc1OC)C 2230a_100000746441_100000210202 [1,1,0,0,0,0|2,0,0]=4 2262 B12R1.112 CCNc1ccc(cc1OC)C 34a_100000746441_100000210202 [1,1,0,0,0,0|2,0,0]=4 2263 B12R1.112 CCNc1ccc(cc1OC)Cl 34a_100000707585_100000210202 [1,1,0,0,0,0|2,0,0]=4 2264 B12R1.112 CCNc1ccc(cc1OC)F 34a_100000737216_100000210202 [1,1,0,0,0,0|2,0,0]=4 2265 B12R1.112 CCNc1ccc(cc1OC)I 34a_100015196925_100000210202 [1,1,0,0,0,0|2,0,0]=4 2266 B12R1.112 CCNc1ccc(cc1OC)O 34a_100015326901_100000210202 [1,1,0,0,0,0|2,0,0]=4 2267 B12R1.112 CCOc1ccc(cc1OC)Br 34a_100000694246_100000210202 [1,1,0,0,0,0|2,0,0]=4 2268 B12R1.112 CCOc1ccc(cc1OC)Br 7a_100000694246_100000210202 [1,1,0,0,0,0|2,0,0]=4 2269 B12R1.112 CCOc1ccc(cc1OC)C 34a_100000186466_100000210202 [1,1,0,0,0,0|2,0,0]=4 2270 B12R1.112 CCOc1ccc(cc1OC)Cl 34a_100000033002_100000210202 [1,1,0,0,0,0|2,0,0]=4 2271 B12R1.112 CCOc1ccc(cc1OC)F 34a_100000036057_100000210202 [1,1,0,0,0,0|2,0,0]=4 2272 B12R1.112 CCOc1ccc(cc1OC)F 7a_100000036057_100000210202 [1,1,0,0,0,0|2,0,0]=4 2273 B12R1.112 CCOc1ccc(cc1OC)I 34a_100000049635_100000210202 [1,1,0,0,0,0|2,0,0]=4 2274 B12R1.112 CCOc1ccc(cc1OC)N 34a_100000726020_100000210202 [1,1,0,0,0,0|2,0,0]=4 2275 B12R1.112 CCOc1ccc(cc1OC)O 271570a_203496583355_200012344064 [1,1,0,0,0,0|2,0,0]=4 2276 B12R1.112 CCSc1ccc(cc1OC)Br 62a_100000210202_100010245111 [1,1,0,0,0,0|2,0,0]=4 2277 B12R1.112 CCSc1ccc(cc1OC)Br 62a_100010245111_100000210202 [1,1,0,0,0,0|2,0,0]=4 2278 B12R1.112 CCSc1ccc(cc1OC)C 62a_100000210202_100010200004 [1,1,0,0,0,0|2,0,0]=4 2279 B12R1.112 CCSc1ccc(cc1OC)C 62a_100010200004_100000210202 [1,1,0,0,0,0|2,0,0]=4 2280 B12R1.112 CCSc1ccc(cc1OC)Cl 62a_100000050115_100000210202 [1,1,0,0,0,0|2,0,0]=4 2281 B12R1.112 CCSc1ccc(cc1OC)Cl 62a_100000210202_100000050115 [1,1,0,0,0,0|2,0,0]=4 2282 B12R1.112 CCSc1ccc(cc1OC)F 62a_100000210202_100000757151 [1,1,0,0,0,0|2,0,0]=4 2283 B12R1.112 CCSc1ccc(cc1OC)F 62a_100000757151_100000210202 [1,1,0,0,0,0|2,0,0]=4 2284 B12R1.112 CCSc1ccc(cc1OC)N 62a_100000210202_100000765947 [1,1,0,0,0,0|2,0,0]=4 2285 B12R1.112 CCSc1ccc(cc1OC)N 62a_100000765947_100000210202 [1,1,0,0,0,0|2,0,0]=4 2286 B12R1.112 CCSc1ccc(cc1OC)O 62a_100000210202_100011827694 [1,1,0,0,0,0|2,0,0]=4 2287 B12R1.112 CNCc1ccc(cc1OC)Br 207a_100102657272_100000697075 [1,1,0,0,0,0|1,0,1]=4 2288 B12R1.112 CNCc1ccc(cc1OC)Br 2230a_106832991635_100012359436 [1,1,0,0,0,0|1,0,1]=4 2289 B12R1.112 CNCc1ccc(cc1OC)Br 26a_100102657272_100000694246 [1,1,0,0,0,0|1,0,1]=4 2290 B12R1.112 CNCc1ccc(cc1OC)Br 270004a_106832991635_100000697075 [1,1,0,0,0,0|1,0,1]=4 2291 B12R1.112 CNCc1ccc(cc1OC)Br 34a_100102657272_100012359436 [1,1,0,0,0,0|1,0,1]=4 2292 B12R1.112 CNCc1ccc(cc1OC)Br 7a_106832991635_100012359436 [1,1,0,0,0,0|1,0,1]=4 2293 B12R1.112 CNCc1ccc(cc1OC)C 207a_100102657272_100000689369 [1,1,0,0,0,0|1,0,1]=4 2294 B12R1.112 CNCc1ccc(cc1OC)C 270004a_106832991635_100000689369 [1,1,0,0,0,0|1,0,1]=4 2295 B12R1.112 CNCc1ccc(cc1OC)Cl 207a_100102657272_100000235374 [1,1,0,0,0,0|1,0,1]=4 2296 B12R1.112 CNCc1ccc(cc1OC)Cl 270004a_106832991635_100000235374 [1,1,0,0,0,0|1,0,1]=4 2297 B12R1.112 CNCc1ccc(cc1OC)F 207a_100102657272_100000042785 [1,1,0,0,0,0|1,0,1]=4 2298 B12R1.112 CNCc1ccc(cc1OC)F 2230a_106832991635_200010171551 [1,1,0,0,0,0|1,0,1]=4 2299 B12R1.112 CNCc1ccc(cc1OC)F 270004a_106832991635_100000042785 [1,1,0,0,0,0|1,0,1]=4 2300 B12R1.112 CNCc1ccc(cc1OC)F 34a_100000062129_200000210301 [1,1,0,0,0,0|1,0,1]=4 2301 B12R1.112 CNCc1ccc(cc1OC)F 34a_100102657272_200010171551 [1,1,0,0,0,0|1,0,1]=4 2302 B12R1.112 CNCc1ccc(cc1OC)F 7a_106832991635_200010171551 [1,1,0,0,0,0|1,0,1]=4 2303 B12R1.112 CNCc1ccc(cc1OC)I 207a_100102657272_100010290300 [1,1,0,0,0,0|1,0,1]=4 2304 B12R1.112 CNc1cc(ccc1COC)Br 34a_100013084866_200000210301 [1,1,0,0,0,0|1,0,1]=4 2305 B12R1.112 CNc1cc(ccc1COC)Br 7a_100013084866_200000210301 [1,1,0,0,0,0|1,0,1]=4 2306 B12R1.112 COCc1ccc(cc1N[13CH3])Br 34a_100013084866_200025704644 [1,1,0,0,0,0|1,0,1]=4 2307 B12R1.112 COCc1ccc(cc1N[13CH3])Br 7a_100013084866_200025704644 [1,1,0,0,0,0|1,0,1]=4 2308 B12R1.112 COCc1ccc(cc1OC)Br 34a_100011277633_200000210301 [1,1,0,0,0,0|0,0,1]=3 2309 B12R1.112 COCc1ccc(cc1OC)Br 34a_100138415774_100012359436 [1,1,0,0,0,0|0,0,1]=3 2310 B12R1.112 COCc1ccc(cc1OC)Br 7a_100011277633_200000210301 [1,1,0,0,0,0|0,0,1]=3 2311 B12R1.112 COCc1ccc(cc1OC)C 34a_200012017176_200000210301 [1,1,0,0,0,0|0,0,1]=3 2312 B12R1.112 COCc1ccc(cc1OC)C 7a_200012017176_200000210301 [1,1,0,0,0,0|0,0,1]=3 2313 B12R1.112 COCc1ccc(cc1OC)Cl 34a_200011215853_200000210301 [1,1,0,0,0,0|0,0,1]=3 2314 B12R1.112 COCc1ccc(cc1OC)Cl 7a_200011215853_200000210301 [1,1,0,0,0,0|0,0,1]=3 2315 B12R1.112 COCc1ccc(cc1OC)F 34a_100000117171_200000210301 [1,1,0,0,0,0|0,0,1]=3 2316 B12R1.112 COCc1ccc(cc1OC)F 34a_100138415774_200010171551 [1,1,0,0,0,0|0,0,1]=3 2317 B12R1.112 COCc1ccc(cc1OC)F 7a_100000117171_200000210301 [1,1,0,0,0,0|0,0,1]=3 2318 B12R1.112 COCc1ccc(cc1OC)I 34a_100010233823_200000210301 [1,1,0,0,0,0|0,0,1]=3 2319 B12R1.112 COCc1ccc(cc1OC)I 7a_100010233823_200000210301 [1,1,0,0,0,0|0,0,1]=3 2320 B12R1.112 COCc1ccc(cc1OC)N 34a_100012183141_200000210301 [1,1,0,0,0,0|0,0,1]=3 2321 B12R1.112 COCc1ccc(nc1OC)Br 34a_100010988397_200000210301 [1,1,0,0,0,0|1,0,1]=4 2322 B12R1.112 COCc1ccc(nc1OC)Br 34a_100138415774_100016029037 [1,1,0,0,0,0|1,0,1]=4 2323 B12R1.112 COCc1ccc(nc1OC)Cl 34a_200009869906_200000210301 [1,1,0,0,0,0|1,0,1]=4 2324 B12R1.112 COCc1cnc(cc1OC)Cl 34a_100010714672_200000210301 [1,1,0,0,0,0|1,0,1]=4 2325 B12R1.112 COCc1ncc(cc1OC)Br 34a_200010246159_200000210301 [1,1,0,0,0,0|1,0,1]=4 2326 B12R1.112 COCc1ncc(cc1OC)Br 7a_200010246159_200000210301 [1,1,0,0,0,0|1,0,1]=4 2327 B12R1.112 COc1cc(ccc1CN[13CH3])F 34a_100000062129_200025704644 [1,1,0,0,0,0|1,0,1]=4 2328 B12R1.112 COc1cc(ccc1CO[13CH3])Br 34a_100011277633_200025704644 [1,1,0,0,0,0|0,0,1]=3 2329 B12R1.112 COc1cc(ccc1CO[13CH3])Br 7a_100011277633_200025704644 [1,1,0,0,0,0|0,0,1]=3 2330 B12R1.112 COc1cc(ccc1CO[13CH3])C 34a_200012017176_200025704644 [1,1,0,0,0,0|0,0,1]=3 2331 B12R1.112 COc1cc(ccc1CO[13CH3])C 7a_200012017176_200025704644 [1,1,0,0,0,0|0,0,1]=3 2332 B12R1.112 COc1cc(ccc1CO[13CH3])Cl 34a_200011215853_200025704644 [1,1,0,0,0,0|0,0,1]=3 2333 B12R1.112 COc1cc(ccc1CO[13CH3])Cl 7a_200011215853_200025704644 [1,1,0,0,0,0|0,0,1]=3 2334 B12R1.112 COc1cc(ccc1CO[13CH3])F 34a_100000117171_200025704644 [1,1,0,0,0,0|0,0,1]=3 2335 B12R1.112 COc1cc(ccc1CO[13CH3])F 7a_100000117171_200025704644 [1,1,0,0,0,0|0,0,1]=3 2336 B12R1.112 COc1cc(ccc1CO[13CH3])I 34a_100010233823_200025704644 [1,1,0,0,0,0|0,0,1]=3 2337 B12R1.112 COc1cc(ccc1CO[13CH3])I 7a_100010233823_200025704644 [1,1,0,0,0,0|0,0,1]=3 2338 B12R1.112 COc1cc(ccc1CO[13CH3])N 34a_100012183141_200025704644 [1,1,0,0,0,0|0,0,1]=3 2339 B12R1.112 COc1cc(ccc1CSC)Br 62a_100012359436_200000210301 [1,1,0,0,0,0|0,1,1]=4 2340 B12R1.112 COc1cc(ccc1CSC)Br 62a_200000210301_100012359436 [1,1,0,0,0,0|0,1,1]=4 2341 B12R1.112 COc1cc(ccc1CSC)F 62a_200000210301_200010171551 [1,1,0,0,0,0|0,1,1]=4 2342 B12R1.112 COc1cc(ccc1CSC)F 62a_200010171551_200000210301 [1,1,0,0,0,0|0,1,1]=4 2343 B12R1.112 COc1cc(ccc1CS[13CH3])Br 62a_100012359436_200025704644 [1,1,0,0,0,0|0,1,1]=4 2344 B12R1.112 COc1cc(ccc1CS[13CH3])Br 62a_200025704644_100012359436 [1,1,0,0,0,0|0,1,1]=4 2345 B12R1.112 COc1cc(ccc1CS[13CH3])F 62a_200010171551_200025704644 [1,1,0,0,0,0|0,1,1]=4 2346 B12R1.112 COc1cc(ccc1CS[13CH3])F 62a_200025704644_200010171551 [1,1,0,0,0,0|0,1,1]=4 2347 B12R1.112 COc1cc(cnc1CO[13CH3])Br 34a_200010246159_200025704644 [1,1,0,0,0,0|1,0,1]=4 2348 B12R1.112 COc1cc(cnc1CO[13CH3])Br 7a_200010246159_200025704644 [1,1,0,0,0,0|1,0,1]=4 2349 B12R1.112 COc1cc(ncc1CO[13CH3])Cl 34a_100010714672_200025704644 [1,1,0,0,0,0|1,0,1]=4 2350 B12R1.112 COc1nc(ccc1CO[13CH3])Br 34a_100010988397_200025704644 [1,1,0,0,0,0|1,0,1]=4 2351 B12R1.112 COc1nc(ccc1CO[13CH3])Cl 34a_200009869906_200025704644 [1,1,0,0,0,0|1,0,1]=4 2352 B12R1.121 CC=NNc1ccccc1OC 4a_100000751209_200000210099 [1,1,0,0,0,0|2,0,0]=4 2353 B12R1.121 CCCCc1ccccc1OC 271570a_100020621405_100000174000 [1,1,0,0,0,0|1,0,1]=4 2354 B12R1.121 CCCNc1ccccc1OC 34a_100000210025_100000210303 [1,1,0,0,0,0|1,0,1]=4 2355 B12R1.121 CCCOc1ccccc1OC 34a_100000180214_200000210301 [1,1,0,0,0,0|1,0,1]=4 2356 B12R1.121 CCCOc1ccccc1OC 34a_100000210385_100000210303 [1,1,0,0,0,0|1,0,1]=4 2357 B12R1.121 CCCOc1ccccc1OC 7a_100000180214_200000210301 [1,1,0,0,0,0|1,0,1]=4 2358 B12R1.121 CCCOc1ccccc1O[13CH3] 34a_100000180214_200025704644 [1,1,0,0,0,0|1,0,1]=4 2359 B12R1.121 CCCOc1ccccc1O[13CH3] 7a_100000180214_200025704644 [1,1,0,0,0,0|1,0,1]=4 2360 B12R1.121 CCCSc1ccccc1OC 62a_100000210303_100000210334 [1,1,0,0,0,0|1,0,1]=4 2361 B12R1.121 CCCSc1ccccc1OC 62a_100000210334_100000210303 [1,1,0,0,0,0|1,0,1]=4 2362 B12R1.121 CCNCc1ccccc1OC 207a_100015525214_100000169842 [1,1,0,0,0,0|1,0,1]=4 2363 B12R1.121 CCNCc1ccccc1OC 2230a_100015525214_100000210004 [1,1,0,0,0,0|1,0,1]=4 2364 B12R1.121 CCNCc1ccccc1OC 270004a_100015525214_100000169842 [1,1,0,0,0,0|1,0,1]=4 2365 B12R1.121 CCNCc1ccccc1OC 34a_100000188900_100000210202 [1,1,0,0,0,0|1,0,1]=4 2366 B12R1.121 CCOCc1ccccc1CC 34a_100011663872_100000210202 [1,1,0,0,0,0|1,0,1]=4 2367 B12R1.121 CCOCc1ccccc1CC 7a_100011663872_100000210202 [1,1,0,0,0,0|1,0,1]=4 2368 B12R1.121 CCOCc1ccccc1OC 34a_100000211301_100000210202 [1,1,0,0,0,0|0,0,1]=3 2369 B12R1.121 CCOCc1ccccc1OC 34a_100121572206_100000210004 [1,1,0,0,0,0|0,0,1]=3 2370 B12R1.121 CCOCc1ccccc1SC 34a_100000699167_100000210202 [1,1,0,0,0,0|0,1,1]=4 2371 B12R1.121 CCOCc1ccccc1SC 34a_100121572206_100000699184 [1,1,0,0,0,0|0,1,1]=4 2372 B12R1.121 CCOCc1ccccc1SC 62a_200000210301_200011493690 [1,1,0,0,0,0|0,1,1]=4 2373 B12R1.121 CCOCc1ccccc1SC 62a_200011493690_200000210301 [1,1,0,0,0,0|0,1,1]=4 2374 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200011493690_200025704644 [1,1,0,0,0,0|0,1,1]=4 2375 B12R1.121 CCOCc1ccccc1S[13CH3] 62a_200025704644_200011493690 [1,1,0,0,0,0|0,1,1]=4 2376 B12R1.121 CCOCc1cccnc1OC 34a_100000717863_100000210202 [1,1,0,0,0,0|1,0,1]=4 2377 B12R1.121 CCOCc1cccnc1OC 34a_100121572206_100020631285 [1,1,0,0,0,0|1,0,1]=4 2378 B12R1.121 CCOCc1ncccc1OC 34a_100011998681_100000210202 [1,1,0,0,0,0|1,0,1]=4 2379 B12R1.121 CCSCc1ccccc1OC 62a_100000210004_100000210202 [1,1,0,0,0,0|0,1,1]=4 2380 B12R1.121 CCSCc1ccccc1OC 62a_100000210202_100000210004 [1,1,0,0,0,0|0,1,1]=4 2381 B12R1.121 CCc1ccccc1COCF 34a_100011663872_100015361967 [1,1,0,0,0,0|1,0,1]=4 2382 B12R1.121 CCc1ccccc1COCF 7a_100011663872_100015361967 [1,1,0,0,0,0|1,0,1]=4 2383 B12R1.121 CCc1ccccc1NCOC 2230a_100000212081_100000766300 [1,1,0,0,0,0|1,0,1]=4 2384 B12R1.121 CCc1ccccc1SCOC 62a_100000766300_100011215823 [1,1,0,0,0,0|1,0,1]=4 2385 B12R1.121 CCc1ccccc1SCOC 62a_100011215823_100000766300 [1,1,0,0,0,0|1,0,1]=4 2386 B12R1.121 CNCCc1ccccc1OC 2230a_100000211851_200000210301 [1,1,0,0,0,0|1,0,1]=4 2387 B12R1.121 CNCCc1ccccc1OC 2230a_106832991635_100011713687 [1,1,0,0,0,0|1,0,1]=4 2388 B12R1.121 CNCCc1ccccc1OC 270004a_106832991635_100011713418 [1,1,0,0,0,0|1,0,1]=4 2389 B12R1.121 CNCCc1ccccc1OC 34a_100000211851_200000210301 [1,1,0,0,0,0|1,0,1]=4 2390 B12R1.121 CNCCc1ccccc1OC 34a_100102657272_100011713687 [1,1,0,0,0,0|1,0,1]=4 2391 B12R1.121 CNCCc1ccccc1OC 7a_106832991635_100011713687 [1,1,0,0,0,0|1,0,1]=4 2392 B12R1.121 CNc1ccccc1SCOC 62a_100000766300_100020606079 [1,1,0,0,0,0|1,0,1]=4 2393 B12R1.121 CNc1ccccc1SCOC 62a_100020606079_100000766300 [1,1,0,0,0,0|1,0,1]=4 2394 B12R1.121 COCCc1ccccc1OC 34a_100000722730_200000210301 [1,1,0,0,0,0|0,0,1]=3 2395 B12R1.121 COCCc1ccccc1OC 34a_100011218620_200000210301 [1,1,0,0,0,0|0,0,1]=3 2396 B12R1.121 COCCc1ccccc1OC 34a_100138415774_100011713687 [1,1,0,0,0,0|0,0,1]=3 2397 B12R1.121 COCCc1ccccc1OC 7a_100000722730_200000210301 [1,1,0,0,0,0|0,0,1]=3 2398 B12R1.121 COCCc1ccccc1OC 7a_100011218620_200000210301 [1,1,0,0,0,0|0,0,1]=3 2399 B12R1.121 COCCc1ccccc1O[13CH3] 34a_100000722730_200025704644 [1,1,0,0,0,0|0,0,1]=3 2400 B12R1.121 COCCc1ccccc1O[13CH3] 7a_100000722730_200025704644 [1,1,0,0,0,0|0,0,1]=3 2401 B12R1.121 COCOc1ccccc1SC 62a_200000210301_200000230759 [1,1,0,0,0,0|0,1,1]=4 2402 B12R1.121 COCOc1ccccc1SC 62a_200000230759_200000210301 [1,1,0,0,0,0|0,1,1]=4 2403 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200000230759_200025704644 [1,1,0,0,0,0|0,1,1]=4 2404 B12R1.121 COCOc1ccccc1S[13CH3] 62a_200025704644_200000230759 [1,1,0,0,0,0|0,1,1]=4 2405 B12R1.121 COCSc1ccccc1OC 62a_100000210334_100000766300 [1,1,0,0,0,0|0,0,1]=3 2406 B12R1.121 COCSc1ccccc1OC 62a_100000766300_100000210334 [1,1,0,0,0,0|0,0,1]=3 2407 B12R1.121 COCSc1ccccc1SC 62a_100000766300_100011217816 [1,1,0,0,0,0|0,1,1]=4 2408 B12R1.121 COCSc1ccccc1SC 62a_100011217816_100000766300 [1,1,0,0,0,0|0,1,1]=4 2409 B12R1.121 COCSc1cccnc1OC 62a_100000047025_100000766300 [1,1,0,0,0,0|1,0,1]=4 2410 B12R1.121 COCSc1cccnc1OC 62a_100000766300_100000047025 [1,1,0,0,0,0|1,0,1]=4 2411 B12R1.121 COCSc1ccncc1OC 62a_100000766300_100016988167 [1,1,0,0,0,0|1,0,1]=4 2412 B12R1.121 COCSc1ccncc1OC 62a_100016988167_100000766300 [1,1,0,0,0,0|1,0,1]=4 2413 B12R1.121 COCSc1cnccc1OC 62a_100000766300_100011997281 [1,1,0,0,0,0|1,0,1]=4 2414 B12R1.121 COCSc1cnccc1OC 62a_100011997281_100000766300 [1,1,0,0,0,0|1,0,1]=4 2415 B12R1.121 COCSc1ncccc1OC 62a_100000766300_100000690851 [1,1,0,0,0,0|1,0,1]=4 2416 B12R1.121 COCSc1ncccc1OC 62a_100000767102_100000766300 [1,1,0,0,0,0|1,0,1]=4 2417 B12R1.121 COc1ccccc1CCN[13CH3] 2230a_100000211851_200025704644 [1,1,0,0,0,0|1,0,1]=4 2418 B12R1.121 COc1ccccc1CCN[13CH3] 34a_100000211851_200025704644 [1,1,0,0,0,0|1,0,1]=4 2419 B12R1.121 COc1ccccc1CCO[13CH3] 34a_100011218620_200025704644 [1,1,0,0,0,0|0,0,1]=3 2420 B12R1.121 COc1ccccc1CCO[13CH3] 7a_100011218620_200025704644 [1,1,0,0,0,0|0,0,1]=3 2421 B12R1.121 COc1ccccc1CCSC 62a_100011713687_200000210301 [1,1,0,0,0,0|0,1,1]=4 2422 B12R1.121 COc1ccccc1CCSC 62a_200000210301_100011713687 [1,1,0,0,0,0|0,1,1]=4 2423 B12R1.121 COc1ccccc1CCS[13CH3] 62a_100011713687_200025704644 [1,1,0,0,0,0|0,1,1]=4 2424 B12R1.121 COc1ccccc1CCS[13CH3] 62a_200025704644_100011713687 [1,1,0,0,0,0|0,1,1]=4 2425 B12R1.121 COc1ccccc1CNCF 34a_100000188900_100015361967 [1,1,0,0,0,0|1,0,1]=4 2426 B12R1.121 COc1ccccc1COCF 34a_100000211301_100015361967 [1,1,0,0,0,0|0,0,1]=3 2427 B12R1.121 COc1ccccc1CSCF 62a_100000210004_100015361967 [1,1,0,0,0,0|0,1,1]=4 2428 B12R1.121 COc1ccccc1CSCF 62a_100015361967_100000210004 [1,1,0,0,0,0|0,1,1]=4 2429 B12R1.121 COc1ccccc1NCCF 34a_100000210025_100011217306 [1,1,0,0,0,0|2,0,0]=4 2430 B12R1.121 COc1ccccc1NCCO 34a_100000210025_100000211926 [1,1,0,0,0,0|2,0,0]=4 2431 B12R1.121 COc1ccccc1NCSC 34a_100000210025_100011218213 [1,1,0,0,0,0|0,1,1]=4 2432 B12R1.121 COc1ccccc1OCCF 34a_100000210385_100011217306 [1,1,0,0,0,0|2,0,0]=4 2433 B12R1.121 COc1ccccc1OCCO 34a_100000181789_200000210301 [1,1,0,0,0,0|2,0,0]=4 2434 B12R1.121 COc1ccccc1OCCO 34a_100000210385_100000211926 [1,1,0,0,0,0|2,0,0]=4 2435 B12R1.121 COc1ccccc1OCCO 7a_100000181789_200000210301 [1,1,0,0,0,0|2,0,0]=4 2436 B12R1.121 COc1ccccc1OCSC 34a_100000210385_100011218213 [1,1,0,0,0,0|0,1,1]=4 2437 B12R1.121 COc1ccccc1SCCF 62a_100000210334_100011217306 [1,1,0,0,0,0|2,0,0]=4 2438 B12R1.121 COc1ccccc1SCCF 62a_100011217306_100000210334 [1,1,0,0,0,0|2,0,0]=4 2439 B12R1.121 COc1ccccc1SCCO 62a_100000210334_100000211926 [1,1,0,0,0,0|2,0,0]=4 2440 B12R1.121 COc1ccccc1SCCO 62a_100000211926_100000210334 [1,1,0,0,0,0|2,0,0]=4 2441 B12R1.121 COc1ccccc1SCSC 62a_100000210334_100011218213 [1,1,0,0,0,0|0,1,1]=4 2442 B12R1.121 COc1ccccc1SCSC 62a_100011218213_100000210334 [1,1,0,0,0,0|0,1,1]=4 2443 B12R1.121 COc1cccnc1COCF 34a_100011998681_100015361967 [1,1,0,0,0,0|1,0,1]=4 2444 B12R1.121 COc1ncccc1COCF 34a_100000717863_100015361967 [1,1,0,0,0,0|1,0,1]=4 2445 B12R1.121 CSc1ccccc1COCF 34a_100000699167_100015361967 [1,1,0,0,0,0|0,1,1]=4 2446 B12R1.121 [13CH3]Oc1ccccc1OCCO 34a_100000181789_200025704644 [1,1,0,0,0,0|2,0,0]=4 2447 B12R1.121 [13CH3]Oc1ccccc1OCCO 7a_100000181789_200025704644 [1,1,0,0,0,0|2,0,0]=4 2448 B12R1.169 C/C=C/c1ccccc1OCC 34a_200000189419_100000210202 [1,1,0,0,0,0|1,0,0]=3 2449 B12R1.169 C/C=C/c1ccccc1OCC 7a_200000189419_100000210202 [1,1,0,0,0,0|1,0,0]=3 2450 B12R1.169 C/C=C/c1ccccc1OCF 34a_200000189419_100015361967 [1,1,0,0,0,0|1,0,0]=3 2451 B12R1.169 C/C=C/c1ccccc1OCF 7a_200000189419_100015361967 [1,1,0,0,0,0|1,0,0]=3 2452 B12R1.169 C=C=Cc1ccccc1COC 271570a_100015277604_100011493684 [1,1,0,0,0,0|1,0,1]=4 2453 B12R1.169 C=C=Cc1ccccc1OCC 271570a_100015277604_100000230754 [1,1,0,0,0,0|1,0,1]=4 2454 B12R1.169 CC=Cc1ccccc1CCN 271570a_100016259895_100000747383 [1,1,0,0,0,0|2,0,0]=4 2455 B12R1.169 CC=Cc1ccccc1CCO 271570a_100016259895_100000731337 [1,1,0,0,0,0|2,0,0]=4 2456 B12R1.169 CC=Cc1ccccc1CNC 271570a_100016259895_100000184654 [1,1,0,0,0,0|2,0,0]=4 2457 B12R1.169 CC=Cc1ccccc1COC 271570a_100016259895_100011493684 [1,1,0,0,0,0|1,0,0]=3 2458 B12R1.169 CC=Cc1ccccc1CSC 271570a_100016259895_100000148299 [1,1,0,0,0,0|1,1,0]=4 2459 B12R1.169 CC=Cc1ccccc1NCC 271570a_100016259895_114873767003 [1,1,0,0,0,0|2,0,0]=4 2460 B12R1.169 CC=Cc1ccccc1OCC 271570a_100016259895_100000230754 [1,1,0,0,0,0|1,0,0]=3 2461 B12R1.169 CC=Cc1ccccc1SCC 271570a_100016259895_100000230856 [1,1,0,0,0,0|1,1,0]=4 2462 B12R1.169 CC=Cc1cccnc1OCC 271570a_100016259895_100011465154 [1,1,0,0,0,0|2,0,0]=4 2463 B12R1.169 CC=Cc1ncccc1OCC 271570a_100016259895_100011597540 [1,1,0,0,0,0|2,0,0]=4 2464 B12R1.169 CCCc1ccccc1OCC 34a_100011217252_100000210202 [1,1,0,0,0,0|1,0,1]=4 2465 B12R1.169 CCCc1ccccc1OCC 7a_100011217252_100000210202 [1,1,0,0,0,0|1,0,1]=4 2466 B12R1.169 CCCc1ccccc1OCF 34a_100011217252_100015361967 [1,1,0,0,0,0|1,0,1]=4 2467 B12R1.169 CCCc1ccccc1OCF 7a_100011217252_100015361967 [1,1,0,0,0,0|1,0,1]=4 2468 B12R1.169 CCNc1ccccc1OCC 34a_100000211218_100000210202 [1,1,0,0,0,0|2,0,0]=4 2469 B12R1.169 CCNc1ccccc1OCC 34a_103624766699_100000210202 [1,1,0,0,0,0|2,0,0]=4 2470 B12R1.169 CCNc1ccccc1OCC 7a_103624766699_100000210202 [1,1,0,0,0,0|2,0,0]=4 2471 B12R1.169 CCNc1ccccc1OCF 34a_103624766699_100015361967 [1,1,0,0,0,0|2,0,0]=4 2472 B12R1.169 CCNc1ccccc1OCF 7a_103624766699_100015361967 [1,1,0,0,0,0|2,0,0]=4 2473 B12R1.169 CCOc1ccccc1CNC 207a_100102657272_100000169843 [1,1,0,0,0,0|1,0,1]=4 2474 B12R1.169 CCOc1ccccc1CNC 270004a_106832991635_100000169843 [1,1,0,0,0,0|1,0,1]=4 2475 B12R1.169 CCOc1ccccc1CNC 34a_100015189988_100000210202 [1,1,0,0,0,0|1,0,1]=4 2476 B12R1.169 CCOc1ccccc1COC 34a_100000708577_200000210301 [1,1,0,0,0,0|0,0,1]=3 2477 B12R1.169 CCOc1ccccc1COC 34a_100011488565_100000210202 [1,1,0,0,0,0|0,0,1]=3 2478 B12R1.169 CCOc1ccccc1COC 7a_100000708577_200000210301 [1,1,0,0,0,0|0,0,1]=3 2479 B12R1.169 CCOc1ccccc1COC 7a_100011488565_100000210202 [1,1,0,0,0,0|0,0,1]=3 2480 B12R1.169 CCOc1ccccc1CO[13CH3] 34a_100000708577_200025704644 [1,1,0,0,0,0|0,0,1]=3 2481 B12R1.169 CCOc1ccccc1CO[13CH3] 7a_100000708577_200025704644 [1,1,0,0,0,0|0,0,1]=3 2482 B12R1.169 CCOc1ccccc1OCC 34a_100000211404_100000210202 [1,1,0,0,0,0|2,0,0]=4 2483 B12R1.169 CCOc1ccccc1OCC 7a_100000211404_100000210202 [1,1,0,0,0,0|2,0,0]=4 2484 B12R1.169 CCOc1ccccc1OCF 34a_100000211404_100015361967 [1,1,0,0,0,0|2,0,0]=4 2485 B12R1.169 CCOc1ccccc1OCF 7a_100000211404_100015361967 [1,1,0,0,0,0|2,0,0]=4 2486 B12R1.169 CCOc1ccccc1SCC 62a_100000210202_100000230754 [1,1,0,0,0,0|2,0,0]=4 2487 B12R1.169 CCOc1ccccc1SCC 62a_100000230754_100000210202 [1,1,0,0,0,0|2,0,0]=4 2488 B12R1.169 CCSc1ccccc1COC 62a_100000210202_100011493684 [1,1,0,0,0,0|0,1,1]=4 2489 B12R1.169 CCSc1ccccc1COC 62a_100011493684_100000210202 [1,1,0,0,0,0|0,1,1]=4 2490 B12R1.169 CNCc1ccccc1OCF 34a_100015189988_100015361967 [1,1,0,0,0,0|1,0,1]=4 2491 B12R1.169 COCc1ccccc1OCF 34a_100011488565_100015361967 [1,1,0,0,0,0|0,0,1]=3 2492 B12R1.169 COCc1ccccc1OCF 7a_100011488565_100015361967 [1,1,0,0,0,0|0,0,1]=3 2493 B12R1.169 COCc1ccccc1SCF 62a_100011493684_100015361967 [1,1,0,0,0,0|0,1,1]=4 2494 B12R1.169 COCc1ccccc1SCF 62a_100015361967_100011493684 [1,1,0,0,0,0|0,1,1]=4 2495 B12R1.268 C=C=Cc1cc(ccc1OC)Br 271570a_100015277604_100012351588 [1,1,0,0,0,0|1,0,1]=4 2496 B12R1.268 C=C=Cc1cc(ccc1OC)C 271570a_100015277604_100000186399 [1,1,0,0,0,0|1,0,1]=4 2497 B12R1.268 C=C=Cc1cc(ccc1OC)Cl 271570a_100015277604_100011215930 [1,1,0,0,0,0|1,0,1]=4 2498 B12R1.268 C=C=Cc1cc(ccc1OC)F 271570a_100015277604_100000171694 [1,1,0,0,0,0|1,0,1]=4 2499 B12R1.268 C=C=Cc1cc(ccc1OC)N 271570a_100015277604_100000187427 [1,1,0,0,0,0|1,0,1]=4 2500 B12R1.268 C=C=Cc1cc(ccc1OC)O 271570a_100015277604_100010084122 [1,1,0,0,0,0|1,0,1]=4 2501 B12R1.268 CC=Cc1cc(=O)[nH]cc1OC 271570a_100016259895_100121573661 [1,1,0,0,0,0|2,0,0]=4 2502 B12R1.268 CC=Cc1cc(ccc1NC)C 271570a_100016259895_100000221369 [1,1,0,0,0,0|2,0,0]=4 2503 B12R1.268 CC=Cc1cc(ccc1NC)F 271570a_100016259895_100011246292 [1,1,0,0,0,0|2,0,0]=4 2504 B12R1.268 CC=Cc1cc(ccc1OC)Br 271570a_100016259895_100012351588 [1,1,0,0,0,0|1,0,0]=3 2505 B12R1.268 CC=Cc1cc(ccc1OC)C 271570a_100016259895_100000186399 [1,1,0,0,0,0|1,0,0]=3 2506 B12R1.268 CC=Cc1cc(ccc1OC)Cl 271570a_100016259895_100011215930 [1,1,0,0,0,0|1,0,0]=3 2507 B12R1.268 CC=Cc1cc(ccc1OC)F 271570a_100016259895_100000171694 [1,1,0,0,0,0|1,0,0]=3 2508 B12R1.268 CC=Cc1cc(ccc1OC)N 271570a_100016259895_100000187427 [1,1,0,0,0,0|1,0,0]=3 2509 B12R1.268 CC=Cc1cc(ccc1OC)O 271570a_100016259895_100010084122 [1,1,0,0,0,0|1,0,0]=3 2510 B12R1.268 CC=Cc1cc(ccc1SC)C 271570a_100016259895_200010201864 [1,1,0,0,0,0|1,1,0]=4 2511 B12R1.268 CC=Cc1cc(ccc1SC)F 271570a_100016259895_100009817003 [1,1,0,0,0,0|1,1,0]=4 2512 B12R1.268 CC=Cc1cc(cnc1OC)Br 271570a_100016259895_100009814608 [1,1,0,0,0,0|2,0,0]=4 2513 B12R1.268 CC=Cc1cc(cnc1OC)C 271570a_100016259895_100012353929 [1,1,0,0,0,0|2,0,0]=4 2514 B12R1.268 CC=Cc1cc(cnc1OC)F 271570a_100016259895_100009828472 [1,1,0,0,0,0|2,0,0]=4 2515 B12R1.268 CC=Cc1cc(cnc1OC)N 271570a_100016259895_100012351452 [1,1,0,0,0,0|2,0,0]=4 2516 B12R1.268 CC=Cc1cc(ncc1OC)C 271570a_100016259895_100010109759 [1,1,0,0,0,0|2,0,0]=4 2517 B12R1.268 CC=Cc1nc(ccc1OC)C 271570a_100016259895_100009820875 [1,1,0,0,0,0|2,0,0]=4 2518 B12R1.268 CC=Cc1nc(ccc1OC)N 271570a_100016259895_100010172607 [1,1,0,0,0,0|2,0,0]=4 2519 B12R1.268 CCNc1cc(ccc1OC)Br 34a_100000743470_100000210202 [1,1,0,0,0,0|2,0,0]=4 2520 B12R1.268 CCNc1cc(ccc1OC)C 2230a_100000210980_100000210202 [1,1,0,0,0,0|2,0,0]=4 2521 B12R1.268 CCNc1cc(ccc1OC)C 34a_100000210980_100000210202 [1,1,0,0,0,0|2,0,0]=4 2522 B12R1.268 CCNc1cc(ccc1OC)Cl 34a_100000182114_100000210202 [1,1,0,0,0,0|2,0,0]=4 2523 B12R1.268 CCNc1cc(ccc1OC)F 34a_100000757179_100000210202 [1,1,0,0,0,0|2,0,0]=4 2524 B12R1.268 CCOc1cc(ccc1OC)Br 34a_100009816560_100000210202 [1,1,0,0,0,0|2,0,0]=4 2525 B12R1.268 CCOc1cc(ccc1OC)Br 7a_100009816560_100000210202 [1,1,0,0,0,0|2,0,0]=4 2526 B12R1.268 CCOc1cc(ccc1OC)C 34a_100011216497_100000210202 [1,1,0,0,0,0|2,0,0]=4 2527 B12R1.268 CCOc1cc(ccc1OC)C 34a_200000034294_200000210301 [1,1,0,0,0,0|2,0,0]=4 2528 B12R1.268 CCOc1cc(ccc1OC)C 7a_100011216497_100000210202 [1,1,0,0,0,0|2,0,0]=4 2529 B12R1.268 CCOc1cc(ccc1OC)C 7a_200000034294_200000210301 [1,1,0,0,0,0|2,0,0]=4 2530 B12R1.268 CCOc1cc(ccc1OC)Cl 34a_100000101779_100000210202 [1,1,0,0,0,0|2,0,0]=4 2531 B12R1.268 CCOc1cc(ccc1OC)Cl 7a_100000101779_100000210202 [1,1,0,0,0,0|2,0,0]=4 2532 B12R1.268 CCOc1cc(ccc1OC)F 34a_100000034962_100000210202 [1,1,0,0,0,0|2,0,0]=4 2533 B12R1.268 CCOc1cc(ccc1OC)F 7a_100000034962_100000210202 [1,1,0,0,0,0|2,0,0]=4 2534 B12R1.268 CCOc1cc(ccc1OC)N 34a_100000211920_100000210202 [1,1,0,0,0,0|2,0,0]=4 2535 B12R1.268 CCOc1cc(ccc1OC)O 271570a_203496583355_200010219349 [1,1,0,0,0,0|2,0,0]=4 2536 B12R1.268 CCOc1cc(ccc1O[13CH3])C 34a_200000034294_200025704644 [1,1,0,0,0,0|2,0,0]=4 2537 B12R1.268 CCOc1cc(ccc1O[13CH3])C 7a_200000034294_200025704644 [1,1,0,0,0,0|2,0,0]=4 2538 B12R1.268 CCSc1cc(ccc1OC)Br 62a_100000210202_100012351588 [1,1,0,0,0,0|2,0,0]=4 2539 B12R1.268 CCSc1cc(ccc1OC)Br 62a_100012351588_100000210202 [1,1,0,0,0,0|2,0,0]=4 2540 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000186399_100000210202 [1,1,0,0,0,0|2,0,0]=4 2541 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000210202_100000186399 [1,1,0,0,0,0|2,0,0]=4 2542 B12R1.268 CCSc1cc(ccc1OC)Cl 62a_100000210202_100011215930 [1,1,0,0,0,0|2,0,0]=4 2543 B12R1.268 CCSc1cc(ccc1OC)Cl 62a_100011215930_100000210202 [1,1,0,0,0,0|2,0,0]=4 2544 B12R1.268 CCSc1cc(ccc1OC)F 62a_100000171694_100000210202 [1,1,0,0,0,0|2,0,0]=4 2545 B12R1.268 CCSc1cc(ccc1OC)F 62a_100000210202_100000171694 [1,1,0,0,0,0|2,0,0]=4 2546 B12R1.268 CCSc1cc(ccc1OC)N 62a_100000210202_100011356947 [1,1,0,0,0,0|2,0,0]=4 2547 B12R1.268 CCSc1cc(ccc1OC)N 62a_100011356947_100000210202 [1,1,0,0,0,0|2,0,0]=4 2548 B12R1.268 CCSc1cc(ccc1OC)O 62a_100000210202_100010234764 [1,1,0,0,0,0|2,0,0]=4 2549 B12R1.268 CCSc1cc(ccc1OC)O 62a_100010234764_100000210202 [1,1,0,0,0,0|2,0,0]=4 2550 B12R1.268 CCc1ccc(cc1COC)Br 34a_100010766240_200000210301 [1,1,0,0,0,0|1,0,1]=4 2551 B12R1.268 CCc1ccc(cc1COC)Br 7a_100010766240_200000210301 [1,1,0,0,0,0|1,0,1]=4 2552 B12R1.268 CCc1ccc(cc1CO[13CH3])Br 34a_100010766240_200025704644 [1,1,0,0,0,0|1,0,1]=4 2553 B12R1.268 CCc1ccc(cc1CO[13CH3])Br 7a_100010766240_200025704644 [1,1,0,0,0,0|1,0,1]=4 2554 B12R1.268 CNCc1cc(ccc1OC)Br 207a_100102657272_100000170026 [1,1,0,0,0,0|1,0,1]=4 2555 B12R1.268 CNCc1cc(ccc1OC)Br 2230a_106832991635_100000204665 [1,1,0,0,0,0|1,0,1]=4 2556 B12R1.268 CNCc1cc(ccc1OC)Br 26a_100102657272_100009816560 [1,1,0,0,0,0|1,0,1]=4 2557 B12R1.268 CNCc1cc(ccc1OC)Br 270004a_106832991635_100000170026 [1,1,0,0,0,0|1,0,1]=4 2558 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100000690498_200000210301 [1,1,0,0,0,0|1,0,1]=4 2559 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100011602694_200000210301 [1,1,0,0,0,0|1,0,1]=4 2560 B12R1.268 CNCc1cc(ccc1OC)Br 34a_100102657272_100000204665 [1,1,0,0,0,0|1,0,1]=4 2561 B12R1.268 CNCc1cc(ccc1OC)Br 7a_106832991635_100000204665 [1,1,0,0,0,0|1,0,1]=4 2562 B12R1.268 CNCc1cc(ccc1OC)C 207a_100102657272_100000203738 [1,1,0,0,0,0|1,0,1]=4 2563 B12R1.268 CNCc1cc(ccc1OC)C 2230a_106832991635_100000199068 [1,1,0,0,0,0|1,0,1]=4 2564 B12R1.268 CNCc1cc(ccc1OC)C 270004a_106832991635_100000203738 [1,1,0,0,0,0|1,0,1]=4 2565 B12R1.268 CNCc1cc(ccc1OC)C 34a_100102657272_100000199068 [1,1,0,0,0,0|1,0,1]=4 2566 B12R1.268 CNCc1cc(ccc1OC)C 7a_106832991635_100000199068 [1,1,0,0,0,0|1,0,1]=4 2567 B12R1.268 CNCc1cc(ccc1OC)Cl 207a_100102657272_100000188328 [1,1,0,0,0,0|1,0,1]=4 2568 B12R1.268 CNCc1cc(ccc1OC)Cl 2230a_100000740580_200000210301 [1,1,0,0,0,0|1,0,1]=4 2569 B12R1.268 CNCc1cc(ccc1OC)Cl 2230a_106832991635_100000209806 [1,1,0,0,0,0|1,0,1]=4 2570 B12R1.268 CNCc1cc(ccc1OC)Cl 270004a_106832991635_100000188328 [1,1,0,0,0,0|1,0,1]=4 2571 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100000712467_200000210301 [1,1,0,0,0,0|1,0,1]=4 2572 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100000740580_200000210301 [1,1,0,0,0,0|1,0,1]=4 2573 B12R1.268 CNCc1cc(ccc1OC)Cl 34a_100102657272_100000209806 [1,1,0,0,0,0|1,0,1]=4 2574 B12R1.268 CNCc1cc(ccc1OC)Cl 7a_106832991635_100000209806 [1,1,0,0,0,0|1,0,1]=4 2575 B12R1.268 CNCc1cc(ccc1OC)F 207a_100102657272_100000722865 [1,1,0,0,0,0|1,0,1]=4 2576 B12R1.268 CNCc1cc(ccc1OC)F 2230a_106832991635_100011830354 [1,1,0,0,0,0|1,0,1]=4 2577 B12R1.268 CNCc1cc(ccc1OC)F 270004a_106832991635_100000722865 [1,1,0,0,0,0|1,0,1]=4 2578 B12R1.268 CNCc1cc(ccc1OC)F 34a_100011199032_200000210301 [1,1,0,0,0,0|1,0,1]=4 2579 B12R1.268 CNCc1cc(ccc1OC)F 34a_100102657272_100011830354 [1,1,0,0,0,0|1,0,1]=4 2580 B12R1.268 CNCc1cc(ccc1OC)F 34a_114855342409_200000210301 [1,1,0,0,0,0|1,0,1]=4 2581 B12R1.268 CNCc1cc(ccc1OC)F 7a_106832991635_100011830354 [1,1,0,0,0,0|1,0,1]=4 2582 B12R1.268 CNCc1cc(ccc1OC)I 207a_100102657272_100011266407 [1,1,0,0,0,0|1,0,1]=4 2583 B12R1.268 CNCc1cc(ccc1OC)I 270004a_106832991635_100011266407 [1,1,0,0,0,0|1,0,1]=4 2584 B12R1.268 CNCc1cc(ccc1OC)O 207a_100102657272_100000067581 [1,1,0,0,0,0|1,0,1]=4 2585 B12R1.268 CNCc1cc(ccc1OC)O 271570a_203496583355_100000690607 [1,1,0,0,0,0|1,0,1]=4 2586 B12R1.268 CNCc1cc(ccc1O[13CH3])Br 34a_100011602694_200025704644 [1,1,0,0,0,0|1,0,1]=4 2587 B12R1.268 CNCc1cc(ccc1O[13CH3])Cl 34a_100000712467_200025704644 [1,1,0,0,0,0|1,0,1]=4 2588 B12R1.268 CNCc1cc(ccc1O[13CH3])F 34a_114855342409_200025704644 [1,1,0,0,0,0|1,0,1]=4 2589 B12R1.268 COCc1cc(ccc1OC)Br 34a_100000204679_200000210301 [1,1,0,0,0,0|0,0,1]=3 2590 B12R1.268 COCc1cc(ccc1OC)Br 34a_100138415774_100000204665 [1,1,0,0,0,0|0,0,1]=3 2591 B12R1.268 COCc1cc(ccc1OC)Br 7a_100000204679_200000210301 [1,1,0,0,0,0|0,0,1]=3 2592 B12R1.268 COCc1cc(ccc1OC)C 34a_100138415774_100000199068 [1,1,0,0,0,0|0,0,1]=3 2593 B12R1.268 COCc1cc(ccc1OC)C 34a_200000246444_200000210301 [1,1,0,0,0,0|0,0,1]=3 2594 B12R1.268 COCc1cc(ccc1OC)C 7a_200000246444_200000210301 [1,1,0,0,0,0|0,0,1]=3 2595 B12R1.268 COCc1cc(ccc1OC)Cl 34a_100138415774_100000209806 [1,1,0,0,0,0|0,0,1]=3 2596 B12R1.268 COCc1cc(ccc1OC)F 34a_100011266440_200000210301 [1,1,0,0,0,0|0,0,1]=3 2597 B12R1.268 COCc1cc(ccc1OC)F 34a_100135391359_200000210301 [1,1,0,0,0,0|0,0,1]=3 2598 B12R1.268 COCc1cc(ccc1OC)F 34a_100138415774_100011830354 [1,1,0,0,0,0|0,0,1]=3 2599 B12R1.268 COCc1cc(ccc1OC)F 7a_100011266440_200000210301 [1,1,0,0,0,0|0,0,1]=3 2600 B12R1.268 COCc1cc(ccc1OC)F 7a_100135391359_200000210301 [1,1,0,0,0,0|0,0,1]=3 2601 B12R1.268 COCc1cc(ccc1OC)I 34a_200137411115_200000210301 [1,1,0,0,0,0|0,0,1]=3 2602 B12R1.268 COCc1cc(ccc1OC)I 7a_200137411115_200000210301 [1,1,0,0,0,0|0,0,1]=3 2603 B12R1.268 COCc1cc(ccc1OC)O 271570a_203496583355_200011493686 [1,1,0,0,0,0|0,0,1]=3 2604 B12R1.268 COCc1cc(ccc1O[13CH3])F 34a_100135391359_200025704644 [1,1,0,0,0,0|0,0,1]=3 2605 B12R1.268 COCc1cc(ccc1O[13CH3])F 7a_100135391359_200025704644 [1,1,0,0,0,0|0,0,1]=3 2606 B12R1.268 COCc1cc(cnc1OC)Br 34a_100000695684_200000210301 [1,1,0,0,0,0|1,0,1]=4 2607 B12R1.268 COCc1cc(cnc1OC)Br 34a_100138415774_100010065838 [1,1,0,0,0,0|1,0,1]=4 2608 B12R1.268 COCc1cc(cnc1OC)F 34a_100011997213_200000210301 [1,1,0,0,0,0|1,0,1]=4 2609 B12R1.268 COc1ccc(cc1CN[13CH3])Br 34a_100000690498_200025704644 [1,1,0,0,0,0|1,0,1]=4 2610 B12R1.268 COc1ccc(cc1CN[13CH3])Cl 2230a_100000740580_200025704644 [1,1,0,0,0,0|1,0,1]=4 2611 B12R1.268 COc1ccc(cc1CN[13CH3])Cl 34a_100000740580_200025704644 [1,1,0,0,0,0|1,0,1]=4 2612 B12R1.268 COc1ccc(cc1CN[13CH3])F 34a_100011199032_200025704644 [1,1,0,0,0,0|1,0,1]=4 2613 B12R1.268 COc1ccc(cc1CO[13CH3])Br 34a_100000204679_200025704644 [1,1,0,0,0,0|0,0,1]=3 2614 B12R1.268 COc1ccc(cc1CO[13CH3])Br 7a_100000204679_200025704644 [1,1,0,0,0,0|0,0,1]=3 2615 B12R1.268 COc1ccc(cc1CO[13CH3])C 34a_200000246444_200025704644 [1,1,0,0,0,0|0,0,1]=3 2616 B12R1.268 COc1ccc(cc1CO[13CH3])C 7a_200000246444_200025704644 [1,1,0,0,0,0|0,0,1]=3 2617 B12R1.268 COc1ccc(cc1CO[13CH3])F 34a_100011266440_200025704644 [1,1,0,0,0,0|0,0,1]=3 2618 B12R1.268 COc1ccc(cc1CO[13CH3])F 7a_100011266440_200025704644 [1,1,0,0,0,0|0,0,1]=3 2619 B12R1.268 COc1ccc(cc1CO[13CH3])I 34a_200137411115_200025704644 [1,1,0,0,0,0|0,0,1]=3 2620 B12R1.268 COc1ccc(cc1CO[13CH3])I 7a_200137411115_200025704644 [1,1,0,0,0,0|0,0,1]=3 2621 B12R1.268 COc1ccc(cc1CSC)Br 62a_100000204665_200000210301 [1,1,0,0,0,0|0,1,1]=4 2622 B12R1.268 COc1ccc(cc1CSC)Br 62a_200000210301_100000204665 [1,1,0,0,0,0|0,1,1]=4 2623 B12R1.268 COc1ccc(cc1CSC)C 62a_100000199068_200000210301 [1,1,0,0,0,0|0,1,1]=4 2624 B12R1.268 COc1ccc(cc1CSC)C 62a_200000210301_100000199068 [1,1,0,0,0,0|0,1,1]=4 2625 B12R1.268 COc1ccc(cc1CSC)Cl 62a_100000209806_200000210301 [1,1,0,0,0,0|0,1,1]=4 2626 B12R1.268 COc1ccc(cc1CSC)Cl 62a_200000210301_100000209806 [1,1,0,0,0,0|0,1,1]=4 2627 B12R1.268 COc1ccc(cc1CSC)F 62a_100011830354_200000210301 [1,1,0,0,0,0|0,1,1]=4 2628 B12R1.268 COc1ccc(cc1CSC)F 62a_200000210301_100011830354 [1,1,0,0,0,0|0,1,1]=4 2629 B12R1.268 COc1ccc(cc1CS[13CH3])Br 62a_100000204665_200025704644 [1,1,0,0,0,0|0,1,1]=4 2630 B12R1.268 COc1ccc(cc1CS[13CH3])Br 62a_200025704644_100000204665 [1,1,0,0,0,0|0,1,1]=4 2631 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_100000199068_200025704644 [1,1,0,0,0,0|0,1,1]=4 2632 B12R1.268 COc1ccc(cc1CS[13CH3])C 62a_200025704644_100000199068 [1,1,0,0,0,0|0,1,1]=4 2633 B12R1.268 COc1ccc(cc1CS[13CH3])Cl 62a_100000209806_200025704644 [1,1,0,0,0,0|0,1,1]=4 2634 B12R1.268 COc1ccc(cc1CS[13CH3])Cl 62a_200025704644_100000209806 [1,1,0,0,0,0|0,1,1]=4 2635 B12R1.268 COc1ccc(cc1CS[13CH3])F 62a_100011830354_200025704644 [1,1,0,0,0,0|0,1,1]=4 2636 B12R1.268 COc1ccc(cc1CS[13CH3])F 62a_200025704644_100011830354 [1,1,0,0,0,0|0,1,1]=4 2637 B12R1.268 COc1ncc(cc1CO[13CH3])Br 34a_100000695684_200025704644 [1,1,0,0,0,0|1,0,1]=4 2638 B12R1.268 COc1ncc(cc1CO[13CH3])F 34a_100011997213_200025704644 [1,1,0,0,0,0|1,0,1]=4 2639 B12R1.283 C=C(C)c1ccccc1COC 271570a_100000694244_100011493684 [1,1,0,0,0,0|1,0,1]=4 2640 B12R1.283 CC=Cc1ccccc1C(=O)C 271570a_100016259895_100000751169 [1,1,0,0,0,0|2,0,0]=4 2641 B12R1.283 CC=Cc1ccccc1C(C)C 271570a_100016259895_100011218076 [1,1,0,0,0,0|2,0,0]=4 2642 B12R1.283 CC=Cc1ccccc1C(C)N 271570a_100016259895_100000181357 [1,1,0,0,0,0|2,0,0]=4 2643 B12R1.283 CC=Cc1ccccc1C(C)O 271570a_100016259895_100000702211 [1,1,0,0,0,0|2,0,0]=4 2644 B12R1.283 CC=Cc1ccccc1N(C)C 271570a_100016259895_100011290883 [1,1,0,0,0,0|2,0,0]=4 2645 B12R1.283 CC=Cc1ccccc1S(=O)C 271570a_100016259895_100000734199 [1,1,0,0,0,0|1,1,0]=4 2646 B12R1.283 COCc1ccccc1C(=O)C 1458a_100000737999_200000210301 [1,1,0,0,0,0|1,0,1]=4 2647 B12R1.283 COCc1ccccc1C(=O)[13CH3] 1458a_100000737999_200025704644 [1,1,0,0,0,0|1,0,1]=4 2648 B12R1.542 C=C=Cc1cccc(c1OC)Br 271570a_100015277604_100010146560 [1,1,0,0,0,0|1,0,1]=4 2649 B12R1.542 C=C=Cc1cccc(c1OC)C 271570a_100015277604_100010141385 [1,1,0,0,0,0|1,0,1]=4 2650 B12R1.542 C=C=Cc1cccc(c1OC)Cl 271570a_100015277604_100010147678 [1,1,0,0,0,0|1,0,1]=4 2651 B12R1.542 C=C=Cc1cccc(c1OC)F 271570a_100015277604_100009816759 [1,1,0,0,0,0|1,0,1]=4 2652 B12R1.542 C=C=Cc1cccc(c1OC)N 271570a_100015277604_100011935253 [1,1,0,0,0,0|1,0,1]=4 2653 B12R1.542 C=C=Cc1cccc(c1OC)O 271570a_100015277604_100010234590 [1,1,0,0,0,0|1,0,1]=4 2654 B12R1.542 CC=Cc1cccc(c1NC)N 271570a_100016259895_100010510394 [1,1,0,0,0,0|2,0,0]=4 2655 B12R1.542 CC=Cc1cccc(c1OC)Br 271570a_100016259895_100010146560 [1,1,0,0,0,0|1,0,0]=3 2656 B12R1.542 CC=Cc1cccc(c1OC)C 271570a_100016259895_100010141385 [1,1,0,0,0,0|1,0,0]=3 2657 B12R1.542 CC=Cc1cccc(c1OC)Cl 271570a_100016259895_100010147678 [1,1,0,0,0,0|1,0,0]=3 2658 B12R1.542 CC=Cc1cccc(c1OC)F 271570a_100016259895_100009816759 [1,1,0,0,0,0|1,0,0]=3 2659 B12R1.542 CC=Cc1cccc(c1OC)N 271570a_100016259895_100011935253 [1,1,0,0,0,0|1,0,0]=3 2660 B12R1.542 CC=Cc1cccc(c1OC)O 271570a_100016259895_100010234590 [1,1,0,0,0,0|1,0,0]=3 2661 B12R1.542 CC=Cc1cccc(c1SC)F 271570a_100016259895_200010709249 [1,1,0,0,0,0|1,1,0]=4 2662 B12R1.542 CC=Cc1ccnc(c1OC)C 271570a_100016259895_100000685116 [1,1,0,0,0,0|2,0,0]=4 2663 B12R1.542 CC=Cc1ccnc(c1OC)Cl 271570a_100016259895_100010068014 [1,1,0,0,0,0|2,0,0]=4 2664 B12R1.542 CC=Cc1ccnc(c1OC)N 271570a_100016259895_100009880012 [1,1,0,0,0,0|2,0,0]=4 2665 B12R1.542 CC=Cc1cncc(c1OC)N 271570a_100016259895_100012359933 [1,1,0,0,0,0|2,0,0]=4 2666 B12R1.542 CC=Cc1nccc(c1OC)N 271570a_100016259895_100000104429 [1,1,0,0,0,0|2,0,0]=4 2667 B12R1.542 CC=Cc1nccc(c1OC)O 271570a_100016259895_100000104430 [1,1,0,0,0,0|2,0,0]=4 2668 B12R1.542 CCNc1cccc(c1OC)Br 34a_100011935253_100000210202 [1,1,0,0,0,0|2,0,0]=4 2669 B12R1.542 CCNc1cccc(c1OC)C 34a_100012017360_100000210202 [1,1,0,0,0,0|2,0,0]=4 2670 B12R1.542 CCNc1cccc(c1OC)Cl 2230a_100000743799_100000210202 [1,1,0,0,0,0|2,0,0]=4 2671 B12R1.542 CCNc1cccc(c1OC)Cl 34a_100000743799_100000210202 [1,1,0,0,0,0|2,0,0]=4 2672 B12R1.542 CCNc1cccc(c1OC)F 34a_100011215007_100000210202 [1,1,0,0,0,0|2,0,0]=4 2673 B12R1.542 CCOc1cccc(c1OC)Br 34a_100010234590_100000210202 [1,1,0,0,0,0|2,0,0]=4 2674 B12R1.542 CCOc1cccc(c1OC)Cl 34a_200009886253_100000210202 [1,1,0,0,0,0|2,0,0]=4 2675 B12R1.542 CCOc1cccc(c1OC)Cl 7a_200009886253_100000210202 [1,1,0,0,0,0|2,0,0]=4 2676 B12R1.542 CCSc1cccc(c1OC)Br 62a_100000210202_100010146560 [1,1,0,0,0,0|2,0,0]=4 2677 B12R1.542 CCSc1cccc(c1OC)Br 62a_100010146560_100000210202 [1,1,0,0,0,0|2,0,0]=4 2678 B12R1.542 CCSc1cccc(c1OC)C 62a_100000210202_100010141385 [1,1,0,0,0,0|2,0,0]=4 2679 B12R1.542 CCSc1cccc(c1OC)C 62a_100010141385_100000210202 [1,1,0,0,0,0|2,0,0]=4 2680 B12R1.542 CCSc1cccc(c1OC)Cl 62a_100000210202_100010147678 [1,1,0,0,0,0|2,0,0]=4 2681 B12R1.542 CCSc1cccc(c1OC)Cl 62a_100010147678_100000210202 [1,1,0,0,0,0|2,0,0]=4 2682 B12R1.542 CCSc1cccc(c1OC)F 62a_100000210202_100009816759 [1,1,0,0,0,0|2,0,0]=4 2683 B12R1.542 CCSc1cccc(c1OC)F 62a_100009816759_100000210202 [1,1,0,0,0,0|2,0,0]=4 2684 B12R1.542 CCSc1cccc(c1OC)N 62a_100011935253_100000210202 [1,1,0,0,0,0|2,0,0]=4 2685 B12R1.542 CCSc1cccc(c1OC)O 62a_100000210202_100010234590 [1,1,0,0,0,0|2,0,0]=4 2686 B12R1.542 CNCc1cccc(c1OC)Br 207a_100102657272_100000692592 [1,1,0,0,0,0|1,0,1]=4 2687 B12R1.542 CNCc1cccc(c1OC)Br 2230a_106832991635_100011470457 [1,1,0,0,0,0|1,0,1]=4 2688 B12R1.542 CNCc1cccc(c1OC)Br 26a_100102657272_100010234590 [1,1,0,0,0,0|1,0,1]=4 2689 B12R1.542 CNCc1cccc(c1OC)Br 270004a_106832991635_100000692592 [1,1,0,0,0,0|1,0,1]=4 2690 B12R1.542 CNCc1cccc(c1OC)Br 34a_100102657272_100011470457 [1,1,0,0,0,0|1,0,1]=4 2691 B12R1.542 CNCc1cccc(c1OC)Br 7a_106832991635_100011470457 [1,1,0,0,0,0|1,0,1]=4 2692 B12R1.542 CNCc1cccc(c1OC)C 207a_100102657272_100011361485 [1,1,0,0,0,0|1,0,1]=4 2693 B12R1.542 CNCc1cccc(c1OC)C 2230a_106832991635_100012349798 [1,1,0,0,0,0|1,0,1]=4 2694 B12R1.542 CNCc1cccc(c1OC)C 270004a_106832991635_100011361485 [1,1,0,0,0,0|1,0,1]=4 2695 B12R1.542 CNCc1cccc(c1OC)C 34a_100102657272_100012349798 [1,1,0,0,0,0|1,0,1]=4 2696 B12R1.542 CNCc1cccc(c1OC)C 7a_106832991635_100012349798 [1,1,0,0,0,0|1,0,1]=4 2697 B12R1.542 CNCc1cccc(c1OC)Cl 207a_100102657272_100011466644 [1,1,0,0,0,0|1,0,1]=4 2698 B12R1.542 CNCc1cccc(c1OC)Cl 26a_100102657272_200009886253 [1,1,0,0,0,0|1,0,1]=4 2699 B12R1.542 CNCc1cccc(c1OC)Cl 270004a_106832991635_100011466644 [1,1,0,0,0,0|1,0,1]=4 2700 B12R1.542 CNCc1cccc(c1OC)F 207a_100102657272_100011830294 [1,1,0,0,0,0|1,0,1]=4 2701 B12R1.542 CNCc1cccc(c1OC)F 270004a_106832991635_100011830294 [1,1,0,0,0,0|1,0,1]=4 2702 B12R1.542 CNCc1cccc(c1OC)F 34a_100137345168_200000210301 [1,1,0,0,0,0|1,0,1]=4 2703 B12R1.542 COCc1cccc(c1OC)Br 34a_100000704359_200000210301 [1,1,0,0,0,0|0,0,1]=3 2704 B12R1.542 COCc1cccc(c1OC)Br 34a_100138415774_100011470457 [1,1,0,0,0,0|0,0,1]=3 2705 B12R1.542 COCc1cccc(c1OC)Br 7a_100000704359_200000210301 [1,1,0,0,0,0|0,0,1]=3 2706 B12R1.542 COCc1cccc(c1OC)C 34a_100012184769_200000210301 [1,1,0,0,0,0|0,0,1]=3 2707 B12R1.542 COCc1cccc(c1OC)C 34a_100138415774_100012349798 [1,1,0,0,0,0|0,0,1]=3 2708 B12R1.542 COCc1cccc(c1OC)C 7a_100012184769_200000210301 [1,1,0,0,0,0|0,0,1]=3 2709 B12R1.542 COCc1cccc(c1OC)F 34a_100011830279_200000210301 [1,1,0,0,0,0|0,0,1]=3 2710 B12R1.542 COCc1cccc(c1OC)F 7a_100011830279_200000210301 [1,1,0,0,0,0|0,0,1]=3 2711 B12R1.542 COCc1nccc(c1OC)Cl 34a_100009869429_200000210301 [1,1,0,0,0,0|1,0,1]=4 2712 B12R1.542 COCc1nccc(c1OC)Cl 34a_100138415774_100015371371 [1,1,0,0,0,0|1,0,1]=4 2713 B12R1.542 COc1c(cccc1CN[13CH3])F 34a_100137345168_200025704644 [1,1,0,0,0,0|1,0,1]=4 2714 B12R1.542 COc1c(cccc1CO[13CH3])Br 34a_100000704359_200025704644 [1,1,0,0,0,0|0,0,1]=3 2715 B12R1.542 COc1c(cccc1CO[13CH3])Br 7a_100000704359_200025704644 [1,1,0,0,0,0|0,0,1]=3 2716 B12R1.542 COc1c(cccc1CO[13CH3])C 34a_100012184769_200025704644 [1,1,0,0,0,0|0,0,1]=3 2717 B12R1.542 COc1c(cccc1CO[13CH3])C 7a_100012184769_200025704644 [1,1,0,0,0,0|0,0,1]=3 2718 B12R1.542 COc1c(cccc1CO[13CH3])F 34a_100011830279_200025704644 [1,1,0,0,0,0|0,0,1]=3 2719 B12R1.542 COc1c(cccc1CO[13CH3])F 7a_100011830279_200025704644 [1,1,0,0,0,0|0,0,1]=3 2720 B12R1.542 COc1c(cccc1CSC)Br 62a_100011470457_200000210301 [1,1,0,0,0,0|0,1,1]=4 2721 B12R1.542 COc1c(cccc1CSC)Br 62a_200000210301_100011470457 [1,1,0,0,0,0|0,1,1]=4 2722 B12R1.542 COc1c(cccc1CSC)C 62a_100012349798_200000210301 [1,1,0,0,0,0|0,1,1]=4 2723 B12R1.542 COc1c(cccc1CSC)C 62a_200000210301_100012349798 [1,1,0,0,0,0|0,1,1]=4 2724 B12R1.542 COc1c(cccc1CS[13CH3])Br 62a_100011470457_200025704644 [1,1,0,0,0,0|0,1,1]=4 2725 B12R1.542 COc1c(cccc1CS[13CH3])Br 62a_200025704644_100011470457 [1,1,0,0,0,0|0,1,1]=4 2726 B12R1.542 COc1c(cccc1CS[13CH3])C 62a_100012349798_200025704644 [1,1,0,0,0,0|0,1,1]=4 2727 B12R1.542 COc1c(cccc1CS[13CH3])C 62a_200025704644_100012349798 [1,1,0,0,0,0|0,1,1]=4 2728 B12R1.542 COc1c(ccnc1CO[13CH3])Cl 34a_100009869429_200025704644 [1,1,0,0,0,0|1,0,1]=4 2729 B12R1.1112 C=C=Cc1c(cccc1OC)Br 271570a_100015277604_100010131421 [1,1,0,0,0,0|1,0,1]=4 2730 B12R1.1112 C=C=Cc1c(cccc1OC)F 271570a_100015277604_100000041735 [1,1,0,0,0,0|1,0,1]=4 2731 B12R1.1112 C=C=Cc1c(cccc1OC)N 271570a_100015277604_100000703447 [1,1,0,0,0,0|1,0,1]=4 2732 B12R1.1112 C=C=Cc1c(cccc1OC)O 271570a_100015277604_100010202623 [1,1,0,0,0,0|1,0,1]=4 2733 B12R1.1112 CC=Cc1c(cccc1CC)C 271570a_100016259895_100000036235 [1,1,0,0,0,0|2,0,0]=4 2734 B12R1.1112 CC=Cc1c(cccc1OC)Br 271570a_100016259895_100010131421 [1,1,0,0,0,0|1,0,0]=3 2735 B12R1.1112 CC=Cc1c(cccc1OC)F 271570a_100016259895_100000041735 [1,1,0,0,0,0|1,0,0]=3 2736 B12R1.1112 CC=Cc1c(cccc1OC)N 271570a_100016259895_100000703447 [1,1,0,0,0,0|1,0,0]=3 2737 B12R1.1112 CC=Cc1c(cccc1OC)O 271570a_100016259895_100010202623 [1,1,0,0,0,0|1,0,0]=3 2738 B12R1.1112 CC=Cc1c(ccnc1OC)C 271570a_100016259895_100012353928 [1,1,0,0,0,0|2,0,0]=4 2739 B12R1.1112 CC=Cc1c(ccnc1OC)N 271570a_100016259895_100010243811 [1,1,0,0,0,0|2,0,0]=4 2740 B12R1.1112 CCNc1c(cccc1OC)Br 34a_100000708083_100000210202 [1,1,0,0,0,0|2,0,0]=4 2741 B12R1.1112 CCNc1c(cccc1OC)C 2230a_100000758225_100000210202 [1,1,0,0,0,0|2,0,0]=4 2742 B12R1.1112 CCNc1c(cccc1OC)C 34a_100000758225_100000210202 [1,1,0,0,0,0|2,0,0]=4 2743 B12R1.1112 CCNc1c(cccc1OC)Cl 34a_100011309317_100000210202 [1,1,0,0,0,0|2,0,0]=4 2744 B12R1.1112 CCNc1c(cccc1OC)F 34a_100000686744_100000210202 [1,1,0,0,0,0|2,0,0]=4 2745 B12R1.1112 CCNc1c(cccc1OC)O 34a_100012022766_100000210202 [1,1,0,0,0,0|2,0,0]=4 2746 B12R1.1112 CCOc1c(cccc1OC)Br 34a_100000686866_100000210202 [1,1,0,0,0,0|2,0,0]=4 2747 B12R1.1112 CCOc1c(cccc1OC)C 34a_100011219253_100000210202 [1,1,0,0,0,0|2,0,0]=4 2748 B12R1.1112 CCOc1c(cccc1OC)C 7a_100011219253_100000210202 [1,1,0,0,0,0|2,0,0]=4 2749 B12R1.1112 CCOc1c(cccc1OC)Cl 34a_100009851661_100000210202 [1,1,0,0,0,0|2,0,0]=4 2750 B12R1.1112 CCOc1c(cccc1OC)Cl 7a_100009851661_100000210202 [1,1,0,0,0,0|2,0,0]=4 2751 B12R1.1112 CCOc1c(cccc1OC)F 34a_100000036725_100000210202 [1,1,0,0,0,0|2,0,0]=4 2752 B12R1.1112 CCOc1c(cccc1OC)F 7a_100000036725_100000210202 [1,1,0,0,0,0|2,0,0]=4 2753 B12R1.1112 CCOc1c(cccc1OC)N 34a_100000123586_100000210202 [1,1,0,0,0,0|2,0,0]=4 2754 B12R1.1112 CCSc1c(cccc1OC)Br 62a_100000210202_100010131421 [1,1,0,0,0,0|2,0,0]=4 2755 B12R1.1112 CCSc1c(cccc1OC)Br 62a_100010131421_100000210202 [1,1,0,0,0,0|2,0,0]=4 2756 B12R1.1112 CCSc1c(cccc1OC)C 62a_100000210202_100010191535 [1,1,0,0,0,0|2,0,0]=4 2757 B12R1.1112 CCSc1c(cccc1OC)C 62a_100010191535_100000210202 [1,1,0,0,0,0|2,0,0]=4 2758 B12R1.1112 CCSc1c(cccc1OC)F 62a_100000210202_100000703912 [1,1,0,0,0,0|2,0,0]=4 2759 B12R1.1112 CCSc1c(cccc1OC)F 62a_100000703912_100000210202 [1,1,0,0,0,0|2,0,0]=4 2760 B12R1.1112 CCSc1c(cccc1OC)N 62a_100000210202_100000703447 [1,1,0,0,0,0|2,0,0]=4 2761 B12R1.1112 CCSc1c(cccc1OC)N 62a_100000703447_100000210202 [1,1,0,0,0,0|2,0,0]=4 2762 B12R1.1112 CCSc1c(cccc1OC)O 62a_100000210202_100010202623 [1,1,0,0,0,0|2,0,0]=4 2763 B12R1.1112 CNCc1c(cccc1OC)Br 207a_100102657272_100009814803 [1,1,0,0,0,0|1,0,1]=4 2764 B12R1.1112 CNCc1c(cccc1OC)Br 26a_100102657272_100000686866 [1,1,0,0,0,0|1,0,1]=4 2765 B12R1.1112 CNCc1c(cccc1OC)Br 270004a_106832991635_100009814803 [1,1,0,0,0,0|1,0,1]=4 2766 B12R1.1112 CNCc1c(cccc1OC)C 207a_100102657272_100000050978 [1,1,0,0,0,0|1,0,1]=4 2767 B12R1.1112 CNCc1c(cccc1OC)C 270004a_106832991635_100000050978 [1,1,0,0,0,0|1,0,1]=4 2768 B12R1.1112 CNCc1c(cccc1OC)Cl 207a_100102657272_100000757644 [1,1,0,0,0,0|1,0,1]=4 2769 B12R1.1112 CNCc1c(cccc1OC)Cl 2230a_106832991635_100012349678 [1,1,0,0,0,0|1,0,1]=4 2770 B12R1.1112 CNCc1c(cccc1OC)Cl 270004a_106832991635_100000757644 [1,1,0,0,0,0|1,0,1]=4 2771 B12R1.1112 CNCc1c(cccc1OC)Cl 34a_100102657272_100012349678 [1,1,0,0,0,0|1,0,1]=4 2772 B12R1.1112 CNCc1c(cccc1OC)Cl 7a_106832991635_100012349678 [1,1,0,0,0,0|1,0,1]=4 2773 B12R1.1112 CNCc1c(cccc1OC)F 207a_100102657272_100011216730 [1,1,0,0,0,0|1,0,1]=4 2774 B12R1.1112 CNCc1c(cccc1OC)F 2230a_106832991635_100011216731 [1,1,0,0,0,0|1,0,1]=4 2775 B12R1.1112 CNCc1c(cccc1OC)F 270004a_106832991635_100011216730 [1,1,0,0,0,0|1,0,1]=4 2776 B12R1.1112 CNCc1c(cccc1OC)F 34a_100016992011_200000210301 [1,1,0,0,0,0|1,0,1]=4 2777 B12R1.1112 CNCc1c(cccc1OC)F 34a_100102657272_100011216731 [1,1,0,0,0,0|1,0,1]=4 2778 B12R1.1112 CNCc1c(cccc1OC)F 7a_106832991635_100011216731 [1,1,0,0,0,0|1,0,1]=4 2779 B12R1.1112 COCc1c(cccc1OC)Cl 34a_100138415774_100012349678 [1,1,0,0,0,0|0,0,1]=3 2780 B12R1.1112 COCc1c(cccc1OC)F 34a_100011216733_200000210301 [1,1,0,0,0,0|0,0,1]=3 2781 B12R1.1112 COCc1c(cccc1OC)F 34a_100138415774_100011216731 [1,1,0,0,0,0|0,0,1]=3 2782 B12R1.1112 COCc1c(cccc1OC)F 7a_100011216733_200000210301 [1,1,0,0,0,0|0,0,1]=3 2783 B12R1.1112 COc1cccc(c1CN[13CH3])F 34a_100016992011_200025704644 [1,1,0,0,0,0|1,0,1]=4 2784 B12R1.1112 COc1cccc(c1CO[13CH3])F 34a_100011216733_200025704644 [1,1,0,0,0,0|0,0,1]=3 2785 B12R1.1112 COc1cccc(c1CO[13CH3])F 7a_100011216733_200025704644 [1,1,0,0,0,0|0,0,1]=3 2786 B12R1.1112 COc1cccc(c1CSC)Cl 62a_100012349678_200000210301 [1,1,0,0,0,0|0,1,1]=4 2787 B12R1.1112 COc1cccc(c1CSC)Cl 62a_200000210301_100012349678 [1,1,0,0,0,0|0,1,1]=4 2788 B12R1.1112 COc1cccc(c1CSC)F 62a_100011216731_200000210301 [1,1,0,0,0,0|0,1,1]=4 2789 B12R1.1112 COc1cccc(c1CSC)F 62a_200000210301_100011216731 [1,1,0,0,0,0|0,1,1]=4 2790 B12R1.1112 COc1cccc(c1CS[13CH3])Cl 62a_100012349678_200025704644 [1,1,0,0,0,0|0,1,1]=4 2791 B12R1.1112 COc1cccc(c1CS[13CH3])Cl 62a_200025704644_100012349678 [1,1,0,0,0,0|0,1,1]=4 2792 B12R1.1112 COc1cccc(c1CS[13CH3])F 62a_100011216731_200025704644 [1,1,0,0,0,0|0,1,1]=4 2793 B12R1.1112 COc1cccc(c1CS[13CH3])F 62a_200025704644_100011216731 [1,1,0,0,0,0|0,1,1]=4 2794 B12R1.46 C=C(C)c1cc(=O)[nH]cc1OC 271570a_100000694244_100121573661 [1,1,0,0,0,0|2,0,0]=4 2795 B12R1.46 C=C(C)c1cc(ccc1NC)C 271570a_100000694244_100000221369 [1,1,0,0,0,0|2,0,0]=4 2796 B12R1.46 C=C(C)c1cc(ccc1NC)F 271570a_100000694244_100011246292 [1,1,0,0,0,0|2,0,0]=4 2797 B12R1.46 C=C(C)c1cc(ccc1NC)F 34a_100009961556_200000210301 [1,1,0,0,0,0|2,0,0]=4 2798 B12R1.46 C=C(C)c1cc(ccc1N[13CH3])F 34a_100009961556_200025704644 [1,1,0,0,0,0|2,0,0]=4 2799 B12R1.46 C=C(C)c1cc(ccc1OC)Br 271570a_100000694244_100012351588 [1,1,0,0,0,0|1,0,0]=3 2800 B12R1.46 C=C(C)c1cc(ccc1OC)C 271570a_100000694244_100000186399 [1,1,0,0,0,0|1,0,0]=3 2801 B12R1.46 C=C(C)c1cc(ccc1OC)Cl 271570a_100000694244_100011215930 [1,1,0,0,0,0|1,0,0]=3 2802 B12R1.46 C=C(C)c1cc(ccc1OC)F 271570a_100000694244_100000171694 [1,1,0,0,0,0|1,0,0]=3 2803 B12R1.46 C=C(C)c1cc(ccc1OC)N 271570a_100000694244_100000187427 [1,1,0,0,0,0|1,0,0]=3 2804 B12R1.46 C=C(C)c1cc(ccc1OC)O 271570a_100000694244_100010084122 [1,1,0,0,0,0|1,0,0]=3 2805 B12R1.46 C=C(C)c1cc(ccc1SC)C 271570a_100000694244_200010201864 [1,1,0,0,0,0|1,1,0]=4 2806 B12R1.46 C=C(C)c1cc(ccc1SC)F 271570a_100000694244_100009817003 [1,1,0,0,0,0|1,1,0]=4 2807 B12R1.46 C=C(C)c1cc(cnc1OC)Br 271570a_100000694244_100009814608 [1,1,0,0,0,0|2,0,0]=4 2808 B12R1.46 C=C(C)c1cc(cnc1OC)C 271570a_100000694244_100012353929 [1,1,0,0,0,0|2,0,0]=4 2809 B12R1.46 C=C(C)c1cc(cnc1OC)F 271570a_100000694244_100009828472 [1,1,0,0,0,0|2,0,0]=4 2810 B12R1.46 C=C(C)c1cc(cnc1OC)N 271570a_100000694244_100012351452 [1,1,0,0,0,0|2,0,0]=4 2811 B12R1.46 C=C(C)c1cc(ncc1OC)C 271570a_100000694244_100010109759 [1,1,0,0,0,0|2,0,0]=4 2812 B12R1.46 C=C(C)c1nc(ccc1OC)C 271570a_100000694244_100009820875 [1,1,0,0,0,0|2,0,0]=4 2813 B12R1.46 C=C(C)c1nc(ccc1OC)N 271570a_100000694244_100010172607 [1,1,0,0,0,0|2,0,0]=4 2814 B12R1.46 C=Cc1ccc(cc1C(=O)C)Br 271570a_100011290941_100012349576 [1,1,0,0,0,0|1,0,1]=4 2815 B12R1.46 C=Cc1ccc(cc1C(=O)C)C 271570a_100011290941_100012361225 [1,1,0,0,0,0|1,0,1]=4 2816 B12R1.46 C=Cc1ccc(cc1C(=O)C)F 271570a_100011290941_100012353695 [1,1,0,0,0,0|1,0,1]=4 2817 B12R1.46 C=Cc1ccc(cc1C(=O)C)N 271570a_100011290941_100012349454 [1,1,0,0,0,0|1,0,1]=4 2818 B12R1.46 CC(=O)c1cc(ccc1C#N)F 1458a_100011217471_200000210301 [1,1,0,0,0,0|2,0,0]=4 2819 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [1,1,0,0,0,0|0,0,0]=2 2820 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [1,1,0,0,0,0|0,0,0]=2 2821 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [1,1,0,0,0,0|0,0,0]=2 2822 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [1,1,0,0,0,0|0,0,0]=2 2823 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [1,1,0,0,0,0|0,0,0]=2 2824 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [1,1,0,0,0,0|0,0,0]=2 2825 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [1,1,0,0,0,0|0,0,0]=2 2826 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [1,1,0,0,0,0|0,0,0]=2 2827 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [1,1,0,0,0,0|0,0,0]=2 2828 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])Br 62a_100012349576_200025704644 [1,1,0,0,0,0|0,1,0]=3 2829 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_100012361225_200025704644 [1,1,0,0,0,0|0,1,0]=3 2830 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012361225 [1,1,0,0,0,0|0,1,0]=3 2831 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_100012353695_200025704644 [1,1,0,0,0,0|0,1,0]=3 2832 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100010200798 [1,1,0,0,0,0|0,1,0]=3 2833 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])N 62a_100012349454_200025704644 [1,1,0,0,0,0|0,1,0]=3 2834 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_100000118324_200025704644 [1,1,0,0,0,0|1,1,0]=4 2835 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_200025704644_100000118324 [1,1,0,0,0,0|1,1,0]=4 2836 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 34a_100000691460_200025704644 [1,1,0,0,0,0|1,0,1]=4 2837 B12R1.46 CC(C)c1cc(ccc1O[13CH3])Br 7a_100000691460_200025704644 [1,1,0,0,0,0|1,0,1]=4 2838 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 34a_200011305312_200025704644 [1,1,0,0,0,0|0,0,2]=4 2839 B12R1.46 CC(O)c1cc(ccc1O[13CH3])F 7a_200011305312_200025704644 [1,1,0,0,0,0|0,0,2]=4 2840 B12R1.46 CCc1ccc(cc1C(=O)C)Br 1458a_100012343961_200000210301 [1,1,0,0,0,0|1,0,0]=3 2841 B12R1.46 CCc1ccc(cc1C(=O)[13CH3])Br 1458a_100012343961_200025704644 [1,1,0,0,0,0|1,0,0]=3 2842 B12R1.46 CNc1ccc(cc1C(=O)N)Br 27a_100102657272_200000162314 [1,1,0,0,0,0|2,0,0]=4 2843 B12R1.46 CNc1ccc(cc1C(=O)N)Br 34a_100000740421_200000210301 [1,1,0,0,0,0|2,0,0]=4 2844 B12R1.46 CNc1ccc(cc1C(=O)N)Br 7a_100000740421_200000210301 [1,1,0,0,0,0|2,0,0]=4 2845 B12R1.46 CNc1ccc(cc1C(=O)N)C 34a_100011692829_200000210301 [1,1,0,0,0,0|2,0,0]=4 2846 B12R1.46 CNc1ccc(cc1C(=O)N)Cl 34a_100000743835_200000210301 [1,1,0,0,0,0|2,0,0]=4 2847 B12R1.46 CNc1ccc(cc1C(=O)N)Cl 7a_100000743835_200000210301 [1,1,0,0,0,0|2,0,0]=4 2848 B12R1.46 CNc1ccc(cc1C(=O)N)F 34a_100000741173_200000210301 [1,1,0,0,0,0|2,0,0]=4 2849 B12R1.46 CNc1ccc(cc1C(=O)N)F 7a_100000741173_200000210301 [1,1,0,0,0,0|2,0,0]=4 2850 B12R1.46 CNc1ccc(cc1C(=O)N)O 271570a_203496583355_200010114593 [1,1,0,0,0,0|2,0,0]=4 2851 B12R1.46 COc1ccc(cc1B(O)O)O 271570a_203496583355_100009813459 [1,1,0,0,0,0|1,0,1]=4 2852 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [1,1,0,0,0,0|0,0,0]=2 2853 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [1,1,0,0,0,0|0,0,0]=2 2854 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [1,1,0,0,0,0|0,0,0]=2 2855 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [1,1,0,0,0,0|0,0,0]=2 2856 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [1,1,0,0,0,0|0,0,0]=2 2857 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [1,1,0,0,0,0|0,0,0]=2 2858 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [1,1,0,0,0,0|0,0,0]=2 2859 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [1,1,0,0,0,0|0,0,0]=2 2860 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [1,1,0,0,0,0|0,0,0]=2 2861 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [1,1,0,0,0,0|0,0,0]=2 2862 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [1,1,0,0,0,0|0,0,0]=2 2863 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [1,1,0,0,0,0|0,0,0]=2 2864 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [1,1,0,0,0,0|0,0,0]=2 2865 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [1,1,0,0,0,0|0,0,0]=2 2866 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [1,1,0,0,0,0|0,0,0]=2 2867 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [1,1,0,0,0,0|0,0,0]=2 2868 B12R1.46 COc1ccc(cc1C(=O)N)Br 34a_100000192807_200000210301 [1,1,0,0,0,0|1,0,0]=3 2869 B12R1.46 COc1ccc(cc1C(=O)N)Br 7a_100000192807_200000210301 [1,1,0,0,0,0|1,0,0]=3 2870 B12R1.46 COc1ccc(cc1C(=O)N)C 34a_200000192840_200000210301 [1,1,0,0,0,0|1,0,0]=3 2871 B12R1.46 COc1ccc(cc1C(=O)N)C 7a_200000192840_200000210301 [1,1,0,0,0,0|1,0,0]=3 2872 B12R1.46 COc1ccc(cc1C(=O)N)Cl 34a_100000185026_200000210301 [1,1,0,0,0,0|1,0,0]=3 2873 B12R1.46 COc1ccc(cc1C(=O)N)Cl 7a_100000185026_200000210301 [1,1,0,0,0,0|1,0,0]=3 2874 B12R1.46 COc1ccc(cc1C(=O)N)F 34a_100012186459_200000210301 [1,1,0,0,0,0|1,0,0]=3 2875 B12R1.46 COc1ccc(cc1C(=O)N)F 7a_100012186459_200000210301 [1,1,0,0,0,0|1,0,0]=3 2876 B12R1.46 COc1ccc(cc1C(=O)N)I 34a_100000192813_200000210301 [1,1,0,0,0,0|1,0,0]=3 2877 B12R1.46 COc1ccc(cc1C(=O)N)I 7a_100000192813_200000210301 [1,1,0,0,0,0|1,0,0]=3 2878 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [1,1,0,0,0,0|0,0,0]=2 2879 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [1,1,0,0,0,0|0,0,0]=2 2880 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [1,1,0,0,0,0|0,0,0]=2 2881 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [1,1,0,0,0,0|0,0,0]=2 2882 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [1,1,0,0,0,0|0,0,0]=2 2883 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [1,1,0,0,0,0|0,0,0]=2 2884 B12R1.46 COc1ccc(cc1C(C)C)Br 34a_100000691460_200000210301 [1,1,0,0,0,0|1,0,1]=4 2885 B12R1.46 COc1ccc(cc1C(C)C)Br 7a_100000691460_200000210301 [1,1,0,0,0,0|1,0,1]=4 2886 B12R1.46 COc1ccc(cc1C(C)O)F 34a_200011305312_200000210301 [1,1,0,0,0,0|0,0,2]=4 2887 B12R1.46 COc1ccc(cc1C(C)O)F 7a_200011305312_200000210301 [1,1,0,0,0,0|0,0,2]=4 2888 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 34a_100011853016_200000210301 [1,1,0,0,0,0|1,0,1]=4 2889 B12R1.46 COc1ccc(cc1[C@@H](C)N)Cl 7a_100011853016_200000210301 [1,1,0,0,0,0|1,0,1]=4 2890 B12R1.46 COc1ccc(cc1[C@H](C)N)F 34a_100160469477_200000210301 [1,1,0,0,0,0|1,0,1]=4 2891 B12R1.46 COc1ccc(cc1[C@H](C)N)F 7a_100160469477_200000210301 [1,1,0,0,0,0|1,0,1]=4 2892 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_200000210301 [1,1,0,0,0,0|1,0,1]=4 2893 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_200000210301 [1,1,0,0,0,0|1,0,1]=4 2894 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 34a_100000195567_200000210301 [1,1,0,0,0,0|1,0,1]=4 2895 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 7a_100000195567_200000210301 [1,1,0,0,0,0|1,0,1]=4 2896 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_200000210301 [1,1,0,0,0,0|1,0,1]=4 2897 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_200000210301 [1,1,0,0,0,0|1,0,1]=4 2898 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_200000210301 [1,1,0,0,0,0|1,0,1]=4 2899 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_200000210301 [1,1,0,0,0,0|1,0,1]=4 2900 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_200000210301 [1,1,0,0,0,0|1,0,1]=4 2901 B12R1.46 COc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_200000210301 [1,1,0,0,0,0|1,0,1]=4 2902 B12R1.46 COc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_200000210301 [1,1,0,0,0,0|1,0,1]=4 2903 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [1,1,0,0,0,0|1,0,0]=3 2904 B12R1.46 CSc1ccc(cc1C(=O)C)Br 62a_100012349576_200000210301 [1,1,0,0,0,0|0,1,0]=3 2905 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_100012361225_200000210301 [1,1,0,0,0,0|0,1,0]=3 2906 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_200000210301_100012361225 [1,1,0,0,0,0|0,1,0]=3 2907 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_100012353695_200000210301 [1,1,0,0,0,0|0,1,0]=3 2908 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_200000210301_100010200798 [1,1,0,0,0,0|0,1,0]=3 2909 B12R1.46 CSc1ccc(cc1C(=O)C)N 62a_100012349454_200000210301 [1,1,0,0,0,0|0,1,0]=3 2910 B12R1.46 CSc1ccc(cc1C(=O)N)Br 62a_200000162314_200000210301 [1,1,0,0,0,0|1,1,0]=4 2911 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200000210301_200012349609 [1,1,0,0,0,0|1,1,0]=4 2912 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200012349609_200000210301 [1,1,0,0,0,0|1,1,0]=4 2913 B12R1.46 CSc1ccc(cc1C(=O)N)F 62a_100000206434_200000210301 [1,1,0,0,0,0|1,1,0]=4 2914 B12R1.46 CSc1ccc(cc1C(=O)N)F 62a_200000210301_100000206434 [1,1,0,0,0,0|1,1,0]=4 2915 B12R1.46 CSc1ccc(cc1C(=O)N)N 62a_100015186447_200000210301 [1,1,0,0,0,0|1,1,0]=4 2916 B12R1.46 CSc1ccc(cc1C(=O)O)Br 62a_100011072988_200000210301 [1,1,0,0,0,0|0,1,0]=3 2917 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_100000118324_200000210301 [1,1,0,0,0,0|1,1,0]=4 2918 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_200000210301_100000118324 [1,1,0,0,0,0|1,1,0]=4 2919 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 34a_100011853016_200025704644 [1,1,0,0,0,0|1,0,1]=4 2920 B12R1.46 C[C@@H](N)c1cc(ccc1O[13CH3])Cl 7a_100011853016_200025704644 [1,1,0,0,0,0|1,0,1]=4 2921 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 34a_100160469477_200025704644 [1,1,0,0,0,0|1,0,1]=4 2922 B12R1.46 C[C@H](N)c1cc(ccc1O[13CH3])F 7a_100160469477_200025704644 [1,1,0,0,0,0|1,0,1]=4 2923 B12R1.46 Cc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100011692829_200025704644 [1,1,0,0,0,0|2,0,0]=4 2924 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 34a_200000192840_200025704644 [1,1,0,0,0,0|1,0,0]=3 2925 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 7a_200000192840_200025704644 [1,1,0,0,0,0|1,0,0]=3 2926 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200012349609_200025704644 [1,1,0,0,0,0|1,1,0]=4 2927 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200025704644_200012349609 [1,1,0,0,0,0|1,1,0]=4 2928 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000195567_200025704644 [1,1,0,0,0,0|1,0,1]=4 2929 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000195567_200025704644 [1,1,0,0,0,0|1,0,1]=4 2930 B12R1.46 [13CH3]C(=O)c1cc(ccc1C#N)F 1458a_100011217471_200025704644 [1,1,0,0,0,0|2,0,0]=4 2931 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Br 34a_100000740421_200025704644 [1,1,0,0,0,0|2,0,0]=4 2932 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Br 7a_100000740421_200025704644 [1,1,0,0,0,0|2,0,0]=4 2933 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Cl 34a_100000743835_200025704644 [1,1,0,0,0,0|2,0,0]=4 2934 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)Cl 7a_100000743835_200025704644 [1,1,0,0,0,0|2,0,0]=4 2935 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)F 34a_100000741173_200025704644 [1,1,0,0,0,0|2,0,0]=4 2936 B12R1.46 [13CH3]Nc1ccc(cc1C(=O)N)F 7a_100000741173_200025704644 [1,1,0,0,0,0|2,0,0]=4 2937 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 34a_100000192807_200025704644 [1,1,0,0,0,0|1,0,0]=3 2938 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 7a_100000192807_200025704644 [1,1,0,0,0,0|1,0,0]=3 2939 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 34a_100000185026_200025704644 [1,1,0,0,0,0|1,0,0]=3 2940 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 7a_100000185026_200025704644 [1,1,0,0,0,0|1,0,0]=3 2941 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 34a_100012186459_200025704644 [1,1,0,0,0,0|1,0,0]=3 2942 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 7a_100012186459_200025704644 [1,1,0,0,0,0|1,0,0]=3 2943 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 34a_100000192813_200025704644 [1,1,0,0,0,0|1,0,0]=3 2944 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 7a_100000192813_200025704644 [1,1,0,0,0,0|1,0,0]=3 2945 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_200025704644 [1,1,0,0,0,0|1,0,1]=4 2946 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_200025704644 [1,1,0,0,0,0|1,0,1]=4 2947 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_200025704644 [1,1,0,0,0,0|1,0,1]=4 2948 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_200025704644 [1,1,0,0,0,0|1,0,1]=4 2949 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_200025704644 [1,1,0,0,0,0|1,0,1]=4 2950 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_200025704644 [1,1,0,0,0,0|1,0,1]=4 2951 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_200025704644 [1,1,0,0,0,0|1,0,1]=4 2952 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_200025704644 [1,1,0,0,0,0|1,0,1]=4 2953 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_200025704644 [1,1,0,0,0,0|1,0,1]=4 2954 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)Br 62a_200000162314_200025704644 [1,1,0,0,0,0|1,1,0]=4 2955 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)F 62a_100000206434_200025704644 [1,1,0,0,0,0|1,1,0]=4 2956 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)F 62a_200025704644_100000206434 [1,1,0,0,0,0|1,1,0]=4 2957 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)N)N 62a_100015186447_200025704644 [1,1,0,0,0,0|1,1,0]=4 2958 B12R1.46 [13CH3]Sc1ccc(cc1C(=O)O)Br 62a_100011072988_200025704644 [1,1,0,0,0,0|0,1,0]=3 2959 B12R1.57 C=C(C)c1ccc(cc1CC)Br 271570a_100000694244_100011216195 [1,1,0,0,0,0|2,0,0]=4 2960 B12R1.57 C=C(C)c1ccc(cc1CC)N 271570a_100000694244_100010109747 [1,1,0,0,0,0|2,0,0]=4 2961 B12R1.57 C=C(C)c1ccc(cc1NC)F 271570a_100000694244_100020633008 [1,1,0,0,0,0|2,0,0]=4 2962 B12R1.57 C=C(C)c1ccc(cc1OC)Br 271570a_100000694244_100010245111 [1,1,0,0,0,0|1,0,0]=3 2963 B12R1.57 C=C(C)c1ccc(cc1OC)C 271570a_100000694244_100010200004 [1,1,0,0,0,0|1,0,0]=3 2964 B12R1.57 C=C(C)c1ccc(cc1OC)Cl 271570a_100000694244_100000050115 [1,1,0,0,0,0|1,0,0]=3 2965 B12R1.57 C=C(C)c1ccc(cc1OC)F 271570a_100000694244_100000757151 [1,1,0,0,0,0|1,0,0]=3 2966 B12R1.57 C=C(C)c1ccc(cc1OC)N 271570a_100000694244_100000765947 [1,1,0,0,0,0|1,0,0]=3 2967 B12R1.57 C=C(C)c1ccc(cc1OC)O 271570a_100000694244_100011827694 [1,1,0,0,0,0|1,0,0]=3 2968 B12R1.57 C=C(C)c1ccc(cc1SC)C 271570a_100000694244_200010709736 [1,1,0,0,0,0|1,1,0]=4 2969 B12R1.57 C=C(C)c1ccc(nc1OC)C 271570a_100000694244_100010138632 [1,1,0,0,0,0|2,0,0]=4 2970 B12R1.57 C=C(C)c1ccc(nc1OC)N 271570a_100000694244_100010187630 [1,1,0,0,0,0|2,0,0]=4 2971 B12R1.57 C=C(C)c1cnc(cc1OC)C 271570a_100000694244_100000717771 [1,1,0,0,0,0|2,0,0]=4 2972 B12R1.57 C=C(C)c1cnc(cc1OC)Cl 271570a_100000694244_100010154656 [1,1,0,0,0,0|2,0,0]=4 2973 B12R1.57 C=C(C)c1cnc(cc1OC)F 271570a_100000694244_100010135560 [1,1,0,0,0,0|2,0,0]=4 2974 B12R1.57 C=C(C)c1cnc(cc1OC)N 271570a_100000694244_100015506990 [1,1,0,0,0,0|2,0,0]=4 2975 B12R1.57 C=C(C)c1ncc(cc1OC)C 271570a_100000694244_200000118316 [1,1,0,0,0,0|2,0,0]=4 2976 B12R1.57 C=C(C)c1ncc(cc1OC)F 271570a_100000694244_100009867738 [1,1,0,0,0,0|2,0,0]=4 2977 B12R1.57 C=C(C)c1ncc(cc1OC)N 271570a_100000694244_100000097218 [1,1,0,0,0,0|2,0,0]=4 2978 B12R1.57 C=Cc1cc(ccc1C(=O)C)C 271570a_100011290941_100012353930 [1,1,0,0,0,0|1,0,1]=4 2979 B12R1.57 C=Cc1cc(ccc1C(=O)C)F 271570a_100011290941_100000686192 [1,1,0,0,0,0|1,0,1]=4 2980 B12R1.57 C=Cc1cc(ccc1C(=O)C)O 271570a_100011290941_100012340537 [1,1,0,0,0,0|1,0,1]=4 2981 B12R1.57 CC(=O)c1ccc(cc1C#N)Br 1458a_100012349539_200000210301 [1,1,0,0,0,0|2,0,0]=4 2982 B12R1.57 CC(=O)c1ccc(cc1C#N)C 1458a_200012184421_200000210301 [1,1,0,0,0,0|2,0,0]=4 2983 B12R1.57 CC(=O)c1ccc(cc1C#N)F 1458a_100012002388_200000210301 [1,1,0,0,0,0|2,0,0]=4 2984 B12R1.57 CC(=O)c1ccc(cc1CO)Br 1458a_100010253900_200000210301 [1,1,0,0,0,0|2,0,0]=4 2985 B12R1.57 CC(=O)c1ccc(cc1CO)F 1458a_100013035055_200000210301 [1,1,0,0,0,0|2,0,0]=4 2986 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [1,1,0,0,0,0|0,0,0]=2 2987 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [1,1,0,0,0,0|0,0,0]=2 2988 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [1,1,0,0,0,0|0,0,0]=2 2989 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [1,1,0,0,0,0|0,0,0]=2 2990 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [1,1,0,0,0,0|0,0,0]=2 2991 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [1,1,0,0,0,0|0,0,0]=2 2992 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_100012353930_200025704644 [1,1,0,0,0,0|0,1,0]=3 2993 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012353930 [1,1,0,0,0,0|0,1,0]=3 2994 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])F 62a_100000686192_200025704644 [1,1,0,0,0,0|0,1,0]=3 2995 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])O 62a_100012340537_200025704644 [1,1,0,0,0,0|0,1,0]=3 2996 B12R1.57 CCc1cc(ccc1C(=O)C)Br 1458a_200012349896_200000210301 [1,1,0,0,0,0|1,0,0]=3 2997 B12R1.57 CCc1cc(ccc1C(=O)[13CH3])Br 1458a_200012349896_200025704644 [1,1,0,0,0,0|1,0,0]=3 2998 B12R1.57 CNc1cc(ccc1C(=O)C)F 27a_100102657272_100000686192 [1,1,0,0,0,0|1,0,0]=3 2999 B12R1.57 CNc1cc(ccc1C(=O)N)Br 27a_100102657272_100009815748 [1,1,0,0,0,0|2,0,0]=4 3000 B12R1.57 CNc1cc(ccc1C(=O)N)Br 7a_100012349972_200000210301 [1,1,0,0,0,0|2,0,0]=4 3001 B12R1.57 CNc1cc(ccc1C(=O)N)C 34a_100011219537_200000210301 [1,1,0,0,0,0|2,0,0]=4 3002 B12R1.57 CNc1cc(ccc1C(=O)N)C 7a_100011219537_200000210301 [1,1,0,0,0,0|2,0,0]=4 3003 B12R1.57 CNc1cc(ccc1C(=O)N)Cl 34a_100000738103_200000210301 [1,1,0,0,0,0|2,0,0]=4 3004 B12R1.57 CNc1cc(ccc1C(=O)N)Cl 7a_100000738103_200000210301 [1,1,0,0,0,0|2,0,0]=4 3005 B12R1.57 CNc1cc(ccc1C(=O)N)F 27a_100102657272_100000206404 [1,1,0,0,0,0|2,0,0]=4 3006 B12R1.57 CNc1cc(ccc1C(=O)N)F 34a_100011298637_200000210301 [1,1,0,0,0,0|2,0,0]=4 3007 B12R1.57 COc1cc(ccc1B(O)O)O 271570a_203496583355_100010245881 [1,1,0,0,0,0|1,0,1]=4 3008 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [1,1,0,0,0,0|0,0,0]=2 3009 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [1,1,0,0,0,0|0,0,0]=2 3010 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [1,1,0,0,0,0|0,0,0]=2 3011 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [1,1,0,0,0,0|0,0,0]=2 3012 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [1,1,0,0,0,0|0,0,0]=2 3013 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [1,1,0,0,0,0|0,0,0]=2 3014 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [1,1,0,0,0,0|0,0,0]=2 3015 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [1,1,0,0,0,0|0,0,0]=2 3016 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [1,1,0,0,0,0|0,0,0]=2 3017 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [1,1,0,0,0,0|0,0,0]=2 3018 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [1,1,0,0,0,0|0,0,0]=2 3019 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [1,1,0,0,0,0|0,0,0]=2 3020 B12R1.57 COc1cc(ccc1C(=O)N)Br 34a_100011550861_200000210301 [1,1,0,0,0,0|1,0,0]=3 3021 B12R1.57 COc1cc(ccc1C(=O)N)Br 7a_100011550861_200000210301 [1,1,0,0,0,0|1,0,0]=3 3022 B12R1.57 COc1cc(ccc1C(=O)N)C 34a_100000192831_200000210301 [1,1,0,0,0,0|1,0,0]=3 3023 B12R1.57 COc1cc(ccc1C(=O)N)C 7a_100000192831_200000210301 [1,1,0,0,0,0|1,0,0]=3 3024 B12R1.57 COc1cc(ccc1C(=O)N)Cl 34a_100000192836_200000210301 [1,1,0,0,0,0|1,0,0]=3 3025 B12R1.57 COc1cc(ccc1C(=O)N)Cl 7a_100000192836_200000210301 [1,1,0,0,0,0|1,0,0]=3 3026 B12R1.57 COc1cc(ccc1C(=O)N)N 34a_100000223280_200000210301 [1,1,0,0,0,0|1,0,0]=3 3027 B12R1.57 COc1cc(ccc1C(=O)N)N 7a_100000223280_200000210301 [1,1,0,0,0,0|1,0,0]=3 3028 B12R1.57 COc1cc(ccc1C(=O)N)O 271570a_203496583355_100000748320 [1,1,0,0,0,0|1,0,0]=3 3029 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [1,1,0,0,0,0|0,0,0]=2 3030 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [1,1,0,0,0,0|0,0,0]=2 3031 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [1,1,0,0,0,0|0,0,0]=2 3032 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [1,1,0,0,0,0|0,0,0]=2 3033 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [1,1,0,0,0,0|0,0,0]=2 3034 B12R1.57 COc1cc(ccc1C(C)C)C 34a_100000185798_200000210301 [1,1,0,0,0,0|1,0,1]=4 3035 B12R1.57 COc1cc(ccc1C(C)C)C 7a_100000185798_200000210301 [1,1,0,0,0,0|1,0,1]=4 3036 B12R1.57 COc1cc(ccc1N(C)C)Cl 2230a_100000061351_200000210301 [1,1,0,0,0,0|2,0,0]=4 3037 B12R1.57 COc1cc(ccc1N(C)C)Cl 269982a_100000061351_200000210301 [1,1,0,0,0,0|2,0,0]=4 3038 B12R1.57 COc1cc(ccc1N(C)C)Cl 34a_100000061351_200000210301 [1,1,0,0,0,0|2,0,0]=4 3039 B12R1.57 COc1cc(ccc1N(C)C)F 2230a_100020633920_200000210301 [1,1,0,0,0,0|2,0,0]=4 3040 B12R1.57 COc1cc(ccc1N(C)C)F 269982a_100020633920_200000210301 [1,1,0,0,0,0|2,0,0]=4 3041 B12R1.57 COc1cc(ccc1N(C)C)F 34a_100020633920_200000210301 [1,1,0,0,0,0|2,0,0]=4 3042 B12R1.57 COc1cc(ccc1N(C)C)F 38a_100020633920_200000210301 [1,1,0,0,0,0|2,0,0]=4 3043 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 2230a_100000061351_200025704644 [1,1,0,0,0,0|2,0,0]=4 3044 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 269982a_100000061351_200025704644 [1,1,0,0,0,0|2,0,0]=4 3045 B12R1.57 COc1cc(ccc1N(C)[13CH3])Cl 34a_100000061351_200025704644 [1,1,0,0,0,0|2,0,0]=4 3046 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 2230a_100020633920_200025704644 [1,1,0,0,0,0|2,0,0]=4 3047 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 269982a_100020633920_200025704644 [1,1,0,0,0,0|2,0,0]=4 3048 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 34a_100020633920_200025704644 [1,1,0,0,0,0|2,0,0]=4 3049 B12R1.57 COc1cc(ccc1N(C)[13CH3])F 38a_100020633920_200025704644 [1,1,0,0,0,0|2,0,0]=4 3050 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_200000210301 [1,1,0,0,0,0|1,0,1]=4 3051 B12R1.57 COc1cc(ccc1[N+](=O)[O-])C 34a_100000195450_200000210301 [1,1,0,0,0,0|1,0,1]=4 3052 B12R1.57 COc1cc(ccc1[N+](=O)[O-])C 7a_100000195450_200000210301 [1,1,0,0,0,0|1,0,1]=4 3053 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_200000210301 [1,1,0,0,0,0|1,0,1]=4 3054 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_200000210301 [1,1,0,0,0,0|1,0,1]=4 3055 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_200000210301 [1,1,0,0,0,0|1,0,1]=4 3056 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_200000210301 [1,1,0,0,0,0|1,0,1]=4 3057 B12R1.57 COc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_200000210301 [1,1,0,0,0,0|1,0,1]=4 3058 B12R1.57 COc1cc(cnc1C(=O)C)O 271570a_203496583355_100010137934 [1,1,0,0,0,0|1,0,0]=3 3059 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_100012353930_200000210301 [1,1,0,0,0,0|0,1,0]=3 3060 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_200000210301_100012353930 [1,1,0,0,0,0|0,1,0]=3 3061 B12R1.57 CSc1cc(ccc1C(=O)C)F 62a_100000686192_200000210301 [1,1,0,0,0,0|0,1,0]=3 3062 B12R1.57 CSc1cc(ccc1C(=O)C)O 62a_100012340537_200000210301 [1,1,0,0,0,0|0,1,0]=3 3063 B12R1.57 CSc1cc(ccc1C(=O)N)Br 62a_100009815748_200000210301 [1,1,0,0,0,0|1,1,0]=4 3064 B12R1.57 CSc1cc(ccc1C(=O)N)F 62a_100000206404_200000210301 [1,1,0,0,0,0|1,1,0]=4 3065 B12R1.57 CSc1cc(ccc1C(=O)N)F 62a_200000210301_100000206404 [1,1,0,0,0,0|1,1,0]=4 3066 B12R1.57 Cc1ccc(c(c1)C#N)C(=O)[13CH3] 1458a_200012184421_200025704644 [1,1,0,0,0,0|2,0,0]=4 3067 B12R1.57 Cc1ccc(c(c1)N[13CH3])C(=O)N 34a_100011219537_200025704644 [1,1,0,0,0,0|2,0,0]=4 3068 B12R1.57 Cc1ccc(c(c1)N[13CH3])C(=O)N 7a_100011219537_200025704644 [1,1,0,0,0,0|2,0,0]=4 3069 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 34a_100000192831_200025704644 [1,1,0,0,0,0|1,0,0]=3 3070 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 7a_100000192831_200025704644 [1,1,0,0,0,0|1,0,0]=3 3071 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 34a_100000185798_200025704644 [1,1,0,0,0,0|1,0,1]=4 3072 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(C)C 7a_100000185798_200025704644 [1,1,0,0,0,0|1,0,1]=4 3073 B12R1.57 Cc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 34a_100000195450_200025704644 [1,1,0,0,0,0|1,0,1]=4 3074 B12R1.57 Cc1ccc(c(c1)O[13CH3])[N+](=O)[O-] 7a_100000195450_200025704644 [1,1,0,0,0,0|1,0,1]=4 3075 B12R1.57 [13CH3]C(=O)c1ccc(cc1C#N)Br 1458a_100012349539_200025704644 [1,1,0,0,0,0|2,0,0]=4 3076 B12R1.57 [13CH3]C(=O)c1ccc(cc1C#N)F 1458a_100012002388_200025704644 [1,1,0,0,0,0|2,0,0]=4 3077 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)Br 1458a_100010253900_200025704644 [1,1,0,0,0,0|2,0,0]=4 3078 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)F 1458a_100013035055_200025704644 [1,1,0,0,0,0|2,0,0]=4 3079 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Br 7a_100012349972_200025704644 [1,1,0,0,0,0|2,0,0]=4 3080 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Cl 34a_100000738103_200025704644 [1,1,0,0,0,0|2,0,0]=4 3081 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)Cl 7a_100000738103_200025704644 [1,1,0,0,0,0|2,0,0]=4 3082 B12R1.57 [13CH3]Nc1cc(ccc1C(=O)N)F 34a_100011298637_200025704644 [1,1,0,0,0,0|2,0,0]=4 3083 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 34a_100011550861_200025704644 [1,1,0,0,0,0|1,0,0]=3 3084 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Br 7a_100011550861_200025704644 [1,1,0,0,0,0|1,0,0]=3 3085 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 34a_100000192836_200025704644 [1,1,0,0,0,0|1,0,0]=3 3086 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 7a_100000192836_200025704644 [1,1,0,0,0,0|1,0,0]=3 3087 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 34a_100000223280_200025704644 [1,1,0,0,0,0|1,0,0]=3 3088 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)N 7a_100000223280_200025704644 [1,1,0,0,0,0|1,0,0]=3 3089 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Br 7a_100011934350_200025704644 [1,1,0,0,0,0|1,0,1]=4 3090 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Cl 34a_100000746067_200025704644 [1,1,0,0,0,0|1,0,1]=4 3091 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])Cl 7a_100000746067_200025704644 [1,1,0,0,0,0|1,0,1]=4 3092 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])F 34a_100000210785_200025704644 [1,1,0,0,0,0|1,0,1]=4 3093 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])F 7a_100000210785_200025704644 [1,1,0,0,0,0|1,0,1]=4 3094 B12R1.57 [13CH3]Oc1cc(ccc1[N+](=O)[O-])I 7a_100000072657_200025704644 [1,1,0,0,0,0|1,0,1]=4 3095 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)Br 62a_100009815748_200025704644 [1,1,0,0,0,0|1,1,0]=4 3096 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)F 62a_100000206404_200025704644 [1,1,0,0,0,0|1,1,0]=4 3097 B12R1.57 [13CH3]Sc1cc(ccc1C(=O)N)F 62a_200025704644_100000206404 [1,1,0,0,0,0|1,1,0]=4 3098 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 34a_100000211619_200025704644 [1,1,0,0,0,0|1,0,1]=4 3099 B12R1.76 CC(C)(C)c1ccccc1O[13CH3] 7a_100000211619_200025704644 [1,1,0,0,0,0|1,0,1]=4 3100 B12R1.76 CNc1ccccc1P(=O)(C)C 2230a_100010749338_200000210301 [1,1,0,0,0,0|2,0,0]=4 3101 B12R1.76 CNc1ccccc1P(=O)(C)C 34a_100010749338_200000210301 [1,1,0,0,0,0|2,0,0]=4 3102 B12R1.76 CNc1ccccc1S(=O)(=O)C 34a_100000241000_200000210301 [1,1,0,0,0,0|2,0,0]=4 3103 B12R1.76 CNc1ccccc1S(=O)(=O)C 7a_100000241000_200000210301 [1,1,0,0,0,0|2,0,0]=4 3104 B12R1.76 COc1ccccc1C(C)(C)C 34a_100000211619_200000210301 [1,1,0,0,0,0|1,0,1]=4 3105 B12R1.76 COc1ccccc1C(C)(C)C 7a_100000211619_200000210301 [1,1,0,0,0,0|1,0,1]=4 3106 B12R1.76 COc1ccccc1S(=O)(=O)C 34a_100000054562_200000210301 [1,1,0,0,0,0|1,0,0]=3 3107 B12R1.76 COc1ccccc1S(=O)(=O)C 7a_100000054562_200000210301 [1,1,0,0,0,0|1,0,0]=3 3108 B12R1.76 COc1ccccc1[Si](C)(C)C 7a_100000095915_200000210301 [1,1,0,0,0,0|1,1,0]=4 3109 B12R1.76 CP(=O)(C)c1ccccc1N[13CH3] 2230a_100010749338_200025704644 [1,1,0,0,0,0|2,0,0]=4 3110 B12R1.76 CP(=O)(C)c1ccccc1N[13CH3] 34a_100010749338_200025704644 [1,1,0,0,0,0|2,0,0]=4 3111 B12R1.76 CS(=O)(=O)c1ccccc1N[13CH3] 34a_100000241000_200025704644 [1,1,0,0,0,0|2,0,0]=4 3112 B12R1.76 CS(=O)(=O)c1ccccc1N[13CH3] 7a_100000241000_200025704644 [1,1,0,0,0,0|2,0,0]=4 3113 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 34a_100000054562_200025704644 [1,1,0,0,0,0|1,0,0]=3 3114 B12R1.76 CS(=O)(=O)c1ccccc1O[13CH3] 7a_100000054562_200025704644 [1,1,0,0,0,0|1,0,0]=3 3115 B12R1.76 CS(=O)(=O)c1ccccc1S[13CH3] 62a_100000751929_200025704644 [1,1,0,0,0,0|1,1,0]=4 3116 B12R1.76 CS(=O)(=O)c1ccccc1S[13CH3] 62a_200025704644_100000751929 [1,1,0,0,0,0|1,1,0]=4 3117 B12R1.76 CSc1ccccc1S(=O)(=O)C 62a_100000751929_200000210301 [1,1,0,0,0,0|1,1,0]=4 3118 B12R1.76 CSc1ccccc1S(=O)(=O)C 62a_200000210301_100000751929 [1,1,0,0,0,0|1,1,0]=4 3119 B12R1.76 C[Si](C)(C)c1ccccc1O[13CH3] 7a_100000095915_200025704644 [1,1,0,0,0,0|1,1,0]=4 3120 B12R1.87 C=C(C)c1cccc(c1NC)N 271570a_100000694244_100010510394 [1,1,0,0,0,0|2,0,0]=4 3121 B12R1.87 C=C(C)c1cccc(c1OC)Br 271570a_100000694244_100010146560 [1,1,0,0,0,0|1,0,0]=3 3122 B12R1.87 C=C(C)c1cccc(c1OC)C 271570a_100000694244_100010141385 [1,1,0,0,0,0|1,0,0]=3 3123 B12R1.87 C=C(C)c1cccc(c1OC)Cl 271570a_100000694244_100010147678 [1,1,0,0,0,0|1,0,0]=3 3124 B12R1.87 C=C(C)c1cccc(c1OC)F 271570a_100000694244_100009816759 [1,1,0,0,0,0|1,0,0]=3 3125 B12R1.87 C=C(C)c1cccc(c1OC)N 271570a_100000694244_100011935253 [1,1,0,0,0,0|1,0,0]=3 3126 B12R1.87 C=C(C)c1cccc(c1OC)O 271570a_100000694244_100010234590 [1,1,0,0,0,0|1,0,0]=3 3127 B12R1.87 C=C(C)c1cccc(c1SC)F 271570a_100000694244_200010709249 [1,1,0,0,0,0|1,1,0]=4 3128 B12R1.87 C=C(C)c1ccnc(c1OC)C 271570a_100000694244_100000685116 [1,1,0,0,0,0|2,0,0]=4 3129 B12R1.87 C=C(C)c1ccnc(c1OC)Cl 271570a_100000694244_100010068014 [1,1,0,0,0,0|2,0,0]=4 3130 B12R1.87 C=C(C)c1ccnc(c1OC)N 271570a_100000694244_100009880012 [1,1,0,0,0,0|2,0,0]=4 3131 B12R1.87 C=C(C)c1cncc(c1OC)N 271570a_100000694244_100012359933 [1,1,0,0,0,0|2,0,0]=4 3132 B12R1.87 C=C(C)c1nccc(c1OC)N 271570a_100000694244_100000104429 [1,1,0,0,0,0|2,0,0]=4 3133 B12R1.87 C=C(C)c1nccc(c1OC)O 271570a_100000694244_100000104430 [1,1,0,0,0,0|2,0,0]=4 3134 B12R1.87 C=Cc1c(cccc1C(=O)C)F 271570a_100011290941_100012362612 [1,1,0,0,0,0|1,0,1]=4 3135 B12R1.87 CC(=O)c1cccc(c1C#N)F 1458a_100000702252_200000210301 [1,1,0,0,0,0|2,0,0]=4 3136 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 34a_100009847209_200025704644 [1,1,0,0,0,0|0,0,0]=2 3137 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 7a_100009847209_200025704644 [1,1,0,0,0,0|0,0,0]=2 3138 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 34a_100000043392_200025704644 [1,1,0,0,0,0|0,0,0]=2 3139 B12R1.87 CC(=O)c1cccc(c1O[13CH3])Cl 7a_100000043392_200025704644 [1,1,0,0,0,0|0,0,0]=2 3140 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 34a_100011246037_200025704644 [1,1,0,0,0,0|0,0,0]=2 3141 B12R1.87 CC(=O)c1cccc(c1O[13CH3])F 7a_100011246037_200025704644 [1,1,0,0,0,0|0,0,0]=2 3142 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_100012362612_200025704644 [1,1,0,0,0,0|0,1,0]=3 3143 B12R1.87 CC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012362612 [1,1,0,0,0,0|0,1,0]=3 3144 B12R1.87 CCc1c(cccc1C(=O)C)Br 1458a_100010125490_200000210301 [1,1,0,0,0,0|1,0,0]=3 3145 B12R1.87 CCc1c(cccc1C(=O)[13CH3])Br 1458a_100010125490_200025704644 [1,1,0,0,0,0|1,0,0]=3 3146 B12R1.87 CNc1c(cccc1C(=O)N)C 34a_100000223273_200000210301 [1,1,0,0,0,0|2,0,0]=4 3147 B12R1.87 CNc1c(cccc1C(=O)N)Cl 34a_200011997947_200000210301 [1,1,0,0,0,0|2,0,0]=4 3148 B12R1.87 CNc1c(cccc1C(=O)N)F 34a_100011722151_200000210301 [1,1,0,0,0,0|2,0,0]=4 3149 B12R1.87 COc1c(cccc1B(O)O)O 271570a_203496583355_100010078571 [1,1,0,0,0,0|1,0,1]=4 3150 B12R1.87 COc1c(cccc1C(=O)C)Br 1458a_100000689802_200000210301 [1,1,0,0,0,0|0,0,0]=2 3151 B12R1.87 COc1c(cccc1C(=O)C)C 1458a_100000187929_200000210301 [1,1,0,0,0,0|0,0,0]=2 3152 B12R1.87 COc1c(cccc1C(=O)C)C 34a_100009847209_200000210301 [1,1,0,0,0,0|0,0,0]=2 3153 B12R1.87 COc1c(cccc1C(=O)C)C 7a_100009847209_200000210301 [1,1,0,0,0,0|0,0,0]=2 3154 B12R1.87 COc1c(cccc1C(=O)C)Cl 1458a_100011934004_200000210301 [1,1,0,0,0,0|0,0,0]=2 3155 B12R1.87 COc1c(cccc1C(=O)C)Cl 34a_100000043392_200000210301 [1,1,0,0,0,0|0,0,0]=2 3156 B12R1.87 COc1c(cccc1C(=O)C)Cl 7a_100000043392_200000210301 [1,1,0,0,0,0|0,0,0]=2 3157 B12R1.87 COc1c(cccc1C(=O)C)F 1458a_100011218433_200000210301 [1,1,0,0,0,0|0,0,0]=2 3158 B12R1.87 COc1c(cccc1C(=O)C)F 34a_100011246037_200000210301 [1,1,0,0,0,0|0,0,0]=2 3159 B12R1.87 COc1c(cccc1C(=O)C)F 7a_100011246037_200000210301 [1,1,0,0,0,0|0,0,0]=2 3160 B12R1.87 COc1c(cccc1C(=O)C)O 1458a_100000080799_200000210301 [1,1,0,0,0,0|0,0,0]=2 3161 B12R1.87 COc1c(cccc1C(=O)C)O 271570a_203496583355_100010725610 [1,1,0,0,0,0|0,0,0]=2 3162 B12R1.87 COc1c(cccc1C(=O)N)Cl 34a_100009868166_200000210301 [1,1,0,0,0,0|1,0,0]=3 3163 B12R1.87 COc1c(cccc1C(=O)N)Cl 7a_100009868166_200000210301 [1,1,0,0,0,0|1,0,0]=3 3164 B12R1.87 COc1c(cccc1C(=O)N)F 34a_100009886295_200000210301 [1,1,0,0,0,0|1,0,0]=3 3165 B12R1.87 COc1c(cccc1C(=O)N)F 7a_100009886295_200000210301 [1,1,0,0,0,0|1,0,0]=3 3166 B12R1.87 COc1c(cccc1C(=O)N)O 271570a_203496583355_100010146779 [1,1,0,0,0,0|1,0,0]=3 3167 B12R1.87 COc1c(cccc1C(=O)[13CH3])Br 1458a_100000689802_200025704644 [1,1,0,0,0,0|0,0,0]=2 3168 B12R1.87 COc1c(cccc1C(=O)[13CH3])C 1458a_100000187929_200025704644 [1,1,0,0,0,0|0,0,0]=2 3169 B12R1.87 COc1c(cccc1C(=O)[13CH3])Cl 1458a_100011934004_200025704644 [1,1,0,0,0,0|0,0,0]=2 3170 B12R1.87 COc1c(cccc1C(=O)[13CH3])F 1458a_100011218433_200025704644 [1,1,0,0,0,0|0,0,0]=2 3171 B12R1.87 COc1c(cccc1C(=O)[13CH3])O 1458a_100000080799_200025704644 [1,1,0,0,0,0|0,0,0]=2 3172 B12R1.87 COc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_200000210301 [1,1,0,0,0,0|1,0,1]=4 3173 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 34a_100000763257_200000210301 [1,1,0,0,0,0|1,0,1]=4 3174 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 7a_100000763257_200000210301 [1,1,0,0,0,0|1,0,1]=4 3175 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_200000210301 [1,1,0,0,0,0|1,0,1]=4 3176 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_200000210301 [1,1,0,0,0,0|1,0,1]=4 3177 B12R1.87 COc1c(cccc1[N+](=O)[O-])F 34a_100000690172_200000210301 [1,1,0,0,0,0|1,0,1]=4 3178 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_100012362612_200000210301 [1,1,0,0,0,0|0,1,0]=3 3179 B12R1.87 CSc1c(cccc1C(=O)C)F 62a_200000210301_100012362612 [1,1,0,0,0,0|0,1,0]=3 3180 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200000210301_200011409216 [1,1,0,0,0,0|1,1,0]=4 3181 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200011409216_200000210301 [1,1,0,0,0,0|1,1,0]=4 3182 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200000210301_200012351544 [1,1,0,0,0,0|1,1,0]=4 3183 B12R1.87 CSc1c(cccc1C(=O)N)F 62a_200012351544_200000210301 [1,1,0,0,0,0|1,1,0]=4 3184 B12R1.87 Cc1cccc(c1N[13CH3])C(=O)N 34a_100000223273_200025704644 [1,1,0,0,0,0|2,0,0]=4 3185 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 34a_100000763257_200025704644 [1,1,0,0,0,0|1,0,1]=4 3186 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 7a_100000763257_200025704644 [1,1,0,0,0,0|1,0,1]=4 3187 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200011409216_200025704644 [1,1,0,0,0,0|1,1,0]=4 3188 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200025704644_200011409216 [1,1,0,0,0,0|1,1,0]=4 3189 B12R1.87 [13CH3]C(=O)c1cccc(c1C#N)F 1458a_100000702252_200025704644 [1,1,0,0,0,0|2,0,0]=4 3190 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)Cl 34a_200011997947_200025704644 [1,1,0,0,0,0|2,0,0]=4 3191 B12R1.87 [13CH3]Nc1c(cccc1C(=O)N)F 34a_100011722151_200025704644 [1,1,0,0,0,0|2,0,0]=4 3192 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 34a_100009868166_200025704644 [1,1,0,0,0,0|1,0,0]=3 3193 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)Cl 7a_100009868166_200025704644 [1,1,0,0,0,0|1,0,0]=3 3194 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 34a_100009886295_200025704644 [1,1,0,0,0,0|1,0,0]=3 3195 B12R1.87 [13CH3]Oc1c(cccc1C(=O)N)F 7a_100009886295_200025704644 [1,1,0,0,0,0|1,0,0]=3 3196 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Br 34a_100000689966_200025704644 [1,1,0,0,0,0|1,0,1]=4 3197 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Cl 34a_100000686934_200025704644 [1,1,0,0,0,0|1,0,1]=4 3198 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])Cl 7a_100000686934_200025704644 [1,1,0,0,0,0|1,0,1]=4 3199 B12R1.87 [13CH3]Oc1c(cccc1[N+](=O)[O-])F 34a_100000690172_200025704644 [1,1,0,0,0,0|1,0,1]=4 3200 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200012351544_200025704644 [1,1,0,0,0,0|1,1,0]=4 3201 B12R1.87 [13CH3]Sc1c(cccc1C(=O)N)F 62a_200025704644_200012351544 [1,1,0,0,0,0|1,1,0]=4 3202 B12R1.261 C=C(C)c1ccccc1C(=O)C 271570a_100000694244_100000751169 [1,1,0,0,0,0|1,0,0]=3 3203 B12R1.261 C=C(C)c1ccccc1C(=O)N 271570a_100000694244_100000162227 [1,1,0,0,0,0|2,0,0]=4 3204 B12R1.261 C=C(C)c1ccccc1C(C)C 271570a_100000694244_100011218076 [1,1,0,0,0,0|2,0,0]=4 3205 B12R1.261 C=C(C)c1ccccc1C(C)N 271570a_100000694244_100000181357 [1,1,0,0,0,0|2,0,0]=4 3206 B12R1.261 C=C(C)c1ccccc1C(C)O 271570a_100000694244_100000702211 [1,1,0,0,0,0|2,0,0]=4 3207 B12R1.261 C=C(C)c1ccccc1N(C)C 271570a_100000694244_100011290883 [1,1,0,0,0,0|2,0,0]=4 3208 B12R1.261 C=C(C)c1ccccc1S(=O)C 271570a_100000694244_100000734199 [1,1,0,0,0,0|1,1,0]=4 3209 B12R1.261 C=C(C)c1cccnc1C(=O)C 271570a_100000694244_100012348690 [1,1,0,0,0,0|2,0,0]=4 3210 B12R1.261 C=C(C)c1ccncc1C(=O)C 271570a_100000694244_100160469449 [1,1,0,0,0,0|2,0,0]=4 3211 B12R1.261 C=C(C)c1cnccc1C(=O)C 271570a_100000694244_100009993184 [1,1,0,0,0,0|2,0,0]=4 3212 B12R1.261 C=C(C)c1ncccc1C(=O)C 271570a_100000694244_100000753718 [1,1,0,0,0,0|2,0,0]=4 3213 B12R1.261 CC(=O)c1ccccc1C(C)C 1458a_100011941426_200000210301 [1,1,0,0,0,0|1,0,0]=3 3214 B12R1.261 CC(=O)c1ccccc1C(F)F 1458a_100009872251_200000210301 [1,1,0,0,0,0|2,0,0]=4 3215 B12R1.261 CC(=O)c1ccccc1I(=O)=O 1458a_100000061294_200000210301 [1,1,0,0,0,0|2,0,0]=4 3216 B12R1.261 CC(=O)c1ccccc1N(C)C 1458a_100011218752_200000210301 [1,1,0,0,0,0|1,0,0]=3 3217 B12R1.261 CC(=O)c1ccccc1S(=O)C 1458a_100000204632_200000210301 [1,1,0,0,0,0|0,1,0]=3 3218 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200000210301 [1,1,0,0,0,0|2,0,0]=4 3219 B12R1.261 CC(=O)c1cccnc1N(C)C 27a_100102631434_100009816689 [1,1,0,0,0,0|2,0,0]=4 3220 B12R1.261 CC(=O)c1cnccc1N(C)C 27a_100102631434_100160469449 [1,1,0,0,0,0|2,0,0]=4 3221 B12R1.261 CC(C)c1ccccc1C(=O)[13CH3] 1458a_100011941426_200025704644 [1,1,0,0,0,0|1,0,0]=3 3222 B12R1.261 CN(C)c1ccccc1C(=O)N 269982a_100000184419_200000210301 [1,1,0,0,0,0|2,0,0]=4 3223 B12R1.261 CN(C)c1ccccc1C(=O)[13CH3] 1458a_100011218752_200025704644 [1,1,0,0,0,0|1,0,0]=3 3224 B12R1.261 CN([13CH3])c1ccccc1C(=O)N 269982a_100000184419_200025704644 [1,1,0,0,0,0|2,0,0]=4 3225 B12R1.261 CS(=O)c1ccccc1C(=O)[13CH3] 1458a_100000204632_200025704644 [1,1,0,0,0,0|0,1,0]=3 3226 B12R1.261 [13CH3]C(=O)c1ccccc1C(F)F 1458a_100009872251_200025704644 [1,1,0,0,0,0|2,0,0]=4 3227 B12R1.261 [13CH3]C(=O)c1ccccc1I(=O)=O 1458a_100000061294_200025704644 [1,1,0,0,0,0|2,0,0]=4 3228 B12R1.261 [13CH3]C(=O)c1ccccc1[N+](=O)[O-] 1458a_100000188706_200025704644 [1,1,0,0,0,0|2,0,0]=4 3229 B12R1.437 C=C(C)c1c(cccc1CC)C 271570a_100000694244_100000036235 [1,1,0,0,0,0|2,0,0]=4 3230 B12R1.437 C=C(C)c1c(cccc1OC)Br 271570a_100000694244_100010131421 [1,1,0,0,0,0|1,0,0]=3 3231 B12R1.437 C=C(C)c1c(cccc1OC)F 271570a_100000694244_100000041735 [1,1,0,0,0,0|1,0,0]=3 3232 B12R1.437 C=C(C)c1c(cccc1OC)N 271570a_100000694244_100000703447 [1,1,0,0,0,0|1,0,0]=3 3233 B12R1.437 C=C(C)c1c(cccc1OC)O 271570a_100000694244_100010202623 [1,1,0,0,0,0|1,0,0]=3 3234 B12R1.437 C=C(C)c1c(ccnc1OC)C 271570a_100000694244_100012353928 [1,1,0,0,0,0|2,0,0]=4 3235 B12R1.437 C=C(C)c1c(ccnc1OC)N 271570a_100000694244_100010243811 [1,1,0,0,0,0|2,0,0]=4 3236 B12R1.437 C=Cc1cccc(c1C(=O)C)F 271570a_100011290941_100012351873 [1,1,0,0,0,0|1,0,1]=4 3237 B12R1.437 C=Cc1cccc(c1C(=O)C)O 271570a_100011290941_100010174959 [1,1,0,0,0,0|1,0,1]=4 3238 B12R1.437 CC(=O)c1c(cccc1C#N)Br 1458a_200010145881_200000210301 [1,1,0,0,0,0|2,0,0]=4 3239 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 34a_100010174959_200025704644 [1,1,0,0,0,0|0,0,0]=2 3240 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Br 7a_100010174959_200025704644 [1,1,0,0,0,0|0,0,0]=2 3241 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 34a_100009860897_200025704644 [1,1,0,0,0,0|0,0,0]=2 3242 B12R1.437 CC(=O)c1c(cccc1O[13CH3])C 7a_100009860897_200025704644 [1,1,0,0,0,0|0,0,0]=2 3243 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 34a_100000730630_200025704644 [1,1,0,0,0,0|0,0,0]=2 3244 B12R1.437 CC(=O)c1c(cccc1O[13CH3])Cl 7a_100000730630_200025704644 [1,1,0,0,0,0|0,0,0]=2 3245 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 34a_100011216272_200025704644 [1,1,0,0,0,0|0,0,0]=2 3246 B12R1.437 CC(=O)c1c(cccc1O[13CH3])F 7a_100011216272_200025704644 [1,1,0,0,0,0|0,0,0]=2 3247 B12R1.437 CC(=O)c1c(cccc1S[13CH3])F 62a_100012351873_200025704644 [1,1,0,0,0,0|0,1,0]=3 3248 B12R1.437 CC(=O)c1c(ccnc1S[13CH3])N 62a_200010729368_200025704644 [1,1,0,0,0,0|1,1,0]=4 3249 B12R1.437 CC(=O)c1c(ccnc1S[13CH3])N 62a_200025704644_200010729368 [1,1,0,0,0,0|1,1,0]=4 3250 B12R1.437 CNc1cccc(c1C(=O)N)C 34a_100102558177_200000210301 [1,1,0,0,0,0|2,0,0]=4 3251 B12R1.437 CNc1cccc(c1C(=O)N)C 7a_100102558177_200000210301 [1,1,0,0,0,0|2,0,0]=4 3252 B12R1.437 CNc1cccc(c1C(=O)N)Cl 34a_100000764435_200000210301 [1,1,0,0,0,0|2,0,0]=4 3253 B12R1.437 CNc1cccc(c1C(=O)N)Cl 7a_100000764435_200000210301 [1,1,0,0,0,0|2,0,0]=4 3254 B12R1.437 CNc1cccc(c1C(=O)N)F 27a_100102657272_100011219063 [1,1,0,0,0,0|2,0,0]=4 3255 B12R1.437 CNc1cccc(c1C(=O)N)F 34a_100000036109_200000210301 [1,1,0,0,0,0|2,0,0]=4 3256 B12R1.437 CNc1cccc(c1C(=O)N)F 7a_100000036109_200000210301 [1,1,0,0,0,0|2,0,0]=4 3257 B12R1.437 COc1cccc(c1C(=O)C)Br 1458a_100011593405_200000210301 [1,1,0,0,0,0|0,0,0]=2 3258 B12R1.437 COc1cccc(c1C(=O)C)Br 34a_100010174959_200000210301 [1,1,0,0,0,0|0,0,0]=2 3259 B12R1.437 COc1cccc(c1C(=O)C)Br 7a_100010174959_200000210301 [1,1,0,0,0,0|0,0,0]=2 3260 B12R1.437 COc1cccc(c1C(=O)C)C 1458a_100000066212_200000210301 [1,1,0,0,0,0|0,0,0]=2 3261 B12R1.437 COc1cccc(c1C(=O)C)C 34a_100009860897_200000210301 [1,1,0,0,0,0|0,0,0]=2 3262 B12R1.437 COc1cccc(c1C(=O)C)C 7a_100009860897_200000210301 [1,1,0,0,0,0|0,0,0]=2 3263 B12R1.437 COc1cccc(c1C(=O)C)Cl 1458a_100000743539_200000210301 [1,1,0,0,0,0|0,0,0]=2 3264 B12R1.437 COc1cccc(c1C(=O)C)Cl 34a_100000730630_200000210301 [1,1,0,0,0,0|0,0,0]=2 3265 B12R1.437 COc1cccc(c1C(=O)C)Cl 7a_100000730630_200000210301 [1,1,0,0,0,0|0,0,0]=2 3266 B12R1.437 COc1cccc(c1C(=O)C)F 1458a_100000759380_200000210301 [1,1,0,0,0,0|0,0,0]=2 3267 B12R1.437 COc1cccc(c1C(=O)C)F 34a_100011216272_200000210301 [1,1,0,0,0,0|0,0,0]=2 3268 B12R1.437 COc1cccc(c1C(=O)C)F 7a_100011216272_200000210301 [1,1,0,0,0,0|0,0,0]=2 3269 B12R1.437 COc1cccc(c1C(=O)C)I 1458a_100010179659_200000210301 [1,1,0,0,0,0|0,0,0]=2 3270 B12R1.437 COc1cccc(c1C(=O)C)O 1458a_100000043310_200000210301 [1,1,0,0,0,0|0,0,0]=2 3271 B12R1.437 COc1cccc(c1C(=O)C)O 271570a_203496583355_100010725609 [1,1,0,0,0,0|0,0,0]=2 3272 B12R1.437 COc1cccc(c1C(=O)N)F 34a_100000701607_200000210301 [1,1,0,0,0,0|1,0,0]=3 3273 B12R1.437 COc1cccc(c1C(=O)N)F 7a_100000701607_200000210301 [1,1,0,0,0,0|1,0,0]=3 3274 B12R1.437 COc1cccc(c1C(=O)N)O 271570a_203496583355_200010146778 [1,1,0,0,0,0|1,0,0]=3 3275 B12R1.437 COc1cccc(c1C(=O)[13CH3])Br 1458a_100011593405_200025704644 [1,1,0,0,0,0|0,0,0]=2 3276 B12R1.437 COc1cccc(c1C(=O)[13CH3])C 1458a_100000066212_200025704644 [1,1,0,0,0,0|0,0,0]=2 3277 B12R1.437 COc1cccc(c1C(=O)[13CH3])Cl 1458a_100000743539_200025704644 [1,1,0,0,0,0|0,0,0]=2 3278 B12R1.437 COc1cccc(c1C(=O)[13CH3])F 1458a_100000759380_200025704644 [1,1,0,0,0,0|0,0,0]=2 3279 B12R1.437 COc1cccc(c1C(=O)[13CH3])I 1458a_100010179659_200025704644 [1,1,0,0,0,0|0,0,0]=2 3280 B12R1.437 COc1cccc(c1C(=O)[13CH3])O 1458a_100000043310_200025704644 [1,1,0,0,0,0|0,0,0]=2 3281 B12R1.437 COc1cccc(c1[N+](=O)[O-])Br 34a_100011934925_200000210301 [1,1,0,0,0,0|1,0,1]=4 3282 B12R1.437 COc1cccc(c1[N+](=O)[O-])Br 7a_100011934925_200000210301 [1,1,0,0,0,0|1,0,1]=4 3283 B12R1.437 COc1cccc(c1[N+](=O)[O-])C 34a_100000740142_200000210301 [1,1,0,0,0,0|1,0,1]=4 3284 B12R1.437 COc1cccc(c1[N+](=O)[O-])C 7a_100000740142_200000210301 [1,1,0,0,0,0|1,0,1]=4 3285 B12R1.437 COc1cccc(c1[N+](=O)[O-])Cl 34a_100011999376_200000210301 [1,1,0,0,0,0|1,0,1]=4 3286 B12R1.437 COc1cccc(c1[N+](=O)[O-])Cl 7a_100011999376_200000210301 [1,1,0,0,0,0|1,0,1]=4 3287 B12R1.437 COc1cccc(c1[N+](=O)[O-])F 34a_100011217962_200000210301 [1,1,0,0,0,0|1,0,1]=4 3288 B12R1.437 COc1cccc(c1[N+](=O)[O-])F 7a_100011217962_200000210301 [1,1,0,0,0,0|1,0,1]=4 3289 B12R1.437 COc1cccc(c1[N+](=O)[O-])I 7a_100010150324_200000210301 [1,1,0,0,0,0|1,0,1]=4 3290 B12R1.437 CSc1cccc(c1C(=O)C)F 62a_100012351873_200000210301 [1,1,0,0,0,0|0,1,0]=3 3291 B12R1.437 CSc1cccc(c1C(=O)N)Cl 62a_100010147686_200000210301 [1,1,0,0,0,0|1,1,0]=4 3292 B12R1.437 CSc1cccc(c1C(=O)N)F 62a_100011219063_200000210301 [1,1,0,0,0,0|1,1,0]=4 3293 B12R1.437 CSc1nccc(c1C(=O)C)N 62a_200000210301_200010729368 [1,1,0,0,0,0|1,1,0]=4 3294 B12R1.437 CSc1nccc(c1C(=O)C)N 62a_200010729368_200000210301 [1,1,0,0,0,0|1,1,0]=4 3295 B12R1.437 Cc1cccc(c1C(=O)N)N[13CH3] 34a_100102558177_200025704644 [1,1,0,0,0,0|2,0,0]=4 3296 B12R1.437 Cc1cccc(c1C(=O)N)N[13CH3] 7a_100102558177_200025704644 [1,1,0,0,0,0|2,0,0]=4 3297 B12R1.437 Cc1cccc(c1[N+](=O)[O-])O[13CH3] 34a_100000740142_200025704644 [1,1,0,0,0,0|1,0,1]=4 3298 B12R1.437 Cc1cccc(c1[N+](=O)[O-])O[13CH3] 7a_100000740142_200025704644 [1,1,0,0,0,0|1,0,1]=4 3299 B12R1.437 [13CH3]C(=O)c1c(cccc1C#N)Br 1458a_200010145881_200025704644 [1,1,0,0,0,0|2,0,0]=4 3300 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)Cl 34a_100000764435_200025704644 [1,1,0,0,0,0|2,0,0]=4 3301 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)Cl 7a_100000764435_200025704644 [1,1,0,0,0,0|2,0,0]=4 3302 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)F 34a_100000036109_200025704644 [1,1,0,0,0,0|2,0,0]=4 3303 B12R1.437 [13CH3]Nc1cccc(c1C(=O)N)F 7a_100000036109_200025704644 [1,1,0,0,0,0|2,0,0]=4 3304 B12R1.437 [13CH3]Oc1cccc(c1C(=O)N)F 34a_100000701607_200025704644 [1,1,0,0,0,0|1,0,0]=3 3305 B12R1.437 [13CH3]Oc1cccc(c1C(=O)N)F 7a_100000701607_200025704644 [1,1,0,0,0,0|1,0,0]=3 3306 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Br 34a_100011934925_200025704644 [1,1,0,0,0,0|1,0,1]=4 3307 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Br 7a_100011934925_200025704644 [1,1,0,0,0,0|1,0,1]=4 3308 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Cl 34a_100011999376_200025704644 [1,1,0,0,0,0|1,0,1]=4 3309 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])Cl 7a_100011999376_200025704644 [1,1,0,0,0,0|1,0,1]=4 3310 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])F 34a_100011217962_200025704644 [1,1,0,0,0,0|1,0,1]=4 3311 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])F 7a_100011217962_200025704644 [1,1,0,0,0,0|1,0,1]=4 3312 B12R1.437 [13CH3]Oc1cccc(c1[N+](=O)[O-])I 7a_100010150324_200025704644 [1,1,0,0,0,0|1,0,1]=4 3313 B12R1.437 [13CH3]Sc1cccc(c1C(=O)N)Cl 62a_100010147686_200025704644 [1,1,0,0,0,0|1,1,0]=4 3314 B12R1.437 [13CH3]Sc1cccc(c1C(=O)N)F 62a_100011219063_200025704644 [1,1,0,0,0,0|1,1,0]=4 3315 B12R1.24 CCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210202 [1,1,0,0,0,0|2,0,0]=4 3316 B12R1.24 CCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210202 [1,1,0,0,0,0|2,0,0]=4 3317 B12R1.24 CCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210202 [1,1,0,0,0,0|2,0,0]=4 3318 B12R1.24 CCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210202 [1,1,0,0,0,0|2,0,0]=4 3319 B12R1.24 CCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210202 [1,1,0,0,0,0|2,0,0]=4 3320 B12R1.24 CCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210202 [1,1,0,0,0,0|2,0,0]=4 3321 B12R1.24 CCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210202 [1,1,0,0,0,0|1,0,0]=3 3322 B12R1.24 CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210202 [1,1,0,0,0,0|1,0,0]=3 3323 B12R1.24 CCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210202 [1,1,0,0,0,0|1,0,0]=3 3324 B12R1.24 CCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210202 [1,1,0,0,0,0|1,0,0]=3 3325 B12R1.24 CCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210202 [1,1,0,0,0,0|1,0,0]=3 3326 B12R1.24 CCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210202 [1,1,0,0,0,0|1,0,0]=3 3327 B12R1.24 CCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210202 [1,1,0,0,0,0|2,0,0]=4 3328 B12R1.24 CCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210202 [1,1,0,0,0,0|2,0,0]=4 3329 B12R1.24 CCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210202 [1,1,0,0,0,0|2,0,0]=4 3330 B12R1.24 CCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210202 [1,1,0,0,0,0|2,0,0]=4 3331 B12R1.24 CCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210202 [1,1,0,0,0,0|2,0,0]=4 3332 B12R1.24 CCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210202 [1,1,0,0,0,0|2,0,0]=4 3333 B12R1.24 CCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210202 [1,1,0,0,0,0|2,0,0]=4 3334 B12R1.24 CCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210202 [1,1,0,0,0,0|2,0,0]=4 3335 B12R1.24 CCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210202 [1,1,0,0,0,0|2,0,0]=4 3336 B12R1.24 CCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210202 [1,1,0,0,0,0|2,0,0]=4 3337 B12R1.24 CCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210202 [1,1,0,0,0,0|2,0,0]=4 3338 B12R1.24 CCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210202 [1,1,0,0,0,0|2,0,0]=4 3339 B12R1.24 CCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210202 [1,1,0,0,0,0|2,0,0]=4 3340 B12R1.24 CCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210202 [1,1,0,0,0,0|2,0,0]=4 3341 B12R1.24 CCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210202 [1,1,0,0,0,0|2,0,0]=4 3342 B12R1.24 CCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210202 [1,1,0,0,0,0|2,0,0]=4 3343 B12R1.24 CCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210202 [1,1,0,0,0,0|2,0,0]=4 3344 B12R1.24 CCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210202 [1,1,0,0,0,0|1,0,0]=3 3345 B12R1.24 CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210202 [1,1,0,0,0,0|1,0,0]=3 3346 B12R1.24 CCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210202 [1,1,0,0,0,0|1,0,0]=3 3347 B12R1.24 CCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210202 [1,1,0,0,0,0|1,0,0]=3 3348 B12R1.24 CCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210202 [1,1,0,0,0,0|1,0,0]=3 3349 B12R1.24 CNC(=O)c1cccc(c1Br)Br 11a_106832991635_100012360534 [1,1,0,0,0,0|2,0,0]=4 3350 B12R1.24 CNC(=O)c1cccc(c1Br)Br 1626a_100102657272_100012360534 [1,1,0,0,0,0|2,0,0]=4 3351 B12R1.24 CNC(=O)c1cccc(c1Br)Br 240690a_100102657272_100012360534 [1,1,0,0,0,0|2,0,0]=4 3352 B12R1.24 CNC(=O)c1cccc(c1Br)Br 527a_100102657272_100012360534 [1,1,0,0,0,0|2,0,0]=4 3353 B12R1.24 CNC(=O)c1cccc(c1Br)C 11a_106832991635_100000692419 [1,1,0,0,0,0|2,0,0]=4 3354 B12R1.24 CNC(=O)c1cccc(c1Br)C 1626a_100102657272_100000692419 [1,1,0,0,0,0|2,0,0]=4 3355 B12R1.24 CNC(=O)c1cccc(c1Br)C 240690a_100102657272_100000692419 [1,1,0,0,0,0|2,0,0]=4 3356 B12R1.24 CNC(=O)c1cccc(c1Br)C 527a_100102657272_100000692419 [1,1,0,0,0,0|2,0,0]=4 3357 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 11a_106832991635_100012339722 [1,1,0,0,0,0|2,0,0]=4 3358 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 1626a_100102657272_100012339722 [1,1,0,0,0,0|2,0,0]=4 3359 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 240690a_100102657272_100012339722 [1,1,0,0,0,0|2,0,0]=4 3360 B12R1.24 CNC(=O)c1cccc(c1Br)Cl 527a_100102657272_100012339722 [1,1,0,0,0,0|2,0,0]=4 3361 B12R1.24 CNC(=O)c1cccc(c1Br)F 11a_106832991635_100011217547 [1,1,0,0,0,0|2,0,0]=4 3362 B12R1.24 CNC(=O)c1cccc(c1Br)F 1626a_100102657272_100011217547 [1,1,0,0,0,0|2,0,0]=4 3363 B12R1.24 CNC(=O)c1cccc(c1Br)F 240690a_100102657272_100011217547 [1,1,0,0,0,0|2,0,0]=4 3364 B12R1.24 CNC(=O)c1cccc(c1Br)F 527a_100102657272_100011217547 [1,1,0,0,0,0|2,0,0]=4 3365 B12R1.24 CNC(=O)c1cccc(c1Br)I 11a_106832991635_100010232522 [1,1,0,0,0,0|2,0,0]=4 3366 B12R1.24 CNC(=O)c1cccc(c1Br)I 1626a_100102657272_100010232522 [1,1,0,0,0,0|2,0,0]=4 3367 B12R1.24 CNC(=O)c1cccc(c1Br)I 240690a_100102657272_100010232522 [1,1,0,0,0,0|2,0,0]=4 3368 B12R1.24 CNC(=O)c1cccc(c1Br)I 527a_100102657272_100010232522 [1,1,0,0,0,0|2,0,0]=4 3369 B12R1.24 CNC(=O)c1cccc(c1Br)O 240690a_100102657272_100010230362 [1,1,0,0,0,0|2,0,0]=4 3370 B12R1.24 CNC(=O)c1cccc(c1Br)O 527a_100102657272_100010230362 [1,1,0,0,0,0|2,0,0]=4 3371 B12R1.24 CNC(=O)c1cccc(c1C)Br 11a_106832991635_100000760464 [1,1,0,0,0,0|1,0,0]=3 3372 B12R1.24 CNC(=O)c1cccc(c1C)Br 1626a_100102657272_100000760464 [1,1,0,0,0,0|1,0,0]=3 3373 B12R1.24 CNC(=O)c1cccc(c1C)Br 240690a_100102657272_100000760464 [1,1,0,0,0,0|1,0,0]=3 3374 B12R1.24 CNC(=O)c1cccc(c1C)Br 527a_100102657272_100000760464 [1,1,0,0,0,0|1,0,0]=3 3375 B12R1.24 CNC(=O)c1cccc(c1C)C 11a_106832991635_100000183679 [1,1,0,0,0,0|1,0,0]=3 3376 B12R1.24 CNC(=O)c1cccc(c1C)C 1626a_100102657272_100000183679 [1,1,0,0,0,0|1,0,0]=3 3377 B12R1.24 CNC(=O)c1cccc(c1C)C 240690a_100102657272_100000183679 [1,1,0,0,0,0|1,0,0]=3 3378 B12R1.24 CNC(=O)c1cccc(c1C)C 527a_100102657272_100000183679 [1,1,0,0,0,0|1,0,0]=3 3379 B12R1.24 CNC(=O)c1cccc(c1C)Cl 11a_106832991635_100000690184 [1,1,0,0,0,0|1,0,0]=3 3380 B12R1.24 CNC(=O)c1cccc(c1C)Cl 1626a_100102657272_100000690184 [1,1,0,0,0,0|1,0,0]=3 3381 B12R1.24 CNC(=O)c1cccc(c1C)Cl 240690a_100102657272_100000690184 [1,1,0,0,0,0|1,0,0]=3 3382 B12R1.24 CNC(=O)c1cccc(c1C)Cl 527a_100102657272_100000690184 [1,1,0,0,0,0|1,0,0]=3 3383 B12R1.24 CNC(=O)c1cccc(c1C)F 11a_106832991635_100011218272 [1,1,0,0,0,0|1,0,0]=3 3384 B12R1.24 CNC(=O)c1cccc(c1C)F 1626a_100102657272_100011218272 [1,1,0,0,0,0|1,0,0]=3 3385 B12R1.24 CNC(=O)c1cccc(c1C)F 240690a_100102657272_100011218272 [1,1,0,0,0,0|1,0,0]=3 3386 B12R1.24 CNC(=O)c1cccc(c1C)F 527a_100102657272_100011218272 [1,1,0,0,0,0|1,0,0]=3 3387 B12R1.24 CNC(=O)c1cccc(c1C)I 11a_106832991635_100000751865 [1,1,0,0,0,0|1,0,0]=3 3388 B12R1.24 CNC(=O)c1cccc(c1C)I 1626a_100102657272_100000751865 [1,1,0,0,0,0|1,0,0]=3 3389 B12R1.24 CNC(=O)c1cccc(c1C)I 240690a_100102657272_100000751865 [1,1,0,0,0,0|1,0,0]=3 3390 B12R1.24 CNC(=O)c1cccc(c1C)I 527a_100102657272_100000751865 [1,1,0,0,0,0|1,0,0]=3 3391 B12R1.24 CNC(=O)c1cccc(c1C)O 240690a_100102657272_100000766327 [1,1,0,0,0,0|1,0,0]=3 3392 B12R1.24 CNC(=O)c1cccc(c1C)O 527a_100102657272_100000766327 [1,1,0,0,0,0|1,0,0]=3 3393 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 11a_106832991635_100000760540 [1,1,0,0,0,0|2,0,0]=4 3394 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 1626a_100102657272_100000760540 [1,1,0,0,0,0|2,0,0]=4 3395 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 240690a_100102657272_100000760540 [1,1,0,0,0,0|2,0,0]=4 3396 B12R1.24 CNC(=O)c1cccc(c1Cl)Br 527a_100102657272_100000760540 [1,1,0,0,0,0|2,0,0]=4 3397 B12R1.24 CNC(=O)c1cccc(c1Cl)C 11a_106832991635_100000693142 [1,1,0,0,0,0|2,0,0]=4 3398 B12R1.24 CNC(=O)c1cccc(c1Cl)C 1626a_100102657272_100000693142 [1,1,0,0,0,0|2,0,0]=4 3399 B12R1.24 CNC(=O)c1cccc(c1Cl)C 240690a_100102657272_100000693142 [1,1,0,0,0,0|2,0,0]=4 3400 B12R1.24 CNC(=O)c1cccc(c1Cl)C 527a_100102657272_100000693142 [1,1,0,0,0,0|2,0,0]=4 3401 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 11a_106832991635_100000183631 [1,1,0,0,0,0|2,0,0]=4 3402 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 1626a_100102657272_100000183631 [1,1,0,0,0,0|2,0,0]=4 3403 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 240690a_100102657272_100000183631 [1,1,0,0,0,0|2,0,0]=4 3404 B12R1.24 CNC(=O)c1cccc(c1Cl)Cl 527a_100102657272_100000183631 [1,1,0,0,0,0|2,0,0]=4 3405 B12R1.24 CNC(=O)c1cccc(c1Cl)F 11a_106832991635_100000759904 [1,1,0,0,0,0|2,0,0]=4 3406 B12R1.24 CNC(=O)c1cccc(c1Cl)F 1626a_100102657272_100000759904 [1,1,0,0,0,0|2,0,0]=4 3407 B12R1.24 CNC(=O)c1cccc(c1Cl)F 240690a_100102657272_100000759904 [1,1,0,0,0,0|2,0,0]=4 3408 B12R1.24 CNC(=O)c1cccc(c1Cl)F 527a_100102657272_100000759904 [1,1,0,0,0,0|2,0,0]=4 3409 B12R1.24 CNC(=O)c1cccc(c1Cl)I 11a_106832991635_100010176783 [1,1,0,0,0,0|2,0,0]=4 3410 B12R1.24 CNC(=O)c1cccc(c1Cl)I 1626a_100102657272_100010176783 [1,1,0,0,0,0|2,0,0]=4 3411 B12R1.24 CNC(=O)c1cccc(c1Cl)I 240690a_100102657272_100010176783 [1,1,0,0,0,0|2,0,0]=4 3412 B12R1.24 CNC(=O)c1cccc(c1Cl)I 527a_100102657272_100010176783 [1,1,0,0,0,0|2,0,0]=4 3413 B12R1.24 CNC(=O)c1cccc(c1Cl)O 240690a_100102657272_100000092362 [1,1,0,0,0,0|2,0,0]=4 3414 B12R1.24 CNC(=O)c1cccc(c1Cl)O 527a_100102657272_100000092362 [1,1,0,0,0,0|2,0,0]=4 3415 B12R1.24 CNC(=O)c1cccc(c1F)Br 11a_106832991635_100000756403 [1,1,0,0,0,0|2,0,0]=4 3416 B12R1.24 CNC(=O)c1cccc(c1F)Br 1626a_100102657272_100000756403 [1,1,0,0,0,0|2,0,0]=4 3417 B12R1.24 CNC(=O)c1cccc(c1F)Br 240690a_100102657272_100000756403 [1,1,0,0,0,0|2,0,0]=4 3418 B12R1.24 CNC(=O)c1cccc(c1F)Br 527a_100102657272_100000756403 [1,1,0,0,0,0|2,0,0]=4 3419 B12R1.24 CNC(=O)c1cccc(c1F)C 11a_106832991635_100000766181 [1,1,0,0,0,0|2,0,0]=4 3420 B12R1.24 CNC(=O)c1cccc(c1F)C 1626a_100102657272_100000766181 [1,1,0,0,0,0|2,0,0]=4 3421 B12R1.24 CNC(=O)c1cccc(c1F)C 240690a_100102657272_100000766181 [1,1,0,0,0,0|2,0,0]=4 3422 B12R1.24 CNC(=O)c1cccc(c1F)C 527a_100102657272_100000766181 [1,1,0,0,0,0|2,0,0]=4 3423 B12R1.24 CNC(=O)c1cccc(c1F)Cl 11a_106832991635_100000688816 [1,1,0,0,0,0|2,0,0]=4 3424 B12R1.24 CNC(=O)c1cccc(c1F)Cl 1626a_100102657272_100000688816 [1,1,0,0,0,0|2,0,0]=4 3425 B12R1.24 CNC(=O)c1cccc(c1F)Cl 240690a_100102657272_100000688816 [1,1,0,0,0,0|2,0,0]=4 3426 B12R1.24 CNC(=O)c1cccc(c1F)Cl 527a_100102657272_100000688816 [1,1,0,0,0,0|2,0,0]=4 3427 B12R1.24 CNC(=O)c1cccc(c1F)F 11a_106832991635_100000748134 [1,1,0,0,0,0|2,0,0]=4 3428 B12R1.24 CNC(=O)c1cccc(c1F)F 1626a_100102657272_100000748134 [1,1,0,0,0,0|2,0,0]=4 3429 B12R1.24 CNC(=O)c1cccc(c1F)F 240690a_100102657272_100000748134 [1,1,0,0,0,0|2,0,0]=4 3430 B12R1.24 CNC(=O)c1cccc(c1F)F 527a_100102657272_100000748134 [1,1,0,0,0,0|2,0,0]=4 3431 B12R1.24 CNC(=O)c1cccc(c1F)I 11a_106832991635_100010185205 [1,1,0,0,0,0|2,0,0]=4 3432 B12R1.24 CNC(=O)c1cccc(c1F)I 1626a_100102657272_100010185205 [1,1,0,0,0,0|2,0,0]=4 3433 B12R1.24 CNC(=O)c1cccc(c1F)I 240690a_100102657272_100010185205 [1,1,0,0,0,0|2,0,0]=4 3434 B12R1.24 CNC(=O)c1cccc(c1F)I 527a_100102657272_100010185205 [1,1,0,0,0,0|2,0,0]=4 3435 B12R1.24 CNC(=O)c1cccc(c1F)O 240690a_100102657272_100000037433 [1,1,0,0,0,0|2,0,0]=4 3436 B12R1.24 CNC(=O)c1cccc(c1F)O 527a_100102657272_100000037433 [1,1,0,0,0,0|2,0,0]=4 3437 B12R1.24 CNC(=O)c1cccc(c1I)Br 11a_106832991635_100000688019 [1,1,0,0,0,0|2,0,0]=4 3438 B12R1.24 CNC(=O)c1cccc(c1I)Br 1626a_100102657272_100000688019 [1,1,0,0,0,0|2,0,0]=4 3439 B12R1.24 CNC(=O)c1cccc(c1I)Br 240690a_100102657272_100000688019 [1,1,0,0,0,0|2,0,0]=4 3440 B12R1.24 CNC(=O)c1cccc(c1I)Br 527a_100102657272_100000688019 [1,1,0,0,0,0|2,0,0]=4 3441 B12R1.24 CNC(=O)c1cccc(c1I)C 11a_106832991635_100000739377 [1,1,0,0,0,0|2,0,0]=4 3442 B12R1.24 CNC(=O)c1cccc(c1I)C 1626a_100102657272_100000739377 [1,1,0,0,0,0|2,0,0]=4 3443 B12R1.24 CNC(=O)c1cccc(c1I)C 240690a_100102657272_100000739377 [1,1,0,0,0,0|2,0,0]=4 3444 B12R1.24 CNC(=O)c1cccc(c1I)C 527a_100102657272_100000739377 [1,1,0,0,0,0|2,0,0]=4 3445 B12R1.24 CNC(=O)c1cccc(c1I)Cl 11a_106832991635_100010176784 [1,1,0,0,0,0|2,0,0]=4 3446 B12R1.24 CNC(=O)c1cccc(c1I)Cl 1626a_100102657272_100010176784 [1,1,0,0,0,0|2,0,0]=4 3447 B12R1.24 CNC(=O)c1cccc(c1I)Cl 240690a_100102657272_100010176784 [1,1,0,0,0,0|2,0,0]=4 3448 B12R1.24 CNC(=O)c1cccc(c1I)Cl 527a_100102657272_100010176784 [1,1,0,0,0,0|2,0,0]=4 3449 B12R1.24 CNC(=O)c1cccc(c1I)F 11a_106832991635_100000690930 [1,1,0,0,0,0|2,0,0]=4 3450 B12R1.24 CNC(=O)c1cccc(c1I)F 1626a_100102657272_100000690930 [1,1,0,0,0,0|2,0,0]=4 3451 B12R1.24 CNC(=O)c1cccc(c1I)F 240690a_100102657272_100000690930 [1,1,0,0,0,0|2,0,0]=4 3452 B12R1.24 CNC(=O)c1cccc(c1I)F 527a_100102657272_100000690930 [1,1,0,0,0,0|2,0,0]=4 3453 B12R1.24 CNC(=O)c1cccc(c1I)O 527a_100102657272_100010084636 [1,1,0,0,0,0|2,0,0]=4 3454 B12R1.24 CNC(=O)c1cccc(c1O)Br 240690a_100102657272_100000752940 [1,1,0,0,0,0|1,0,0]=3 3455 B12R1.24 CNC(=O)c1cccc(c1O)Br 527a_100102657272_100000752940 [1,1,0,0,0,0|1,0,0]=3 3456 B12R1.24 CNC(=O)c1cccc(c1O)C 240690a_100102657272_100000183896 [1,1,0,0,0,0|1,0,0]=3 3457 B12R1.24 CNC(=O)c1cccc(c1O)C 527a_100102657272_100000183896 [1,1,0,0,0,0|1,0,0]=3 3458 B12R1.24 CNC(=O)c1cccc(c1O)Cl 240690a_100102657272_100000742801 [1,1,0,0,0,0|1,0,0]=3 3459 B12R1.24 CNC(=O)c1cccc(c1O)Cl 527a_100102657272_100000742801 [1,1,0,0,0,0|1,0,0]=3 3460 B12R1.24 CNC(=O)c1cccc(c1O)F 240690a_100102657272_100011217230 [1,1,0,0,0,0|1,0,0]=3 3461 B12R1.24 CNC(=O)c1cccc(c1O)F 527a_100102657272_100011217230 [1,1,0,0,0,0|1,0,0]=3 3462 B12R1.24 CNC(=O)c1cccc(c1O)O 527a_100102657272_100000690420 [1,1,0,0,0,0|1,0,0]=3 3463 B12R1.24 COC(=O)c1c[nH]cc(c1=O)O 271570a_203496583355_100010873956 [1,1,0,0,0,0|1,0,1]=4 3464 B12R1.24 COC(=O)c1cccc(c1Br)O 271570a_203496583355_100010240208 [1,1,0,0,0,0|1,0,0]=3 3465 B12R1.24 COC(=O)c1cccc(c1C)O 271570a_203496583355_100012298220 [1,1,0,0,0,0|0,0,0]=2 3466 B12R1.24 COC(=O)c1cccc(c1F)O 271570a_203496583355_100012355674 [1,1,0,0,0,0|1,0,0]=3 3467 B12R1.24 COC(=O)c1cccc(c1N)O 271570a_203496583355_100011356556 [1,1,0,0,0,0|1,0,0]=3 3468 B12R1.24 COC(=O)c1cccc(c1O)Br 271570a_203496583355_100010150843 [1,1,0,0,0,0|0,0,0]=2 3469 B12R1.24 COC(=O)c1cccc(c1O)C 271570a_203496583355_100012002529 [1,1,0,0,0,0|0,0,0]=2 3470 B12R1.24 COC(=O)c1cccc(c1O)F 271570a_203496583355_100012357630 [1,1,0,0,0,0|0,0,0]=2 3471 B12R1.24 COC(=O)c1cccc(c1O)N 271570a_203496583355_100000719424 [1,1,0,0,0,0|0,0,0]=2 3472 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_100009816214 [1,1,0,0,0,0|0,0,0]=2 3473 B12R1.24 COC(=O)c1cccc(c1O)O 271570a_203496583355_200010230364 [1,1,0,0,0,0|0,0,0]=2 3474 B12R1.24 COC(=O)c1ccnc(c1C)O 271570a_203496583355_100000087782 [1,1,0,0,0,0|1,0,0]=3 3475 B12R1.24 COC(=O)c1ccnc(c1F)O 271570a_203496583355_100000081818 [1,1,0,0,0,0|2,0,0]=4 3476 B12R1.24 COC(=O)c1ccnc(c1N)O 271570a_203496583355_100000067308 [1,1,0,0,0,0|2,0,0]=4 3477 B12R1.24 COC(=O)c1cncc(c1C)O 271570a_203496583355_100010713144 [1,1,0,0,0,0|1,0,0]=3 3478 B12R1.24 COC(=O)c1nccc(c1C)O 271570a_203496583355_100000094583 [1,1,0,0,0,0|1,0,0]=3 3479 B12R1.24 COC(=O)c1nccc(c1F)O 271570a_203496583355_100000687924 [1,1,0,0,0,0|2,0,0]=4 3480 B12R1.24 COC(C)c1cccc(c1C)C 34a_100138415774_100012183177 [1,1,0,0,0,0|1,0,1]=4 3481 B12R1.24 Cc1c(cccc1C(=O)CF)Br 1458a_100000760464_100015361967 [1,1,0,0,0,0|2,0,0]=4 3482 B12R1.24 Cc1c(cccc1C(=O)CF)Cl 1458a_100000690184_100015361967 [1,1,0,0,0,0|2,0,0]=4 3483 B12R1.24 Cc1c(cccc1C(=O)CF)F 1458a_100011218272_100015361967 [1,1,0,0,0,0|2,0,0]=4 3484 B12R1.24 Cc1c(cccc1C(=O)CF)I 1458a_100000751865_100015361967 [1,1,0,0,0,0|2,0,0]=4 3485 B12R1.24 Cc1c(cccc1C(=O)CF)O 1458a_100000766327_100015361967 [1,1,0,0,0,0|2,0,0]=4 3486 B12R1.24 Cc1c(cccc1C(=O)NN)O 271570a_203496583355_200012298103 [1,1,0,0,0,0|2,0,0]=4 3487 B12R1.24 Cc1cccc(c1C)C(=O)CF 1458a_100000183679_100015361967 [1,1,0,0,0,0|2,0,0]=4 3488 B12R1.24 Cc1cccc(c1O)C(=O)CF 1458a_100000183896_100015361967 [1,1,0,0,0,0|2,0,0]=4 3489 B12R1.24 O=C(CF)c1cccc(c1O)Br 1458a_100000752940_100015361967 [1,1,0,0,0,0|2,0,0]=4 3490 B12R1.24 O=C(CF)c1cccc(c1O)Cl 1458a_100000742801_100015361967 [1,1,0,0,0,0|2,0,0]=4 3491 B12R1.24 O=C(CF)c1cccc(c1O)F 1458a_100011217230_100015361967 [1,1,0,0,0,0|2,0,0]=4 3492 B12R1.24 O=C(CF)c1cccc(c1O)O 1458a_100000690420_100015361967 [1,1,0,0,0,0|2,0,0]=4 3493 B12R1.124 CC(=C(C)c1ccccc1C)C 271570a_200000049429_100000210755 [1,1,0,0,0,0|2,0,0]=4 3494 B12R1.124 CC(=C(C)c1ccccc1O)C 271570a_200000049429_100000739446 [1,1,0,0,0,0|2,0,0]=4 3495 B12R1.124 CC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000210206 [1,1,0,0,0,0|2,0,0]=4 3496 B12R1.124 CC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000210206 [1,1,0,0,0,0|2,0,0]=4 3497 B12R1.124 CC(C)C(=O)c1ccccc1F 1458a_100000188656_100000210206 [1,1,0,0,0,0|2,0,0]=4 3498 B12R1.124 CC(C)C(=O)c1ccccc1I 1458a_100000187884_100000210206 [1,1,0,0,0,0|2,0,0]=4 3499 B12R1.124 CC(C)C(=O)c1ccccc1O 1458a_100015234032_100000210206 [1,1,0,0,0,0|1,0,0]=3 3500 B12R1.124 CC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000210206 [1,1,0,0,0,0|1,0,1]=4 3501 B12R1.124 CN(C)C(=O)c1ccccc1Br 11a_100102631434_100000188424 [1,1,0,0,0,0|2,0,0]=4 3502 B12R1.124 CN(C)C(=O)c1ccccc1Br 1626a_100102631434_100000188424 [1,1,0,0,0,0|2,0,0]=4 3503 B12R1.124 CN(C)C(=O)c1ccccc1Br 240690a_100102631434_100000188424 [1,1,0,0,0,0|2,0,0]=4 3504 B12R1.124 CN(C)C(=O)c1ccccc1Br 527a_100102631434_100000188424 [1,1,0,0,0,0|2,0,0]=4 3505 B12R1.124 CN(C)C(=O)c1ccccc1Cl 11a_100102631434_100000185844 [1,1,0,0,0,0|2,0,0]=4 3506 B12R1.124 CN(C)C(=O)c1ccccc1Cl 1626a_100102631434_100000185844 [1,1,0,0,0,0|2,0,0]=4 3507 B12R1.124 CN(C)C(=O)c1ccccc1Cl 240690a_100102631434_100000185844 [1,1,0,0,0,0|2,0,0]=4 3508 B12R1.124 CN(C)C(=O)c1ccccc1Cl 527a_100102631434_100000185844 [1,1,0,0,0,0|2,0,0]=4 3509 B12R1.124 CN(C)C(=O)c1ccccc1F 11a_100102631434_100000188656 [1,1,0,0,0,0|2,0,0]=4 3510 B12R1.124 CN(C)C(=O)c1ccccc1F 1626a_100102631434_100000188656 [1,1,0,0,0,0|2,0,0]=4 3511 B12R1.124 CN(C)C(=O)c1ccccc1F 240690a_100102631434_100000188656 [1,1,0,0,0,0|2,0,0]=4 3512 B12R1.124 CN(C)C(=O)c1ccccc1F 527a_100102631434_100000188656 [1,1,0,0,0,0|2,0,0]=4 3513 B12R1.124 CN(C)C(=O)c1ccccc1I 11a_100102631434_100000187884 [1,1,0,0,0,0|2,0,0]=4 3514 B12R1.124 CN(C)C(=O)c1ccccc1I 1626a_100102631434_100000187884 [1,1,0,0,0,0|2,0,0]=4 3515 B12R1.124 CN(C)C(=O)c1ccccc1I 240690a_100102631434_100000187884 [1,1,0,0,0,0|2,0,0]=4 3516 B12R1.124 CN(C)C(=O)c1ccccc1I 527a_100102631434_100000187884 [1,1,0,0,0,0|2,0,0]=4 3517 B12R1.124 CN(C)C(=O)c1ccccc1O 240690a_100102631434_100015234032 [1,1,0,0,0,0|1,0,0]=3 3518 B12R1.124 CN(C)C(=O)c1ccccc1O 271570a_203496583355_100000159526 [1,1,0,0,0,0|1,0,0]=3 3519 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 1626a_100102631434_100009911694 [1,1,0,0,0,0|1,0,1]=4 3520 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 240690a_100102631434_100009911694 [1,1,0,0,0,0|1,0,1]=4 3521 B12R1.124 CN(C)C(=O)c1ccccc1[O-] 527a_100102631434_100009911694 [1,1,0,0,0,0|1,0,1]=4 3522 B12R1.124 CN(C)C(=O)c1cccnc1O 271570a_203496583355_100000159563 [1,1,0,0,0,0|2,0,0]=4 3523 B12R1.124 Cc1ccccc1C(=O)C(C)C 1458a_100000212026_100000210206 [1,1,0,0,0,0|1,0,0]=3 3524 B12R1.124 Cc1ccccc1C(=O)N(C)C 11a_100102631434_100000212026 [1,1,0,0,0,0|1,0,0]=3 3525 B12R1.124 Cc1ccccc1C(=O)N(C)C 1626a_100102631434_100000212026 [1,1,0,0,0,0|1,0,0]=3 3526 B12R1.124 Cc1ccccc1C(=O)N(C)C 240690a_100102631434_100000212026 [1,1,0,0,0,0|1,0,0]=3 3527 B12R1.124 Cc1ccccc1C(=O)N(C)C 527a_100102631434_100000212026 [1,1,0,0,0,0|1,0,0]=3 3528 B12R1.195 CNS(=O)(=O)c1ccccc1C 270084a_100102657272_100000750907 [1,1,0,0,0,0|2,0,0]=4 3529 B12R1.195 CNS(=O)(=O)c1ccccc1C 274078a_100102657272_100000750907 [1,1,0,0,0,0|2,0,0]=4 3530 B12R1.195 CNS(=O)(=O)c1ccccc1C 40a_100102657272_100010269479 [1,1,0,0,0,0|2,0,0]=4 3531 B12R1.195 CNS(=O)(=O)c1ccccc1O 271570a_203496583355_200000165157 [1,1,0,0,0,0|2,0,0]=4 3532 B12R1.243 COC(OC)c1ccccc1O 271570a_203496583355_100010185899 [1,1,0,0,0,0|0,0,2]=4 3533 B12R1.308 C#CCC(=O)c1ccccc1C 1458a_100000212026_100000184674 [1,1,0,0,0,0|1,0,1]=4 3534 B12R1.308 C#CCC(=O)c1ccccc1O 1458a_100015234032_100000184674 [1,1,0,0,0,0|1,0,1]=4 3535 B12R1.308 C=CCC(=O)c1ccccc1C 1458a_100000212026_100000210623 [1,1,0,0,0,0|1,0,1]=4 3536 B12R1.308 C=CCC(=O)c1ccccc1O 1458a_100015234032_100000210623 [1,1,0,0,0,0|1,0,1]=4 3537 B12R1.308 CCCC(=O)c1ccccc1Br 1458a_100000188424_100000210303 [1,1,0,0,0,0|2,0,0]=4 3538 B12R1.308 CCCC(=O)c1ccccc1C 1458a_100000212026_100000210303 [1,1,0,0,0,0|1,0,0]=3 3539 B12R1.308 CCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210303 [1,1,0,0,0,0|2,0,0]=4 3540 B12R1.308 CCCC(=O)c1ccccc1F 1458a_100000188656_100000210303 [1,1,0,0,0,0|2,0,0]=4 3541 B12R1.308 CCCC(=O)c1ccccc1I 1458a_100000187884_100000210303 [1,1,0,0,0,0|2,0,0]=4 3542 B12R1.308 CCCC(=O)c1ccccc1O 1458a_100015234032_100000210303 [1,1,0,0,0,0|1,0,0]=3 3543 B12R1.308 CCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210303 [1,1,0,0,0,0|1,0,1]=4 3544 B12R1.308 CCNC(=O)c1ccccc1Br 11a_100015525214_100000188424 [1,1,0,0,0,0|2,0,0]=4 3545 B12R1.308 CCNC(=O)c1ccccc1Br 240690a_100015525214_100000188424 [1,1,0,0,0,0|2,0,0]=4 3546 B12R1.308 CCNC(=O)c1ccccc1Br 527a_100015525214_100000188424 [1,1,0,0,0,0|2,0,0]=4 3547 B12R1.308 CCNC(=O)c1ccccc1C 11a_100015525214_100000212026 [1,1,0,0,0,0|1,0,0]=3 3548 B12R1.308 CCNC(=O)c1ccccc1C 240690a_100015525214_100000212026 [1,1,0,0,0,0|1,0,0]=3 3549 B12R1.308 CCNC(=O)c1ccccc1C 527a_100015525214_100000212026 [1,1,0,0,0,0|1,0,0]=3 3550 B12R1.308 CCNC(=O)c1ccccc1Cl 11a_100015525214_100000185844 [1,1,0,0,0,0|2,0,0]=4 3551 B12R1.308 CCNC(=O)c1ccccc1Cl 240690a_100015525214_100000185844 [1,1,0,0,0,0|2,0,0]=4 3552 B12R1.308 CCNC(=O)c1ccccc1Cl 527a_100015525214_100000185844 [1,1,0,0,0,0|2,0,0]=4 3553 B12R1.308 CCNC(=O)c1ccccc1F 11a_100015525214_100000188656 [1,1,0,0,0,0|2,0,0]=4 3554 B12R1.308 CCNC(=O)c1ccccc1F 240690a_100015525214_100000188656 [1,1,0,0,0,0|2,0,0]=4 3555 B12R1.308 CCNC(=O)c1ccccc1F 527a_100015525214_100000188656 [1,1,0,0,0,0|2,0,0]=4 3556 B12R1.308 CCNC(=O)c1ccccc1I 11a_100015525214_100000187884 [1,1,0,0,0,0|2,0,0]=4 3557 B12R1.308 CCNC(=O)c1ccccc1I 240690a_100015525214_100000187884 [1,1,0,0,0,0|2,0,0]=4 3558 B12R1.308 CCNC(=O)c1ccccc1I 527a_100015525214_100000187884 [1,1,0,0,0,0|2,0,0]=4 3559 B12R1.308 CCNC(=O)c1ccccc1O 240690a_100015525214_100015234032 [1,1,0,0,0,0|1,0,0]=3 3560 B12R1.308 CCNC(=O)c1ccccc1O 271570a_203496583355_200000155173 [1,1,0,0,0,0|1,0,0]=3 3561 B12R1.308 CCNC(=O)c1ccccc1[O-] 240690a_100015525214_100009911694 [1,1,0,0,0,0|1,0,1]=4 3562 B12R1.308 CCNC(=O)c1ccccc1[O-] 527a_100015525214_100009911694 [1,1,0,0,0,0|1,0,1]=4 3563 B12R1.308 CCNC(=O)c1cccnc1O 271570a_203496583355_100000160120 [1,1,0,0,0,0|2,0,0]=4 3564 B12R1.308 CCOC(=O)c1ccccc1O 271570a_203496583355_100000169879 [1,1,0,0,0,0|0,0,0]=2 3565 B12R1.308 CCOC(=O)c1cccnc1O 271570a_203496583355_100000170124 [1,1,0,0,0,0|1,0,0]=3 3566 B12R1.308 CCOC(=O)c1ccncc1O 271570a_203496583355_100010238393 [1,1,0,0,0,0|1,0,0]=3 3567 B12R1.308 CCOC(=O)c1cnccc1O 271570a_203496583355_100016987518 [1,1,0,0,0,0|1,0,0]=3 3568 B12R1.308 CCOC(=O)c1cncnc1O 271570a_203496583355_100011998183 [1,1,0,0,0,0|2,0,0]=4 3569 B12R1.308 CCOC(=O)c1ncccc1O 271570a_203496583355_100012351660 [1,1,0,0,0,0|1,0,0]=3 3570 B12R1.308 CCOC(=O)c1ncncc1O 271570a_203496583355_100012344254 [1,1,0,0,0,0|2,0,0]=4 3571 B12R1.308 CCOC(C)c1ccccc1C 34a_100000742021_100000210202 [1,1,0,0,0,0|1,0,1]=4 3572 B12R1.308 CCOC(C)c1ccccc1C 7a_100000742021_100000210202 [1,1,0,0,0,0|1,0,1]=4 3573 B12R1.308 CNCC(=O)c1ccccc1Br 34a_100102657272_100000199116 [1,1,0,0,0,0|2,0,0]=4 3574 B12R1.308 CNCC(=O)c1ccccc1C 2230a_106832991635_100000741374 [1,1,0,0,0,0|1,0,0]=3 3575 B12R1.308 CNCC(=O)c1ccccc1C 34a_100102657272_100000741374 [1,1,0,0,0,0|1,0,0]=3 3576 B12R1.308 CNCC(=O)c1ccccc1C 7a_106832991635_100000741374 [1,1,0,0,0,0|1,0,0]=3 3577 B12R1.308 CNCC(=O)c1ccccc1Cl 34a_100102657272_100000211432 [1,1,0,0,0,0|2,0,0]=4 3578 B12R1.308 CNCC(=O)c1ccccc1F 34a_100102657272_100000204681 [1,1,0,0,0,0|2,0,0]=4 3579 B12R1.308 CNCC(=O)c1ccccc1F 7a_106832991635_100000204681 [1,1,0,0,0,0|2,0,0]=4 3580 B12R1.308 CNCC(=O)c1ccccc1O 7a_106832991635_100000188908 [1,1,0,0,0,0|1,0,0]=3 3581 B12R1.308 CNNC(=O)c1ccccc1Br 22a_100016993582_100000188424 [1,1,0,0,0,0|2,0,0]=4 3582 B12R1.308 CNNC(=O)c1ccccc1C 22a_100016993582_100000212026 [1,1,0,0,0,0|1,0,0]=3 3583 B12R1.308 CNNC(=O)c1ccccc1Cl 22a_100016993582_100000185844 [1,1,0,0,0,0|2,0,0]=4 3584 B12R1.308 CNNC(=O)c1ccccc1F 22a_100016993582_100000188656 [1,1,0,0,0,0|2,0,0]=4 3585 B12R1.308 CNNC(=O)c1ccccc1I 22a_100016993582_100000187884 [1,1,0,0,0,0|2,0,0]=4 3586 B12R1.308 CNNC(=O)c1ccccc1O 22a_100016993582_100015234032 [1,1,0,0,0,0|1,0,0]=3 3587 B12R1.308 CNNC(=O)c1ccccc1[O-] 22a_100016993582_100009911694 [1,1,0,0,0,0|1,0,1]=4 3588 B12R1.308 COCC(=O)c1ccccc1Br 34a_100138415774_100000199116 [1,1,0,0,0,0|1,0,0]=3 3589 B12R1.308 COCC(=O)c1ccccc1C 34a_100138415774_100000741374 [1,1,0,0,0,0|0,0,0]=2 3590 B12R1.308 COCC(=O)c1ccccc1Cl 34a_100138415774_100000211432 [1,1,0,0,0,0|1,0,0]=3 3591 B12R1.308 COCC(=O)c1ccccc1F 34a_100138415774_100000204681 [1,1,0,0,0,0|1,0,0]=3 3592 B12R1.308 COCN(C)c1ccccc1C 2230a_100000219699_100000766300 [1,1,0,0,0,0|2,0,0]=4 3593 B12R1.308 COCN(C)c1ccccc1C 269982a_100000219699_100000766300 [1,1,0,0,0,0|2,0,0]=4 3594 B12R1.308 COCN(C)c1ccccc1O 269982a_100000033821_100000766300 [1,1,0,0,0,0|2,0,0]=4 3595 B12R1.308 CSCC(=O)c1ccccc1Br 62a_100000199116_200000210301 [1,1,0,0,0,0|1,1,0]=4 3596 B12R1.308 CSCC(=O)c1ccccc1C 62a_100000741374_200000210301 [1,1,0,0,0,0|0,1,0]=3 3597 B12R1.308 CSCC(=O)c1ccccc1C 62a_200000210301_100000741374 [1,1,0,0,0,0|0,1,0]=3 3598 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_100000211432_200000210301 [1,1,0,0,0,0|1,1,0]=4 3599 B12R1.308 CSCC(=O)c1ccccc1Cl 62a_200000210301_100000211432 [1,1,0,0,0,0|1,1,0]=4 3600 B12R1.308 CSCC(=O)c1ccccc1F 62a_100000204681_200000210301 [1,1,0,0,0,0|1,1,0]=4 3601 B12R1.308 CSCC(=O)c1ccccc1F 62a_200000210301_100000204681 [1,1,0,0,0,0|1,1,0]=4 3602 B12R1.308 CSCC(=O)c1ccccc1O 62a_100000188908_200000210301 [1,1,0,0,0,0|0,1,0]=3 3603 B12R1.308 CSCC(=O)c1ccccc1O 62a_200000210301_100000188908 [1,1,0,0,0,0|0,1,0]=3 3604 B12R1.308 Cc1ccccc1C(=O)CC#N 1458a_100000212026_100011214920 [1,1,0,0,0,0|1,0,1]=4 3605 B12R1.308 Cc1ccccc1C(=O)CCF 1458a_100000212026_100011217306 [1,1,0,0,0,0|1,0,0]=3 3606 B12R1.308 Cc1ccccc1C(=O)CCO 1458a_100000212026_100000211926 [1,1,0,0,0,0|1,0,0]=3 3607 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_100000741374_200025704644 [1,1,0,0,0,0|0,1,0]=3 3608 B12R1.308 Cc1ccccc1C(=O)CS[13CH3] 62a_200025704644_100000741374 [1,1,0,0,0,0|0,1,0]=3 3609 B12R1.308 Cc1ccccc1C(C)OCF 34a_100000742021_100015361967 [1,1,0,0,0,0|1,0,1]=4 3610 B12R1.308 Cc1ccccc1C(C)OCF 7a_100000742021_100015361967 [1,1,0,0,0,0|1,0,1]=4 3611 B12R1.308 N#CCC(=O)c1ccccc1O 1458a_100015234032_100011214920 [1,1,0,0,0,0|1,0,1]=4 3612 B12R1.308 N#CCC(=O)c1ccccc1O 271570a_203496583355_100011225204 [1,1,0,0,0,0|1,0,1]=4 3613 B12R1.308 O=C(CCF)c1ccccc1Br 1458a_100000188424_100011217306 [1,1,0,0,0,0|2,0,0]=4 3614 B12R1.308 O=C(CCF)c1ccccc1Cl 1458a_100000185844_100011217306 [1,1,0,0,0,0|2,0,0]=4 3615 B12R1.308 O=C(CCF)c1ccccc1F 1458a_100000188656_100011217306 [1,1,0,0,0,0|2,0,0]=4 3616 B12R1.308 O=C(CCF)c1ccccc1I 1458a_100000187884_100011217306 [1,1,0,0,0,0|2,0,0]=4 3617 B12R1.308 O=C(CCF)c1ccccc1O 1458a_100015234032_100011217306 [1,1,0,0,0,0|1,0,0]=3 3618 B12R1.308 O=C(CCF)c1ccccc1[O-] 1458a_100009911694_100011217306 [1,1,0,0,0,0|1,0,1]=4 3619 B12R1.308 O=C(CCO)c1ccccc1Br 1458a_100000188424_100000211926 [1,1,0,0,0,0|2,0,0]=4 3620 B12R1.308 O=C(CCO)c1ccccc1Cl 1458a_100000185844_100000211926 [1,1,0,0,0,0|2,0,0]=4 3621 B12R1.308 O=C(CCO)c1ccccc1F 1458a_100000188656_100000211926 [1,1,0,0,0,0|2,0,0]=4 3622 B12R1.308 O=C(CCO)c1ccccc1I 1458a_100000187884_100000211926 [1,1,0,0,0,0|2,0,0]=4 3623 B12R1.308 O=C(CCO)c1ccccc1O 1458a_100015234032_100000211926 [1,1,0,0,0,0|1,0,0]=3 3624 B12R1.308 O=C(CCO)c1ccccc1[O-] 1458a_100009911694_100000211926 [1,1,0,0,0,0|1,0,1]=4 3625 B12R1.308 [13CH3]SCC(=O)c1ccccc1Br 62a_100000199116_200025704644 [1,1,0,0,0,0|1,1,0]=4 3626 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_100000211432_200025704644 [1,1,0,0,0,0|1,1,0]=4 3627 B12R1.308 [13CH3]SCC(=O)c1ccccc1Cl 62a_200025704644_100000211432 [1,1,0,0,0,0|1,1,0]=4 3628 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_100000204681_200025704644 [1,1,0,0,0,0|1,1,0]=4 3629 B12R1.308 [13CH3]SCC(=O)c1ccccc1F 62a_200025704644_100000204681 [1,1,0,0,0,0|1,1,0]=4 3630 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_100000188908_200025704644 [1,1,0,0,0,0|0,1,0]=3 3631 B12R1.308 [13CH3]SCC(=O)c1ccccc1O 62a_200025704644_100000188908 [1,1,0,0,0,0|0,1,0]=3 3632 B12R1.354 CCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210202 [1,1,0,0,0,0|2,0,0]=4 3633 B12R1.354 CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210202 [1,1,0,0,0,0|2,0,0]=4 3634 B12R1.354 CCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210202 [1,1,0,0,0,0|2,0,0]=4 3635 B12R1.354 CCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210202 [1,1,0,0,0,0|2,0,0]=4 3636 B12R1.354 CCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210202 [1,1,0,0,0,0|2,0,0]=4 3637 B12R1.354 CCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210202 [1,1,0,0,0,0|2,0,0]=4 3638 B12R1.354 CCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210202 [1,1,0,0,0,0|1,0,0]=3 3639 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [1,1,0,0,0,0|1,0,0]=3 3640 B12R1.354 CCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210202 [1,1,0,0,0,0|1,0,0]=3 3641 B12R1.354 CCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210202 [1,1,0,0,0,0|1,0,0]=3 3642 B12R1.354 CCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210202 [1,1,0,0,0,0|1,0,0]=3 3643 B12R1.354 CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210202 [1,1,0,0,0,0|1,0,0]=3 3644 B12R1.354 CCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210202 [1,1,0,0,0,0|2,0,0]=4 3645 B12R1.354 CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210202 [1,1,0,0,0,0|2,0,0]=4 3646 B12R1.354 CCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210202 [1,1,0,0,0,0|2,0,0]=4 3647 B12R1.354 CCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210202 [1,1,0,0,0,0|2,0,0]=4 3648 B12R1.354 CCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210202 [1,1,0,0,0,0|2,0,0]=4 3649 B12R1.354 CCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210202 [1,1,0,0,0,0|2,0,0]=4 3650 B12R1.354 CCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210202 [1,1,0,0,0,0|2,0,0]=4 3651 B12R1.354 CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210202 [1,1,0,0,0,0|2,0,0]=4 3652 B12R1.354 CCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210202 [1,1,0,0,0,0|2,0,0]=4 3653 B12R1.354 CCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210202 [1,1,0,0,0,0|2,0,0]=4 3654 B12R1.354 CCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210202 [1,1,0,0,0,0|2,0,0]=4 3655 B12R1.354 CCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210202 [1,1,0,0,0,0|2,0,0]=4 3656 B12R1.354 CCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210202 [1,1,0,0,0,0|2,0,0]=4 3657 B12R1.354 CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210202 [1,1,0,0,0,0|2,0,0]=4 3658 B12R1.354 CCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210202 [1,1,0,0,0,0|2,0,0]=4 3659 B12R1.354 CCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210202 [1,1,0,0,0,0|2,0,0]=4 3660 B12R1.354 CCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210202 [1,1,0,0,0,0|2,0,0]=4 3661 B12R1.354 CCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210202 [1,1,0,0,0,0|2,0,0]=4 3662 B12R1.354 CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210202 [1,1,0,0,0,0|1,0,0]=3 3663 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [1,1,0,0,0,0|1,0,0]=3 3664 B12R1.354 CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210202 [1,1,0,0,0,0|1,0,0]=3 3665 B12R1.354 CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210202 [1,1,0,0,0,0|1,0,0]=3 3666 B12R1.354 CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210202 [1,1,0,0,0,0|1,0,0]=3 3667 B12R1.354 CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210202 [1,1,0,0,0,0|1,0,0]=3 3668 B12R1.354 CCC(=O)c1cc(ccc1O)O 271570a_203496583355_100000183607 [1,1,0,0,0,0|1,0,0]=3 3669 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 11a_106832991635_100000690610 [1,1,0,0,0,0|2,0,0]=4 3670 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 1626a_100102657272_100000690610 [1,1,0,0,0,0|2,0,0]=4 3671 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 240690a_100102657272_100000690610 [1,1,0,0,0,0|2,0,0]=4 3672 B12R1.354 CNC(=O)c1cc(ccc1Br)Br 527a_100102657272_100000690610 [1,1,0,0,0,0|2,0,0]=4 3673 B12R1.354 CNC(=O)c1cc(ccc1Br)C 11a_106832991635_100000689033 [1,1,0,0,0,0|2,0,0]=4 3674 B12R1.354 CNC(=O)c1cc(ccc1Br)C 1626a_100102657272_100000689033 [1,1,0,0,0,0|2,0,0]=4 3675 B12R1.354 CNC(=O)c1cc(ccc1Br)C 240690a_100102657272_100000689033 [1,1,0,0,0,0|2,0,0]=4 3676 B12R1.354 CNC(=O)c1cc(ccc1Br)C 527a_100102657272_100000689033 [1,1,0,0,0,0|2,0,0]=4 3677 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 11a_106832991635_100000736951 [1,1,0,0,0,0|2,0,0]=4 3678 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 1626a_100102657272_100000736951 [1,1,0,0,0,0|2,0,0]=4 3679 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 240690a_100102657272_100000736951 [1,1,0,0,0,0|2,0,0]=4 3680 B12R1.354 CNC(=O)c1cc(ccc1Br)Cl 527a_100102657272_100000736951 [1,1,0,0,0,0|2,0,0]=4 3681 B12R1.354 CNC(=O)c1cc(ccc1Br)F 11a_106832991635_100000212315 [1,1,0,0,0,0|2,0,0]=4 3682 B12R1.354 CNC(=O)c1cc(ccc1Br)F 1626a_100102657272_100000212315 [1,1,0,0,0,0|2,0,0]=4 3683 B12R1.354 CNC(=O)c1cc(ccc1Br)F 240690a_100102657272_100000212315 [1,1,0,0,0,0|2,0,0]=4 3684 B12R1.354 CNC(=O)c1cc(ccc1Br)F 527a_100102657272_100000212315 [1,1,0,0,0,0|2,0,0]=4 3685 B12R1.354 CNC(=O)c1cc(ccc1Br)I 11a_106832991635_100000698340 [1,1,0,0,0,0|2,0,0]=4 3686 B12R1.354 CNC(=O)c1cc(ccc1Br)I 1626a_100102657272_100000698340 [1,1,0,0,0,0|2,0,0]=4 3687 B12R1.354 CNC(=O)c1cc(ccc1Br)I 240690a_100102657272_100000698340 [1,1,0,0,0,0|2,0,0]=4 3688 B12R1.354 CNC(=O)c1cc(ccc1Br)I 527a_100102657272_100000698340 [1,1,0,0,0,0|2,0,0]=4 3689 B12R1.354 CNC(=O)c1cc(ccc1Br)O 240690a_100102657272_100012352043 [1,1,0,0,0,0|2,0,0]=4 3690 B12R1.354 CNC(=O)c1cc(ccc1Br)O 527a_100102657272_100012352043 [1,1,0,0,0,0|2,0,0]=4 3691 B12R1.354 CNC(=O)c1cc(ccc1C)Br 11a_106832991635_100000759961 [1,1,0,0,0,0|1,0,0]=3 3692 B12R1.354 CNC(=O)c1cc(ccc1C)Br 1626a_100102657272_100000759961 [1,1,0,0,0,0|1,0,0]=3 3693 B12R1.354 CNC(=O)c1cc(ccc1C)Br 240690a_100102657272_100000759961 [1,1,0,0,0,0|1,0,0]=3 3694 B12R1.354 CNC(=O)c1cc(ccc1C)Br 527a_100102657272_100000759961 [1,1,0,0,0,0|1,0,0]=3 3695 B12R1.354 CNC(=O)c1cc(ccc1C)C 11a_106832991635_100000195421 [1,1,0,0,0,0|1,0,0]=3 3696 B12R1.354 CNC(=O)c1cc(ccc1C)C 1626a_100102657272_100000195421 [1,1,0,0,0,0|1,0,0]=3 3697 B12R1.354 CNC(=O)c1cc(ccc1C)C 240690a_100102657272_100000195421 [1,1,0,0,0,0|1,0,0]=3 3698 B12R1.354 CNC(=O)c1cc(ccc1C)C 527a_100102657272_100000195421 [1,1,0,0,0,0|1,0,0]=3 3699 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 11a_106832991635_100000692595 [1,1,0,0,0,0|1,0,0]=3 3700 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 1626a_100102657272_100000692595 [1,1,0,0,0,0|1,0,0]=3 3701 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 240690a_100102657272_100000692595 [1,1,0,0,0,0|1,0,0]=3 3702 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 527a_100102657272_100000692595 [1,1,0,0,0,0|1,0,0]=3 3703 B12R1.354 CNC(=O)c1cc(ccc1C)F 11a_106832991635_100000240043 [1,1,0,0,0,0|1,0,0]=3 3704 B12R1.354 CNC(=O)c1cc(ccc1C)F 1626a_100102657272_100000240043 [1,1,0,0,0,0|1,0,0]=3 3705 B12R1.354 CNC(=O)c1cc(ccc1C)F 240690a_100102657272_100000240043 [1,1,0,0,0,0|1,0,0]=3 3706 B12R1.354 CNC(=O)c1cc(ccc1C)F 527a_100102657272_100000240043 [1,1,0,0,0,0|1,0,0]=3 3707 B12R1.354 CNC(=O)c1cc(ccc1C)I 11a_106832991635_100000688012 [1,1,0,0,0,0|1,0,0]=3 3708 B12R1.354 CNC(=O)c1cc(ccc1C)I 1626a_100102657272_100000688012 [1,1,0,0,0,0|1,0,0]=3 3709 B12R1.354 CNC(=O)c1cc(ccc1C)I 240690a_100102657272_100000688012 [1,1,0,0,0,0|1,0,0]=3 3710 B12R1.354 CNC(=O)c1cc(ccc1C)I 527a_100102657272_100000688012 [1,1,0,0,0,0|1,0,0]=3 3711 B12R1.354 CNC(=O)c1cc(ccc1C)O 240690a_100102657272_100000687834 [1,1,0,0,0,0|1,0,0]=3 3712 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 11a_106832991635_100000211212 [1,1,0,0,0,0|2,0,0]=4 3713 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 1626a_100102657272_100000211212 [1,1,0,0,0,0|2,0,0]=4 3714 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 240690a_100102657272_100000211212 [1,1,0,0,0,0|2,0,0]=4 3715 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br 527a_100102657272_100000211212 [1,1,0,0,0,0|2,0,0]=4 3716 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 11a_106832991635_100011290873 [1,1,0,0,0,0|2,0,0]=4 3717 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 1626a_100102657272_100011290873 [1,1,0,0,0,0|2,0,0]=4 3718 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 240690a_100102657272_100011290873 [1,1,0,0,0,0|2,0,0]=4 3719 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 527a_100102657272_100011290873 [1,1,0,0,0,0|2,0,0]=4 3720 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 11a_106832991635_100000210642 [1,1,0,0,0,0|2,0,0]=4 3721 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 1626a_100102657272_100000210642 [1,1,0,0,0,0|2,0,0]=4 3722 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 240690a_100102657272_100000210642 [1,1,0,0,0,0|2,0,0]=4 3723 B12R1.354 CNC(=O)c1cc(ccc1Cl)Cl 527a_100102657272_100000210642 [1,1,0,0,0,0|2,0,0]=4 3724 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 11a_106832991635_100011219680 [1,1,0,0,0,0|2,0,0]=4 3725 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 1626a_100102657272_100011219680 [1,1,0,0,0,0|2,0,0]=4 3726 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 240690a_100102657272_100011219680 [1,1,0,0,0,0|2,0,0]=4 3727 B12R1.354 CNC(=O)c1cc(ccc1Cl)F 527a_100102657272_100011219680 [1,1,0,0,0,0|2,0,0]=4 3728 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 11a_106832991635_100000688013 [1,1,0,0,0,0|2,0,0]=4 3729 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 1626a_100102657272_100000688013 [1,1,0,0,0,0|2,0,0]=4 3730 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 240690a_100102657272_100000688013 [1,1,0,0,0,0|2,0,0]=4 3731 B12R1.354 CNC(=O)c1cc(ccc1Cl)I 527a_100102657272_100000688013 [1,1,0,0,0,0|2,0,0]=4 3732 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 240690a_100102657272_100000719527 [1,1,0,0,0,0|2,0,0]=4 3733 B12R1.354 CNC(=O)c1cc(ccc1Cl)O 527a_100102657272_100000719527 [1,1,0,0,0,0|2,0,0]=4 3734 B12R1.354 CNC(=O)c1cc(ccc1F)Br 11a_106832991635_100000212322 [1,1,0,0,0,0|2,0,0]=4 3735 B12R1.354 CNC(=O)c1cc(ccc1F)Br 1626a_100102657272_100000212322 [1,1,0,0,0,0|2,0,0]=4 3736 B12R1.354 CNC(=O)c1cc(ccc1F)Br 240690a_100102657272_100000212322 [1,1,0,0,0,0|2,0,0]=4 3737 B12R1.354 CNC(=O)c1cc(ccc1F)Br 527a_100102657272_100000212322 [1,1,0,0,0,0|2,0,0]=4 3738 B12R1.354 CNC(=O)c1cc(ccc1F)C 11a_106832991635_100000749327 [1,1,0,0,0,0|2,0,0]=4 3739 B12R1.354 CNC(=O)c1cc(ccc1F)C 1626a_100102657272_100000749327 [1,1,0,0,0,0|2,0,0]=4 3740 B12R1.354 CNC(=O)c1cc(ccc1F)C 240690a_100102657272_100000749327 [1,1,0,0,0,0|2,0,0]=4 3741 B12R1.354 CNC(=O)c1cc(ccc1F)C 527a_100102657272_100000749327 [1,1,0,0,0,0|2,0,0]=4 3742 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 11a_106832991635_100000214954 [1,1,0,0,0,0|2,0,0]=4 3743 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 1626a_100102657272_100000214954 [1,1,0,0,0,0|2,0,0]=4 3744 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 240690a_100102657272_100000214954 [1,1,0,0,0,0|2,0,0]=4 3745 B12R1.354 CNC(=O)c1cc(ccc1F)Cl 527a_100102657272_100000214954 [1,1,0,0,0,0|2,0,0]=4 3746 B12R1.354 CNC(=O)c1cc(ccc1F)F 11a_106832991635_100000198512 [1,1,0,0,0,0|2,0,0]=4 3747 B12R1.354 CNC(=O)c1cc(ccc1F)F 1626a_100102657272_100000198512 [1,1,0,0,0,0|2,0,0]=4 3748 B12R1.354 CNC(=O)c1cc(ccc1F)F 240690a_100102657272_100000198512 [1,1,0,0,0,0|2,0,0]=4 3749 B12R1.354 CNC(=O)c1cc(ccc1F)F 527a_100102657272_100000198512 [1,1,0,0,0,0|2,0,0]=4 3750 B12R1.354 CNC(=O)c1cc(ccc1F)I 11a_106832991635_100000688014 [1,1,0,0,0,0|2,0,0]=4 3751 B12R1.354 CNC(=O)c1cc(ccc1F)I 1626a_100102657272_100000688014 [1,1,0,0,0,0|2,0,0]=4 3752 B12R1.354 CNC(=O)c1cc(ccc1F)I 240690a_100102657272_100000688014 [1,1,0,0,0,0|2,0,0]=4 3753 B12R1.354 CNC(=O)c1cc(ccc1F)I 527a_100102657272_100000688014 [1,1,0,0,0,0|2,0,0]=4 3754 B12R1.354 CNC(=O)c1cc(ccc1F)O 240690a_100102657272_100000037260 [1,1,0,0,0,0|2,0,0]=4 3755 B12R1.354 CNC(=O)c1cc(ccc1F)O 271570a_203496583355_100000155058 [1,1,0,0,0,0|2,0,0]=4 3756 B12R1.354 CNC(=O)c1cc(ccc1F)O 527a_100102657272_100000037260 [1,1,0,0,0,0|2,0,0]=4 3757 B12R1.354 CNC(=O)c1cc(ccc1I)Br 11a_106832991635_100000183945 [1,1,0,0,0,0|2,0,0]=4 3758 B12R1.354 CNC(=O)c1cc(ccc1I)Br 1626a_100102657272_100000183945 [1,1,0,0,0,0|2,0,0]=4 3759 B12R1.354 CNC(=O)c1cc(ccc1I)Br 240690a_100102657272_100000183945 [1,1,0,0,0,0|2,0,0]=4 3760 B12R1.354 CNC(=O)c1cc(ccc1I)C 11a_106832991635_100000057929 [1,1,0,0,0,0|2,0,0]=4 3761 B12R1.354 CNC(=O)c1cc(ccc1I)C 1626a_100102657272_100000057929 [1,1,0,0,0,0|2,0,0]=4 3762 B12R1.354 CNC(=O)c1cc(ccc1I)C 240690a_100102657272_100000057929 [1,1,0,0,0,0|2,0,0]=4 3763 B12R1.354 CNC(=O)c1cc(ccc1I)C 527a_100102657272_100000057929 [1,1,0,0,0,0|2,0,0]=4 3764 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 11a_106832991635_100000739379 [1,1,0,0,0,0|2,0,0]=4 3765 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 1626a_100102657272_100000739379 [1,1,0,0,0,0|2,0,0]=4 3766 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 240690a_100102657272_100000739379 [1,1,0,0,0,0|2,0,0]=4 3767 B12R1.354 CNC(=O)c1cc(ccc1I)Cl 527a_100102657272_100000739379 [1,1,0,0,0,0|2,0,0]=4 3768 B12R1.354 CNC(=O)c1cc(ccc1I)F 11a_106832991635_100000748905 [1,1,0,0,0,0|2,0,0]=4 3769 B12R1.354 CNC(=O)c1cc(ccc1I)F 1626a_100102657272_100000748905 [1,1,0,0,0,0|2,0,0]=4 3770 B12R1.354 CNC(=O)c1cc(ccc1I)F 240690a_100102657272_100000748905 [1,1,0,0,0,0|2,0,0]=4 3771 B12R1.354 CNC(=O)c1cc(ccc1I)F 527a_100102657272_100000748905 [1,1,0,0,0,0|2,0,0]=4 3772 B12R1.354 CNC(=O)c1cc(ccc1I)I 11a_106832991635_100000750460 [1,1,0,0,0,0|2,0,0]=4 3773 B12R1.354 CNC(=O)c1cc(ccc1I)I 1626a_100102657272_100000750460 [1,1,0,0,0,0|2,0,0]=4 3774 B12R1.354 CNC(=O)c1cc(ccc1I)I 240690a_100102657272_100000750460 [1,1,0,0,0,0|2,0,0]=4 3775 B12R1.354 CNC(=O)c1cc(ccc1I)I 527a_100102657272_100000750460 [1,1,0,0,0,0|2,0,0]=4 3776 B12R1.354 CNC(=O)c1cc(ccc1I)O 1626a_100102657272_200009995701 [1,1,0,0,0,0|2,0,0]=4 3777 B12R1.354 CNC(=O)c1cc(ccc1I)O 240690a_100102657272_200009995701 [1,1,0,0,0,0|2,0,0]=4 3778 B12R1.354 CNC(=O)c1cc(ccc1I)O 527a_100102657272_200009995701 [1,1,0,0,0,0|2,0,0]=4 3779 B12R1.354 CNC(=O)c1cc(ccc1N)O 271570a_203496583355_100000690504 [1,1,0,0,0,0|2,0,0]=4 3780 B12R1.354 CNC(=O)c1cc(ccc1O)Br 1626a_100102657272_100000212140 [1,1,0,0,0,0|1,0,0]=3 3781 B12R1.354 CNC(=O)c1cc(ccc1O)Br 240690a_100102657272_100000212140 [1,1,0,0,0,0|1,0,0]=3 3782 B12R1.354 CNC(=O)c1cc(ccc1O)Br 527a_100102657272_100000212140 [1,1,0,0,0,0|1,0,0]=3 3783 B12R1.354 CNC(=O)c1cc(ccc1O)C 240690a_100102657272_100000229998 [1,1,0,0,0,0|1,0,0]=3 3784 B12R1.354 CNC(=O)c1cc(ccc1O)C 527a_100102657272_100000229998 [1,1,0,0,0,0|1,0,0]=3 3785 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 11a_106832991635_100000212143 [1,1,0,0,0,0|1,0,0]=3 3786 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 1626a_100102657272_100000212143 [1,1,0,0,0,0|1,0,0]=3 3787 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 240690a_100102657272_100000212143 [1,1,0,0,0,0|1,0,0]=3 3788 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 271570a_203496583355_200011279454 [1,1,0,0,0,0|1,0,0]=3 3789 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 527a_100102657272_100000212143 [1,1,0,0,0,0|1,0,0]=3 3790 B12R1.354 CNC(=O)c1cc(ccc1O)F 240690a_100102657272_100000742286 [1,1,0,0,0,0|1,0,0]=3 3791 B12R1.354 CNC(=O)c1cc(ccc1O)F 271570a_203496583355_200000206232 [1,1,0,0,0,0|1,0,0]=3 3792 B12R1.354 CNC(=O)c1cc(ccc1O)F 527a_100102657272_100000742286 [1,1,0,0,0,0|1,0,0]=3 3793 B12R1.354 CNC(=O)c1cc(ccc1O)I 240690a_100102657272_100000212111 [1,1,0,0,0,0|1,0,0]=3 3794 B12R1.354 CNC(=O)c1cc(ccc1O)I 527a_100102657272_100000212111 [1,1,0,0,0,0|1,0,0]=3 3795 B12R1.354 COC(=O)c1cc(c[nH]c1=O)O 271570a_203496583355_100009816710 [1,1,0,0,0,0|1,0,1]=4 3796 B12R1.354 COC(=O)c1cc(ccc1Br)O 271570a_203496583355_100012340073 [1,1,0,0,0,0|1,0,0]=3 3797 B12R1.354 COC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360116 [1,1,0,0,0,0|0,0,0]=2 3798 B12R1.354 COC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100012353682 [1,1,0,0,0,0|1,0,0]=3 3799 B12R1.354 COC(=O)c1cc(ccc1F)O 271570a_203496583355_100000154357 [1,1,0,0,0,0|1,0,0]=3 3800 B12R1.354 COC(=O)c1cc(ccc1N)O 271570a_203496583355_100000212070 [1,1,0,0,0,0|1,0,0]=3 3801 B12R1.354 COC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000148213 [1,1,0,0,0,0|0,0,0]=2 3802 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [1,1,0,0,0,0|0,0,0]=2 3803 B12R1.354 COC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294804 [1,1,0,0,0,0|0,0,0]=2 3804 B12R1.354 COC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205820 [1,1,0,0,0,0|0,0,0]=2 3805 B12R1.354 COC(=O)c1cc(ccc1O)N 271570a_203496583355_100000696289 [1,1,0,0,0,0|0,0,0]=2 3806 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100000149868 [1,1,0,0,0,0|0,0,0]=2 3807 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100010230369 [1,1,0,0,0,0|0,0,0]=2 3808 B12R1.354 COC(=O)c1cc(cnc1C)O 271570a_203496583355_100010180201 [1,1,0,0,0,0|1,0,0]=3 3809 B12R1.354 COC(=O)c1cc(cnc1F)O 271570a_203496583355_100010243567 [1,1,0,0,0,0|2,0,0]=4 3810 B12R1.354 COC(=O)c1cc(cnc1N)O 271570a_203496583355_100009816750 [1,1,0,0,0,0|2,0,0]=4 3811 B12R1.354 COC(=O)c1cc(cnc1O)C 271570a_203496583355_100000085774 [1,1,0,0,0,0|1,0,0]=3 3812 B12R1.354 COC(=O)c1cc(cnc1O)F 271570a_203496583355_100012000215 [1,1,0,0,0,0|1,0,0]=3 3813 B12R1.354 COC(=O)c1cc(cnc1O)N 271570a_203496583355_200012182668 [1,1,0,0,0,0|1,0,0]=3 3814 B12R1.354 COC(=O)c1cc(ncc1C)O 271570a_203496583355_100009858526 [1,1,0,0,0,0|1,0,0]=3 3815 B12R1.354 COC(=O)c1cc(ncc1F)O 271570a_203496583355_100010218257 [1,1,0,0,0,0|2,0,0]=4 3816 B12R1.354 COC(=O)c1cc(ncc1N)O 271570a_203496583355_100012180746 [1,1,0,0,0,0|2,0,0]=4 3817 B12R1.354 COC(=O)c1cc(ncc1O)N 271570a_203496583355_100011934820 [1,1,0,0,0,0|1,0,0]=3 3818 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100009816900 [1,1,0,0,0,0|1,0,0]=3 3819 B12R1.354 COC(=O)c1cc(ncc1O)O 271570a_203496583355_100010136202 [1,1,0,0,0,0|1,0,0]=3 3820 B12R1.354 COC(=O)c1nc(=O)[nH]cc1O 271570a_203496583355_100000093369 [1,1,0,0,0,0|2,0,0]=4 3821 B12R1.354 COC(=O)c1nc(ccc1C)O 271570a_203496583355_100000117997 [1,1,0,0,0,0|1,0,0]=3 3822 B12R1.354 COC(=O)c1nc(ccc1F)O 271570a_203496583355_100000697719 [1,1,0,0,0,0|2,0,0]=4 3823 B12R1.354 COC(=O)c1nc(ccc1N)O 271570a_203496583355_100009860768 [1,1,0,0,0,0|2,0,0]=4 3824 B12R1.354 COC(=O)c1nc(ccc1O)N 271570a_203496583355_100009816986 [1,1,0,0,0,0|1,0,0]=3 3825 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100000697862 [1,1,0,0,0,0|1,0,0]=3 3826 B12R1.354 COC(=O)c1nc(ccc1O)O 271570a_203496583355_100010189638 [1,1,0,0,0,0|1,0,0]=3 3827 B12R1.354 COC(=O)c1nc(cnc1C)O 271570a_203496583355_100010884432 [1,1,0,0,0,0|2,0,0]=4 3828 B12R1.354 COC(=O)c1nc(ncc1O)N 271570a_203496583355_100010219261 [1,1,0,0,0,0|2,0,0]=4 3829 B12R1.354 COC(C)c1cc(ccc1C)C 34a_200000246511_200000210301 [1,1,0,0,0,0|1,0,1]=4 3830 B12R1.354 COC(C)c1cc(ccc1C)C 7a_200000246511_200000210301 [1,1,0,0,0,0|1,0,1]=4 3831 B12R1.354 COC(C)c1cc(ccc1C)Cl 34a_100012002745_200000210301 [1,1,0,0,0,0|1,0,1]=4 3832 B12R1.354 COC(C)c1cc(ccc1C)Cl 7a_100012002745_200000210301 [1,1,0,0,0,0|1,0,1]=4 3833 B12R1.354 Cc1ccc(c(c1)C(=O)CF)C 1458a_100000195421_100015361967 [1,1,0,0,0,0|2,0,0]=4 3834 B12R1.354 Cc1ccc(c(c1)C(=O)CF)O 1458a_100000229998_100015361967 [1,1,0,0,0,0|2,0,0]=4 3835 B12R1.354 Cc1ccc(c(c1)C(C)O[13CH3])C 34a_200000246511_200025704644 [1,1,0,0,0,0|1,0,1]=4 3836 B12R1.354 Cc1ccc(c(c1)C(C)O[13CH3])C 7a_200000246511_200025704644 [1,1,0,0,0,0|1,0,1]=4 3837 B12R1.354 Cc1ccc(cc1C(=O)CF)Br 1458a_100000759961_100015361967 [1,1,0,0,0,0|2,0,0]=4 3838 B12R1.354 Cc1ccc(cc1C(=O)CF)Cl 1458a_100000692595_100015361967 [1,1,0,0,0,0|2,0,0]=4 3839 B12R1.354 Cc1ccc(cc1C(=O)CF)F 1458a_100000240043_100015361967 [1,1,0,0,0,0|2,0,0]=4 3840 B12R1.354 Cc1ccc(cc1C(=O)CF)I 1458a_100000688012_100015361967 [1,1,0,0,0,0|2,0,0]=4 3841 B12R1.354 Cc1ccc(cc1C(=O)CF)O 1458a_100000687834_100015361967 [1,1,0,0,0,0|2,0,0]=4 3842 B12R1.354 Cc1ccc(cc1C(C)O[13CH3])Cl 34a_100012002745_200025704644 [1,1,0,0,0,0|1,0,1]=4 3843 B12R1.354 Cc1ccc(cc1C(C)O[13CH3])Cl 7a_100012002745_200025704644 [1,1,0,0,0,0|1,0,1]=4 3844 B12R1.354 NNC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205862 [1,1,0,0,0,0|2,0,0]=4 3845 B12R1.354 NNC(=O)c1cc(ccc1O)O 271570a_203496583355_100000193350 [1,1,0,0,0,0|2,0,0]=4 3846 B12R1.354 O=C(CF)c1cc(ccc1O)Br 1458a_100000212140_100015361967 [1,1,0,0,0,0|2,0,0]=4 3847 B12R1.354 O=C(CF)c1cc(ccc1O)Cl 1458a_100000212143_100015361967 [1,1,0,0,0,0|2,0,0]=4 3848 B12R1.354 O=C(CF)c1cc(ccc1O)F 1458a_100000742286_100015361967 [1,1,0,0,0,0|2,0,0]=4 3849 B12R1.354 O=C(CF)c1cc(ccc1O)I 1458a_100000212111_100015361967 [1,1,0,0,0,0|2,0,0]=4 3850 B12R1.354 O=C(CF)c1cc(ccc1O)O 1458a_100000758025_100015361967 [1,1,0,0,0,0|2,0,0]=4 3851 B12R1.1703 CCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000210202 [1,1,0,0,0,0|2,0,0]=4 3852 B12R1.1703 CCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000210202 [1,1,0,0,0,0|2,0,0]=4 3853 B12R1.1703 CCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210202 [1,1,0,0,0,0|2,0,0]=4 3854 B12R1.1703 CCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000210202 [1,1,0,0,0,0|2,0,0]=4 3855 B12R1.1703 CCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000210202 [1,1,0,0,0,0|2,0,0]=4 3856 B12R1.1703 CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210202 [1,1,0,0,0,0|2,0,0]=4 3857 B12R1.1703 CCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210202 [1,1,0,0,0,0|1,0,0]=3 3858 B12R1.1703 CCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210202 [1,1,0,0,0,0|1,0,0]=3 3859 B12R1.1703 CCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210202 [1,1,0,0,0,0|1,0,0]=3 3860 B12R1.1703 CCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210202 [1,1,0,0,0,0|1,0,0]=3 3861 B12R1.1703 CCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210202 [1,1,0,0,0,0|1,0,0]=3 3862 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210202 [1,1,0,0,0,0|1,0,0]=3 3863 B12R1.1703 CCC(=O)c1ccc(cc1C)O 271570a_203496583355_200012361375 [1,1,0,0,0,0|1,0,0]=3 3864 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210202 [1,1,0,0,0,0|2,0,0]=4 3865 B12R1.1703 CCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210202 [1,1,0,0,0,0|2,0,0]=4 3866 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210202 [1,1,0,0,0,0|2,0,0]=4 3867 B12R1.1703 CCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210202 [1,1,0,0,0,0|2,0,0]=4 3868 B12R1.1703 CCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210202 [1,1,0,0,0,0|2,0,0]=4 3869 B12R1.1703 CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210202 [1,1,0,0,0,0|2,0,0]=4 3870 B12R1.1703 CCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000210202 [1,1,0,0,0,0|2,0,0]=4 3871 B12R1.1703 CCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000210202 [1,1,0,0,0,0|2,0,0]=4 3872 B12R1.1703 CCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210202 [1,1,0,0,0,0|2,0,0]=4 3873 B12R1.1703 CCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000210202 [1,1,0,0,0,0|2,0,0]=4 3874 B12R1.1703 CCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000210202 [1,1,0,0,0,0|2,0,0]=4 3875 B12R1.1703 CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210202 [1,1,0,0,0,0|2,0,0]=4 3876 B12R1.1703 CCC(=O)c1ccc(cc1F)O 271570a_203496583355_100012360378 [1,1,0,0,0,0|2,0,0]=4 3877 B12R1.1703 CCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000210202 [1,1,0,0,0,0|2,0,0]=4 3878 B12R1.1703 CCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000210202 [1,1,0,0,0,0|2,0,0]=4 3879 B12R1.1703 CCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210202 [1,1,0,0,0,0|2,0,0]=4 3880 B12R1.1703 CCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000210202 [1,1,0,0,0,0|2,0,0]=4 3881 B12R1.1703 CCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210202 [1,1,0,0,0,0|1,0,0]=3 3882 B12R1.1703 CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210202 [1,1,0,0,0,0|1,0,0]=3 3883 B12R1.1703 CCC(=O)c1ccc(cc1O)C 271570a_203496583355_200012349623 [1,1,0,0,0,0|1,0,0]=3 3884 B12R1.1703 CCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210202 [1,1,0,0,0,0|1,0,0]=3 3885 B12R1.1703 CCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210202 [1,1,0,0,0,0|1,0,0]=3 3886 B12R1.1703 CCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210202 [1,1,0,0,0,0|1,0,0]=3 3887 B12R1.1703 CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210202 [1,1,0,0,0,0|1,0,0]=3 3888 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 11a_106832991635_100000762965 [1,1,0,0,0,0|2,0,0]=4 3889 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 1626a_100102657272_100000762965 [1,1,0,0,0,0|2,0,0]=4 3890 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 240690a_100102657272_100000762965 [1,1,0,0,0,0|2,0,0]=4 3891 B12R1.1703 CNC(=O)c1ccc(cc1Br)Br 527a_100102657272_100000762965 [1,1,0,0,0,0|2,0,0]=4 3892 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 11a_106832991635_100000685072 [1,1,0,0,0,0|2,0,0]=4 3893 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 1626a_100102657272_100000685072 [1,1,0,0,0,0|2,0,0]=4 3894 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 240690a_100102657272_100000685072 [1,1,0,0,0,0|2,0,0]=4 3895 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 527a_100102657272_100000685072 [1,1,0,0,0,0|2,0,0]=4 3896 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 11a_106832991635_100000766353 [1,1,0,0,0,0|2,0,0]=4 3897 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 1626a_100102657272_100000766353 [1,1,0,0,0,0|2,0,0]=4 3898 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 240690a_100102657272_100000766353 [1,1,0,0,0,0|2,0,0]=4 3899 B12R1.1703 CNC(=O)c1ccc(cc1Br)Cl 527a_100102657272_100000766353 [1,1,0,0,0,0|2,0,0]=4 3900 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 11a_106832991635_100000212304 [1,1,0,0,0,0|2,0,0]=4 3901 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 1626a_100102657272_100000212304 [1,1,0,0,0,0|2,0,0]=4 3902 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 240690a_100102657272_100000212304 [1,1,0,0,0,0|2,0,0]=4 3903 B12R1.1703 CNC(=O)c1ccc(cc1Br)F 527a_100102657272_100000212304 [1,1,0,0,0,0|2,0,0]=4 3904 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 11a_106832991635_100012360512 [1,1,0,0,0,0|2,0,0]=4 3905 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 1626a_100102657272_100012360512 [1,1,0,0,0,0|2,0,0]=4 3906 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 240690a_100102657272_100012360512 [1,1,0,0,0,0|2,0,0]=4 3907 B12R1.1703 CNC(=O)c1ccc(cc1Br)I 527a_100102657272_100012360512 [1,1,0,0,0,0|2,0,0]=4 3908 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 240690a_100102657272_100012344906 [1,1,0,0,0,0|2,0,0]=4 3909 B12R1.1703 CNC(=O)c1ccc(cc1Br)O 527a_100102657272_100012344906 [1,1,0,0,0,0|2,0,0]=4 3910 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 11a_106832991635_100000741311 [1,1,0,0,0,0|1,0,0]=3 3911 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 1626a_100102657272_100000741311 [1,1,0,0,0,0|1,0,0]=3 3912 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 240690a_100102657272_100000741311 [1,1,0,0,0,0|1,0,0]=3 3913 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 527a_100102657272_100000741311 [1,1,0,0,0,0|1,0,0]=3 3914 B12R1.1703 CNC(=O)c1ccc(cc1C)C 11a_106832991635_100000211164 [1,1,0,0,0,0|1,0,0]=3 3915 B12R1.1703 CNC(=O)c1ccc(cc1C)C 1626a_100102657272_100000211164 [1,1,0,0,0,0|1,0,0]=3 3916 B12R1.1703 CNC(=O)c1ccc(cc1C)C 240690a_100102657272_100000211164 [1,1,0,0,0,0|1,0,0]=3 3917 B12R1.1703 CNC(=O)c1ccc(cc1C)C 527a_100102657272_100000211164 [1,1,0,0,0,0|1,0,0]=3 3918 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 11a_106832991635_100000688705 [1,1,0,0,0,0|1,0,0]=3 3919 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 1626a_100102657272_100000688705 [1,1,0,0,0,0|1,0,0]=3 3920 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 240690a_100102657272_100000688705 [1,1,0,0,0,0|1,0,0]=3 3921 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 527a_100102657272_100000688705 [1,1,0,0,0,0|1,0,0]=3 3922 B12R1.1703 CNC(=O)c1ccc(cc1C)F 11a_106832991635_100000686989 [1,1,0,0,0,0|1,0,0]=3 3923 B12R1.1703 CNC(=O)c1ccc(cc1C)F 1626a_100102657272_100000686989 [1,1,0,0,0,0|1,0,0]=3 3924 B12R1.1703 CNC(=O)c1ccc(cc1C)F 240690a_100102657272_100000686989 [1,1,0,0,0,0|1,0,0]=3 3925 B12R1.1703 CNC(=O)c1ccc(cc1C)F 527a_100102657272_100000686989 [1,1,0,0,0,0|1,0,0]=3 3926 B12R1.1703 CNC(=O)c1ccc(cc1C)I 11a_106832991635_100010189873 [1,1,0,0,0,0|1,0,0]=3 3927 B12R1.1703 CNC(=O)c1ccc(cc1C)I 1626a_100102657272_100010189873 [1,1,0,0,0,0|1,0,0]=3 3928 B12R1.1703 CNC(=O)c1ccc(cc1C)I 240690a_100102657272_100010189873 [1,1,0,0,0,0|1,0,0]=3 3929 B12R1.1703 CNC(=O)c1ccc(cc1C)I 527a_100102657272_100010189873 [1,1,0,0,0,0|1,0,0]=3 3930 B12R1.1703 CNC(=O)c1ccc(cc1C)O 240690a_100102657272_100000692822 [1,1,0,0,0,0|1,0,0]=3 3931 B12R1.1703 CNC(=O)c1ccc(cc1C)O 527a_100102657272_100000692822 [1,1,0,0,0,0|1,0,0]=3 3932 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 11a_106832991635_100000741628 [1,1,0,0,0,0|2,0,0]=4 3933 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 1626a_100102657272_100000741628 [1,1,0,0,0,0|2,0,0]=4 3934 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 240690a_100102657272_100000741628 [1,1,0,0,0,0|2,0,0]=4 3935 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br 527a_100102657272_100000741628 [1,1,0,0,0,0|2,0,0]=4 3936 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 11a_106832991635_100000766932 [1,1,0,0,0,0|2,0,0]=4 3937 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 1626a_100102657272_100000766932 [1,1,0,0,0,0|2,0,0]=4 3938 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 240690a_100102657272_100000766932 [1,1,0,0,0,0|2,0,0]=4 3939 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 527a_100102657272_100000766932 [1,1,0,0,0,0|2,0,0]=4 3940 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 11a_106832991635_100000185840 [1,1,0,0,0,0|2,0,0]=4 3941 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 1626a_100102657272_100000185840 [1,1,0,0,0,0|2,0,0]=4 3942 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 240690a_100102657272_100000185840 [1,1,0,0,0,0|2,0,0]=4 3943 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl 527a_100102657272_100000185840 [1,1,0,0,0,0|2,0,0]=4 3944 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 11a_106832991635_100000211397 [1,1,0,0,0,0|2,0,0]=4 3945 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 1626a_100102657272_100000211397 [1,1,0,0,0,0|2,0,0]=4 3946 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 240690a_100102657272_100000211397 [1,1,0,0,0,0|2,0,0]=4 3947 B12R1.1703 CNC(=O)c1ccc(cc1Cl)F 527a_100102657272_100000211397 [1,1,0,0,0,0|2,0,0]=4 3948 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 11a_106832991635_100000751301 [1,1,0,0,0,0|2,0,0]=4 3949 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 1626a_100102657272_100000751301 [1,1,0,0,0,0|2,0,0]=4 3950 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 240690a_100102657272_100000751301 [1,1,0,0,0,0|2,0,0]=4 3951 B12R1.1703 CNC(=O)c1ccc(cc1Cl)I 527a_100102657272_100000751301 [1,1,0,0,0,0|2,0,0]=4 3952 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 240690a_100102657272_100000702456 [1,1,0,0,0,0|2,0,0]=4 3953 B12R1.1703 CNC(=O)c1ccc(cc1Cl)O 527a_100102657272_100000702456 [1,1,0,0,0,0|2,0,0]=4 3954 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 11a_106832991635_100000214689 [1,1,0,0,0,0|2,0,0]=4 3955 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 1626a_100102657272_100000214689 [1,1,0,0,0,0|2,0,0]=4 3956 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 240690a_100102657272_100000214689 [1,1,0,0,0,0|2,0,0]=4 3957 B12R1.1703 CNC(=O)c1ccc(cc1F)Br 527a_100102657272_100000214689 [1,1,0,0,0,0|2,0,0]=4 3958 B12R1.1703 CNC(=O)c1ccc(cc1F)C 11a_106832991635_100000766033 [1,1,0,0,0,0|2,0,0]=4 3959 B12R1.1703 CNC(=O)c1ccc(cc1F)C 1626a_100102657272_100000766033 [1,1,0,0,0,0|2,0,0]=4 3960 B12R1.1703 CNC(=O)c1ccc(cc1F)C 240690a_100102657272_100000766033 [1,1,0,0,0,0|2,0,0]=4 3961 B12R1.1703 CNC(=O)c1ccc(cc1F)C 527a_100102657272_100000766033 [1,1,0,0,0,0|2,0,0]=4 3962 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 11a_106832991635_100000212326 [1,1,0,0,0,0|2,0,0]=4 3963 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 1626a_100102657272_100000212326 [1,1,0,0,0,0|2,0,0]=4 3964 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 240690a_100102657272_100000212326 [1,1,0,0,0,0|2,0,0]=4 3965 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl 527a_100102657272_100000212326 [1,1,0,0,0,0|2,0,0]=4 3966 B12R1.1703 CNC(=O)c1ccc(cc1F)F 11a_106832991635_100000211022 [1,1,0,0,0,0|2,0,0]=4 3967 B12R1.1703 CNC(=O)c1ccc(cc1F)F 1626a_100102657272_100000211022 [1,1,0,0,0,0|2,0,0]=4 3968 B12R1.1703 CNC(=O)c1ccc(cc1F)F 240690a_100102657272_100000211022 [1,1,0,0,0,0|2,0,0]=4 3969 B12R1.1703 CNC(=O)c1ccc(cc1F)F 527a_100102657272_100000211022 [1,1,0,0,0,0|2,0,0]=4 3970 B12R1.1703 CNC(=O)c1ccc(cc1F)I 11a_106832991635_100000037189 [1,1,0,0,0,0|2,0,0]=4 3971 B12R1.1703 CNC(=O)c1ccc(cc1F)I 1626a_100102657272_100000037189 [1,1,0,0,0,0|2,0,0]=4 3972 B12R1.1703 CNC(=O)c1ccc(cc1F)I 240690a_100102657272_100000037189 [1,1,0,0,0,0|2,0,0]=4 3973 B12R1.1703 CNC(=O)c1ccc(cc1F)I 527a_100102657272_100000037189 [1,1,0,0,0,0|2,0,0]=4 3974 B12R1.1703 CNC(=O)c1ccc(cc1F)O 240690a_100102657272_100000689029 [1,1,0,0,0,0|2,0,0]=4 3975 B12R1.1703 CNC(=O)c1ccc(cc1F)O 271570a_203496583355_100000233932 [1,1,0,0,0,0|2,0,0]=4 3976 B12R1.1703 CNC(=O)c1ccc(cc1F)O 527a_100102657272_100000689029 [1,1,0,0,0,0|2,0,0]=4 3977 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 11a_106832991635_100000751167 [1,1,0,0,0,0|2,0,0]=4 3978 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 1626a_100102657272_100000751167 [1,1,0,0,0,0|2,0,0]=4 3979 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 240690a_100102657272_100000751167 [1,1,0,0,0,0|2,0,0]=4 3980 B12R1.1703 CNC(=O)c1ccc(cc1I)Br 527a_100102657272_100000751167 [1,1,0,0,0,0|2,0,0]=4 3981 B12R1.1703 CNC(=O)c1ccc(cc1I)C 11a_106832991635_100009999607 [1,1,0,0,0,0|2,0,0]=4 3982 B12R1.1703 CNC(=O)c1ccc(cc1I)C 1626a_100102657272_100009999607 [1,1,0,0,0,0|2,0,0]=4 3983 B12R1.1703 CNC(=O)c1ccc(cc1I)C 240690a_100102657272_100009999607 [1,1,0,0,0,0|2,0,0]=4 3984 B12R1.1703 CNC(=O)c1ccc(cc1I)C 527a_100102657272_100009999607 [1,1,0,0,0,0|2,0,0]=4 3985 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 11a_106832991635_100000739380 [1,1,0,0,0,0|2,0,0]=4 3986 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 1626a_100102657272_100000739380 [1,1,0,0,0,0|2,0,0]=4 3987 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 240690a_100102657272_100000739380 [1,1,0,0,0,0|2,0,0]=4 3988 B12R1.1703 CNC(=O)c1ccc(cc1I)Cl 527a_100102657272_100000739380 [1,1,0,0,0,0|2,0,0]=4 3989 B12R1.1703 CNC(=O)c1ccc(cc1I)F 11a_106832991635_100000739341 [1,1,0,0,0,0|2,0,0]=4 3990 B12R1.1703 CNC(=O)c1ccc(cc1I)F 1626a_100102657272_100000739341 [1,1,0,0,0,0|2,0,0]=4 3991 B12R1.1703 CNC(=O)c1ccc(cc1I)F 240690a_100102657272_100000739341 [1,1,0,0,0,0|2,0,0]=4 3992 B12R1.1703 CNC(=O)c1ccc(cc1I)F 527a_100102657272_100000739341 [1,1,0,0,0,0|2,0,0]=4 3993 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 240690a_100102657272_100000744433 [1,1,0,0,0,0|1,0,0]=3 3994 B12R1.1703 CNC(=O)c1ccc(cc1O)Br 527a_100102657272_100000744433 [1,1,0,0,0,0|1,0,0]=3 3995 B12R1.1703 CNC(=O)c1ccc(cc1O)C 1626a_100102657272_100000212137 [1,1,0,0,0,0|1,0,0]=3 3996 B12R1.1703 CNC(=O)c1ccc(cc1O)C 240690a_100102657272_100000212137 [1,1,0,0,0,0|1,0,0]=3 3997 B12R1.1703 CNC(=O)c1ccc(cc1O)C 527a_100102657272_100000212137 [1,1,0,0,0,0|1,0,0]=3 3998 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 11a_106832991635_100000188622 [1,1,0,0,0,0|1,0,0]=3 3999 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 240690a_100102657272_100000188622 [1,1,0,0,0,0|1,0,0]=3 4000 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl 527a_100102657272_100000188622 [1,1,0,0,0,0|1,0,0]=3 4001 B12R1.1703 CNC(=O)c1ccc(cc1O)F 240690a_100102657272_100000746061 [1,1,0,0,0,0|1,0,0]=3 4002 B12R1.1703 CNC(=O)c1ccc(cc1O)F 271570a_203496583355_200000206206 [1,1,0,0,0,0|1,0,0]=3 4003 B12R1.1703 CNC(=O)c1ccc(cc1O)F 527a_100102657272_100000746061 [1,1,0,0,0,0|1,0,0]=3 4004 B12R1.1703 CNC(=O)c1ccc(cc1O)I 240690a_100102657272_100000091984 [1,1,0,0,0,0|1,0,0]=3 4005 B12R1.1703 CNC(=O)c1ccc(cc1O)I 527a_100102657272_100000091984 [1,1,0,0,0,0|1,0,0]=3 4006 B12R1.1703 COC(=O)c1ccc(c[n+]1[O-])O 271570a_203496583355_100015641791 [1,1,0,0,0,0|1,0,1]=4 4007 B12R1.1703 COC(=O)c1ccc(cc1Br)O 271570a_203496583355_100010247156 [1,1,0,0,0,0|1,0,0]=3 4008 B12R1.1703 COC(=O)c1ccc(cc1C)O 271570a_203496583355_100000747612 [1,1,0,0,0,0|0,0,0]=2 4009 B12R1.1703 COC(=O)c1ccc(cc1Cl)O 271570a_203496583355_100000060724 [1,1,0,0,0,0|1,0,0]=3 4010 B12R1.1703 COC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216654 [1,1,0,0,0,0|1,0,0]=3 4011 B12R1.1703 COC(=O)c1ccc(cc1N)O 271570a_203496583355_100011373473 [1,1,0,0,0,0|1,0,0]=3 4012 B12R1.1703 COC(=O)c1ccc(cc1O)Br 271570a_203496583355_100000701758 [1,1,0,0,0,0|0,0,0]=2 4013 B12R1.1703 COC(=O)c1ccc(cc1O)C 271570a_203496583355_100012340597 [1,1,0,0,0,0|0,0,0]=2 4014 B12R1.1703 COC(=O)c1ccc(cc1O)Cl 271570a_203496583355_100000047510 [1,1,0,0,0,0|0,0,0]=2 4015 B12R1.1703 COC(=O)c1ccc(cc1O)F 271570a_203496583355_100000204356 [1,1,0,0,0,0|0,0,0]=2 4016 B12R1.1703 COC(=O)c1ccc(cc1O)N 271570a_203496583355_100009998378 [1,1,0,0,0,0|0,0,0]=2 4017 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100000062286 [1,1,0,0,0,0|0,0,0]=2 4018 B12R1.1703 COC(=O)c1ccc(cc1O)O 271570a_203496583355_100010150825 [1,1,0,0,0,0|0,0,0]=2 4019 B12R1.1703 COC(=O)c1ccc(nc1C)O 271570a_203496583355_100000692007 [1,1,0,0,0,0|1,0,0]=3 4020 B12R1.1703 COC(=O)c1ccc(nc1F)O 271570a_203496583355_100010189635 [1,1,0,0,0,0|2,0,0]=4 4021 B12R1.1703 COC(=O)c1ccc(nc1N)O 271570a_203496583355_100000142702 [1,1,0,0,0,0|2,0,0]=4 4022 B12R1.1703 COC(=O)c1ccc(nc1O)C 271570a_203496583355_100000054099 [1,1,0,0,0,0|1,0,0]=3 4023 B12R1.1703 COC(=O)c1ccc(nc1O)N 271570a_203496583355_100009865240 [1,1,0,0,0,0|1,0,0]=3 4024 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100015962272 [1,1,0,0,0,0|1,0,0]=3 4025 B12R1.1703 COC(=O)c1ccc(nc1O)O 271570a_203496583355_100016008356 [1,1,0,0,0,0|1,0,0]=3 4026 B12R1.1703 COC(=O)c1cnc(cc1C)O 271570a_203496583355_100009871181 [1,1,0,0,0,0|1,0,0]=3 4027 B12R1.1703 COC(=O)c1cnc(cc1N)O 271570a_203496583355_100009862510 [1,1,0,0,0,0|2,0,0]=4 4028 B12R1.1703 COC(=O)c1cnc(cc1O)C 271570a_203496583355_100011998247 [1,1,0,0,0,0|1,0,0]=3 4029 B12R1.1703 COC(=O)c1cnc(nc1O)N 271570a_203496583355_100010277515 [1,1,0,0,0,0|2,0,0]=4 4030 B12R1.1703 COC(=O)c1n[nH]c(=O)cc1O 271570a_203496583355_200021564684 [1,1,0,0,0,0|2,0,0]=4 4031 B12R1.1703 COC(=O)c1ncc(cc1C)O 271570a_203496583355_100010178714 [1,1,0,0,0,0|1,0,0]=3 4032 B12R1.1703 COC(=O)c1ncc(cc1F)O 271570a_203496583355_100000695675 [1,1,0,0,0,0|2,0,0]=4 4033 B12R1.1703 COC(=O)c1ncc(cc1N)O 271570a_203496583355_100010090751 [1,1,0,0,0,0|2,0,0]=4 4034 B12R1.1703 COC(=O)c1ncc(cc1O)C 271570a_203496583355_100010167497 [1,1,0,0,0,0|1,0,0]=3 4035 B12R1.1703 COC(=O)c1ncc(cc1O)F 271570a_203496583355_100010189631 [1,1,0,0,0,0|1,0,0]=3 4036 B12R1.1703 COC(=O)c1ncc(cc1O)O 271570a_203496583355_100010071521 [1,1,0,0,0,0|1,0,0]=3 4037 B12R1.1703 COC(=O)c1ncc(nc1O)C 271570a_203496583355_100000099855 [1,1,0,0,0,0|2,0,0]=4 4038 B12R1.1703 COC(C)c1ccc(cc1C)C 34a_100000246504_200000210301 [1,1,0,0,0,0|1,0,1]=4 4039 B12R1.1703 COC(C)c1ccc(cc1C)C 7a_100000246504_200000210301 [1,1,0,0,0,0|1,0,1]=4 4040 B12R1.1703 Cc1cc(ccc1C(=O)CF)Br 1458a_100000741311_100015361967 [1,1,0,0,0,0|2,0,0]=4 4041 B12R1.1703 Cc1cc(ccc1C(=O)CF)Cl 1458a_100000688705_100015361967 [1,1,0,0,0,0|2,0,0]=4 4042 B12R1.1703 Cc1cc(ccc1C(=O)CF)F 1458a_100000686989_100015361967 [1,1,0,0,0,0|2,0,0]=4 4043 B12R1.1703 Cc1cc(ccc1C(=O)CF)I 1458a_100010189873_100015361967 [1,1,0,0,0,0|2,0,0]=4 4044 B12R1.1703 Cc1cc(ccc1C(=O)CF)O 1458a_100000692822_100015361967 [1,1,0,0,0,0|2,0,0]=4 4045 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CF 1458a_100000211164_100015361967 [1,1,0,0,0,0|2,0,0]=4 4046 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 34a_100000246504_200025704644 [1,1,0,0,0,0|1,0,1]=4 4047 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 7a_100000246504_200025704644 [1,1,0,0,0,0|1,0,1]=4 4048 B12R1.1703 Cc1ccc(c(c1)O)C(=O)CF 1458a_100000212137_100015361967 [1,1,0,0,0,0|2,0,0]=4 4049 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NN 271570a_203496583355_200012340525 [1,1,0,0,0,0|2,0,0]=4 4050 B12R1.1703 NNC(=O)c1ccc(cc1O)F 271570a_203496583355_100000203923 [1,1,0,0,0,0|2,0,0]=4 4051 B12R1.1703 O=C(CF)c1ccc(cc1O)Br 1458a_100000744433_100015361967 [1,1,0,0,0,0|2,0,0]=4 4052 B12R1.1703 O=C(CF)c1ccc(cc1O)Cl 1458a_100000188622_100015361967 [1,1,0,0,0,0|2,0,0]=4 4053 B12R1.1703 O=C(CF)c1ccc(cc1O)F 1458a_100000746061_100015361967 [1,1,0,0,0,0|2,0,0]=4 4054 B12R1.1703 O=C(CF)c1ccc(cc1O)I 1458a_100000091984_100015361967 [1,1,0,0,0,0|2,0,0]=4 4055 B12R1.1703 O=C(CF)c1ccc(cc1O)O 1458a_100000212172_100015361967 [1,1,0,0,0,0|2,0,0]=4 4056 B12R1.3441 CCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000210202 [1,1,0,0,0,0|2,0,0]=4 4057 B12R1.3441 CCC(=O)c1c(cccc1Br)C 1458a_100000701904_100000210202 [1,1,0,0,0,0|1,0,0]=3 4058 B12R1.3441 CCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000210202 [1,1,0,0,0,0|2,0,0]=4 4059 B12R1.3441 CCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000210202 [1,1,0,0,0,0|2,0,0]=4 4060 B12R1.3441 CCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000210202 [1,1,0,0,0,0|1,0,0]=3 4061 B12R1.3441 CCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210202 [1,1,0,0,0,0|1,0,0]=3 4062 B12R1.3441 CCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000210202 [1,1,0,0,0,0|1,0,0]=3 4063 B12R1.3441 CCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000210202 [1,1,0,0,0,0|2,0,0]=4 4064 B12R1.3441 CCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000210202 [1,1,0,0,0,0|2,0,0]=4 4065 B12R1.3441 CCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210202 [1,1,0,0,0,0|1,0,0]=3 4066 B12R1.3441 CCC(=O)c1c(cccc1F)C 1458a_100000762013_100000210202 [1,1,0,0,0,0|1,0,0]=3 4067 B12R1.3441 CCC(=O)c1c(cccc1F)F 1458a_100000210804_100000210202 [1,1,0,0,0,0|2,0,0]=4 4068 B12R1.3441 CCC(=O)c1c(cccc1F)O 1458a_100000763259_100000210202 [1,1,0,0,0,0|1,0,0]=3 4069 B12R1.3441 CCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000210202 [1,1,0,0,0,0|2,0,0]=4 4070 B12R1.3441 CCC(=O)c1c(cccc1I)C 1458a_100000688020_100000210202 [1,1,0,0,0,0|1,0,0]=3 4071 B12R1.3441 CCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000210202 [1,1,0,0,0,0|2,0,0]=4 4072 B12R1.3441 CCC(=O)c1c(cccc1I)F 1458a_100000023732_100000210202 [1,1,0,0,0,0|2,0,0]=4 4073 B12R1.3441 CCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210202 [1,1,0,0,0,0|1,0,0]=3 4074 B12R1.3441 CCC(=O)c1c(cccc1O)O 1458a_100000755285_100000210202 [1,1,0,0,0,0|1,0,0]=3 4075 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 11a_106832991635_100000690891 [1,1,0,0,0,0|2,0,0]=4 4076 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 1626a_100102657272_100000690891 [1,1,0,0,0,0|2,0,0]=4 4077 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 240690a_100102657272_100000690891 [1,1,0,0,0,0|2,0,0]=4 4078 B12R1.3441 CNC(=O)c1c(cccc1Br)Br 527a_100102657272_100000690891 [1,1,0,0,0,0|2,0,0]=4 4079 B12R1.3441 CNC(=O)c1c(cccc1Br)C 11a_106832991635_100000701904 [1,1,0,0,0,0|1,0,0]=3 4080 B12R1.3441 CNC(=O)c1c(cccc1Br)C 1626a_100102657272_100000701904 [1,1,0,0,0,0|1,0,0]=3 4081 B12R1.3441 CNC(=O)c1c(cccc1Br)C 240690a_100102657272_100000701904 [1,1,0,0,0,0|1,0,0]=3 4082 B12R1.3441 CNC(=O)c1c(cccc1Br)C 527a_100102657272_100000701904 [1,1,0,0,0,0|1,0,0]=3 4083 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 11a_106832991635_100011253703 [1,1,0,0,0,0|2,0,0]=4 4084 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 1626a_100102657272_100011253703 [1,1,0,0,0,0|2,0,0]=4 4085 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 240690a_100102657272_100011253703 [1,1,0,0,0,0|2,0,0]=4 4086 B12R1.3441 CNC(=O)c1c(cccc1Br)Cl 527a_100102657272_100011253703 [1,1,0,0,0,0|2,0,0]=4 4087 B12R1.3441 CNC(=O)c1c(cccc1Br)F 11a_106832991635_100000752694 [1,1,0,0,0,0|2,0,0]=4 4088 B12R1.3441 CNC(=O)c1c(cccc1Br)F 1626a_100102657272_100000752694 [1,1,0,0,0,0|2,0,0]=4 4089 B12R1.3441 CNC(=O)c1c(cccc1Br)F 240690a_100102657272_100000752694 [1,1,0,0,0,0|2,0,0]=4 4090 B12R1.3441 CNC(=O)c1c(cccc1Br)F 527a_100102657272_100000752694 [1,1,0,0,0,0|2,0,0]=4 4091 B12R1.3441 CNC(=O)c1c(cccc1Br)O 240690a_100102657272_100011935254 [1,1,0,0,0,0|1,0,0]=3 4092 B12R1.3441 CNC(=O)c1c(cccc1Br)O 527a_100102657272_100011935254 [1,1,0,0,0,0|1,0,0]=3 4093 B12R1.3441 CNC(=O)c1c(cccc1C)C 11a_106832991635_100000758298 [1,1,0,0,0,0|1,0,0]=3 4094 B12R1.3441 CNC(=O)c1c(cccc1C)C 1626a_100102657272_100000758298 [1,1,0,0,0,0|1,0,0]=3 4095 B12R1.3441 CNC(=O)c1c(cccc1C)C 240690a_100102657272_100000758298 [1,1,0,0,0,0|1,0,0]=3 4096 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 11a_106832991635_100000692601 [1,1,0,0,0,0|1,0,0]=3 4097 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 1626a_100102657272_100000692601 [1,1,0,0,0,0|1,0,0]=3 4098 B12R1.3441 CNC(=O)c1c(cccc1Cl)C 240690a_100102657272_100000692601 [1,1,0,0,0,0|1,0,0]=3 4099 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 11a_106832991635_100000210656 [1,1,0,0,0,0|2,0,0]=4 4100 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 1626a_100102657272_100000210656 [1,1,0,0,0,0|2,0,0]=4 4101 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl 240690a_100102657272_100000210656 [1,1,0,0,0,0|2,0,0]=4 4102 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 11a_106832991635_100000210369 [1,1,0,0,0,0|2,0,0]=4 4103 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 1626a_100102657272_100000210369 [1,1,0,0,0,0|2,0,0]=4 4104 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 240690a_100102657272_100000210369 [1,1,0,0,0,0|2,0,0]=4 4105 B12R1.3441 CNC(=O)c1c(cccc1Cl)F 527a_100102657272_100000210369 [1,1,0,0,0,0|2,0,0]=4 4106 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 240690a_100102657272_100000745519 [1,1,0,0,0,0|1,0,0]=3 4107 B12R1.3441 CNC(=O)c1c(cccc1Cl)O 527a_100102657272_100000745519 [1,1,0,0,0,0|1,0,0]=3 4108 B12R1.3441 CNC(=O)c1c(cccc1F)C 11a_106832991635_100000762013 [1,1,0,0,0,0|1,0,0]=3 4109 B12R1.3441 CNC(=O)c1c(cccc1F)C 1626a_100102657272_100000762013 [1,1,0,0,0,0|1,0,0]=3 4110 B12R1.3441 CNC(=O)c1c(cccc1F)C 240690a_100102657272_100000762013 [1,1,0,0,0,0|1,0,0]=3 4111 B12R1.3441 CNC(=O)c1c(cccc1F)C 527a_100102657272_100000762013 [1,1,0,0,0,0|1,0,0]=3 4112 B12R1.3441 CNC(=O)c1c(cccc1F)F 11a_106832991635_100000210804 [1,1,0,0,0,0|2,0,0]=4 4113 B12R1.3441 CNC(=O)c1c(cccc1F)F 1626a_100102657272_100000210804 [1,1,0,0,0,0|2,0,0]=4 4114 B12R1.3441 CNC(=O)c1c(cccc1F)F 240690a_100102657272_100000210804 [1,1,0,0,0,0|2,0,0]=4 4115 B12R1.3441 CNC(=O)c1c(cccc1F)F 527a_100102657272_100000210804 [1,1,0,0,0,0|2,0,0]=4 4116 B12R1.3441 CNC(=O)c1c(cccc1F)O 271570a_203496583355_100012642803 [1,1,0,0,0,0|1,0,0]=3 4117 B12R1.3441 CNC(=O)c1c(cccc1F)O 527a_100102657272_100000763259 [1,1,0,0,0,0|1,0,0]=3 4118 B12R1.3441 CNC(=O)c1c(cccc1I)Br 11a_106832991635_100010232521 [1,1,0,0,0,0|2,0,0]=4 4119 B12R1.3441 CNC(=O)c1c(cccc1I)Br 1626a_100102657272_100010232521 [1,1,0,0,0,0|2,0,0]=4 4120 B12R1.3441 CNC(=O)c1c(cccc1I)Br 240690a_100102657272_100010232521 [1,1,0,0,0,0|2,0,0]=4 4121 B12R1.3441 CNC(=O)c1c(cccc1I)Br 527a_100102657272_100010232521 [1,1,0,0,0,0|2,0,0]=4 4122 B12R1.3441 CNC(=O)c1c(cccc1I)C 11a_106832991635_100000688020 [1,1,0,0,0,0|1,0,0]=3 4123 B12R1.3441 CNC(=O)c1c(cccc1I)C 1626a_100102657272_100000688020 [1,1,0,0,0,0|1,0,0]=3 4124 B12R1.3441 CNC(=O)c1c(cccc1I)C 240690a_100102657272_100000688020 [1,1,0,0,0,0|1,0,0]=3 4125 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 11a_106832991635_100000702859 [1,1,0,0,0,0|2,0,0]=4 4126 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 1626a_100102657272_100000702859 [1,1,0,0,0,0|2,0,0]=4 4127 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 240690a_100102657272_100000702859 [1,1,0,0,0,0|2,0,0]=4 4128 B12R1.3441 CNC(=O)c1c(cccc1I)Cl 527a_100102657272_100000702859 [1,1,0,0,0,0|2,0,0]=4 4129 B12R1.3441 CNC(=O)c1c(cccc1I)F 11a_106832991635_100000023732 [1,1,0,0,0,0|2,0,0]=4 4130 B12R1.3441 CNC(=O)c1c(cccc1I)F 1626a_100102657272_100000023732 [1,1,0,0,0,0|2,0,0]=4 4131 B12R1.3441 CNC(=O)c1c(cccc1I)F 240690a_100102657272_100000023732 [1,1,0,0,0,0|2,0,0]=4 4132 B12R1.3441 CNC(=O)c1c(cccc1O)O 527a_100102657272_100000755285 [1,1,0,0,0,0|1,0,0]=3 4133 B12R1.3441 COC(=O)c1c(cccc1Br)O 271570a_203496583355_100010247157 [1,1,0,0,0,0|0,0,0]=2 4134 B12R1.3441 COC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010150959 [1,1,0,0,0,0|0,0,0]=2 4135 B12R1.3441 COC(=O)c1c(cccc1F)O 271570a_203496583355_100000150693 [1,1,0,0,0,0|0,0,0]=2 4136 B12R1.3441 COC(=O)c1c(cccc1O)C 271570a_203496583355_100010204206 [1,1,0,0,0,0|0,0,0]=2 4137 B12R1.3441 COC(=O)c1c(cccc1O)N 271570a_203496583355_100010253892 [1,1,0,0,0,0|0,0,0]=2 4138 B12R1.3441 COC(=O)c1c(ccnc1Cl)O 271570a_203496583355_100010138530 [1,1,0,0,0,0|1,0,0]=3 4139 B12R1.3441 COC(=O)c1c(ccnc1F)O 271570a_203496583355_100010150474 [1,1,0,0,0,0|1,0,0]=3 4140 B12R1.3441 COC(=O)c1c(ccnc1O)F 271570a_203496583355_100015560809 [1,1,0,0,0,0|1,0,0]=3 4141 B12R1.3441 COC(=O)c1c(ccnc1O)N 271570a_203496583355_100009985557 [1,1,0,0,0,0|1,0,0]=3 4142 B12R1.3441 COC(=O)c1c(cncc1F)O 271570a_203496583355_100010189632 [1,1,0,0,0,0|1,0,0]=3 4143 B12R1.3441 COC(=O)c1c(ncnc1O)N 271570a_203496583355_200021259019 [1,1,0,0,0,0|2,0,0]=4 4144 B12R1.3441 COC(C)c1c(cccc1C)C 34a_200000695261_200000210301 [1,1,0,0,0,0|1,0,1]=4 4145 B12R1.3441 COC(C)c1c(cccc1C)C 7a_200000695261_200000210301 [1,1,0,0,0,0|1,0,1]=4 4146 B12R1.3441 Cc1cccc(c1C(=O)CF)Br 1458a_100000701904_100015361967 [1,1,0,0,0,0|2,0,0]=4 4147 B12R1.3441 Cc1cccc(c1C(=O)CF)C 1458a_100000758298_100015361967 [1,1,0,0,0,0|2,0,0]=4 4148 B12R1.3441 Cc1cccc(c1C(=O)CF)Cl 1458a_100000692601_100015361967 [1,1,0,0,0,0|2,0,0]=4 4149 B12R1.3441 Cc1cccc(c1C(=O)CF)F 1458a_100000762013_100015361967 [1,1,0,0,0,0|2,0,0]=4 4150 B12R1.3441 Cc1cccc(c1C(=O)CF)I 1458a_100000688020_100015361967 [1,1,0,0,0,0|2,0,0]=4 4151 B12R1.3441 Cc1cccc(c1C(=O)CF)O 1458a_100011934116_100015361967 [1,1,0,0,0,0|2,0,0]=4 4152 B12R1.3441 Cc1cccc(c1C(C)O[13CH3])C 34a_200000695261_200025704644 [1,1,0,0,0,0|1,0,1]=4 4153 B12R1.3441 Cc1cccc(c1C(C)O[13CH3])C 7a_200000695261_200025704644 [1,1,0,0,0,0|1,0,1]=4 4154 B12R1.3441 O=C(CF)c1c(cccc1Br)O 1458a_100011935254_100015361967 [1,1,0,0,0,0|2,0,0]=4 4155 B12R1.3441 O=C(CF)c1c(cccc1Cl)O 1458a_100000745519_100015361967 [1,1,0,0,0,0|2,0,0]=4 4156 B12R1.3441 O=C(CF)c1c(cccc1F)O 1458a_100000763259_100015361967 [1,1,0,0,0,0|2,0,0]=4 4157 B12R1.3441 O=C(CF)c1c(cccc1O)O 1458a_100000755285_100015361967 [1,1,0,0,0,0|2,0,0]=4 4158 B12R1.291 CC=Cc1cc[nH]c1C(=O)OC 271570a_100016259895_100102525103 [0,1,0,0,1,0|2,0,0]=4 4159 B12R1.291 CC=Cc1ccoc1C(=O)OC 271570a_100016259895_100012676306 [0,1,0,0,1,0|2,0,0]=4 4160 B12R1.291 CC=Cc1ccsc1C(=O)OC 271570a_100016259895_100000730364 [0,1,0,0,1,0|2,0,0]=4 4161 B12R1.291 CC=Cc1cscc1C(=O)OC 271570a_100016259895_100012351140 [0,1,0,0,1,0|2,0,0]=4 4162 B12R1.291 CC=Cc1occc1C(=O)OC 271570a_100016259895_100011935261 [0,1,0,0,1,0|2,0,0]=4 4163 B12R1.291 CC=Cc1sccc1C(=O)OC 271570a_100016259895_100009822520 [0,1,0,0,1,0|2,0,0]=4 4164 B12R1.291 CCOc1cc[nH]c1C(=O)OC 34a_100000131702_100000210202 [0,1,0,0,1,0|1,0,0]=3 4165 B12R1.291 CCOc1ccsc1C(=O)OC 7a_100000043449_100000210202 [0,1,0,0,1,0|1,0,0]=3 4166 B12R1.291 CCSc1cc[nH]c1C(=O)OC 62a_100000210202_100102525103 [0,1,0,0,1,0|1,1,0]=4 4167 B12R1.291 CCSc1ccoc1C(=O)OC 62a_100000210202_100012676306 [0,1,0,0,1,0|1,1,0]=4 4168 B12R1.291 CCSc1ccsc1C(=O)OC 62a_100000210202_100000730364 [0,1,0,0,1,0|1,1,0]=4 4169 B12R1.291 CCSc1cscc1C(=O)OC 62a_100000210202_100012351140 [0,1,0,0,1,0|1,1,0]=4 4170 B12R1.291 CCSc1cscc1C(=O)OC 62a_100012351140_100000210202 [0,1,0,0,1,0|1,1,0]=4 4171 B12R1.291 CCSc1occc1C(=O)OC 62a_100000210202_100011935261 [0,1,0,0,1,0|1,1,0]=4 4172 B12R1.291 CCSc1sccc1C(=O)OC 62a_100000210202_100009822520 [0,1,0,0,1,0|1,1,0]=4 4173 B12R1.291 CCSc1sccc1C(=O)OC 62a_100009822520_100000210202 [0,1,0,0,1,0|1,1,0]=4 4174 B12R1.291 CNCc1ccoc1C(=O)OC 2230a_106832991635_100000734845 [0,1,0,0,1,0|2,0,0]=4 4175 B12R1.291 CNCc1ccoc1C(=O)OC 34a_100102657272_100000734845 [0,1,0,0,1,0|2,0,0]=4 4176 B12R1.291 CNCc1ccoc1C(=O)OC 7a_106832991635_100000734845 [0,1,0,0,1,0|2,0,0]=4 4177 B12R1.291 CNCc1occc1C(=O)OC 2230a_106832991635_100009813464 [0,1,0,0,1,0|2,0,0]=4 4178 B12R1.291 CNCc1occc1C(=O)OC 34a_100102657272_100009813464 [0,1,0,0,1,0|2,0,0]=4 4179 B12R1.291 CNCc1occc1C(=O)OC 7a_106832991635_100009813464 [0,1,0,0,1,0|2,0,0]=4 4180 B12R1.291 COC(=O)c1[nH]ccc1OCF 34a_100000131702_100015361967 [0,1,0,0,1,0|1,0,0]=3 4181 B12R1.291 COC(=O)c1[nH]ccc1SCF 62a_100015361967_100102525103 [0,1,0,0,1,0|1,1,0]=4 4182 B12R1.291 COC(=O)c1ccoc1CSC 62a_100009813464_200000210301 [0,1,0,0,1,0|1,1,0]=4 4183 B12R1.291 COC(=O)c1ccoc1CSC 62a_200000210301_100009813464 [0,1,0,0,1,0|1,1,0]=4 4184 B12R1.291 COC(=O)c1ccoc1CS[13CH3] 62a_100009813464_200025704644 [0,1,0,0,1,0|1,1,0]=4 4185 B12R1.291 COC(=O)c1ccoc1CS[13CH3] 62a_200025704644_100009813464 [0,1,0,0,1,0|1,1,0]=4 4186 B12R1.291 COC(=O)c1ccoc1SCF 62a_100015361967_100011935261 [0,1,0,0,1,0|1,1,0]=4 4187 B12R1.291 COC(=O)c1ccsc1SCF 62a_100009822520_100015361967 [0,1,0,0,1,0|1,1,0]=4 4188 B12R1.291 COC(=O)c1ccsc1SCF 62a_100015361967_100009822520 [0,1,0,0,1,0|1,1,0]=4 4189 B12R1.291 COC(=O)c1cscc1SCF 62a_100012351140_100015361967 [0,1,0,0,1,0|1,1,0]=4 4190 B12R1.291 COC(=O)c1cscc1SCF 62a_100015361967_100012351140 [0,1,0,0,1,0|1,1,0]=4 4191 B12R1.291 COC(=O)c1occc1CSC 62a_200000210301_100000734845 [0,1,0,0,1,0|1,1,0]=4 4192 B12R1.291 COC(=O)c1occc1CS[13CH3] 62a_200025704644_100000734845 [0,1,0,0,1,0|1,1,0]=4 4193 B12R1.291 COC(=O)c1occc1SCF 62a_100015361967_100012676306 [0,1,0,0,1,0|1,1,0]=4 4194 B12R1.291 COC(=O)c1sccc1OCF 7a_100000043449_100015361967 [0,1,0,0,1,0|1,0,0]=3 4195 B12R1.291 COC(=O)c1sccc1SCF 62a_100015361967_100000730364 [0,1,0,0,1,0|1,1,0]=4 4196 B12R1.291 COCc1ccoc1C(=O)OC 34a_100138415774_100000734845 [0,1,0,0,1,0|1,0,0]=3 4197 B12R1.291 COCc1occc1C(=O)OC 34a_100138415774_100009813464 [0,1,0,0,1,0|1,0,0]=3 4198 B12R1.316 CCOC(=O)c1ccsc1SC 62a_200000210301_100010219215 [0,1,0,0,1,0|1,1,0]=4 4199 B12R1.316 CCOC(=O)c1ccsc1S[13CH3] 62a_200025704644_100010219215 [0,1,0,0,1,0|1,1,0]=4 4200 B12R1.316 CCOC(=O)c1cscc1SC 62a_200000210301_100012353568 [0,1,0,0,1,0|1,1,0]=4 4201 B12R1.316 CCOC(=O)c1cscc1S[13CH3] 62a_200025704644_100012353568 [0,1,0,0,1,0|1,1,0]=4 4202 B12R1.368 C=C(C)c1cc[nH]c1C(=O)OC 271570a_100000694244_100102525103 [0,1,0,0,1,0|2,0,0]=4 4203 B12R1.368 C=C(C)c1ccoc1C(=O)OC 271570a_100000694244_100012676306 [0,1,0,0,1,0|2,0,0]=4 4204 B12R1.368 C=C(C)c1ccsc1C(=O)OC 271570a_100000694244_100000730364 [0,1,0,0,1,0|2,0,0]=4 4205 B12R1.368 C=C(C)c1cscc1C(=O)OC 271570a_100000694244_100012351140 [0,1,0,0,1,0|2,0,0]=4 4206 B12R1.368 C=C(C)c1occc1C(=O)OC 271570a_100000694244_100011935261 [0,1,0,0,1,0|2,0,0]=4 4207 B12R1.368 C=C(C)c1sccc1C(=O)OC 271570a_100000694244_100009822520 [0,1,0,0,1,0|2,0,0]=4 4208 B12R1.658 COC(=O)c1c(csc1N)SC 62a_200010874472_200000210301 [0,1,0,0,1,0|1,1,0]=4 4209 B12R1.658 COC(=O)c1c(csc1N)S[13CH3] 62a_200010874472_200025704644 [0,1,0,0,1,0|1,1,0]=4 4210 B12R1.743 COC(=O)c1csc(c1OC)O 271570a_203496583355_100010277438 [0,1,0,0,1,0|1,0,0]=3 4211 B12R1.743 COC(=O)c1scc(c1OC)Br 34a_100009812821_200000210301 [0,1,0,0,1,0|1,0,0]=3 4212 B12R1.743 COC(=O)c1scc(c1OC)Cl 34a_200009884760_200000210301 [0,1,0,0,1,0|1,0,0]=3 4213 B12R1.743 COC(=O)c1scc(c1OC)Cl 7a_200009884760_200000210301 [0,1,0,0,1,0|1,0,0]=3 4214 B12R1.743 COC(=O)c1scc(c1OC)O 271570a_203496583355_200009814288 [0,1,0,0,1,0|1,0,0]=3 4215 B12R1.743 COC(=O)c1scc(c1O[13CH3])Br 34a_100009812821_200025704644 [0,1,0,0,1,0|1,0,0]=3 4216 B12R1.743 COC(=O)c1scc(c1O[13CH3])Cl 34a_200009884760_200025704644 [0,1,0,0,1,0|1,0,0]=3 4217 B12R1.743 COC(=O)c1scc(c1O[13CH3])Cl 7a_200009884760_200025704644 [0,1,0,0,1,0|1,0,0]=3 4218 B12R1.743 COC(=O)c1scc(c1SC)C 62a_200000210301_100000716566 [0,1,0,0,1,0|1,1,0]=4 4219 B12R1.743 COC(=O)c1scc(c1S[13CH3])C 62a_200025704644_100000716566 [0,1,0,0,1,0|1,1,0]=4 4220 B12R1.1926 COC(=O)c1cc(sc1SC)C 62a_100009817063_200000210301 [0,1,0,0,1,0|1,1,0]=4 4221 B12R1.1926 COC(=O)c1cc(sc1SC)C 62a_200000210301_100009817063 [0,1,0,0,1,0|1,1,0]=4 4222 B12R1.1926 COC(=O)c1cc(sc1S[13CH3])C 62a_100009817063_200025704644 [0,1,0,0,1,0|1,1,0]=4 4223 B12R1.1926 COC(=O)c1cc(sc1S[13CH3])C 62a_200025704644_100009817063 [0,1,0,0,1,0|1,1,0]=4 4224 B12R1.1926 COC(=O)c1sc(cc1OC)C 34a_100000011496_200000210301 [0,1,0,0,1,0|1,0,0]=3 4225 B12R1.1926 COC(=O)c1sc(cc1OC)C 7a_100000011496_200000210301 [0,1,0,0,1,0|1,0,0]=3 4226 B12R1.1926 COC(=O)c1sc(cc1OC)Cl 34a_100009884761_200000210301 [0,1,0,0,1,0|1,0,0]=3 4227 B12R1.1926 COC(=O)c1sc(cc1OC)Cl 7a_100009884761_200000210301 [0,1,0,0,1,0|1,0,0]=3 4228 B12R1.1926 COC(=O)c1sc(cc1O[13CH3])C 34a_100000011496_200025704644 [0,1,0,0,1,0|1,0,0]=3 4229 B12R1.1926 COC(=O)c1sc(cc1O[13CH3])C 7a_100000011496_200025704644 [0,1,0,0,1,0|1,0,0]=3 4230 B12R1.1926 COC(=O)c1sc(cc1O[13CH3])Cl 34a_100009884761_200025704644 [0,1,0,0,1,0|1,0,0]=3 4231 B12R1.1926 COC(=O)c1sc(cc1O[13CH3])Cl 7a_100009884761_200025704644 [0,1,0,0,1,0|1,0,0]=3 4232 B12R1.1926 COC(=O)c1sc(cc1SC)C 62a_100009817204_200000210301 [0,1,0,0,1,0|1,1,0]=4 4233 B12R1.1926 COC(=O)c1sc(cc1SC)C 62a_200000210301_100009817204 [0,1,0,0,1,0|1,1,0]=4 4234 B12R1.1926 COC(=O)c1sc(cc1S[13CH3])C 62a_100009817204_200025704644 [0,1,0,0,1,0|1,1,0]=4 4235 B12R1.1926 COC(=O)c1sc(cc1S[13CH3])C 62a_200025704644_100009817204 [0,1,0,0,1,0|1,1,0]=4 4236 B14R1.95 C=CC(=O)N(C)c1ccccc1OC 1626a_100000219746_100000185746 [0,1,0,0,0,1|1,0,1]=4 4237 B14R1.95 C=CC(=O)N(C)c1ccccc1OC 22a_100000219746_100000185746 [0,1,0,0,0,1|1,0,1]=4 4238 B14R1.95 C=Cc1ccccc1C(=O)C(=O)OC 271570a_100011290941_200010133017 [0,1,0,0,0,1|1,0,1]=4 4239 B14R1.95 C=Cc1ccccc1C(O)C(=O)OC 271570a_100011290941_200011625927 [0,1,0,0,0,1|1,0,1]=4 4240 B14R1.95 CCC(=O)C(C)c1ccccc1OC 1458a_100011435281_100000210202 [0,1,0,0,0,1|1,0,0]=3 4241 B14R1.95 CCC(=O)N(C)c1ccccc1OC 11a_100000219746_100000210414 [0,1,0,0,0,1|1,0,0]=3 4242 B14R1.95 CCC(=O)N(C)c1ccccc1OC 1626a_100000219746_100000210414 [0,1,0,0,0,1|1,0,0]=3 4243 B14R1.95 CCC(=O)N(C)c1ccccc1OC 22a_100000219746_100000210414 [0,1,0,0,0,1|1,0,0]=3 4244 B14R1.95 CNC(=O)C(C)c1ccccc1OC 11a_106832991635_100011435281 [0,1,0,0,0,1|1,0,0]=3 4245 B14R1.95 CNC(=O)C(C)c1ccccc1OC 1626a_100102657272_100011435281 [0,1,0,0,0,1|1,0,0]=3 4246 B14R1.95 CNC(=O)C(C)c1ccccc1OC 240690a_100102657272_100011435281 [0,1,0,0,0,1|1,0,0]=3 4247 B14R1.95 CNC(=O)C(C)c1ccccc1OC 527a_100102657272_100011435281 [0,1,0,0,0,1|1,0,0]=3 4248 B14R1.95 CNC(=O)N(C)c1ccccc1OC 512a_106832991638_100000219746 [0,1,0,0,0,1|1,0,0]=3 4249 B14R1.95 COC(=O)C(=O)c1ccccc1SC 62a_200010133017_200000210301 [0,1,0,0,0,1|0,1,0]=3 4250 B14R1.95 COC(=O)C(=O)c1ccccc1S[13CH3] 62a_200010133017_200025704644 [0,1,0,0,0,1|0,1,0]=3 4251 B14R1.95 COC(=O)C(O)c1ccccc1SC 62a_200000210301_200011625927 [0,1,0,0,0,1|0,1,0]=3 4252 B14R1.95 COC(=O)C(O)c1ccccc1SC 62a_200011625927_200000210301 [0,1,0,0,0,1|0,1,0]=3 4253 B14R1.95 COC(=O)C(O)c1ccccc1S[13CH3] 62a_200011625927_200025704644 [0,1,0,0,0,1|0,1,0]=3 4254 B14R1.95 COC(=O)C(O)c1ccccc1S[13CH3] 62a_200025704644_200011625927 [0,1,0,0,0,1|0,1,0]=3 4255 B14R1.95 COC(=O)[C@H](N)c1ccccc1OC 34a_100138412456_200000210301 [0,1,0,0,0,1|0,0,0]=2 4256 B14R1.95 COC(=O)[C@H](N)c1ccccc1O[13CH3] 34a_100138412456_200025704644 [0,1,0,0,0,1|0,0,0]=2 4257 B14R1.95 COc1ccccc1C(C)C(=O)CF 1458a_100011435281_100015361967 [0,1,0,0,0,1|2,0,0]=4 4258 B14R1.95 COc1ccccc1N(C)C(=O)CO 22a_100000219746_100000210174 [0,1,0,0,0,1|2,0,0]=4 4259 B14R1.95 COc1ccccc1N(C)C(C)OC 269982a_100000219746_100009879195 [0,1,0,0,0,1|1,0,1]=4 4260 B14R1.483 C=C=Cc1ccccc1CC(=O)OC 271570a_100015277604_100000699816 [0,1,0,0,0,1|1,0,1]=4 4261 B14R1.483 C=C=Cc1ccccc1NC(=O)OC 271570a_100015277604_100000216184 [0,1,0,0,0,1|1,0,1]=4 4262 B14R1.483 C=CC(=O)Nc1ccccc1OCC 1626a_100000211218_100000185746 [0,1,0,0,0,1|1,0,1]=4 4263 B14R1.483 C=CC(=O)Nc1ccccc1OCC 22a_100000211218_100000185746 [0,1,0,0,0,1|1,0,1]=4 4264 B14R1.483 CC=Cc1ccccc1CC(=O)NC 271570a_100016259895_200009816160 [0,1,0,0,0,1|2,0,0]=4 4265 B14R1.483 CC=Cc1ccccc1CC(=O)OC 271570a_100016259895_100000699816 [0,1,0,0,0,1|1,0,0]=3 4266 B14R1.483 CC=Cc1ccccc1NC(=O)CC 271570a_100016259895_100000153536 [0,1,0,0,0,1|2,0,0]=4 4267 B14R1.483 CC=Cc1ccccc1NC(=O)OC 271570a_100016259895_100000216184 [0,1,0,0,0,1|1,0,0]=3 4268 B14R1.483 CC=Cc1cccnc1CC(=O)OC 271570a_100016259895_100012347948 [0,1,0,0,0,1|2,0,0]=4 4269 B14R1.483 CC=Cc1ncccc1CC(=O)OC 271570a_100016259895_100010293180 [0,1,0,0,0,1|2,0,0]=4 4270 B14R1.483 CCC(=O)Nc1ccccc1CCO 22a_100011215289_100000210414 [0,1,0,0,0,1|2,0,0]=4 4271 B14R1.483 CCC(=O)Nc1ccccc1CCO 527a_100011215289_100000210414 [0,1,0,0,0,1|2,0,0]=4 4272 B14R1.483 CCC(=O)Nc1ccccc1SCF 62a_100015361967_100000153536 [0,1,0,0,0,1|1,1,0]=4 4273 B14R1.483 CCCc1ccccc1NC(=O)CC 11a_100000737634_100000210414 [0,1,0,0,0,1|2,0,0]=4 4274 B14R1.483 CCCc1ccccc1NC(=O)CC 1626a_100000737634_100000210414 [0,1,0,0,0,1|2,0,0]=4 4275 B14R1.483 CCCc1ccccc1NC(=O)CC 22a_100000737634_100000210414 [0,1,0,0,0,1|2,0,0]=4 4276 B14R1.483 CCCc1ccccc1NC(=O)CC 527a_100000737634_100000210414 [0,1,0,0,0,1|2,0,0]=4 4277 B14R1.483 CCCc1ccccc1NC(=O)NC 2430a_100000737634_100102657272 [0,1,0,0,0,1|2,0,0]=4 4278 B14R1.483 CCCc1ccccc1NC(=O)NC 512a_100000737634_100102657272 [0,1,0,0,0,1|2,0,0]=4 4279 B14R1.483 CCNc1ccccc1CC(=O)NC 2230a_100000738506_100000210202 [0,1,0,0,0,1|2,0,0]=4 4280 B14R1.483 CCNc1ccccc1CC(=O)NC 34a_100000738506_100000210202 [0,1,0,0,0,1|2,0,0]=4 4281 B14R1.483 CCOc1ccccc1CC(=O)CC 1458a_100011247627_100000210202 [0,1,0,0,0,1|1,0,0]=3 4282 B14R1.483 CCOc1ccccc1CC(=O)CF 1458a_100011247627_100015361967 [0,1,0,0,0,1|2,0,0]=4 4283 B14R1.483 CCOc1ccccc1CC(=O)NC 11a_106832991635_100011247627 [0,1,0,0,0,1|1,0,0]=3 4284 B14R1.483 CCOc1ccccc1CC(=O)NC 1626a_100102657272_100011247627 [0,1,0,0,0,1|1,0,0]=3 4285 B14R1.483 CCOc1ccccc1CC(=O)NC 240690a_100102657272_100011247627 [0,1,0,0,0,1|1,0,0]=3 4286 B14R1.483 CCOc1ccccc1CC(=O)NC 527a_100102657272_100011247627 [0,1,0,0,0,1|1,0,0]=3 4287 B14R1.483 CCOc1ccccc1CC(=O)NN 34a_200012021708_100000210202 [0,1,0,0,0,1|2,0,0]=4 4288 B14R1.483 CCOc1ccccc1CC(=O)OC 7a_100000758901_100000210202 [0,1,0,0,0,1|0,0,0]=2 4289 B14R1.483 CCOc1ccccc1NC(=O)CC 11a_100000211218_100000210414 [0,1,0,0,0,1|1,0,0]=3 4290 B14R1.483 CCOc1ccccc1NC(=O)CC 1626a_100000211218_100000210414 [0,1,0,0,0,1|1,0,0]=3 4291 B14R1.483 CCOc1ccccc1NC(=O)CC 22a_100000211218_100000210414 [0,1,0,0,0,1|1,0,0]=3 4292 B14R1.483 CCOc1ccccc1NC(=O)CCl 7a_100000014494_100000210202 [0,1,0,0,0,1|2,0,0]=4 4293 B14R1.483 CCOc1ccccc1NC(=O)CO 22a_100000211218_100000210174 [0,1,0,0,0,1|2,0,0]=4 4294 B14R1.483 CCOc1ccccc1NC(=O)NC 2430a_100000211218_100102657272 [0,1,0,0,0,1|1,0,0]=3 4295 B14R1.483 CCOc1ccccc1SC(C)OC 62a_100000230754_100009879195 [0,1,0,0,0,1|1,0,1]=4 4296 B14R1.483 CCOc1ccccc1SC(C)OC 62a_100009879195_100000230754 [0,1,0,0,0,1|1,0,1]=4 4297 B14R1.483 CCSc1ccccc1CC(=O)NC 62a_100000210202_200009816160 [0,1,0,0,0,1|1,1,0]=4 4298 B14R1.483 CCSc1ccccc1CC(=O)NC 62a_200009816160_100000210202 [0,1,0,0,0,1|1,1,0]=4 4299 B14R1.483 CCSc1ccccc1CC(=O)OC 62a_100000210202_100000699816 [0,1,0,0,0,1|0,1,0]=3 4300 B14R1.483 CCSc1ccccc1CC(=O)OC 62a_100000699816_100000210202 [0,1,0,0,0,1|0,1,0]=3 4301 B14R1.483 CCSc1ccccc1NC(=O)CC 11a_100011223125_100000210414 [0,1,0,0,0,1|1,1,0]=4 4302 B14R1.483 CCSc1ccccc1NC(=O)CC 1626a_100011223125_100000210414 [0,1,0,0,0,1|1,1,0]=4 4303 B14R1.483 CCSc1ccccc1NC(=O)CC 22a_100011223125_100000210414 [0,1,0,0,0,1|1,1,0]=4 4304 B14R1.483 CCSc1ccccc1NC(=O)CC 62a_100000210202_100000153536 [0,1,0,0,0,1|1,1,0]=4 4305 B14R1.483 CCSc1ccccc1NC(=O)NC 2430a_100011223125_100102657272 [0,1,0,0,0,1|1,1,0]=4 4306 B14R1.483 CCSc1ccccc1NC(=O)NC 512a_100011223125_100102657272 [0,1,0,0,0,1|1,1,0]=4 4307 B14R1.483 CCSc1ccccc1NC(=O)OC 62a_100000210202_100000216184 [0,1,0,0,0,1|0,1,0]=3 4308 B14R1.483 CCSc1cccnc1CC(=O)OC 62a_100000210202_100012347948 [0,1,0,0,0,1|1,1,0]=4 4309 B14R1.483 CCSc1cccnc1CC(=O)OC 62a_100012347948_100000210202 [0,1,0,0,0,1|1,1,0]=4 4310 B14R1.483 CCSc1ncccc1CC(=O)OC 62a_100000210202_100010293180 [0,1,0,0,0,1|1,1,0]=4 4311 B14R1.483 CCSc1ncccc1CC(=O)OC 62a_100010293180_100000210202 [0,1,0,0,0,1|1,1,0]=4 4312 B14R1.483 CNC(=O)Cc1ccccc1NCF 34a_100000738506_100015361967 [0,1,0,0,0,1|2,0,0]=4 4313 B14R1.483 CNC(=O)Cc1ccccc1SCF 62a_100015361967_200009816160 [0,1,0,0,0,1|1,1,0]=4 4314 B14R1.483 CNC(=O)Cc1ccccc1SCF 62a_200009816160_100015361967 [0,1,0,0,0,1|1,1,0]=4 4315 B14R1.483 CNCc1ccccc1CC(=O)OC 2230a_106832991635_100000094086 [0,1,0,0,0,1|1,0,0]=3 4316 B14R1.483 CNCc1ccccc1CC(=O)OC 34a_100102657272_100000094086 [0,1,0,0,0,1|1,0,0]=3 4317 B14R1.483 CNCc1ccccc1CC(=O)OC 7a_106832991635_100000094086 [0,1,0,0,0,1|1,0,0]=3 4318 B14R1.483 COC(=O)Cc1ccccc1CSC 62a_100000094086_200000210301 [0,1,0,0,0,1|0,1,0]=3 4319 B14R1.483 COC(=O)Cc1ccccc1CSC 62a_200000210301_100000094086 [0,1,0,0,0,1|0,1,0]=3 4320 B14R1.483 COC(=O)Cc1ccccc1CS[13CH3] 62a_100000094086_200025704644 [0,1,0,0,0,1|0,1,0]=3 4321 B14R1.483 COC(=O)Cc1ccccc1CS[13CH3] 62a_200025704644_100000094086 [0,1,0,0,0,1|0,1,0]=3 4322 B14R1.483 COC(=O)Cc1ccccc1OCF 7a_100000758901_100015361967 [0,1,0,0,0,1|0,0,0]=2 4323 B14R1.483 COC(=O)Cc1ccccc1SCF 62a_100000699816_100015361967 [0,1,0,0,0,1|0,1,0]=3 4324 B14R1.483 COC(=O)Cc1ccccc1SCF 62a_100015361967_100000699816 [0,1,0,0,0,1|0,1,0]=3 4325 B14R1.483 COC(=O)Cc1cccnc1SCF 62a_100010293180_100015361967 [0,1,0,0,0,1|1,1,0]=4 4326 B14R1.483 COC(=O)Cc1cccnc1SCF 62a_100015361967_100010293180 [0,1,0,0,0,1|1,1,0]=4 4327 B14R1.483 COC(=O)Cc1ncccc1SCF 62a_100012347948_100015361967 [0,1,0,0,0,1|1,1,0]=4 4328 B14R1.483 COC(=O)Cc1ncccc1SCF 62a_100015361967_100012347948 [0,1,0,0,0,1|1,1,0]=4 4329 B14R1.483 COC(=O)Nc1ccccc1SCF 62a_100015361967_100000216184 [0,1,0,0,0,1|0,1,0]=3 4330 B14R1.483 COCc1ccccc1CC(=O)OC 34a_100138415774_100000094086 [0,1,0,0,0,1|0,0,0]=2 4331 B14R1.483 COCc1ccccc1SC(C)OC 62a_100009879195_100011493684 [0,1,0,0,0,1|1,0,1]=4 4332 B14R1.483 COCc1ccccc1SC(C)OC 62a_100011493684_100009879195 [0,1,0,0,0,1|1,0,1]=4 4333 B14R1.483 NNC(=O)Cc1ccccc1OCF 34a_200012021708_100015361967 [0,1,0,0,0,1|2,0,0]=4 4334 B14R1.483 O=C(CCl)Nc1ccccc1OCF 7a_100000014494_100015361967 [0,1,0,0,0,1|2,0,0]=4 4335 B14R1.965 C#CCC(=O)Cc1ccccc1OC 1458a_100000211604_100000184674 [0,1,0,0,0,1|1,0,1]=4 4336 B14R1.965 C#CCC(=O)Cc1ccccc1OC 1458a_100011220946_100000210004 [0,1,0,0,0,1|1,0,1]=4 4337 B14R1.965 C#CCC(=O)Nc1ccccc1OC 1626a_100000210025_100011220946 [0,1,0,0,0,1|1,0,1]=4 4338 B14R1.965 C#CCC(=O)Nc1ccccc1OC 527a_100000210025_100011220946 [0,1,0,0,0,1|1,0,1]=4 4339 B14R1.965 C#Cc1ccccc1NC(=O)COC 11a_100011470550_100000210968 [0,1,0,0,0,1|1,0,1]=4 4340 B14R1.965 C#Cc1ccccc1NC(=O)COC 1626a_100011470550_100000210968 [0,1,0,0,0,1|1,0,1]=4 4341 B14R1.965 C#Cc1ccccc1NC(=O)COC 22a_100011470550_100000210968 [0,1,0,0,0,1|1,0,1]=4 4342 B14R1.965 C=CCC(=O)Cc1ccccc1OC 1458a_100000210193_100000210004 [0,1,0,0,0,1|1,0,1]=4 4343 B14R1.965 C=CCC(=O)Cc1ccccc1OC 1458a_100000211604_100000210623 [0,1,0,0,0,1|1,0,1]=4 4344 B14R1.965 C=CCC(=O)Nc1ccccc1OC 11a_100000210025_100000210193 [0,1,0,0,0,1|1,0,1]=4 4345 B14R1.965 C=CCC(=O)Nc1ccccc1OC 1626a_100000210025_100000210193 [0,1,0,0,0,1|1,0,1]=4 4346 B14R1.965 C=CCC(=O)Nc1ccccc1OC 22a_100000210025_100000210193 [0,1,0,0,0,1|1,0,1]=4 4347 B14R1.965 C=CCC(=O)Nc1ccccc1OC 527a_100000210025_100000210193 [0,1,0,0,0,1|1,0,1]=4 4348 B14R1.965 C=Cc1ccccc1CC(=O)OCC 271570a_100011290941_100011218996 [0,1,0,0,0,1|1,0,1]=4 4349 B14R1.965 C=Cc1ccccc1NC(=O)COC 11a_100012022501_100000210968 [0,1,0,0,0,1|1,0,1]=4 4350 B14R1.965 C=Cc1ccccc1NC(=O)COC 1626a_100012022501_100000210968 [0,1,0,0,0,1|1,0,1]=4 4351 B14R1.965 C=Cc1ccccc1NC(=O)COC 22a_100012022501_100000210968 [0,1,0,0,0,1|1,0,1]=4 4352 B14R1.965 C=Cc1ccccc1NC(=O)COC 271570a_100011290941_200000158336 [0,1,0,0,0,1|1,0,1]=4 4353 B14R1.965 CC#CC(=O)Cc1ccccc1OC 1458a_100000763181_100000210004 [0,1,0,0,0,1|1,0,0]=3 4354 B14R1.965 CC#CC(=O)Cc1ccccc1SC 1458a_100000763181_100000699184 [0,1,0,0,0,1|1,1,0]=4 4355 B14R1.965 CC#CC(=O)Cc1cccnc1OC 1458a_100000763181_100020631285 [0,1,0,0,0,1|2,0,0]=4 4356 B14R1.965 CC#CC(=O)Cc1ccncc1OC 1458a_100000763181_100020635607 [0,1,0,0,0,1|2,0,0]=4 4357 B14R1.965 CC#CC(=O)Nc1ccccc1CC 22a_100000212081_100000763181 [0,1,0,0,0,1|2,0,0]=4 4358 B14R1.965 CC#CC(=O)Nc1ccccc1OC 22a_100000210025_100000763181 [0,1,0,0,0,1|1,0,0]=3 4359 B14R1.965 CC#CC(=O)Nc1ccccc1SC 22a_100000211160_100000763181 [0,1,0,0,0,1|1,1,0]=4 4360 B14R1.965 CC=CC(=O)Cc1ccccc1OC 1458a_100000210699_100000210004 [0,1,0,0,0,1|1,0,0]=3 4361 B14R1.965 CC=CC(=O)Cc1ccccc1SC 1458a_100000210699_100000699184 [0,1,0,0,0,1|1,1,0]=4 4362 B14R1.965 CC=CC(=O)Cc1cccnc1OC 1458a_100000210699_100020631285 [0,1,0,0,0,1|2,0,0]=4 4363 B14R1.965 CC=CC(=O)Cc1ccncc1OC 1458a_100000210699_100020635607 [0,1,0,0,0,1|2,0,0]=4 4364 B14R1.965 CC=CC(=O)Nc1ccccc1CC 11a_100000212081_100000210699 [0,1,0,0,0,1|2,0,0]=4 4365 B14R1.965 CC=CC(=O)Nc1ccccc1CC 1626a_100000212081_100000210699 [0,1,0,0,0,1|2,0,0]=4 4366 B14R1.965 CC=CC(=O)Nc1ccccc1CC 22a_100000212081_100000210699 [0,1,0,0,0,1|2,0,0]=4 4367 B14R1.965 CC=CC(=O)Nc1ccccc1OC 11a_100000210025_100000210699 [0,1,0,0,0,1|1,0,0]=3 4368 B14R1.965 CC=CC(=O)Nc1ccccc1OC 1626a_100000210025_100000210699 [0,1,0,0,0,1|1,0,0]=3 4369 B14R1.965 CC=CC(=O)Nc1ccccc1OC 22a_100000210025_100000210699 [0,1,0,0,0,1|1,0,0]=3 4370 B14R1.965 CC=CC(=O)Nc1ccccc1SC 11a_100000211160_100000210699 [0,1,0,0,0,1|1,1,0]=4 4371 B14R1.965 CC=CC(=O)Nc1ccccc1SC 22a_100000211160_100000210699 [0,1,0,0,0,1|1,1,0]=4 4372 B14R1.965 CCCC(=O)Cc1ccccc1OC 1458a_100000211604_100000210303 [0,1,0,0,0,1|1,0,0]=3 4373 B14R1.965 CCCC(=O)Cc1ccccc1OC 1458a_100000211992_100000210004 [0,1,0,0,0,1|1,0,0]=3 4374 B14R1.965 CCCC(=O)Cc1ccccc1SC 1458a_100000211992_100000699184 [0,1,0,0,0,1|1,1,0]=4 4375 B14R1.965 CCCC(=O)Cc1cccnc1OC 1458a_100000211992_100020631285 [0,1,0,0,0,1|2,0,0]=4 4376 B14R1.965 CCCC(=O)Cc1ccncc1OC 1458a_100000211992_100020635607 [0,1,0,0,0,1|2,0,0]=4 4377 B14R1.965 CCCC(=O)Nc1ccccc1CC 11a_100000212081_100000211992 [0,1,0,0,0,1|2,0,0]=4 4378 B14R1.965 CCCC(=O)Nc1ccccc1CC 1626a_100000212081_100000211992 [0,1,0,0,0,1|2,0,0]=4 4379 B14R1.965 CCCC(=O)Nc1ccccc1CC 22a_100000212081_100000211992 [0,1,0,0,0,1|2,0,0]=4 4380 B14R1.965 CCCC(=O)Nc1ccccc1CC 527a_100000212081_100000211992 [0,1,0,0,0,1|2,0,0]=4 4381 B14R1.965 CCCC(=O)Nc1ccccc1OC 11a_100000210025_100000211992 [0,1,0,0,0,1|1,0,0]=3 4382 B14R1.965 CCCC(=O)Nc1ccccc1OC 1626a_100000210025_100000211992 [0,1,0,0,0,1|1,0,0]=3 4383 B14R1.965 CCCC(=O)Nc1ccccc1OC 22a_100000210025_100000211992 [0,1,0,0,0,1|1,0,0]=3 4384 B14R1.965 CCCC(=O)Nc1ccccc1OC 527a_100000210025_100000211992 [0,1,0,0,0,1|1,0,0]=3 4385 B14R1.965 CCCC(=O)Nc1ccccc1SC 11a_100000211160_100000211992 [0,1,0,0,0,1|1,1,0]=4 4386 B14R1.965 CCCC(=O)Nc1ccccc1SC 22a_100000211160_100000211992 [0,1,0,0,0,1|1,1,0]=4 4387 B14R1.965 CCCC(=O)Nc1ccccc1SC 62a_200000210301_100000153530 [0,1,0,0,0,1|1,1,0]=4 4388 B14R1.965 CCCC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153530 [0,1,0,0,0,1|1,1,0]=4 4389 B14R1.965 CCNC(=O)Cc1ccccc1OC 11a_100015525214_100000211604 [0,1,0,0,0,1|1,0,0]=3 4390 B14R1.965 CCNC(=O)Cc1ccccc1OC 240690a_100015525214_100000211604 [0,1,0,0,0,1|1,0,0]=3 4391 B14R1.965 CCNC(=O)Cc1ccccc1OC 527a_100015525214_100000211604 [0,1,0,0,0,1|1,0,0]=3 4392 B14R1.965 CCNC(=O)Cc1ccccc1SC 62a_200000210301_200009816148 [0,1,0,0,0,1|1,1,0]=4 4393 B14R1.965 CCNC(=O)Cc1ccccc1SC 62a_200009816148_200000210301 [0,1,0,0,0,1|1,1,0]=4 4394 B14R1.965 CCNC(=O)Cc1ccccc1S[13CH3] 62a_200009816148_200025704644 [0,1,0,0,0,1|1,1,0]=4 4395 B14R1.965 CCNC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_200009816148 [0,1,0,0,0,1|1,1,0]=4 4396 B14R1.965 CCNC(=O)Nc1ccccc1CC 2430a_100000212081_100015525214 [0,1,0,0,0,1|2,0,0]=4 4397 B14R1.965 CCNC(=O)Nc1ccccc1OC 2430a_100000210025_100015525214 [0,1,0,0,0,1|1,0,0]=3 4398 B14R1.965 CCNC(=O)Nc1ccccc1SC 2430a_100000211160_100015525214 [0,1,0,0,0,1|1,1,0]=4 4399 B14R1.965 CCNC(=O)Nc1ccccc1SC 512a_100000211160_100015525214 [0,1,0,0,0,1|1,1,0]=4 4400 B14R1.965 CCOC(=O)Cc1ccccc1OC 7a_100011742756_200000210301 [0,1,0,0,0,1|0,0,0]=2 4401 B14R1.965 CCOC(=O)Cc1ccccc1O[13CH3] 7a_100011742756_200025704644 [0,1,0,0,0,1|0,0,0]=2 4402 B14R1.965 CCOC(=O)Cc1ccccc1SC 62a_100011218996_200000210301 [0,1,0,0,0,1|0,1,0]=3 4403 B14R1.965 CCOC(=O)Cc1ccccc1SC 62a_200000210301_100011218996 [0,1,0,0,0,1|0,1,0]=3 4404 B14R1.965 CCOC(=O)Cc1ccccc1S[13CH3] 62a_100011218996_200025704644 [0,1,0,0,0,1|0,1,0]=3 4405 B14R1.965 CCOC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011218996 [0,1,0,0,0,1|0,1,0]=3 4406 B14R1.965 CCOC(=O)Cc1cccnc1SC 62a_100009886914_200000210301 [0,1,0,0,0,1|1,1,0]=4 4407 B14R1.965 CCOC(=O)Cc1cccnc1SC 62a_200000210301_100009886914 [0,1,0,0,0,1|1,1,0]=4 4408 B14R1.965 CCOC(=O)Cc1cccnc1S[13CH3] 62a_100009886914_200025704644 [0,1,0,0,0,1|1,1,0]=4 4409 B14R1.965 CCOC(=O)Cc1cccnc1S[13CH3] 62a_200025704644_100009886914 [0,1,0,0,0,1|1,1,0]=4 4410 B14R1.965 CCOC(=O)Cc1ccncc1SC 62a_100010089795_200000210301 [0,1,0,0,0,1|1,1,0]=4 4411 B14R1.965 CCOC(=O)Cc1ccncc1SC 62a_200000210301_100010089795 [0,1,0,0,0,1|1,1,0]=4 4412 B14R1.965 CCOC(=O)Cc1ccncc1S[13CH3] 62a_100010089795_200025704644 [0,1,0,0,0,1|1,1,0]=4 4413 B14R1.965 CCOC(=O)Cc1ccncc1S[13CH3] 62a_200025704644_100010089795 [0,1,0,0,0,1|1,1,0]=4 4414 B14R1.965 CCOC(=O)Cc1ncccc1SC 62a_100016306959_200000210301 [0,1,0,0,0,1|1,1,0]=4 4415 B14R1.965 CCOC(=O)Cc1ncccc1SC 62a_200000210301_100016306959 [0,1,0,0,0,1|1,1,0]=4 4416 B14R1.965 CCOC(=O)Cc1ncccc1S[13CH3] 62a_100016306959_200025704644 [0,1,0,0,0,1|1,1,0]=4 4417 B14R1.965 CCOC(=O)Cc1ncccc1S[13CH3] 62a_200025704644_100016306959 [0,1,0,0,0,1|1,1,0]=4 4418 B14R1.965 CCOC(C)Cc1ccccc1OC 7a_100000691916_100000210202 [0,1,0,0,0,1|1,0,1]=4 4419 B14R1.965 CCOC(C)Oc1ccccc1OC 34a_100000040939_200000210301 [0,1,0,0,0,1|1,0,1]=4 4420 B14R1.965 CCOC(C)Oc1ccccc1OC 7a_100000040939_200000210301 [0,1,0,0,0,1|1,0,1]=4 4421 B14R1.965 CCOC(C)Oc1ccccc1O[13CH3] 34a_100000040939_200025704644 [0,1,0,0,0,1|1,0,1]=4 4422 B14R1.965 CCOC(C)Oc1ccccc1O[13CH3] 7a_100000040939_200025704644 [0,1,0,0,0,1|1,0,1]=4 4423 B14R1.965 CCc1ccccc1NC(=O)CCO 22a_100000212081_100011216618 [0,1,0,0,0,1|2,0,0]=4 4424 B14R1.965 CCc1ccccc1NC(=O)CNC 2230a_106832991635_100000180193 [0,1,0,0,0,1|2,0,0]=4 4425 B14R1.965 CCc1ccccc1NC(=O)CNC 34a_100102657272_100000180193 [0,1,0,0,0,1|2,0,0]=4 4426 B14R1.965 CCc1ccccc1NC(=O)CNC 7a_106832991635_100000180193 [0,1,0,0,0,1|2,0,0]=4 4427 B14R1.965 CCc1ccccc1NC(=O)COC 11a_100000212081_100000210968 [0,1,0,0,0,1|1,0,0]=3 4428 B14R1.965 CCc1ccccc1NC(=O)COC 1626a_100000212081_100000210968 [0,1,0,0,0,1|1,0,0]=3 4429 B14R1.965 CCc1ccccc1NC(=O)COC 22a_100000212081_100000210968 [0,1,0,0,0,1|1,0,0]=3 4430 B14R1.965 CCc1ccccc1NC(=O)COC 34a_100138415774_100000180193 [0,1,0,0,0,1|1,0,0]=3 4431 B14R1.965 CCc1ccccc1NC(=O)COC 527a_100000212081_100000210968 [0,1,0,0,0,1|1,0,0]=3 4432 B14R1.965 CCc1ccccc1NC(=O)CSC 11a_100000212081_100000184570 [0,1,0,0,0,1|1,1,0]=4 4433 B14R1.965 CCc1ccccc1NC(=O)CSC 1626a_100000212081_100000184570 [0,1,0,0,0,1|1,1,0]=4 4434 B14R1.965 CCc1ccccc1NC(=O)CSC 22a_100000212081_100000184570 [0,1,0,0,0,1|1,1,0]=4 4435 B14R1.965 CCc1ccccc1NC(=O)CSC 527a_100000212081_100000184570 [0,1,0,0,0,1|1,1,0]=4 4436 B14R1.965 CCc1ccccc1NC(=O)CSC 62a_200000210301_100000180193 [0,1,0,0,0,1|1,1,0]=4 4437 B14R1.965 CCc1ccccc1NC(=O)CS[13CH3] 62a_200025704644_100000180193 [0,1,0,0,0,1|1,1,0]=4 4438 B14R1.965 CNCC(=O)Nc1ccccc1OC 2230a_106832991635_100000182883 [0,1,0,0,0,1|1,0,0]=3 4439 B14R1.965 CNCC(=O)Nc1ccccc1OC 34a_100102657272_100000182883 [0,1,0,0,0,1|1,0,0]=3 4440 B14R1.965 CNCC(=O)Nc1ccccc1OC 7a_106832991635_100000182883 [0,1,0,0,0,1|1,0,0]=3 4441 B14R1.965 CNCC(=O)Nc1ccccc1SC 2230a_106832991635_200000182989 [0,1,0,0,0,1|1,1,0]=4 4442 B14R1.965 CNCC(=O)Nc1ccccc1SC 34a_100102657272_200000182989 [0,1,0,0,0,1|1,1,0]=4 4443 B14R1.965 CNCC(=O)Nc1ccccc1SC 62a_200000210301_100000683491 [0,1,0,0,0,1|1,1,0]=4 4444 B14R1.965 CNCC(=O)Nc1ccccc1SC 7a_106832991635_200000182989 [0,1,0,0,0,1|1,1,0]=4 4445 B14R1.965 CNCC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000683491 [0,1,0,0,0,1|1,1,0]=4 4446 B14R1.965 CNNC(=O)Cc1ccccc1OC 22a_100016993582_100000211604 [0,1,0,0,0,1|1,0,0]=3 4447 B14R1.965 CNNC(=O)Nc1ccccc1SC 512a_100000211160_100016993582 [0,1,0,0,0,1|1,1,0]=4 4448 B14R1.965 COCC(=O)Cc1ccccc1C#N 1458a_100000210968_100000181865 [0,1,0,0,0,1|2,0,0]=4 4449 B14R1.965 COCC(=O)Cc1ccccc1C=O 1458a_100000210968_200009853537 [0,1,0,0,0,1|2,0,0]=4 4450 B14R1.965 COCC(=O)Cc1ccccc1CO 1458a_100000210968_100009816955 [0,1,0,0,0,1|2,0,0]=4 4451 B14R1.965 COCC(=O)Cc1ccccc1OC 1458a_100000210968_100000210004 [0,1,0,0,0,1|0,0,0]=2 4452 B14R1.965 COCC(=O)Cc1ccccc1SC 1458a_100000210968_100000699184 [0,1,0,0,0,1|0,1,0]=3 4453 B14R1.965 COCC(=O)Cc1cccnc1OC 1458a_100000210968_100020631285 [0,1,0,0,0,1|1,0,0]=3 4454 B14R1.965 COCC(=O)Cc1ccncc1OC 1458a_100000210968_100020635607 [0,1,0,0,0,1|1,0,0]=3 4455 B14R1.965 COCC(=O)Nc1ccccc1C#N 11a_100000211148_100000210968 [0,1,0,0,0,1|2,0,0]=4 4456 B14R1.965 COCC(=O)Nc1ccccc1C#N 1626a_100000211148_100000210968 [0,1,0,0,0,1|2,0,0]=4 4457 B14R1.965 COCC(=O)Nc1ccccc1CO 22a_100000212039_100000210968 [0,1,0,0,0,1|2,0,0]=4 4458 B14R1.965 COCC(=O)Nc1ccccc1OC 11a_100000210025_100000210968 [0,1,0,0,0,1|0,0,0]=2 4459 B14R1.965 COCC(=O)Nc1ccccc1OC 1626a_100000210025_100000210968 [0,1,0,0,0,1|0,0,0]=2 4460 B14R1.965 COCC(=O)Nc1ccccc1OC 22a_100000210025_100000210968 [0,1,0,0,0,1|0,0,0]=2 4461 B14R1.965 COCC(=O)Nc1ccccc1OC 34a_100138415774_100000182883 [0,1,0,0,0,1|0,0,0]=2 4462 B14R1.965 COCC(=O)Nc1ccccc1OC 527a_100000210025_100000210968 [0,1,0,0,0,1|0,0,0]=2 4463 B14R1.965 COCC(=O)Nc1ccccc1SC 11a_100000211160_100000210968 [0,1,0,0,0,1|0,1,0]=3 4464 B14R1.965 COCC(=O)Nc1ccccc1SC 22a_100000211160_100000210968 [0,1,0,0,0,1|0,1,0]=3 4465 B14R1.965 COCC(=O)Nc1ccccc1SC 34a_100138415774_200000182989 [0,1,0,0,0,1|0,1,0]=3 4466 B14R1.965 COCC(=O)Nc1ccccc1SC 62a_200000158336_200000210301 [0,1,0,0,0,1|0,1,0]=3 4467 B14R1.965 COCC(=O)Nc1ccccc1SC 62a_200000210301_200000158336 [0,1,0,0,0,1|0,1,0]=3 4468 B14R1.965 COCC(=O)Nc1ccccc1S[13CH3] 62a_200000158336_200025704644 [0,1,0,0,0,1|0,1,0]=3 4469 B14R1.965 COCC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_200000158336 [0,1,0,0,0,1|0,1,0]=3 4470 B14R1.965 COCC(C)Nc1ccccc1OC 34a_100000210025_100000765312 [0,1,0,0,0,1|1,0,1]=4 4471 B14R1.965 COCC(C)Oc1ccccc1OC 34a_100000210385_100000765312 [0,1,0,0,0,1|1,0,1]=4 4472 B14R1.965 COCC(C)Sc1ccccc1OC 62a_100000210334_100000765312 [0,1,0,0,0,1|1,0,1]=4 4473 B14R1.965 COCC(C)Sc1ccccc1OC 62a_100000765312_100000210334 [0,1,0,0,0,1|1,0,1]=4 4474 B14R1.965 COCN(C)Cc1ccccc1OC 2230a_100000184376_100000766300 [0,1,0,0,0,1|2,0,0]=4 4475 B14R1.965 COCN(C)Cc1ccccc1OC 269982a_100000184376_100000766300 [0,1,0,0,0,1|2,0,0]=4 4476 B14R1.965 COc1ccccc1CC(=O)C=CBr 1458a_100016273825_100000210004 [0,1,0,0,0,1|1,0,1]=4 4477 B14R1.965 COc1ccccc1CC(=O)C=CCl 1458a_200016279998_100000210004 [0,1,0,0,0,1|1,0,1]=4 4478 B14R1.965 COc1ccccc1CC(=O)C=CI 1458a_100016256311_100000210004 [0,1,0,0,0,1|1,0,1]=4 4479 B14R1.965 COc1ccccc1CC(=O)CC#N 1458a_100000211604_100011214920 [0,1,0,0,0,1|1,0,1]=4 4480 B14R1.965 COc1ccccc1CC(=O)CC#N 1458a_100051588842_100000210004 [0,1,0,0,0,1|1,0,1]=4 4481 B14R1.965 COc1ccccc1CC(=O)CCF 1458a_100000211604_100011217306 [0,1,0,0,0,1|1,0,0]=3 4482 B14R1.965 COc1ccccc1CC(=O)CCO 1458a_100000211604_100000211926 [0,1,0,0,0,1|1,0,0]=3 4483 B14R1.965 COc1ccccc1CC(=O)CCO 1458a_100011216618_100000210004 [0,1,0,0,0,1|1,0,0]=3 4484 B14R1.965 COc1ccccc1CC(=O)CSC 1458a_100000184570_100000210004 [0,1,0,0,0,1|0,1,0]=3 4485 B14R1.965 COc1ccccc1CC(C)OCF 7a_100000691916_100015361967 [0,1,0,0,0,1|1,0,1]=4 4486 B14R1.965 COc1ccccc1NC(=O)C=CBr 1626a_100000210025_100016273825 [0,1,0,0,0,1|1,0,1]=4 4487 B14R1.965 COc1ccccc1NC(=O)C=CCl 11a_100000210025_200016279998 [0,1,0,0,0,1|1,0,1]=4 4488 B14R1.965 COc1ccccc1NC(=O)C=CCl 1626a_100000210025_200016279998 [0,1,0,0,0,1|1,0,1]=4 4489 B14R1.965 COc1ccccc1NC(=O)C=CI 1626a_100000210025_100016256311 [0,1,0,0,0,1|1,0,1]=4 4490 B14R1.965 COc1ccccc1NC(=O)CC#N 1626a_100000210025_100051588842 [0,1,0,0,0,1|1,0,1]=4 4491 B14R1.965 COc1ccccc1NC(=O)CC#N 22a_100000210025_100051588842 [0,1,0,0,0,1|1,0,1]=4 4492 B14R1.965 COc1ccccc1NC(=O)CCO 22a_100000210025_100011216618 [0,1,0,0,0,1|1,0,0]=3 4493 B14R1.965 COc1ccccc1NC(=O)CSC 11a_100000210025_100000184570 [0,1,0,0,0,1|0,1,0]=3 4494 B14R1.965 COc1ccccc1NC(=O)CSC 1626a_100000210025_100000184570 [0,1,0,0,0,1|0,1,0]=3 4495 B14R1.965 COc1ccccc1NC(=O)CSC 22a_100000210025_100000184570 [0,1,0,0,0,1|0,1,0]=3 4496 B14R1.965 COc1ccccc1NC(=O)CSC 527a_100000210025_100000184570 [0,1,0,0,0,1|0,1,0]=3 4497 B14R1.965 COc1ccccc1NC(=O)CSC 62a_200000210301_100000182883 [0,1,0,0,0,1|0,1,0]=3 4498 B14R1.965 COc1ccccc1NC(=O)CSC 62a_200000243729_200000210301 [0,1,0,0,0,1|0,1,0]=3 4499 B14R1.965 COc1ccccc1NC(=O)CS[13CH3] 62a_200000243729_200025704644 [0,1,0,0,0,1|0,1,0]=3 4500 B14R1.965 COc1ccccc1NC(=O)CS[13CH3] 62a_200025704644_100000182883 [0,1,0,0,0,1|0,1,0]=3 4501 B14R1.965 COc1cnccc1CC(=O)CCO 1458a_100011216618_100020635607 [0,1,0,0,0,1|2,0,0]=4 4502 B14R1.965 COc1cnccc1CC(=O)CSC 1458a_100000184570_100020635607 [0,1,0,0,0,1|1,1,0]=4 4503 B14R1.965 COc1ncccc1CC(=O)CCO 1458a_100011216618_100020631285 [0,1,0,0,0,1|2,0,0]=4 4504 B14R1.965 COc1ncccc1CC(=O)CSC 1458a_100000184570_100020631285 [0,1,0,0,0,1|1,1,0]=4 4505 B14R1.965 CSCC(=O)Cc1ccccc1SC 1458a_100000184570_100000699184 [0,1,0,0,0,1|0,2,0]=4 4506 B14R1.965 CSCC(=O)Nc1ccccc1SC 11a_100000211160_100000184570 [0,1,0,0,0,1|0,2,0]=4 4507 B14R1.965 CSCC(=O)Nc1ccccc1SC 22a_100000211160_100000184570 [0,1,0,0,0,1|0,2,0]=4 4508 B14R1.965 CSCC(=O)Nc1ccccc1SC 62a_200000210301_200000182989 [0,1,0,0,0,1|0,2,0]=4 4509 B14R1.965 CSc1ccccc1CC(=O)CCO 1458a_100011216618_100000699184 [0,1,0,0,0,1|1,1,0]=4 4510 B14R1.965 CSc1ccccc1NC(=O)CCO 22a_100000211160_100011216618 [0,1,0,0,0,1|1,1,0]=4 4511 B14R1.965 CSc1ccccc1NC(=O)CS[13CH3] 62a_200025704644_200000182989 [0,1,0,0,0,1|0,2,0]=4 4512 B14R1.2000 CCS(=O)(=O)Nc1ccccc1OC 232682a_100000210025_100000211323 [0,1,0,0,0,1|2,0,0]=4 4513 B14R1.2000 CCS(=O)(=O)Nc1ccccc1OC 40a_100000210025_100000053943 [0,1,0,0,0,1|2,0,0]=4 4514 B14R1.2178 C#CC(=O)Cc1c(cccc1OC)Cl 1458a_100000211873_100012349678 [0,1,0,0,0,1|1,0,1]=4 4515 B14R1.2178 C#CC(=O)Cc1c(cccc1OC)F 1458a_100000211873_100011216731 [0,1,0,0,0,1|1,0,1]=4 4516 B14R1.2178 C=CC(=O)Cc1c(cccc1OC)Cl 1458a_100000185746_100012349678 [0,1,0,0,0,1|1,0,1]=4 4517 B14R1.2178 C=CC(=O)Cc1c(cccc1OC)F 1458a_100000185746_100011216731 [0,1,0,0,0,1|1,0,1]=4 4518 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)Br 1626a_100000708083_100000185746 [0,1,0,0,0,1|1,0,1]=4 4519 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)Br 22a_100000708083_100000185746 [0,1,0,0,0,1|1,0,1]=4 4520 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)C 1626a_100000758225_100000185746 [0,1,0,0,0,1|1,0,1]=4 4521 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)C 22a_100000758225_100000185746 [0,1,0,0,0,1|1,0,1]=4 4522 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)Cl 1626a_100011309317_100000185746 [0,1,0,0,0,1|1,0,1]=4 4523 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)Cl 22a_100011309317_100000185746 [0,1,0,0,0,1|1,0,1]=4 4524 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)F 1626a_100000686744_100000185746 [0,1,0,0,0,1|1,0,1]=4 4525 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)F 22a_100000686744_100000185746 [0,1,0,0,0,1|1,0,1]=4 4526 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)I 1626a_100010253897_100000185746 [0,1,0,0,0,1|1,0,1]=4 4527 B14R1.2178 C=CC(=O)Nc1c(cccc1OC)O 22a_100012022766_100000185746 [0,1,0,0,0,1|1,0,1]=4 4528 B14R1.2178 C=Cc1cccc(c1CC(=O)OC)F 271570a_100011290941_100010741561 [0,1,0,0,0,1|1,0,1]=4 4529 B14R1.2178 CCC(=O)Cc1c(cccc1OC)Cl 1458a_100000210414_100012349678 [0,1,0,0,0,1|1,0,0]=3 4530 B14R1.2178 CCC(=O)Cc1c(cccc1OC)F 1458a_100000210414_100011216731 [0,1,0,0,0,1|1,0,0]=3 4531 B14R1.2178 CCC(=O)Cc1c(cccc1OC)F 1458a_100011216732_100000210202 [0,1,0,0,0,1|1,0,0]=3 4532 B14R1.2178 CCC(=O)Nc1c(cccc1CC)C 11a_100000210048_100000210414 [0,1,0,0,0,1|2,0,0]=4 4533 B14R1.2178 CCC(=O)Nc1c(cccc1CC)C 1626a_100000210048_100000210414 [0,1,0,0,0,1|2,0,0]=4 4534 B14R1.2178 CCC(=O)Nc1c(cccc1CC)C 22a_100000210048_100000210414 [0,1,0,0,0,1|2,0,0]=4 4535 B14R1.2178 CCC(=O)Nc1c(cccc1OC)Br 11a_100000708083_100000210414 [0,1,0,0,0,1|1,0,0]=3 4536 B14R1.2178 CCC(=O)Nc1c(cccc1OC)Br 1626a_100000708083_100000210414 [0,1,0,0,0,1|1,0,0]=3 4537 B14R1.2178 CCC(=O)Nc1c(cccc1OC)Br 22a_100000708083_100000210414 [0,1,0,0,0,1|1,0,0]=3 4538 B14R1.2178 CCC(=O)Nc1c(cccc1OC)C 11a_100000758225_100000210414 [0,1,0,0,0,1|1,0,0]=3 4539 B14R1.2178 CCC(=O)Nc1c(cccc1OC)C 1626a_100000758225_100000210414 [0,1,0,0,0,1|1,0,0]=3 4540 B14R1.2178 CCC(=O)Nc1c(cccc1OC)C 22a_100000758225_100000210414 [0,1,0,0,0,1|1,0,0]=3 4541 B14R1.2178 CCC(=O)Nc1c(cccc1OC)Cl 11a_100011309317_100000210414 [0,1,0,0,0,1|1,0,0]=3 4542 B14R1.2178 CCC(=O)Nc1c(cccc1OC)Cl 1626a_100011309317_100000210414 [0,1,0,0,0,1|1,0,0]=3 4543 B14R1.2178 CCC(=O)Nc1c(cccc1OC)Cl 22a_100011309317_100000210414 [0,1,0,0,0,1|1,0,0]=3 4544 B14R1.2178 CCC(=O)Nc1c(cccc1OC)F 11a_100000686744_100000210414 [0,1,0,0,0,1|1,0,0]=3 4545 B14R1.2178 CCC(=O)Nc1c(cccc1OC)F 1626a_100000686744_100000210414 [0,1,0,0,0,1|1,0,0]=3 4546 B14R1.2178 CCC(=O)Nc1c(cccc1OC)F 22a_100000686744_100000210414 [0,1,0,0,0,1|1,0,0]=3 4547 B14R1.2178 CCC(=O)Nc1c(cccc1OC)I 11a_100010253897_100000210414 [0,1,0,0,0,1|1,0,0]=3 4548 B14R1.2178 CCC(=O)Nc1c(cccc1OC)I 1626a_100010253897_100000210414 [0,1,0,0,0,1|1,0,0]=3 4549 B14R1.2178 CCC(=O)Nc1c(cccc1OC)O 22a_100012022766_100000210414 [0,1,0,0,0,1|1,0,0]=3 4550 B14R1.2178 CCC(=O)Nc1c(cccc1OC)O 527a_100012022766_100000210414 [0,1,0,0,0,1|1,0,0]=3 4551 B14R1.2178 CCc1cccc(c1NC(=O)NC)C 2430a_100000210048_100102657272 [0,1,0,0,0,1|2,0,0]=4 4552 B14R1.2178 CNC(=O)Cc1c(cccc1OC)F 11a_106832991635_100011216732 [0,1,0,0,0,1|1,0,0]=3 4553 B14R1.2178 CNC(=O)Cc1c(cccc1OC)F 1626a_100102657272_100011216732 [0,1,0,0,0,1|1,0,0]=3 4554 B14R1.2178 CNC(=O)Cc1c(cccc1OC)F 240690a_100102657272_100011216732 [0,1,0,0,0,1|1,0,0]=3 4555 B14R1.2178 CNC(=O)Cc1c(cccc1OC)F 527a_100102657272_100011216732 [0,1,0,0,0,1|1,0,0]=3 4556 B14R1.2178 CNC(=O)Nc1c(cccc1OC)C 2430a_100000758225_100102657272 [0,1,0,0,0,1|1,0,0]=3 4557 B14R1.2178 CNC(=O)Nc1c(cccc1OC)Cl 2430a_100011309317_100102657272 [0,1,0,0,0,1|1,0,0]=3 4558 B14R1.2178 CNC(=O)Nc1c(cccc1OC)F 2430a_100000686744_100102657272 [0,1,0,0,0,1|1,0,0]=3 4559 B14R1.2178 CNC(=O)Nc1c(cccc1OC)I 512a_100010253897_100102657272 [0,1,0,0,0,1|1,0,0]=3 4560 B14R1.2178 CNC(=O)Nc1c(cccc1OC)O 2430a_100012022766_100102657272 [0,1,0,0,0,1|1,0,0]=3 4561 B14R1.2178 COC(=O)Cc1c(cccc1SC)F 62a_100010741561_200000210301 [0,1,0,0,0,1|0,1,0]=3 4562 B14R1.2178 COC(=O)Cc1c(cccc1S[13CH3])F 62a_100010741561_200025704644 [0,1,0,0,0,1|0,1,0]=3 4563 B14R1.2178 COc1cccc(c1CC(=O)CF)F 1458a_100011216732_100015361967 [0,1,0,0,0,1|2,0,0]=4 4564 B14R1.2178 COc1cccc(c1CC(=O)CO)Cl 1458a_100000210174_100012349678 [0,1,0,0,0,1|2,0,0]=4 4565 B14R1.2178 COc1cccc(c1CC(=O)CO)F 1458a_100000210174_100011216731 [0,1,0,0,0,1|2,0,0]=4 4566 B14R1.2178 COc1cccc(c1NC(=O)CO)Br 22a_100000708083_100000210174 [0,1,0,0,0,1|2,0,0]=4 4567 B14R1.2178 COc1cccc(c1NC(=O)CO)C 22a_100000758225_100000210174 [0,1,0,0,0,1|2,0,0]=4 4568 B14R1.2178 COc1cccc(c1NC(=O)CO)Cl 22a_100011309317_100000210174 [0,1,0,0,0,1|2,0,0]=4 4569 B14R1.2178 COc1cccc(c1NC(=O)CO)F 22a_100000686744_100000210174 [0,1,0,0,0,1|2,0,0]=4 4570 B14R1.2178 COc1cccc(c1NC(=O)CO)O 22a_100012022766_100000210174 [0,1,0,0,0,1|2,0,0]=4 4571 B14R1.2178 COc1cccc(c1NC(=O)CO)O 527a_100012022766_100000210174 [0,1,0,0,0,1|2,0,0]=4 4572 B14R1.2178 COc1cccc(c1SC(C)OC)Br 62a_100009879195_100010131421 [0,1,0,0,0,1|1,0,1]=4 4573 B14R1.2178 COc1cccc(c1SC(C)OC)Br 62a_100010131421_100009879195 [0,1,0,0,0,1|1,0,1]=4 4574 B14R1.2178 COc1cccc(c1SC(C)OC)C 62a_100009879195_100010191535 [0,1,0,0,0,1|1,0,1]=4 4575 B14R1.2178 COc1cccc(c1SC(C)OC)C 62a_100010191535_100009879195 [0,1,0,0,0,1|1,0,1]=4 4576 B14R1.2178 COc1cccc(c1SC(C)OC)F 62a_100000703912_100009879195 [0,1,0,0,0,1|1,0,1]=4 4577 B14R1.2178 COc1cccc(c1SC(C)OC)F 62a_100009879195_100000703912 [0,1,0,0,0,1|1,0,1]=4 4578 B14R1.2178 COc1cccc(c1SC(C)OC)N 62a_100000703447_100009879195 [0,1,0,0,0,1|1,0,1]=4 4579 B14R1.2178 COc1cccc(c1SC(C)OC)N 62a_100009879195_100000703447 [0,1,0,0,0,1|1,0,1]=4 4580 B14R1.2178 COc1cccc(c1SC(C)OC)O 62a_100009879195_100010202623 [0,1,0,0,0,1|1,0,1]=4 4581 B14R1.3135 C=C(Br)C(=O)Nc1ccccc1OC 11a_100000210025_100009813364 [0,1,0,0,0,1|1,0,1]=4 4582 B14R1.3135 C=C(Br)C(=O)Nc1ccccc1OC 1626a_100000210025_100009813364 [0,1,0,0,0,1|1,0,1]=4 4583 B14R1.3135 C=C(C)C(=O)Cc1ccccc1OC 1458a_100000185857_100000210004 [0,1,0,0,0,1|1,0,0]=3 4584 B14R1.3135 C=C(C)C(=O)Cc1ccccc1SC 1458a_100000185857_100000699184 [0,1,0,0,0,1|1,1,0]=4 4585 B14R1.3135 C=C(C)C(=O)Cc1cccnc1OC 1458a_100000185857_100020631285 [0,1,0,0,0,1|2,0,0]=4 4586 B14R1.3135 C=C(C)C(=O)Cc1ccncc1OC 1458a_100000185857_100020635607 [0,1,0,0,0,1|2,0,0]=4 4587 B14R1.3135 C=C(C)C(=O)Nc1ccccc1CC 11a_100000212081_100000185857 [0,1,0,0,0,1|2,0,0]=4 4588 B14R1.3135 C=C(C)C(=O)Nc1ccccc1CC 1626a_100000212081_100000185857 [0,1,0,0,0,1|2,0,0]=4 4589 B14R1.3135 C=C(C)C(=O)Nc1ccccc1CC 22a_100000212081_100000185857 [0,1,0,0,0,1|2,0,0]=4 4590 B14R1.3135 C=C(C)C(=O)Nc1ccccc1OC 11a_100000210025_100000185857 [0,1,0,0,0,1|1,0,0]=3 4591 B14R1.3135 C=C(C)C(=O)Nc1ccccc1OC 1626a_100000210025_100000185857 [0,1,0,0,0,1|1,0,0]=3 4592 B14R1.3135 C=C(C)C(=O)Nc1ccccc1OC 22a_100000210025_100000185857 [0,1,0,0,0,1|1,0,0]=3 4593 B14R1.3135 C=C(C)C(=O)Nc1ccccc1SC 11a_100000211160_100000185857 [0,1,0,0,0,1|1,1,0]=4 4594 B14R1.3135 C=C(C)C(=O)Nc1ccccc1SC 22a_100000211160_100000185857 [0,1,0,0,0,1|1,1,0]=4 4595 B14R1.3135 C=C(Cl)C(=O)Nc1ccccc1OC 11a_100000210025_100000039160 [0,1,0,0,0,1|1,0,1]=4 4596 B14R1.3135 C=C(Cl)C(=O)Nc1ccccc1OC 1626a_100000210025_100000039160 [0,1,0,0,0,1|1,0,1]=4 4597 B14R1.3135 C=C(Cl)C(=O)Nc1ccccc1OC 22a_100000210025_100000039160 [0,1,0,0,0,1|1,0,1]=4 4598 B14R1.3135 C=C(F)C(=O)Nc1ccccc1OC 11a_100000210025_100000036797 [0,1,0,0,0,1|1,0,1]=4 4599 B14R1.3135 C=C(F)C(=O)Nc1ccccc1OC 1626a_100000210025_100000036797 [0,1,0,0,0,1|1,0,1]=4 4600 B14R1.3135 C=C(F)C(=O)Nc1ccccc1OC 22a_100000210025_100000036797 [0,1,0,0,0,1|1,0,1]=4 4601 B14R1.3135 CC(C)C(=O)Nc1ccccc1N[13CH3] 2230a_200011193546_200025704644 [0,1,0,0,0,1|2,0,0]=4 4602 B14R1.3135 CC(C)C(=O)Nc1ccccc1N[13CH3] 34a_200011193546_200025704644 [0,1,0,0,0,1|2,0,0]=4 4603 B14R1.3135 CCc1ccccc1NC(=O)C(=O)C 1458a_200011297324_200000210301 [0,1,0,0,0,1|2,0,0]=4 4604 B14R1.3135 CCc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297324_200025704644 [0,1,0,0,0,1|2,0,0]=4 4605 B14R1.3135 CCc1ccccc1NC(=O)C(C)C 11a_100000212081_100000210198 [0,1,0,0,0,1|2,0,0]=4 4606 B14R1.3135 CCc1ccccc1NC(=O)C(C)C 1626a_100000212081_100000210198 [0,1,0,0,0,1|2,0,0]=4 4607 B14R1.3135 CCc1ccccc1NC(=O)C(C)C 22a_100000212081_100000210198 [0,1,0,0,0,1|2,0,0]=4 4608 B14R1.3135 CCc1ccccc1NC(=O)C(C)C 527a_100000212081_100000210198 [0,1,0,0,0,1|2,0,0]=4 4609 B14R1.3135 CCc1ccccc1NC(=O)C(C)F 11a_100000212081_100000062450 [0,1,0,0,0,1|2,0,0]=4 4610 B14R1.3135 CCc1ccccc1NC(=O)C(C)F 1626a_100000212081_100000062450 [0,1,0,0,0,1|2,0,0]=4 4611 B14R1.3135 CCc1ccccc1NC(=O)C(C)F 22a_100000212081_100000062450 [0,1,0,0,0,1|2,0,0]=4 4612 B14R1.3135 CCc1ccccc1NC(=O)C(C)F 527a_100000212081_100000062450 [0,1,0,0,0,1|2,0,0]=4 4613 B14R1.3135 CCc1ccccc1NC(=O)N(C)C 2430a_100000212081_100102631434 [0,1,0,0,0,1|2,0,0]=4 4614 B14R1.3135 CCc1ccccc1NC(=O)[C@@H](C)O 22a_100000212081_100000717761 [0,1,0,0,0,1|2,0,0]=4 4615 B14R1.3135 CCc1ccccc1NC(=O)[C@H](C)O 1626a_100000212081_217856618621 [0,1,0,0,0,1|2,0,0]=4 4616 B14R1.3135 CCc1ccccc1NC(=O)[C@H](C)O 22a_100000212081_217856618621 [0,1,0,0,0,1|2,0,0]=4 4617 B14R1.3135 CN(C)C(=O)Cc1ccccc1N[13CH3] 2230a_100000743740_200025704644 [0,1,0,0,0,1|2,0,0]=4 4618 B14R1.3135 CN(C)C(=O)Cc1ccccc1N[13CH3] 34a_100000743740_200025704644 [0,1,0,0,0,1|2,0,0]=4 4619 B14R1.3135 CN(C)C(=O)Cc1ccccc1S[13CH3] 62a_200009816159_200025704644 [0,1,0,0,0,1|1,1,0]=4 4620 B14R1.3135 CN(C)C(=O)Cc1ccccc1S[13CH3] 62a_200025704644_200009816159 [0,1,0,0,0,1|1,1,0]=4 4621 B14R1.3135 CN(C)C(=O)Sc1ccccc1N[13CH3] 2230a_100000750950_200025704644 [0,1,0,0,0,1|2,0,0]=4 4622 B14R1.3135 CNc1ccccc1CC(=O)N(C)C 2230a_100000743740_200000210301 [0,1,0,0,0,1|2,0,0]=4 4623 B14R1.3135 CNc1ccccc1CC(=O)N(C)C 34a_100000743740_200000210301 [0,1,0,0,0,1|2,0,0]=4 4624 B14R1.3135 CNc1ccccc1NC(=O)C(C)C 2230a_200011193546_200000210301 [0,1,0,0,0,1|2,0,0]=4 4625 B14R1.3135 CNc1ccccc1NC(=O)C(C)C 34a_200011193546_200000210301 [0,1,0,0,0,1|2,0,0]=4 4626 B14R1.3135 CNc1ccccc1SC(=O)N(C)C 2230a_100000750950_200000210301 [0,1,0,0,0,1|2,0,0]=4 4627 B14R1.3135 COc1ccccc1CC(=O)C(C)C 1458a_100000210198_100000210004 [0,1,0,0,0,1|1,0,0]=3 4628 B14R1.3135 COc1ccccc1CC(=O)C(C)C 1458a_100000211604_100000210206 [0,1,0,0,0,1|1,0,0]=3 4629 B14R1.3135 COc1ccccc1CC(=O)C(C)F 1458a_100000062450_100000210004 [0,1,0,0,0,1|1,0,0]=3 4630 B14R1.3135 COc1ccccc1CC(=O)C(O)O 1458a_100000233687_100000210004 [0,1,0,0,0,1|2,0,0]=4 4631 B14R1.3135 COc1ccccc1CC(=O)N(C)C 11a_100102631434_100000211604 [0,1,0,0,0,1|1,0,0]=3 4632 B14R1.3135 COc1ccccc1CC(=O)N(C)C 1626a_100102631434_100000211604 [0,1,0,0,0,1|1,0,0]=3 4633 B14R1.3135 COc1ccccc1CC(=O)N(C)C 240690a_100102631434_100000211604 [0,1,0,0,0,1|1,0,0]=3 4634 B14R1.3135 COc1ccccc1CC(=O)N(C)C 527a_100102631434_100000211604 [0,1,0,0,0,1|1,0,0]=3 4635 B14R1.3135 COc1ccccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000210004 [0,1,0,0,0,1|1,0,0]=3 4636 B14R1.3135 COc1ccccc1CC(=O)[C@H](C)O 1458a_217856618621_100000210004 [0,1,0,0,0,1|1,0,0]=3 4637 B14R1.3135 COc1ccccc1NC(=O)C(=O)C 1458a_200011297187_200000210301 [0,1,0,0,0,1|1,0,0]=3 4638 B14R1.3135 COc1ccccc1NC(=O)C(=O)N 22a_100000210025_100011215815 [0,1,0,0,0,1|2,0,0]=4 4639 B14R1.3135 COc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297187_200025704644 [0,1,0,0,0,1|1,0,0]=3 4640 B14R1.3135 COc1ccccc1NC(=O)C(C)C 11a_100000210025_100000210198 [0,1,0,0,0,1|1,0,0]=3 4641 B14R1.3135 COc1ccccc1NC(=O)C(C)C 1626a_100000210025_100000210198 [0,1,0,0,0,1|1,0,0]=3 4642 B14R1.3135 COc1ccccc1NC(=O)C(C)C 22a_100000210025_100000210198 [0,1,0,0,0,1|1,0,0]=3 4643 B14R1.3135 COc1ccccc1NC(=O)C(C)C 527a_100000210025_100000210198 [0,1,0,0,0,1|1,0,0]=3 4644 B14R1.3135 COc1ccccc1NC(=O)C(C)F 11a_100000210025_100000062450 [0,1,0,0,0,1|1,0,0]=3 4645 B14R1.3135 COc1ccccc1NC(=O)C(C)F 1626a_100000210025_100000062450 [0,1,0,0,0,1|1,0,0]=3 4646 B14R1.3135 COc1ccccc1NC(=O)C(C)F 22a_100000210025_100000062450 [0,1,0,0,0,1|1,0,0]=3 4647 B14R1.3135 COc1ccccc1NC(=O)C(C)F 527a_100000210025_100000062450 [0,1,0,0,0,1|1,0,0]=3 4648 B14R1.3135 COc1ccccc1NC(=O)C(F)F 11a_100000210025_100000210393 [0,1,0,0,0,1|2,0,0]=4 4649 B14R1.3135 COc1ccccc1NC(=O)C(F)F 1626a_100000210025_100000210393 [0,1,0,0,0,1|2,0,0]=4 4650 B14R1.3135 COc1ccccc1NC(=O)C(F)F 22a_100000210025_100000210393 [0,1,0,0,0,1|2,0,0]=4 4651 B14R1.3135 COc1ccccc1NC(=O)C(F)F 527a_100000210025_100000210393 [0,1,0,0,0,1|2,0,0]=4 4652 B14R1.3135 COc1ccccc1NC(=O)C(O)O 22a_100000210025_100000233687 [0,1,0,0,0,1|2,0,0]=4 4653 B14R1.3135 COc1ccccc1NC(=O)N(C)C 2430a_100000210025_100102631434 [0,1,0,0,0,1|1,0,0]=3 4654 B14R1.3135 COc1ccccc1NC(=O)[C@@H](C)O 22a_100000210025_100000717761 [0,1,0,0,0,1|1,0,0]=3 4655 B14R1.3135 COc1ccccc1NC(=O)[C@H](C)O 1626a_100000210025_217856618621 [0,1,0,0,0,1|1,0,0]=3 4656 B14R1.3135 COc1ccccc1NC(=O)[C@H](C)O 22a_100000210025_217856618621 [0,1,0,0,0,1|1,0,0]=3 4657 B14R1.3135 COc1cnccc1CC(=O)C(C)C 1458a_100000210198_100020635607 [0,1,0,0,0,1|2,0,0]=4 4658 B14R1.3135 COc1cnccc1CC(=O)C(C)F 1458a_100000062450_100020635607 [0,1,0,0,0,1|2,0,0]=4 4659 B14R1.3135 COc1cnccc1CC(=O)[C@@H](C)O 1458a_100000717761_100020635607 [0,1,0,0,0,1|2,0,0]=4 4660 B14R1.3135 COc1cnccc1CC(=O)[C@H](C)O 1458a_217856618621_100020635607 [0,1,0,0,0,1|2,0,0]=4 4661 B14R1.3135 COc1ncccc1CC(=O)C(C)C 1458a_100000210198_100020631285 [0,1,0,0,0,1|2,0,0]=4 4662 B14R1.3135 COc1ncccc1CC(=O)C(C)F 1458a_100000062450_100020631285 [0,1,0,0,0,1|2,0,0]=4 4663 B14R1.3135 COc1ncccc1CC(=O)[C@@H](C)O 1458a_100000717761_100020631285 [0,1,0,0,0,1|2,0,0]=4 4664 B14R1.3135 COc1ncccc1CC(=O)[C@H](C)O 1458a_217856618621_100020631285 [0,1,0,0,0,1|2,0,0]=4 4665 B14R1.3135 CSc1ccccc1CC(=O)C(C)C 1458a_100000210198_100000699184 [0,1,0,0,0,1|1,1,0]=4 4666 B14R1.3135 CSc1ccccc1CC(=O)C(C)F 1458a_100000062450_100000699184 [0,1,0,0,0,1|1,1,0]=4 4667 B14R1.3135 CSc1ccccc1CC(=O)N(C)C 62a_200000210301_200009816159 [0,1,0,0,0,1|1,1,0]=4 4668 B14R1.3135 CSc1ccccc1CC(=O)N(C)C 62a_200009816159_200000210301 [0,1,0,0,0,1|1,1,0]=4 4669 B14R1.3135 CSc1ccccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000699184 [0,1,0,0,0,1|1,1,0]=4 4670 B14R1.3135 CSc1ccccc1CC(=O)[C@H](C)O 1458a_217856618621_100000699184 [0,1,0,0,0,1|1,1,0]=4 4671 B14R1.3135 CSc1ccccc1NC(=O)C(C)C 11a_100000211160_100000210198 [0,1,0,0,0,1|1,1,0]=4 4672 B14R1.3135 CSc1ccccc1NC(=O)C(C)C 22a_100000211160_100000210198 [0,1,0,0,0,1|1,1,0]=4 4673 B14R1.3135 CSc1ccccc1NC(=O)C(C)F 11a_100000211160_100000062450 [0,1,0,0,0,1|1,1,0]=4 4674 B14R1.3135 CSc1ccccc1NC(=O)C(C)F 22a_100000211160_100000062450 [0,1,0,0,0,1|1,1,0]=4 4675 B14R1.3135 CSc1ccccc1NC(=O)N(C)C 2430a_100000211160_100102631434 [0,1,0,0,0,1|1,1,0]=4 4676 B14R1.3135 CSc1ccccc1NC(=O)[C@@H](C)O 22a_100000211160_100000717761 [0,1,0,0,0,1|1,1,0]=4 4677 B14R1.3135 CSc1ccccc1NC(=O)[C@H](C)O 22a_100000211160_217856618621 [0,1,0,0,0,1|1,1,0]=4 4678 B14R1.3279 C#CC(=O)Cc1cc(ccc1OC)Br 1458a_100000211873_100000204665 [0,1,0,0,0,1|1,0,1]=4 4679 B14R1.3279 C#CC(=O)Cc1cc(ccc1OC)C 1458a_100000211873_100000199068 [0,1,0,0,0,1|1,0,1]=4 4680 B14R1.3279 C#CC(=O)Cc1cc(ccc1OC)Cl 1458a_100000211873_100000209806 [0,1,0,0,0,1|1,0,1]=4 4681 B14R1.3279 C#CC(=O)Cc1cc(ccc1OC)F 1458a_100000211873_100011830354 [0,1,0,0,0,1|1,0,1]=4 4682 B14R1.3279 C=CC(=O)Cc1cc(ccc1OC)Br 1458a_100000185746_100000204665 [0,1,0,0,0,1|1,0,1]=4 4683 B14R1.3279 C=CC(=O)Cc1cc(ccc1OC)C 1458a_100000185746_100000199068 [0,1,0,0,0,1|1,0,1]=4 4684 B14R1.3279 C=CC(=O)Cc1cc(ccc1OC)Cl 1458a_100000185746_100000209806 [0,1,0,0,0,1|1,0,1]=4 4685 B14R1.3279 C=CC(=O)Cc1cc(ccc1OC)F 1458a_100000185746_100011830354 [0,1,0,0,0,1|1,0,1]=4 4686 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)Br 1626a_100000743470_100000185746 [0,1,0,0,0,1|1,0,1]=4 4687 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)Br 22a_100000743470_100000185746 [0,1,0,0,0,1|1,0,1]=4 4688 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)C 1626a_100000210980_100000185746 [0,1,0,0,0,1|1,0,1]=4 4689 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)C 22a_100000210980_100000185746 [0,1,0,0,0,1|1,0,1]=4 4690 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)Cl 1626a_100000182114_100000185746 [0,1,0,0,0,1|1,0,1]=4 4691 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)Cl 22a_100000182114_100000185746 [0,1,0,0,0,1|1,0,1]=4 4692 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)F 1626a_100000757179_100000185746 [0,1,0,0,0,1|1,0,1]=4 4693 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)F 22a_100000757179_100000185746 [0,1,0,0,0,1|1,0,1]=4 4694 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)I 1626a_100011249504_100000185746 [0,1,0,0,0,1|1,0,1]=4 4695 B14R1.3279 C=CC(=O)Nc1cc(ccc1OC)I 22a_100011249504_100000185746 [0,1,0,0,0,1|1,0,1]=4 4696 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)Br 1458a_100000210414_100000204665 [0,1,0,0,0,1|1,0,0]=3 4697 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)Br 1458a_100000763194_100000210202 [0,1,0,0,0,1|1,0,0]=3 4698 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)C 1458a_100000204598_100000210202 [0,1,0,0,0,1|1,0,0]=3 4699 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)C 1458a_100000210414_100000199068 [0,1,0,0,0,1|1,0,0]=3 4700 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)Cl 1458a_100000209874_100000210202 [0,1,0,0,0,1|1,0,0]=3 4701 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)Cl 1458a_100000210414_100000209806 [0,1,0,0,0,1|1,0,0]=3 4702 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)F 1458a_100000210414_100011830354 [0,1,0,0,0,1|1,0,0]=3 4703 B14R1.3279 CCC(=O)Cc1cc(ccc1OC)F 1458a_100000707523_100000210202 [0,1,0,0,0,1|1,0,0]=3 4704 B14R1.3279 CCC(=O)Cc1cc(cnc1OC)Br 1458a_100000210414_100010065838 [0,1,0,0,0,1|2,0,0]=4 4705 B14R1.3279 CCC(=O)Nc1cc(ccc1CC)Br 11a_100012354963_100000210414 [0,1,0,0,0,1|2,0,0]=4 4706 B14R1.3279 CCC(=O)Nc1cc(ccc1CC)Br 1626a_100012354963_100000210414 [0,1,0,0,0,1|2,0,0]=4 4707 B14R1.3279 CCC(=O)Nc1cc(ccc1CC)Br 22a_100012354963_100000210414 [0,1,0,0,0,1|2,0,0]=4 4708 B14R1.3279 CCC(=O)Nc1cc(ccc1CC)Br 527a_100012354963_100000210414 [0,1,0,0,0,1|2,0,0]=4 4709 B14R1.3279 CCC(=O)Nc1cc(ccc1CC)Cl 11a_200012281948_100000210414 [0,1,0,0,0,1|2,0,0]=4 4710 B14R1.3279 CCC(=O)Nc1cc(ccc1CC)Cl 1626a_200012281948_100000210414 [0,1,0,0,0,1|2,0,0]=4 4711 B14R1.3279 CCC(=O)Nc1cc(ccc1CC)Cl 22a_200012281948_100000210414 [0,1,0,0,0,1|2,0,0]=4 4712 B14R1.3279 CCC(=O)Nc1cc(ccc1CC)Cl 527a_200012281948_100000210414 [0,1,0,0,0,1|2,0,0]=4 4713 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)Br 11a_100000743470_100000210414 [0,1,0,0,0,1|1,0,0]=3 4714 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)Br 1626a_100000743470_100000210414 [0,1,0,0,0,1|1,0,0]=3 4715 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)Br 22a_100000743470_100000210414 [0,1,0,0,0,1|1,0,0]=3 4716 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)Br 527a_100000743470_100000210414 [0,1,0,0,0,1|1,0,0]=3 4717 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)C 11a_100000210980_100000210414 [0,1,0,0,0,1|1,0,0]=3 4718 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)C 1626a_100000210980_100000210414 [0,1,0,0,0,1|1,0,0]=3 4719 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)C 22a_100000210980_100000210414 [0,1,0,0,0,1|1,0,0]=3 4720 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)C 527a_100000210980_100000210414 [0,1,0,0,0,1|1,0,0]=3 4721 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)Cl 11a_100000182114_100000210414 [0,1,0,0,0,1|1,0,0]=3 4722 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)Cl 1626a_100000182114_100000210414 [0,1,0,0,0,1|1,0,0]=3 4723 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)Cl 22a_100000182114_100000210414 [0,1,0,0,0,1|1,0,0]=3 4724 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)F 11a_100000757179_100000210414 [0,1,0,0,0,1|1,0,0]=3 4725 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)F 1626a_100000757179_100000210414 [0,1,0,0,0,1|1,0,0]=3 4726 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)F 22a_100000757179_100000210414 [0,1,0,0,0,1|1,0,0]=3 4727 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)F 527a_100000757179_100000210414 [0,1,0,0,0,1|1,0,0]=3 4728 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)I 11a_100011249504_100000210414 [0,1,0,0,0,1|1,0,0]=3 4729 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)I 1626a_100011249504_100000210414 [0,1,0,0,0,1|1,0,0]=3 4730 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)I 22a_100011249504_100000210414 [0,1,0,0,0,1|1,0,0]=3 4731 B14R1.3279 CCC(=O)Nc1cc(ccc1SC)Cl 11a_100000745667_100000210414 [0,1,0,0,0,1|1,1,0]=4 4732 B14R1.3279 CCC(=O)Nc1cc(ccc1SC)Cl 1626a_100000745667_100000210414 [0,1,0,0,0,1|1,1,0]=4 4733 B14R1.3279 CCC(=O)Nc1cc(ccc1SC)Cl 22a_100000745667_100000210414 [0,1,0,0,0,1|1,1,0]=4 4734 B14R1.3279 CCc1ccc(cc1NC(=O)NC)Br 2430a_100012354963_100102657272 [0,1,0,0,0,1|2,0,0]=4 4735 B14R1.3279 CCc1ccc(cc1NC(=O)NC)Br 512a_100012354963_100102657272 [0,1,0,0,0,1|2,0,0]=4 4736 B14R1.3279 CCc1ccc(cc1NC(=O)NC)Cl 2430a_200012281948_100102657272 [0,1,0,0,0,1|2,0,0]=4 4737 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Br 11a_106832991635_100000763194 [0,1,0,0,0,1|1,0,0]=3 4738 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Br 1626a_100102657272_100000763194 [0,1,0,0,0,1|1,0,0]=3 4739 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Br 240690a_100102657272_100000763194 [0,1,0,0,0,1|1,0,0]=3 4740 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Br 527a_100102657272_100000763194 [0,1,0,0,0,1|1,0,0]=3 4741 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)C 11a_106832991635_100000204598 [0,1,0,0,0,1|1,0,0]=3 4742 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)C 1626a_100102657272_100000204598 [0,1,0,0,0,1|1,0,0]=3 4743 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)C 240690a_100102657272_100000204598 [0,1,0,0,0,1|1,0,0]=3 4744 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)C 527a_100102657272_100000204598 [0,1,0,0,0,1|1,0,0]=3 4745 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Cl 11a_106832991635_100000209874 [0,1,0,0,0,1|1,0,0]=3 4746 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Cl 1626a_100102657272_100000209874 [0,1,0,0,0,1|1,0,0]=3 4747 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Cl 240690a_100102657272_100000209874 [0,1,0,0,0,1|1,0,0]=3 4748 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)Cl 527a_100102657272_100000209874 [0,1,0,0,0,1|1,0,0]=3 4749 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)F 11a_106832991635_100000707523 [0,1,0,0,0,1|1,0,0]=3 4750 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)F 1626a_100102657272_100000707523 [0,1,0,0,0,1|1,0,0]=3 4751 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)F 240690a_100102657272_100000707523 [0,1,0,0,0,1|1,0,0]=3 4752 B14R1.3279 CNC(=O)Cc1cc(ccc1OC)F 527a_100102657272_100000707523 [0,1,0,0,0,1|1,0,0]=3 4753 B14R1.3279 CNC(=O)Nc1cc(ccc1OC)Br 2430a_100000743470_100102657272 [0,1,0,0,0,1|1,0,0]=3 4754 B14R1.3279 CNC(=O)Nc1cc(ccc1OC)C 2430a_100000210980_100102657272 [0,1,0,0,0,1|1,0,0]=3 4755 B14R1.3279 CNC(=O)Nc1cc(ccc1OC)Cl 2430a_100000182114_100102657272 [0,1,0,0,0,1|1,0,0]=3 4756 B14R1.3279 CNC(=O)Nc1cc(ccc1OC)F 2430a_100000757179_100102657272 [0,1,0,0,0,1|1,0,0]=3 4757 B14R1.3279 CNC(=O)Nc1cc(ccc1OC)I 2430a_100011249504_100102657272 [0,1,0,0,0,1|1,0,0]=3 4758 B14R1.3279 CNC(=O)Nc1cc(ccc1SC)Cl 2430a_100000745667_100102657272 [0,1,0,0,0,1|1,1,0]=4 4759 B14R1.3279 CNC(=O)Nc1cc(ccc1SC)Cl 512a_100000745667_100102657272 [0,1,0,0,0,1|1,1,0]=4 4760 B14R1.3279 COC(=O)Cc1cc(ccc1OC)Br 34a_100010185610_200000210301 [0,1,0,0,0,1|0,0,0]=2 4761 B14R1.3279 COC(=O)Cc1cc(ccc1OC)Br 7a_100010185610_200000210301 [0,1,0,0,0,1|0,0,0]=2 4762 B14R1.3279 COC(=O)Cc1cc(ccc1OC)Cl 34a_200010150947_200000210301 [0,1,0,0,0,1|0,0,0]=2 4763 B14R1.3279 COC(=O)Cc1cc(ccc1OC)Cl 7a_200010150947_200000210301 [0,1,0,0,0,1|0,0,0]=2 4764 B14R1.3279 COC(=O)Cc1cc(ccc1OC)O 271570a_203496583355_100012362489 [0,1,0,0,0,1|0,0,0]=2 4765 B14R1.3279 COC(=O)Cc1cc(ccc1O[13CH3])Br 34a_100010185610_200025704644 [0,1,0,0,0,1|0,0,0]=2 4766 B14R1.3279 COC(=O)Cc1cc(ccc1O[13CH3])Br 7a_100010185610_200025704644 [0,1,0,0,0,1|0,0,0]=2 4767 B14R1.3279 COC(=O)Cc1cc(ccc1O[13CH3])Cl 34a_200010150947_200025704644 [0,1,0,0,0,1|0,0,0]=2 4768 B14R1.3279 COC(=O)Cc1cc(ccc1O[13CH3])Cl 7a_200010150947_200025704644 [0,1,0,0,0,1|0,0,0]=2 4769 B14R1.3279 COc1ccc(cc1CC(=O)CF)Br 1458a_100000763194_100015361967 [0,1,0,0,0,1|2,0,0]=4 4770 B14R1.3279 COc1ccc(cc1CC(=O)CF)C 1458a_100000204598_100015361967 [0,1,0,0,0,1|2,0,0]=4 4771 B14R1.3279 COc1ccc(cc1CC(=O)CF)Cl 1458a_100000209874_100015361967 [0,1,0,0,0,1|2,0,0]=4 4772 B14R1.3279 COc1ccc(cc1CC(=O)CF)F 1458a_100000707523_100015361967 [0,1,0,0,0,1|2,0,0]=4 4773 B14R1.3279 COc1ccc(cc1CC(=O)CO)Br 1458a_100000210174_100000204665 [0,1,0,0,0,1|2,0,0]=4 4774 B14R1.3279 COc1ccc(cc1CC(=O)CO)C 1458a_100000210174_100000199068 [0,1,0,0,0,1|2,0,0]=4 4775 B14R1.3279 COc1ccc(cc1CC(=O)CO)Cl 1458a_100000210174_100000209806 [0,1,0,0,0,1|2,0,0]=4 4776 B14R1.3279 COc1ccc(cc1CC(=O)CO)F 1458a_100000210174_100011830354 [0,1,0,0,0,1|2,0,0]=4 4777 B14R1.3279 COc1ccc(cc1NC(=O)CCl)Cl 34a_200000014493_200000210301 [0,1,0,0,0,1|2,0,0]=4 4778 B14R1.3279 COc1ccc(cc1NC(=O)CCl)Cl 7a_200000014493_200000210301 [0,1,0,0,0,1|2,0,0]=4 4779 B14R1.3279 COc1ccc(cc1NC(=O)CO)Br 22a_100000743470_100000210174 [0,1,0,0,0,1|2,0,0]=4 4780 B14R1.3279 COc1ccc(cc1NC(=O)CO)Br 527a_100000743470_100000210174 [0,1,0,0,0,1|2,0,0]=4 4781 B14R1.3279 COc1ccc(cc1NC(=O)CO)C 22a_100000210980_100000210174 [0,1,0,0,0,1|2,0,0]=4 4782 B14R1.3279 COc1ccc(cc1NC(=O)CO)C 527a_100000210980_100000210174 [0,1,0,0,0,1|2,0,0]=4 4783 B14R1.3279 COc1ccc(cc1NC(=O)CO)Cl 22a_100000182114_100000210174 [0,1,0,0,0,1|2,0,0]=4 4784 B14R1.3279 COc1ccc(cc1NC(=O)CO)F 22a_100000757179_100000210174 [0,1,0,0,0,1|2,0,0]=4 4785 B14R1.3279 COc1ccc(cc1NC(=O)CO)F 527a_100000757179_100000210174 [0,1,0,0,0,1|2,0,0]=4 4786 B14R1.3279 COc1ccc(cc1NC(=O)CO)I 22a_100011249504_100000210174 [0,1,0,0,0,1|2,0,0]=4 4787 B14R1.3279 COc1ccc(cc1SC(C)OC)Br 62a_100009879195_100012351588 [0,1,0,0,0,1|1,0,1]=4 4788 B14R1.3279 COc1ccc(cc1SC(C)OC)Br 62a_100012351588_100009879195 [0,1,0,0,0,1|1,0,1]=4 4789 B14R1.3279 COc1ccc(cc1SC(C)OC)C 62a_100000186399_100009879195 [0,1,0,0,0,1|1,0,1]=4 4790 B14R1.3279 COc1ccc(cc1SC(C)OC)C 62a_100009879195_100000186399 [0,1,0,0,0,1|1,0,1]=4 4791 B14R1.3279 COc1ccc(cc1SC(C)OC)Cl 62a_100009879195_100011215930 [0,1,0,0,0,1|1,0,1]=4 4792 B14R1.3279 COc1ccc(cc1SC(C)OC)Cl 62a_100011215930_100009879195 [0,1,0,0,0,1|1,0,1]=4 4793 B14R1.3279 COc1ccc(cc1SC(C)OC)F 62a_100000171694_100009879195 [0,1,0,0,0,1|1,0,1]=4 4794 B14R1.3279 COc1ccc(cc1SC(C)OC)F 62a_100009879195_100000171694 [0,1,0,0,0,1|1,0,1]=4 4795 B14R1.3279 COc1ccc(cc1SC(C)OC)N 62a_100009879195_100011356947 [0,1,0,0,0,1|1,0,1]=4 4796 B14R1.3279 COc1ccc(cc1SC(C)OC)N 62a_100011356947_100009879195 [0,1,0,0,0,1|1,0,1]=4 4797 B14R1.3279 COc1ccc(cc1SC(C)OC)O 62a_100009879195_100010234764 [0,1,0,0,0,1|1,0,1]=4 4798 B14R1.3279 COc1ccc(cc1SC(C)OC)O 62a_100010234764_100009879195 [0,1,0,0,0,1|1,0,1]=4 4799 B14R1.3279 [13CH3]Oc1ccc(cc1NC(=O)CCl)Cl 34a_200000014493_200025704644 [0,1,0,0,0,1|2,0,0]=4 4800 B14R1.3279 [13CH3]Oc1ccc(cc1NC(=O)CCl)Cl 7a_200000014493_200025704644 [0,1,0,0,0,1|2,0,0]=4 4801 B14R1.3302 C=C(C)c1ccccc1CC(=O)NC 271570a_100000694244_200009816160 [0,1,0,0,0,1|2,0,0]=4 4802 B14R1.3302 C=C(C)c1ccccc1CC(=O)OC 271570a_100000694244_100000699816 [0,1,0,0,0,1|1,0,0]=3 4803 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 11a_100000037685_100000210414 [0,1,0,0,0,1|2,0,0]=4 4804 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 1626a_100000037685_100000210414 [0,1,0,0,0,1|2,0,0]=4 4805 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 22a_100000037685_100000210414 [0,1,0,0,0,1|2,0,0]=4 4806 B14R1.3302 C=C(C)c1ccccc1NC(=O)CC 271570a_100000694244_100000153536 [0,1,0,0,0,1|2,0,0]=4 4807 B14R1.3302 C=C(C)c1ccccc1NC(=O)NC 2430a_100000037685_100102657272 [0,1,0,0,0,1|2,0,0]=4 4808 B14R1.3302 C=C(C)c1ccccc1NC(=O)OC 271570a_100000694244_100000216184 [0,1,0,0,0,1|1,0,0]=3 4809 B14R1.3302 C=C(C)c1cccnc1CC(=O)OC 271570a_100000694244_100012347948 [0,1,0,0,0,1|2,0,0]=4 4810 B14R1.3302 C=C(C)c1ncccc1CC(=O)OC 271570a_100000694244_100010293180 [0,1,0,0,0,1|2,0,0]=4 4811 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)C 1458a_100000194446_200000210301 [0,1,0,0,0,1|2,0,0]=4 4812 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)[13CH3] 1458a_100000194446_200025704644 [0,1,0,0,0,1|2,0,0]=4 4813 B14R1.3302 CCC(=O)Nc1ccccc1C(C)C 11a_100000210643_100000210414 [0,1,0,0,0,1|2,0,0]=4 4814 B14R1.3302 CCC(=O)Nc1ccccc1C(C)C 1626a_100000210643_100000210414 [0,1,0,0,0,1|2,0,0]=4 4815 B14R1.3302 CCC(=O)Nc1ccccc1C(C)C 22a_100000210643_100000210414 [0,1,0,0,0,1|2,0,0]=4 4816 B14R1.3302 CCC(=O)Nc1ccccc1C(C)C 527a_100000210643_100000210414 [0,1,0,0,0,1|2,0,0]=4 4817 B14R1.3302 CCC(=O)Nc1ccccc1N(C)C 11a_100000737595_100000210414 [0,1,0,0,0,1|2,0,0]=4 4818 B14R1.3302 CCC(=O)Nc1ccccc1N(C)C 1626a_100000737595_100000210414 [0,1,0,0,0,1|2,0,0]=4 4819 B14R1.3302 CCC(=O)Nc1ccccc1N(C)C 22a_100000737595_100000210414 [0,1,0,0,0,1|2,0,0]=4 4820 B14R1.3302 CCC(=O)Nc1ccccc1N(C)C 527a_100000737595_100000210414 [0,1,0,0,0,1|2,0,0]=4 4821 B14R1.3302 CNC(=O)Nc1ccccc1C(C)C 2430a_100000210643_100102657272 [0,1,0,0,0,1|2,0,0]=4 4822 B14R1.3302 CNC(=O)Nc1ccccc1N(C)C 2430a_100000737595_100102657272 [0,1,0,0,0,1|2,0,0]=4 4823 B14R1.3302 COC(=O)Cc1ccccc1C(=O)C 1458a_100000726341_200000210301 [0,1,0,0,0,1|1,0,0]=3 4824 B14R1.3302 COC(=O)Cc1ccccc1C(=O)[13CH3] 1458a_100000726341_200025704644 [0,1,0,0,0,1|1,0,0]=3 4825 B14R1.3417 C#CC(=O)Cc1ccc(cc1OC)Br 1458a_100000211873_100012359436 [0,1,0,0,0,1|1,0,1]=4 4826 B14R1.3417 C#CC(=O)Cc1ccc(cc1OC)F 1458a_100000211873_200010171551 [0,1,0,0,0,1|1,0,1]=4 4827 B14R1.3417 C=CC(=O)Cc1ccc(cc1OC)Br 1458a_100000185746_100012359436 [0,1,0,0,0,1|1,0,1]=4 4828 B14R1.3417 C=CC(=O)Cc1ccc(cc1OC)F 1458a_100000185746_200010171551 [0,1,0,0,0,1|1,0,1]=4 4829 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)Br 1626a_100011279103_100000185746 [0,1,0,0,0,1|1,0,1]=4 4830 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)Br 22a_100011279103_100000185746 [0,1,0,0,0,1|1,0,1]=4 4831 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)C 1626a_100000746441_100000185746 [0,1,0,0,0,1|1,0,1]=4 4832 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)C 22a_100000746441_100000185746 [0,1,0,0,0,1|1,0,1]=4 4833 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)Cl 1626a_100000707585_100000185746 [0,1,0,0,0,1|1,0,1]=4 4834 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)Cl 22a_100000707585_100000185746 [0,1,0,0,0,1|1,0,1]=4 4835 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)F 1626a_100000737216_100000185746 [0,1,0,0,0,1|1,0,1]=4 4836 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)F 22a_100000737216_100000185746 [0,1,0,0,0,1|1,0,1]=4 4837 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)I 1626a_100015196925_100000185746 [0,1,0,0,0,1|1,0,1]=4 4838 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)I 22a_100015196925_100000185746 [0,1,0,0,0,1|1,0,1]=4 4839 B14R1.3417 C=CC(=O)Nc1ccc(cc1OC)O 22a_100015326901_100000185746 [0,1,0,0,0,1|1,0,1]=4 4840 B14R1.3417 C=Cc1cc(ccc1CC(=O)OC)F 271570a_100011290941_200012569216 [0,1,0,0,0,1|1,0,1]=4 4841 B14R1.3417 C=Cc1cc(ccc1NC(=O)OC)C 271570a_100011290941_100000750523 [0,1,0,0,0,1|1,0,1]=4 4842 B14R1.3417 CCC(=O)Cc1ccc(cc1OC)Br 1458a_100000210414_100012359436 [0,1,0,0,0,1|1,0,0]=3 4843 B14R1.3417 CCC(=O)Cc1ccc(cc1OC)Br 1458a_100010245118_100000210202 [0,1,0,0,0,1|1,0,0]=3 4844 B14R1.3417 CCC(=O)Cc1ccc(cc1OC)Cl 1458a_100010217541_100000210202 [0,1,0,0,0,1|1,0,0]=3 4845 B14R1.3417 CCC(=O)Cc1ccc(cc1OC)F 1458a_100000062011_100000210202 [0,1,0,0,0,1|1,0,0]=3 4846 B14R1.3417 CCC(=O)Cc1ccc(cc1OC)F 1458a_100000210414_200010171551 [0,1,0,0,0,1|1,0,0]=3 4847 B14R1.3417 CCC(=O)Cc1ccc(nc1OC)Br 1458a_100000210414_100016029037 [0,1,0,0,0,1|2,0,0]=4 4848 B14R1.3417 CCC(=O)Nc1ccc(cc1CC)Br 11a_100000686106_100000210414 [0,1,0,0,0,1|2,0,0]=4 4849 B14R1.3417 CCC(=O)Nc1ccc(cc1CC)Br 1626a_100000686106_100000210414 [0,1,0,0,0,1|2,0,0]=4 4850 B14R1.3417 CCC(=O)Nc1ccc(cc1CC)Br 22a_100000686106_100000210414 [0,1,0,0,0,1|2,0,0]=4 4851 B14R1.3417 CCC(=O)Nc1ccc(cc1CC)Br 527a_100000686106_100000210414 [0,1,0,0,0,1|2,0,0]=4 4852 B14R1.3417 CCC(=O)Nc1ccc(cc1CC)Cl 11a_100012017146_100000210414 [0,1,0,0,0,1|2,0,0]=4 4853 B14R1.3417 CCC(=O)Nc1ccc(cc1CC)Cl 1626a_100012017146_100000210414 [0,1,0,0,0,1|2,0,0]=4 4854 B14R1.3417 CCC(=O)Nc1ccc(cc1CC)Cl 22a_100012017146_100000210414 [0,1,0,0,0,1|2,0,0]=4 4855 B14R1.3417 CCC(=O)Nc1ccc(cc1CC)I 11a_100000014069_100000210414 [0,1,0,0,0,1|2,0,0]=4 4856 B14R1.3417 CCC(=O)Nc1ccc(cc1CC)I 1626a_100000014069_100000210414 [0,1,0,0,0,1|2,0,0]=4 4857 B14R1.3417 CCC(=O)Nc1ccc(cc1CC)I 22a_100000014069_100000210414 [0,1,0,0,0,1|2,0,0]=4 4858 B14R1.3417 CCC(=O)Nc1ccc(cc1CC)I 527a_100000014069_100000210414 [0,1,0,0,0,1|2,0,0]=4 4859 B14R1.3417 CCC(=O)Nc1ccc(cc1NC)C 2230a_200011203071_200000210301 [0,1,0,0,0,1|2,0,0]=4 4860 B14R1.3417 CCC(=O)Nc1ccc(cc1NC)C 34a_200011203071_200000210301 [0,1,0,0,0,1|2,0,0]=4 4861 B14R1.3417 CCC(=O)Nc1ccc(cc1NC)C 7a_200011203071_200000210301 [0,1,0,0,0,1|2,0,0]=4 4862 B14R1.3417 CCC(=O)Nc1ccc(cc1N[13CH3])C 2230a_200011203071_200025704644 [0,1,0,0,0,1|2,0,0]=4 4863 B14R1.3417 CCC(=O)Nc1ccc(cc1N[13CH3])C 34a_200011203071_200025704644 [0,1,0,0,0,1|2,0,0]=4 4864 B14R1.3417 CCC(=O)Nc1ccc(cc1N[13CH3])C 7a_200011203071_200025704644 [0,1,0,0,0,1|2,0,0]=4 4865 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)Br 11a_100011279103_100000210414 [0,1,0,0,0,1|1,0,0]=3 4866 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)Br 1626a_100011279103_100000210414 [0,1,0,0,0,1|1,0,0]=3 4867 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)Br 22a_100011279103_100000210414 [0,1,0,0,0,1|1,0,0]=3 4868 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)C 11a_100000746441_100000210414 [0,1,0,0,0,1|1,0,0]=3 4869 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)C 1626a_100000746441_100000210414 [0,1,0,0,0,1|1,0,0]=3 4870 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)C 22a_100000746441_100000210414 [0,1,0,0,0,1|1,0,0]=3 4871 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)C 527a_100000746441_100000210414 [0,1,0,0,0,1|1,0,0]=3 4872 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)Cl 11a_100000707585_100000210414 [0,1,0,0,0,1|1,0,0]=3 4873 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)Cl 1626a_100000707585_100000210414 [0,1,0,0,0,1|1,0,0]=3 4874 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)Cl 22a_100000707585_100000210414 [0,1,0,0,0,1|1,0,0]=3 4875 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)F 11a_100000737216_100000210414 [0,1,0,0,0,1|1,0,0]=3 4876 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)F 1626a_100000737216_100000210414 [0,1,0,0,0,1|1,0,0]=3 4877 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)F 22a_100000737216_100000210414 [0,1,0,0,0,1|1,0,0]=3 4878 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)F 527a_100000737216_100000210414 [0,1,0,0,0,1|1,0,0]=3 4879 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)I 11a_100015196925_100000210414 [0,1,0,0,0,1|1,0,0]=3 4880 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)I 1626a_100015196925_100000210414 [0,1,0,0,0,1|1,0,0]=3 4881 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)I 22a_100015196925_100000210414 [0,1,0,0,0,1|1,0,0]=3 4882 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)O 22a_100015326901_100000210414 [0,1,0,0,0,1|1,0,0]=3 4883 B14R1.3417 CCC(=O)Nc1ccc(cc1OC)O 527a_100015326901_100000210414 [0,1,0,0,0,1|1,0,0]=3 4884 B14R1.3417 CCC(=O)Nc1ccc(cc1SC)C 62a_200000210301_100000152038 [0,1,0,0,0,1|1,1,0]=4 4885 B14R1.3417 CCC(=O)Nc1ccc(cc1S[13CH3])C 62a_200025704644_100000152038 [0,1,0,0,0,1|1,1,0]=4 4886 B14R1.3417 CCc1cc(ccc1NC(=O)NC)Br 2430a_100000686106_100102657272 [0,1,0,0,0,1|2,0,0]=4 4887 B14R1.3417 CCc1cc(ccc1NC(=O)NC)Br 512a_100000686106_100102657272 [0,1,0,0,0,1|2,0,0]=4 4888 B14R1.3417 CCc1cc(ccc1NC(=O)NC)Cl 2430a_100012017146_100102657272 [0,1,0,0,0,1|2,0,0]=4 4889 B14R1.3417 CCc1cc(ccc1NC(=O)NC)I 2430a_100000014069_100102657272 [0,1,0,0,0,1|2,0,0]=4 4890 B14R1.3417 CCc1cc(ccc1NC(=O)NC)I 512a_100000014069_100102657272 [0,1,0,0,0,1|2,0,0]=4 4891 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Br 11a_106832991635_100010245118 [0,1,0,0,0,1|1,0,0]=3 4892 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Br 1626a_100102657272_100010245118 [0,1,0,0,0,1|1,0,0]=3 4893 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Br 240690a_100102657272_100010245118 [0,1,0,0,0,1|1,0,0]=3 4894 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Br 527a_100102657272_100010245118 [0,1,0,0,0,1|1,0,0]=3 4895 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Cl 11a_106832991635_100010217541 [0,1,0,0,0,1|1,0,0]=3 4896 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Cl 1626a_100102657272_100010217541 [0,1,0,0,0,1|1,0,0]=3 4897 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Cl 240690a_100102657272_100010217541 [0,1,0,0,0,1|1,0,0]=3 4898 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)Cl 527a_100102657272_100010217541 [0,1,0,0,0,1|1,0,0]=3 4899 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)F 11a_106832991635_100000062011 [0,1,0,0,0,1|1,0,0]=3 4900 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)F 1626a_100102657272_100000062011 [0,1,0,0,0,1|1,0,0]=3 4901 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)F 240690a_100102657272_100000062011 [0,1,0,0,0,1|1,0,0]=3 4902 B14R1.3417 CNC(=O)Cc1ccc(cc1OC)F 527a_100102657272_100000062011 [0,1,0,0,0,1|1,0,0]=3 4903 B14R1.3417 CNC(=O)Nc1ccc(cc1OC)Br 2430a_100011279103_100102657272 [0,1,0,0,0,1|1,0,0]=3 4904 B14R1.3417 CNC(=O)Nc1ccc(cc1OC)C 2430a_100000746441_100102657272 [0,1,0,0,0,1|1,0,0]=3 4905 B14R1.3417 CNC(=O)Nc1ccc(cc1OC)Cl 2430a_100000707585_100102657272 [0,1,0,0,0,1|1,0,0]=3 4906 B14R1.3417 CNC(=O)Nc1ccc(cc1OC)F 2430a_100000737216_100102657272 [0,1,0,0,0,1|1,0,0]=3 4907 B14R1.3417 CNC(=O)Nc1ccc(cc1OC)I 2430a_100015196925_100102657272 [0,1,0,0,0,1|1,0,0]=3 4908 B14R1.3417 CNC(=O)Nc1ccc(cc1OC)I 512a_100015196925_100102657272 [0,1,0,0,0,1|1,0,0]=3 4909 B14R1.3417 CNC(=O)Nc1ccc(cc1OC)O 2430a_100015326901_100102657272 [0,1,0,0,0,1|1,0,0]=3 4910 B14R1.3417 COC(=O)Cc1ccc(cc1OC)Br 34a_100010150832_200000210301 [0,1,0,0,0,1|0,0,0]=2 4911 B14R1.3417 COC(=O)Cc1ccc(cc1OC)Br 7a_100010150832_200000210301 [0,1,0,0,0,1|0,0,0]=2 4912 B14R1.3417 COC(=O)Cc1ccc(cc1O[13CH3])Br 34a_100010150832_200025704644 [0,1,0,0,0,1|0,0,0]=2 4913 B14R1.3417 COC(=O)Cc1ccc(cc1O[13CH3])Br 7a_100010150832_200025704644 [0,1,0,0,0,1|0,0,0]=2 4914 B14R1.3417 COC(=O)Cc1ccc(cc1SC)F 62a_200000210301_200012569216 [0,1,0,0,0,1|0,1,0]=3 4915 B14R1.3417 COC(=O)Cc1ccc(cc1SC)F 62a_200012569216_200000210301 [0,1,0,0,0,1|0,1,0]=3 4916 B14R1.3417 COC(=O)Cc1ccc(cc1S[13CH3])F 62a_200012569216_200025704644 [0,1,0,0,0,1|0,1,0]=3 4917 B14R1.3417 COC(=O)Cc1ccc(cc1S[13CH3])F 62a_200025704644_200012569216 [0,1,0,0,0,1|0,1,0]=3 4918 B14R1.3417 COC(=O)Nc1ccc(cc1SC)C 62a_200000210301_100000750523 [0,1,0,0,0,1|0,1,0]=3 4919 B14R1.3417 COC(=O)Nc1ccc(cc1S[13CH3])C 62a_200025704644_100000750523 [0,1,0,0,0,1|0,1,0]=3 4920 B14R1.3417 COc1cc(ccc1CC(=O)CF)Br 1458a_100010245118_100015361967 [0,1,0,0,0,1|2,0,0]=4 4921 B14R1.3417 COc1cc(ccc1CC(=O)CF)Cl 1458a_100010217541_100015361967 [0,1,0,0,0,1|2,0,0]=4 4922 B14R1.3417 COc1cc(ccc1CC(=O)CF)F 1458a_100000062011_100015361967 [0,1,0,0,0,1|2,0,0]=4 4923 B14R1.3417 COc1cc(ccc1CC(=O)CO)Br 1458a_100000210174_100012359436 [0,1,0,0,0,1|2,0,0]=4 4924 B14R1.3417 COc1cc(ccc1CC(=O)CO)F 1458a_100000210174_200010171551 [0,1,0,0,0,1|2,0,0]=4 4925 B14R1.3417 COc1cc(ccc1NC(=O)CO)Br 22a_100011279103_100000210174 [0,1,0,0,0,1|2,0,0]=4 4926 B14R1.3417 COc1cc(ccc1NC(=O)CO)C 22a_100000746441_100000210174 [0,1,0,0,0,1|2,0,0]=4 4927 B14R1.3417 COc1cc(ccc1NC(=O)CO)C 527a_100000746441_100000210174 [0,1,0,0,0,1|2,0,0]=4 4928 B14R1.3417 COc1cc(ccc1NC(=O)CO)Cl 22a_100000707585_100000210174 [0,1,0,0,0,1|2,0,0]=4 4929 B14R1.3417 COc1cc(ccc1NC(=O)CO)F 22a_100000737216_100000210174 [0,1,0,0,0,1|2,0,0]=4 4930 B14R1.3417 COc1cc(ccc1NC(=O)CO)F 527a_100000737216_100000210174 [0,1,0,0,0,1|2,0,0]=4 4931 B14R1.3417 COc1cc(ccc1NC(=O)CO)I 22a_100015196925_100000210174 [0,1,0,0,0,1|2,0,0]=4 4932 B14R1.3417 COc1cc(ccc1NC(=O)CO)O 22a_100015326901_100000210174 [0,1,0,0,0,1|2,0,0]=4 4933 B14R1.3417 COc1cc(ccc1NC(=O)CO)O 527a_100015326901_100000210174 [0,1,0,0,0,1|2,0,0]=4 4934 B14R1.3417 COc1cc(ccc1SC(C)OC)Br 62a_100009879195_100010245111 [0,1,0,0,0,1|1,0,1]=4 4935 B14R1.3417 COc1cc(ccc1SC(C)OC)Br 62a_100010245111_100009879195 [0,1,0,0,0,1|1,0,1]=4 4936 B14R1.3417 COc1cc(ccc1SC(C)OC)C 62a_100009879195_100010200004 [0,1,0,0,0,1|1,0,1]=4 4937 B14R1.3417 COc1cc(ccc1SC(C)OC)C 62a_100010200004_100009879195 [0,1,0,0,0,1|1,0,1]=4 4938 B14R1.3417 COc1cc(ccc1SC(C)OC)Cl 62a_100000050115_100009879195 [0,1,0,0,0,1|1,0,1]=4 4939 B14R1.3417 COc1cc(ccc1SC(C)OC)Cl 62a_100009879195_100000050115 [0,1,0,0,0,1|1,0,1]=4 4940 B14R1.3417 COc1cc(ccc1SC(C)OC)F 62a_100000757151_100009879195 [0,1,0,0,0,1|1,0,1]=4 4941 B14R1.3417 COc1cc(ccc1SC(C)OC)F 62a_100009879195_100000757151 [0,1,0,0,0,1|1,0,1]=4 4942 B14R1.3417 COc1cc(ccc1SC(C)OC)N 62a_100000765947_100009879195 [0,1,0,0,0,1|1,0,1]=4 4943 B14R1.3417 COc1cc(ccc1SC(C)OC)N 62a_100009879195_100000765947 [0,1,0,0,0,1|1,0,1]=4 4944 B14R1.3417 COc1cc(ccc1SC(C)OC)O 62a_100009879195_100011827694 [0,1,0,0,0,1|1,0,1]=4 4945 B14R1.3995 C#CC(=O)Cc1cccc(c1OC)Br 1458a_100000211873_100011470457 [0,1,0,0,0,1|1,0,1]=4 4946 B14R1.3995 C#CC(=O)Cc1cccc(c1OC)C 1458a_100000211873_100012349798 [0,1,0,0,0,1|1,0,1]=4 4947 B14R1.3995 C=CC(=O)Cc1cccc(c1OC)Br 1458a_100000185746_100011470457 [0,1,0,0,0,1|1,0,1]=4 4948 B14R1.3995 C=CC(=O)Cc1cccc(c1OC)C 1458a_100000185746_100012349798 [0,1,0,0,0,1|1,0,1]=4 4949 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)Br 1626a_100011935253_100000185746 [0,1,0,0,0,1|1,0,1]=4 4950 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)Br 22a_100011935253_100000185746 [0,1,0,0,0,1|1,0,1]=4 4951 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)C 1626a_100012017360_100000185746 [0,1,0,0,0,1|1,0,1]=4 4952 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)C 22a_100012017360_100000185746 [0,1,0,0,0,1|1,0,1]=4 4953 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)Cl 1626a_100000743799_100000185746 [0,1,0,0,0,1|1,0,1]=4 4954 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)Cl 22a_100000743799_100000185746 [0,1,0,0,0,1|1,0,1]=4 4955 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)F 1626a_100011215007_100000185746 [0,1,0,0,0,1|1,0,1]=4 4956 B14R1.3995 C=CC(=O)Nc1cccc(c1OC)F 22a_100011215007_100000185746 [0,1,0,0,0,1|1,0,1]=4 4957 B14R1.3995 C=Cc1c(cccc1CC(=O)OC)C 271570a_100011290941_200010150888 [0,1,0,0,0,1|1,0,1]=4 4958 B14R1.3995 CCC(=O)Cc1cccc(c1OC)Br 1458a_100000210414_100011470457 [0,1,0,0,0,1|1,0,0]=3 4959 B14R1.3995 CCC(=O)Cc1cccc(c1OC)C 1458a_100000210414_100012349798 [0,1,0,0,0,1|1,0,0]=3 4960 B14R1.3995 CCC(=O)Cc1cccc(c1OC)F 1458a_100000061543_100000210202 [0,1,0,0,0,1|1,0,0]=3 4961 B14R1.3995 CCC(=O)Cc1nccc(c1OC)Cl 1458a_100000210414_100015371371 [0,1,0,0,0,1|2,0,0]=4 4962 B14R1.3995 CCC(=O)Nc1cccc(c1OC)Br 11a_100011935253_100000210414 [0,1,0,0,0,1|1,0,0]=3 4963 B14R1.3995 CCC(=O)Nc1cccc(c1OC)Br 1626a_100011935253_100000210414 [0,1,0,0,0,1|1,0,0]=3 4964 B14R1.3995 CCC(=O)Nc1cccc(c1OC)Br 22a_100011935253_100000210414 [0,1,0,0,0,1|1,0,0]=3 4965 B14R1.3995 CCC(=O)Nc1cccc(c1OC)Br 527a_100011935253_100000210414 [0,1,0,0,0,1|1,0,0]=3 4966 B14R1.3995 CCC(=O)Nc1cccc(c1OC)C 11a_100012017360_100000210414 [0,1,0,0,0,1|1,0,0]=3 4967 B14R1.3995 CCC(=O)Nc1cccc(c1OC)C 1626a_100012017360_100000210414 [0,1,0,0,0,1|1,0,0]=3 4968 B14R1.3995 CCC(=O)Nc1cccc(c1OC)C 22a_100012017360_100000210414 [0,1,0,0,0,1|1,0,0]=3 4969 B14R1.3995 CCC(=O)Nc1cccc(c1OC)C 527a_100012017360_100000210414 [0,1,0,0,0,1|1,0,0]=3 4970 B14R1.3995 CCC(=O)Nc1cccc(c1OC)Cl 11a_100000743799_100000210414 [0,1,0,0,0,1|1,0,0]=3 4971 B14R1.3995 CCC(=O)Nc1cccc(c1OC)Cl 1626a_100000743799_100000210414 [0,1,0,0,0,1|1,0,0]=3 4972 B14R1.3995 CCC(=O)Nc1cccc(c1OC)Cl 22a_100000743799_100000210414 [0,1,0,0,0,1|1,0,0]=3 4973 B14R1.3995 CCC(=O)Nc1cccc(c1OC)Cl 527a_100000743799_100000210414 [0,1,0,0,0,1|1,0,0]=3 4974 B14R1.3995 CCC(=O)Nc1cccc(c1OC)F 11a_100011215007_100000210414 [0,1,0,0,0,1|1,0,0]=3 4975 B14R1.3995 CCC(=O)Nc1cccc(c1OC)F 1626a_100011215007_100000210414 [0,1,0,0,0,1|1,0,0]=3 4976 B14R1.3995 CCC(=O)Nc1cccc(c1OC)F 22a_100011215007_100000210414 [0,1,0,0,0,1|1,0,0]=3 4977 B14R1.3995 CCC(=O)Nc1cccc(c1OC)F 527a_100011215007_100000210414 [0,1,0,0,0,1|1,0,0]=3 4978 B14R1.3995 CNC(=O)Cc1cccc(c1OC)F 11a_106832991635_100000061543 [0,1,0,0,0,1|1,0,0]=3 4979 B14R1.3995 CNC(=O)Cc1cccc(c1OC)F 1626a_100102657272_100000061543 [0,1,0,0,0,1|1,0,0]=3 4980 B14R1.3995 CNC(=O)Cc1cccc(c1OC)F 240690a_100102657272_100000061543 [0,1,0,0,0,1|1,0,0]=3 4981 B14R1.3995 CNC(=O)Cc1cccc(c1OC)F 527a_100102657272_100000061543 [0,1,0,0,0,1|1,0,0]=3 4982 B14R1.3995 CNC(=O)Nc1cccc(c1OC)Br 2430a_100011935253_100102657272 [0,1,0,0,0,1|1,0,0]=3 4983 B14R1.3995 CNC(=O)Nc1cccc(c1OC)Br 512a_100011935253_100102657272 [0,1,0,0,0,1|1,0,0]=3 4984 B14R1.3995 CNC(=O)Nc1cccc(c1OC)C 2430a_100012017360_100102657272 [0,1,0,0,0,1|1,0,0]=3 4985 B14R1.3995 CNC(=O)Nc1cccc(c1OC)C 512a_100012017360_100102657272 [0,1,0,0,0,1|1,0,0]=3 4986 B14R1.3995 CNC(=O)Nc1cccc(c1OC)Cl 2430a_100000743799_100102657272 [0,1,0,0,0,1|1,0,0]=3 4987 B14R1.3995 CNC(=O)Nc1cccc(c1OC)Cl 512a_100000743799_100102657272 [0,1,0,0,0,1|1,0,0]=3 4988 B14R1.3995 CNC(=O)Nc1cccc(c1OC)F 2430a_100011215007_100102657272 [0,1,0,0,0,1|1,0,0]=3 4989 B14R1.3995 CNC(=O)Nc1cccc(c1OC)F 512a_100011215007_100102657272 [0,1,0,0,0,1|1,0,0]=3 4990 B14R1.3995 COC(=O)Cc1cccc(c1OC)Br 34a_100010150830_200000210301 [0,1,0,0,0,1|0,0,0]=2 4991 B14R1.3995 COC(=O)Cc1cccc(c1OC)Br 7a_100010150830_200000210301 [0,1,0,0,0,1|0,0,0]=2 4992 B14R1.3995 COC(=O)Cc1cccc(c1O[13CH3])Br 34a_100010150830_200025704644 [0,1,0,0,0,1|0,0,0]=2 4993 B14R1.3995 COC(=O)Cc1cccc(c1O[13CH3])Br 7a_100010150830_200025704644 [0,1,0,0,0,1|0,0,0]=2 4994 B14R1.3995 COC(=O)Cc1cccc(c1SC)C 62a_200000210301_200010150888 [0,1,0,0,0,1|0,1,0]=3 4995 B14R1.3995 COC(=O)Cc1cccc(c1SC)C 62a_200010150888_200000210301 [0,1,0,0,0,1|0,1,0]=3 4996 B14R1.3995 COC(=O)Cc1cccc(c1S[13CH3])C 62a_200010150888_200025704644 [0,1,0,0,0,1|0,1,0]=3 4997 B14R1.3995 COC(=O)Cc1cccc(c1S[13CH3])C 62a_200025704644_200010150888 [0,1,0,0,0,1|0,1,0]=3 4998 B14R1.3995 COc1c(cccc1CC(=O)CF)F 1458a_100000061543_100015361967 [0,1,0,0,0,1|2,0,0]=4 4999 B14R1.3995 COc1c(cccc1CC(=O)CO)Br 1458a_100000210174_100011470457 [0,1,0,0,0,1|2,0,0]=4 5000 B14R1.3995 COc1c(cccc1CC(=O)CO)C 1458a_100000210174_100012349798 [0,1,0,0,0,1|2,0,0]=4 5001 B14R1.3995 COc1c(cccc1NC(=O)CO)Br 22a_100011935253_100000210174 [0,1,0,0,0,1|2,0,0]=4 5002 B14R1.3995 COc1c(cccc1NC(=O)CO)Br 527a_100011935253_100000210174 [0,1,0,0,0,1|2,0,0]=4 5003 B14R1.3995 COc1c(cccc1NC(=O)CO)C 22a_100012017360_100000210174 [0,1,0,0,0,1|2,0,0]=4 5004 B14R1.3995 COc1c(cccc1NC(=O)CO)C 527a_100012017360_100000210174 [0,1,0,0,0,1|2,0,0]=4 5005 B14R1.3995 COc1c(cccc1NC(=O)CO)Cl 22a_100000743799_100000210174 [0,1,0,0,0,1|2,0,0]=4 5006 B14R1.3995 COc1c(cccc1NC(=O)CO)Cl 527a_100000743799_100000210174 [0,1,0,0,0,1|2,0,0]=4 5007 B14R1.3995 COc1c(cccc1NC(=O)CO)F 22a_100011215007_100000210174 [0,1,0,0,0,1|2,0,0]=4 5008 B14R1.3995 COc1c(cccc1NC(=O)CO)F 527a_100011215007_100000210174 [0,1,0,0,0,1|2,0,0]=4 5009 B14R1.3995 COc1c(cccc1SC(C)OC)Br 62a_100009879195_100010146560 [0,1,0,0,0,1|1,0,1]=4 5010 B14R1.3995 COc1c(cccc1SC(C)OC)Br 62a_100010146560_100009879195 [0,1,0,0,0,1|1,0,1]=4 5011 B14R1.3995 COc1c(cccc1SC(C)OC)C 62a_100009879195_100010141385 [0,1,0,0,0,1|1,0,1]=4 5012 B14R1.3995 COc1c(cccc1SC(C)OC)C 62a_100010141385_100009879195 [0,1,0,0,0,1|1,0,1]=4 5013 B14R1.3995 COc1c(cccc1SC(C)OC)Cl 62a_100009879195_100010147678 [0,1,0,0,0,1|1,0,1]=4 5014 B14R1.3995 COc1c(cccc1SC(C)OC)Cl 62a_100010147678_100009879195 [0,1,0,0,0,1|1,0,1]=4 5015 B14R1.3995 COc1c(cccc1SC(C)OC)F 62a_100009816759_100009879195 [0,1,0,0,0,1|1,0,1]=4 5016 B14R1.3995 COc1c(cccc1SC(C)OC)F 62a_100009879195_100009816759 [0,1,0,0,0,1|1,0,1]=4 5017 B14R1.3995 COc1c(cccc1SC(C)OC)N 62a_100011935253_100009879195 [0,1,0,0,0,1|1,0,1]=4 5018 B14R1.3995 COc1c(cccc1SC(C)OC)O 62a_100009879195_100010234590 [0,1,0,0,0,1|1,0,1]=4 5019 B14R1.113 CCc1c(cccc1C(=O)C(C)C)Br 1458a_100010125490_100000210206 [0,2,0,0,0,0|2,0,0]=4 5020 B14R1.113 CCc1c(cccc1C(=O)N(C)C)Br 11a_100102631434_100010125490 [0,2,0,0,0,0|2,0,0]=4 5021 B14R1.113 CCc1c(cccc1C(=O)N(C)C)Br 1626a_100102631434_100010125490 [0,2,0,0,0,0|2,0,0]=4 5022 B14R1.113 CCc1c(cccc1C(=O)N(C)C)Br 240690a_100102631434_100010125490 [0,2,0,0,0,0|2,0,0]=4 5023 B14R1.113 CCc1c(cccc1C(=O)N(C)C)Br 527a_100102631434_100010125490 [0,2,0,0,0,0|2,0,0]=4 5024 B14R1.113 CN(C)C(=O)c1cccc(c1O[13CH3])N 34a_100012182727_200025704644 [0,2,0,0,0,0|1,0,0]=3 5025 B14R1.113 COc1c(cccc1C(=C(C)C)C)Br 271570a_200000049429_100010146560 [0,2,0,0,0,0|2,0,0]=4 5026 B14R1.113 COc1c(cccc1C(=C(C)C)C)C 271570a_200000049429_100010141385 [0,2,0,0,0,0|2,0,0]=4 5027 B14R1.113 COc1c(cccc1C(=C(C)C)C)Cl 271570a_200000049429_100010147678 [0,2,0,0,0,0|2,0,0]=4 5028 B14R1.113 COc1c(cccc1C(=C(C)C)C)F 271570a_200000049429_100009816759 [0,2,0,0,0,0|2,0,0]=4 5029 B14R1.113 COc1c(cccc1C(=C(C)C)C)N 271570a_200000049429_100011935253 [0,2,0,0,0,0|2,0,0]=4 5030 B14R1.113 COc1c(cccc1C(=C(C)C)C)O 271570a_200000049429_100010234590 [0,2,0,0,0,0|2,0,0]=4 5031 B14R1.113 COc1c(cccc1C(=O)C(C)C)Br 1458a_100000689802_100000210206 [0,2,0,0,0,0|1,0,0]=3 5032 B14R1.113 COc1c(cccc1C(=O)C(C)C)C 1458a_100000187929_100000210206 [0,2,0,0,0,0|1,0,0]=3 5033 B14R1.113 COc1c(cccc1C(=O)C(C)C)Cl 1458a_100011934004_100000210206 [0,2,0,0,0,0|1,0,0]=3 5034 B14R1.113 COc1c(cccc1C(=O)C(C)C)F 1458a_100011218433_100000210206 [0,2,0,0,0,0|1,0,0]=3 5035 B14R1.113 COc1c(cccc1C(=O)C(C)C)O 1458a_100000080799_100000210206 [0,2,0,0,0,0|1,0,0]=3 5036 B14R1.113 COc1c(cccc1C(=O)N(C)C)Br 11a_100102631434_100000689802 [0,2,0,0,0,0|1,0,0]=3 5037 B14R1.113 COc1c(cccc1C(=O)N(C)C)Br 1626a_100102631434_100000689802 [0,2,0,0,0,0|1,0,0]=3 5038 B14R1.113 COc1c(cccc1C(=O)N(C)C)Br 240690a_100102631434_100000689802 [0,2,0,0,0,0|1,0,0]=3 5039 B14R1.113 COc1c(cccc1C(=O)N(C)C)Br 527a_100102631434_100000689802 [0,2,0,0,0,0|1,0,0]=3 5040 B14R1.113 COc1c(cccc1C(=O)N(C)C)C 11a_100102631434_100000187929 [0,2,0,0,0,0|1,0,0]=3 5041 B14R1.113 COc1c(cccc1C(=O)N(C)C)C 1626a_100102631434_100000187929 [0,2,0,0,0,0|1,0,0]=3 5042 B14R1.113 COc1c(cccc1C(=O)N(C)C)C 240690a_100102631434_100000187929 [0,2,0,0,0,0|1,0,0]=3 5043 B14R1.113 COc1c(cccc1C(=O)N(C)C)C 527a_100102631434_100000187929 [0,2,0,0,0,0|1,0,0]=3 5044 B14R1.113 COc1c(cccc1C(=O)N(C)C)Cl 11a_100102631434_100011934004 [0,2,0,0,0,0|1,0,0]=3 5045 B14R1.113 COc1c(cccc1C(=O)N(C)C)Cl 1626a_100102631434_100011934004 [0,2,0,0,0,0|1,0,0]=3 5046 B14R1.113 COc1c(cccc1C(=O)N(C)C)Cl 240690a_100102631434_100011934004 [0,2,0,0,0,0|1,0,0]=3 5047 B14R1.113 COc1c(cccc1C(=O)N(C)C)Cl 527a_100102631434_100011934004 [0,2,0,0,0,0|1,0,0]=3 5048 B14R1.113 COc1c(cccc1C(=O)N(C)C)F 11a_100102631434_100011218433 [0,2,0,0,0,0|1,0,0]=3 5049 B14R1.113 COc1c(cccc1C(=O)N(C)C)F 1626a_100102631434_100011218433 [0,2,0,0,0,0|1,0,0]=3 5050 B14R1.113 COc1c(cccc1C(=O)N(C)C)F 240690a_100102631434_100011218433 [0,2,0,0,0,0|1,0,0]=3 5051 B14R1.113 COc1c(cccc1C(=O)N(C)C)F 527a_100102631434_100011218433 [0,2,0,0,0,0|1,0,0]=3 5052 B14R1.113 COc1c(cccc1C(=O)N(C)C)N 34a_100012182727_200000210301 [0,2,0,0,0,0|1,0,0]=3 5053 B14R1.429 C=C(C)c1ccccc1C(=O)N(C)C 271570a_100000694244_100000159526 [0,2,0,0,0,0|2,0,0]=4 5054 B14R1.429 CC(=O)c1ccccc1C(=O)N(C)C 1458a_200000753992_200000210301 [0,2,0,0,0,0|2,0,0]=4 5055 B14R1.429 CC(C)C(=O)c1ccccc1C(C)C 1458a_100011941426_100000210206 [0,2,0,0,0,0|2,0,0]=4 5056 B14R1.429 CC(C)C(=O)c1ccccc1N(C)C 1458a_100011218752_100000210206 [0,2,0,0,0,0|2,0,0]=4 5057 B14R1.429 CC(C)C(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210206 [0,2,0,0,0,0|1,1,0]=4 5058 B14R1.429 CC(C)c1ccccc1C(=O)N(C)C 11a_100102631434_100011941426 [0,2,0,0,0,0|2,0,0]=4 5059 B14R1.429 CC(C)c1ccccc1C(=O)N(C)C 1626a_100102631434_100011941426 [0,2,0,0,0,0|2,0,0]=4 5060 B14R1.429 CC(C)c1ccccc1C(=O)N(C)C 240690a_100102631434_100011941426 [0,2,0,0,0,0|2,0,0]=4 5061 B14R1.429 CC(C)c1ccccc1C(=O)N(C)C 527a_100102631434_100011941426 [0,2,0,0,0,0|2,0,0]=4 5062 B14R1.429 CN(C)C(=O)c1ccccc1C(=O)[13CH3] 1458a_200000753992_200025704644 [0,2,0,0,0,0|2,0,0]=4 5063 B14R1.429 CN(C)C(=O)c1ccccc1N(C)C 11a_100102631434_100011218752 [0,2,0,0,0,0|2,0,0]=4 5064 B14R1.429 CN(C)C(=O)c1ccccc1N(C)C 1626a_100102631434_100011218752 [0,2,0,0,0,0|2,0,0]=4 5065 B14R1.429 CN(C)C(=O)c1ccccc1N(C)C 240690a_100102631434_100011218752 [0,2,0,0,0,0|2,0,0]=4 5066 B14R1.429 CN(C)C(=O)c1ccccc1N(C)C 527a_100102631434_100011218752 [0,2,0,0,0,0|2,0,0]=4 5067 B14R1.429 CN(C)C(=O)c1ccccc1S(=O)C 1626a_100102631434_100000204632 [0,2,0,0,0,0|1,1,0]=4 5068 B14R1.429 CN(C)C(=O)c1ccccc1S(=O)C 240690a_100102631434_100000204632 [0,2,0,0,0,0|1,1,0]=4 5069 B14R1.481 CC=Cc1ccccc1C(=O)N(C)C 271570a_100016259895_100000159526 [0,2,0,0,0,0|2,0,0]=4 5070 B14R1.481 CCNc1ccccc1C(=O)N(C)C 34a_100000188421_100000210202 [0,2,0,0,0,0|2,0,0]=4 5071 B14R1.481 CCOc1ccccc1C(=C(C)C)C 271570a_200000049429_100000230754 [0,2,0,0,0,0|2,0,0]=4 5072 B14R1.481 CCOc1ccccc1C(=O)C(C)C 1458a_100000211144_100000210206 [0,2,0,0,0,0|1,0,0]=3 5073 B14R1.481 CCOc1ccccc1C(=O)N(C)C 11a_100102631434_100000211144 [0,2,0,0,0,0|1,0,0]=3 5074 B14R1.481 CCOc1ccccc1C(=O)N(C)C 1626a_100102631434_100000211144 [0,2,0,0,0,0|1,0,0]=3 5075 B14R1.481 CCOc1ccccc1C(=O)N(C)C 240690a_100102631434_100000211144 [0,2,0,0,0,0|1,0,0]=3 5076 B14R1.481 CCOc1ccccc1C(=O)N(C)C 34a_100000192106_100000210202 [0,2,0,0,0,0|1,0,0]=3 5077 B14R1.481 CCOc1ccccc1C(=O)N(C)C 527a_100102631434_100000211144 [0,2,0,0,0,0|1,0,0]=3 5078 B14R1.481 CCOc1ccccc1C(=O)N(C)C 7a_100000192106_100000210202 [0,2,0,0,0,0|1,0,0]=3 5079 B14R1.481 CCOc1cccnc1C(=O)N(C)C 34a_200011376111_100000210202 [0,2,0,0,0,0|2,0,0]=4 5080 B14R1.481 CCOc1cccnc1C(=O)N(C)C 7a_200011376111_100000210202 [0,2,0,0,0,0|2,0,0]=4 5081 B14R1.481 CCSc1ccccc1C(=O)C(C)C 1458a_100000195471_100000210206 [0,2,0,0,0,0|1,1,0]=4 5082 B14R1.481 CCSc1ccccc1C(=O)N(C)C 11a_100102631434_100000195471 [0,2,0,0,0,0|1,1,0]=4 5083 B14R1.481 CCSc1ccccc1C(=O)N(C)C 1626a_100102631434_100000195471 [0,2,0,0,0,0|1,1,0]=4 5084 B14R1.481 CCSc1ccccc1C(=O)N(C)C 240690a_100102631434_100000195471 [0,2,0,0,0,0|1,1,0]=4 5085 B14R1.481 CCSc1ccccc1C(=O)N(C)C 527a_100102631434_100000195471 [0,2,0,0,0,0|1,1,0]=4 5086 B14R1.481 CCSc1ccccc1C(=O)N(C)C 62a_100000159526_100000210202 [0,2,0,0,0,0|1,1,0]=4 5087 B14R1.481 CCSc1ccccc1C(=O)N(C)C 62a_100000210202_100000159526 [0,2,0,0,0,0|1,1,0]=4 5088 B14R1.481 CN(C)C(=O)c1ccccc1NCF 34a_100000188421_100015361967 [0,2,0,0,0,0|2,0,0]=4 5089 B14R1.481 CN(C)C(=O)c1ccccc1OCF 34a_100000192106_100015361967 [0,2,0,0,0,0|1,0,0]=3 5090 B14R1.481 CN(C)C(=O)c1ccccc1OCF 7a_100000192106_100015361967 [0,2,0,0,0,0|1,0,0]=3 5091 B14R1.481 CN(C)C(=O)c1ccccc1SCF 62a_100000159526_100015361967 [0,2,0,0,0,0|1,1,0]=4 5092 B14R1.481 CN(C)C(=O)c1ccccc1SCF 62a_100015361967_100000159526 [0,2,0,0,0,0|1,1,0]=4 5093 B14R1.481 CN(C)C(=O)c1ncccc1OCF 34a_200011376111_100015361967 [0,2,0,0,0,0|2,0,0]=4 5094 B14R1.481 CN(C)C(=O)c1ncccc1OCF 7a_200011376111_100015361967 [0,2,0,0,0,0|2,0,0]=4 5095 B14R1.481 COCc1ccccc1C(=C(C)C)C 271570a_200000049429_100011493684 [0,2,0,0,0,0|2,0,0]=4 5096 B14R1.481 COCc1ccccc1C(=O)C(C)C 1458a_100000737999_100000210206 [0,2,0,0,0,0|1,0,0]=3 5097 B14R1.481 COCc1ccccc1C(=O)N(C)C 11a_100102631434_100000737999 [0,2,0,0,0,0|1,0,0]=3 5098 B14R1.481 COCc1ccccc1C(=O)N(C)C 1626a_100102631434_100000737999 [0,2,0,0,0,0|1,0,0]=3 5099 B14R1.481 COCc1ccccc1C(=O)N(C)C 240690a_100102631434_100000737999 [0,2,0,0,0,0|1,0,0]=3 5100 B14R1.481 COCc1ccccc1C(=O)N(C)C 527a_100102631434_100000737999 [0,2,0,0,0,0|1,0,0]=3 5101 B14R1.839 COc1ccccc1C(=O)C(F)(F)F 1458a_100000185835_200000243211 [0,2,0,0,0,0|2,0,0]=4 5102 B14R1.839 COc1ccccc1C(=O)C(F)(F)F 34a_100000084075_200000210301 [0,2,0,0,0,0|2,0,0]=4 5103 B14R1.839 COc1ccccc1C(=O)C(F)(F)F 7a_100000084075_200000210301 [0,2,0,0,0,0|2,0,0]=4 5104 B14R1.839 [13CH3]Oc1ccccc1C(=O)C(F)(F)F 34a_100000084075_200025704644 [0,2,0,0,0,0|2,0,0]=4 5105 B14R1.839 [13CH3]Oc1ccccc1C(=O)C(F)(F)F 7a_100000084075_200025704644 [0,2,0,0,0,0|2,0,0]=4 5106 B14R1.841 CCN(C(=O)C)c1ccccc1OC 11a_100020603010_100015343762 [0,2,0,0,0,0|2,0,0]=4 5107 B14R1.841 CCN(C(=O)C)c1ccccc1OC 1626a_100020603010_100015343762 [0,2,0,0,0,0|2,0,0]=4 5108 B14R1.841 CCN(C(=O)C)c1ccccc1OC 22a_100020603010_100000070787 [0,2,0,0,0,0|2,0,0]=4 5109 B14R1.841 CNC(C(=O)O)c1ccccc1OC 269956a_100159357704_200000210301 [0,2,0,0,0,0|1,0,1]=4 5110 B14R1.841 COc1ccccc1C(N[13CH3])C(=O)O 269956a_100159357704_200025704644 [0,2,0,0,0,0|1,0,1]=4 5111 B14R1.1592 CCc1cc(ccc1C(=O)C(C)C)Br 1458a_200012349896_100000210206 [0,2,0,0,0,0|2,0,0]=4 5112 B14R1.1592 CCc1cc(ccc1C(=O)N(C)C)Br 11a_100102631434_200012349896 [0,2,0,0,0,0|2,0,0]=4 5113 B14R1.1592 CCc1cc(ccc1C(=O)N(C)C)Br 1626a_100102631434_200012349896 [0,2,0,0,0,0|2,0,0]=4 5114 B14R1.1592 CCc1cc(ccc1C(=O)N(C)C)Br 240690a_100102631434_200012349896 [0,2,0,0,0,0|2,0,0]=4 5115 B14R1.1592 CCc1cc(ccc1C(=O)N(C)C)Br 527a_100102631434_200012349896 [0,2,0,0,0,0|2,0,0]=4 5116 B14R1.1592 CN(C)C(=O)c1ccc(cc1N[13CH3])Cl 34a_100000738152_200025704644 [0,2,0,0,0,0|2,0,0]=4 5117 B14R1.1592 CN(C)C(=O)c1ccc(cc1N[13CH3])Cl 7a_100000738152_200025704644 [0,2,0,0,0,0|2,0,0]=4 5118 B14R1.1592 CNc1cc(ccc1C(=O)N(C)C)Cl 34a_100000738152_200000210301 [0,2,0,0,0,0|2,0,0]=4 5119 B14R1.1592 CNc1cc(ccc1C(=O)N(C)C)Cl 7a_100000738152_200000210301 [0,2,0,0,0,0|2,0,0]=4 5120 B14R1.1592 COc1cc(ccc1C(=C(C)C)C)Br 271570a_200000049429_100010245111 [0,2,0,0,0,0|2,0,0]=4 5121 B14R1.1592 COc1cc(ccc1C(=C(C)C)C)C 271570a_200000049429_100010200004 [0,2,0,0,0,0|2,0,0]=4 5122 B14R1.1592 COc1cc(ccc1C(=C(C)C)C)Cl 271570a_200000049429_100000050115 [0,2,0,0,0,0|2,0,0]=4 5123 B14R1.1592 COc1cc(ccc1C(=C(C)C)C)F 271570a_200000049429_100000757151 [0,2,0,0,0,0|2,0,0]=4 5124 B14R1.1592 COc1cc(ccc1C(=C(C)C)C)N 271570a_200000049429_100000765947 [0,2,0,0,0,0|2,0,0]=4 5125 B14R1.1592 COc1cc(ccc1C(=C(C)C)C)O 271570a_200000049429_100011827694 [0,2,0,0,0,0|2,0,0]=4 5126 B14R1.1592 COc1cc(ccc1C(=O)C(C)C)Br 1458a_100000748230_100000210206 [0,2,0,0,0,0|1,0,0]=3 5127 B14R1.1592 COc1cc(ccc1C(=O)C(C)C)C 1458a_100000217210_100000210206 [0,2,0,0,0,0|1,0,0]=3 5128 B14R1.1592 COc1cc(ccc1C(=O)C(C)C)Cl 1458a_100000217211_100000210206 [0,2,0,0,0,0|1,0,0]=3 5129 B14R1.1592 COc1cc(ccc1C(=O)C(C)C)F 1458a_100000239970_100000210206 [0,2,0,0,0,0|1,0,0]=3 5130 B14R1.1592 COc1cc(ccc1C(=O)C(C)C)I 1458a_100012353712_100000210206 [0,2,0,0,0,0|1,0,0]=3 5131 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)Br 11a_100102631434_100000748230 [0,2,0,0,0,0|1,0,0]=3 5132 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)Br 1626a_100102631434_100000748230 [0,2,0,0,0,0|1,0,0]=3 5133 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)Br 240690a_100102631434_100000748230 [0,2,0,0,0,0|1,0,0]=3 5134 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)Br 527a_100102631434_100000748230 [0,2,0,0,0,0|1,0,0]=3 5135 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)C 11a_100102631434_100000217210 [0,2,0,0,0,0|1,0,0]=3 5136 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)C 1626a_100102631434_100000217210 [0,2,0,0,0,0|1,0,0]=3 5137 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)C 240690a_100102631434_100000217210 [0,2,0,0,0,0|1,0,0]=3 5138 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)C 527a_100102631434_100000217210 [0,2,0,0,0,0|1,0,0]=3 5139 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)Cl 11a_100102631434_100000217211 [0,2,0,0,0,0|1,0,0]=3 5140 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)Cl 1626a_100102631434_100000217211 [0,2,0,0,0,0|1,0,0]=3 5141 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)Cl 240690a_100102631434_100000217211 [0,2,0,0,0,0|1,0,0]=3 5142 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)Cl 527a_100102631434_100000217211 [0,2,0,0,0,0|1,0,0]=3 5143 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)F 11a_100102631434_100000239970 [0,2,0,0,0,0|1,0,0]=3 5144 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)F 1626a_100102631434_100000239970 [0,2,0,0,0,0|1,0,0]=3 5145 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)F 240690a_100102631434_100000239970 [0,2,0,0,0,0|1,0,0]=3 5146 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)F 527a_100102631434_100000239970 [0,2,0,0,0,0|1,0,0]=3 5147 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)I 11a_100102631434_100012353712 [0,2,0,0,0,0|1,0,0]=3 5148 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)I 1626a_100102631434_100012353712 [0,2,0,0,0,0|1,0,0]=3 5149 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)I 240690a_100102631434_100012353712 [0,2,0,0,0,0|1,0,0]=3 5150 B14R1.1592 COc1cc(ccc1C(=O)N(C)C)I 527a_100102631434_100012353712 [0,2,0,0,0,0|1,0,0]=3 5151 B14R1.1711 COc1ccccc1S(=O)(=O)N(C)C 270084a_100102631434_100000183792 [0,2,0,0,0,0|2,0,0]=4 5152 B14R1.1711 COc1ccccc1S(=O)(=O)N(C)C 274078a_100102631434_100000183792 [0,2,0,0,0,0|2,0,0]=4 5153 B14R1.1867 CCc1ccc(cc1C(=O)C(C)C)Br 1458a_100012343961_100000210206 [0,2,0,0,0,0|2,0,0]=4 5154 B14R1.1867 CCc1ccc(cc1C(=O)N(C)C)Br 11a_100102631434_100012343961 [0,2,0,0,0,0|2,0,0]=4 5155 B14R1.1867 CCc1ccc(cc1C(=O)N(C)C)Br 1626a_100102631434_100012343961 [0,2,0,0,0,0|2,0,0]=4 5156 B14R1.1867 CCc1ccc(cc1C(=O)N(C)C)Br 240690a_100102631434_100012343961 [0,2,0,0,0,0|2,0,0]=4 5157 B14R1.1867 CCc1ccc(cc1C(=O)N(C)C)Br 527a_100102631434_100012343961 [0,2,0,0,0,0|2,0,0]=4 5158 B14R1.1867 CN(C)C(=O)c1cc(ccc1N[13CH3])Br 34a_100012355269_200025704644 [0,2,0,0,0,0|2,0,0]=4 5159 B14R1.1867 CN(C)C(=O)c1cc(ccc1N[13CH3])Br 7a_100012355269_200025704644 [0,2,0,0,0,0|2,0,0]=4 5160 B14R1.1867 CN(C)C(=O)c1cc(ccc1N[13CH3])Cl 34a_100011200723_200025704644 [0,2,0,0,0,0|2,0,0]=4 5161 B14R1.1867 CN(C)C(=O)c1cc(ccc1N[13CH3])F 34a_100000707272_200025704644 [0,2,0,0,0,0|2,0,0]=4 5162 B14R1.1867 CN(C)C(=O)c1cc(ccc1O[13CH3])N 34a_200000118641_200025704644 [0,2,0,0,0,0|1,0,0]=3 5163 B14R1.1867 CN(C)C(=O)c1cc(ccc1O[13CH3])N 7a_200000118641_200025704644 [0,2,0,0,0,0|1,0,0]=3 5164 B14R1.1867 CN(C)C(=O)c1cc(ccc1S[13CH3])F 62a_200000206186_200025704644 [0,2,0,0,0,0|1,1,0]=4 5165 B14R1.1867 CN(C)C(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_200000206186 [0,2,0,0,0,0|1,1,0]=4 5166 B14R1.1867 CNc1ccc(cc1C(=O)N(C)C)Br 34a_100012355269_200000210301 [0,2,0,0,0,0|2,0,0]=4 5167 B14R1.1867 CNc1ccc(cc1C(=O)N(C)C)Br 7a_100012355269_200000210301 [0,2,0,0,0,0|2,0,0]=4 5168 B14R1.1867 CNc1ccc(cc1C(=O)N(C)C)Cl 34a_100011200723_200000210301 [0,2,0,0,0,0|2,0,0]=4 5169 B14R1.1867 CNc1ccc(cc1C(=O)N(C)C)F 34a_100000707272_200000210301 [0,2,0,0,0,0|2,0,0]=4 5170 B14R1.1867 COc1ccc(cc1C(=C(C)C)C)Br 271570a_200000049429_100012351588 [0,2,0,0,0,0|2,0,0]=4 5171 B14R1.1867 COc1ccc(cc1C(=C(C)C)C)C 271570a_200000049429_100000186399 [0,2,0,0,0,0|2,0,0]=4 5172 B14R1.1867 COc1ccc(cc1C(=C(C)C)C)Cl 271570a_200000049429_100011215930 [0,2,0,0,0,0|2,0,0]=4 5173 B14R1.1867 COc1ccc(cc1C(=C(C)C)C)F 271570a_200000049429_100000171694 [0,2,0,0,0,0|2,0,0]=4 5174 B14R1.1867 COc1ccc(cc1C(=C(C)C)C)N 271570a_200000049429_100000187427 [0,2,0,0,0,0|2,0,0]=4 5175 B14R1.1867 COc1ccc(cc1C(=C(C)C)C)O 271570a_200000049429_100010084122 [0,2,0,0,0,0|2,0,0]=4 5176 B14R1.1867 COc1ccc(cc1C(=O)C(C)C)Br 1458a_100000188853_100000210206 [0,2,0,0,0,0|1,0,0]=3 5177 B14R1.1867 COc1ccc(cc1C(=O)C(C)C)C 1458a_100000204667_100000210206 [0,2,0,0,0,0|1,0,0]=3 5178 B14R1.1867 COc1ccc(cc1C(=O)C(C)C)Cl 1458a_100000211409_100000210206 [0,2,0,0,0,0|1,0,0]=3 5179 B14R1.1867 COc1ccc(cc1C(=O)C(C)C)F 1458a_100000735445_100000210206 [0,2,0,0,0,0|1,0,0]=3 5180 B14R1.1867 COc1ccc(cc1C(=O)C(C)C)I 1458a_100000230898_100000210206 [0,2,0,0,0,0|1,0,0]=3 5181 B14R1.1867 COc1ccc(cc1C(=O)C(C)C)O 1458a_200000100057_100000210206 [0,2,0,0,0,0|1,0,0]=3 5182 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)Br 11a_100102631434_100000188853 [0,2,0,0,0,0|1,0,0]=3 5183 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)Br 1626a_100102631434_100000188853 [0,2,0,0,0,0|1,0,0]=3 5184 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)Br 240690a_100102631434_100000188853 [0,2,0,0,0,0|1,0,0]=3 5185 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)Br 527a_100102631434_100000188853 [0,2,0,0,0,0|1,0,0]=3 5186 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)C 11a_100102631434_100000204667 [0,2,0,0,0,0|1,0,0]=3 5187 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)C 1626a_100102631434_100000204667 [0,2,0,0,0,0|1,0,0]=3 5188 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)C 240690a_100102631434_100000204667 [0,2,0,0,0,0|1,0,0]=3 5189 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)C 527a_100102631434_100000204667 [0,2,0,0,0,0|1,0,0]=3 5190 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)Cl 11a_100102631434_100000211409 [0,2,0,0,0,0|1,0,0]=3 5191 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)Cl 1626a_100102631434_100000211409 [0,2,0,0,0,0|1,0,0]=3 5192 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)Cl 240690a_100102631434_100000211409 [0,2,0,0,0,0|1,0,0]=3 5193 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)Cl 527a_100102631434_100000211409 [0,2,0,0,0,0|1,0,0]=3 5194 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)F 11a_100102631434_100000735445 [0,2,0,0,0,0|1,0,0]=3 5195 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)F 1626a_100102631434_100000735445 [0,2,0,0,0,0|1,0,0]=3 5196 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)F 240690a_100102631434_100000735445 [0,2,0,0,0,0|1,0,0]=3 5197 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)F 527a_100102631434_100000735445 [0,2,0,0,0,0|1,0,0]=3 5198 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)I 11a_100102631434_100000230898 [0,2,0,0,0,0|1,0,0]=3 5199 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)I 1626a_100102631434_100000230898 [0,2,0,0,0,0|1,0,0]=3 5200 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)I 240690a_100102631434_100000230898 [0,2,0,0,0,0|1,0,0]=3 5201 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)I 527a_100102631434_100000230898 [0,2,0,0,0,0|1,0,0]=3 5202 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)N 34a_200000118641_200000210301 [0,2,0,0,0,0|1,0,0]=3 5203 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)N 7a_200000118641_200000210301 [0,2,0,0,0,0|1,0,0]=3 5204 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)O 240690a_100102631434_200000100057 [0,2,0,0,0,0|1,0,0]=3 5205 B14R1.1867 COc1ccc(cc1C(=O)N(C)C)O 527a_100102631434_200000100057 [0,2,0,0,0,0|1,0,0]=3 5206 B14R1.1867 CSc1ccc(cc1C(=O)N(C)C)F 62a_200000206186_200000210301 [0,2,0,0,0,0|1,1,0]=4 5207 B14R1.1867 CSc1ccc(cc1C(=O)N(C)C)F 62a_200000210301_200000206186 [0,2,0,0,0,0|1,1,0]=4 5208 B14R1.2196 COc1cccc(c1C(=C(C)C)C)Br 271570a_200000049429_100010131421 [0,2,0,0,0,0|2,0,0]=4 5209 B14R1.2196 COc1cccc(c1C(=C(C)C)C)F 271570a_200000049429_100000041735 [0,2,0,0,0,0|2,0,0]=4 5210 B14R1.2196 COc1cccc(c1C(=C(C)C)C)N 271570a_200000049429_100000703447 [0,2,0,0,0,0|2,0,0]=4 5211 B14R1.2196 COc1cccc(c1C(=C(C)C)C)O 271570a_200000049429_100010202623 [0,2,0,0,0,0|2,0,0]=4 5212 B14R1.2196 COc1cccc(c1C(=O)C(C)C)Br 1458a_100011593405_100000210206 [0,2,0,0,0,0|1,0,0]=3 5213 B14R1.2196 COc1cccc(c1C(=O)C(C)C)C 1458a_100000066212_100000210206 [0,2,0,0,0,0|1,0,0]=3 5214 B14R1.2196 COc1cccc(c1C(=O)C(C)C)Cl 1458a_100000743539_100000210206 [0,2,0,0,0,0|1,0,0]=3 5215 B14R1.2196 COc1cccc(c1C(=O)C(C)C)F 1458a_100000759380_100000210206 [0,2,0,0,0,0|1,0,0]=3 5216 B14R1.2196 COc1cccc(c1C(=O)C(C)C)I 1458a_100010179659_100000210206 [0,2,0,0,0,0|1,0,0]=3 5217 B14R1.2196 COc1cccc(c1C(=O)C(C)C)O 1458a_100000043310_100000210206 [0,2,0,0,0,0|1,0,0]=3 5218 B14R1.2196 COc1cccc(c1C(=O)N(C)C)Br 11a_100102631434_100011593405 [0,2,0,0,0,0|1,0,0]=3 5219 B14R1.2196 COc1cccc(c1C(=O)N(C)C)Br 1626a_100102631434_100011593405 [0,2,0,0,0,0|1,0,0]=3 5220 B14R1.2196 COc1cccc(c1C(=O)N(C)C)Br 240690a_100102631434_100011593405 [0,2,0,0,0,0|1,0,0]=3 5221 B14R1.2196 COc1cccc(c1C(=O)N(C)C)Br 527a_100102631434_100011593405 [0,2,0,0,0,0|1,0,0]=3 5222 B14R1.2196 COc1cccc(c1C(=O)N(C)C)C 11a_100102631434_100000066212 [0,2,0,0,0,0|1,0,0]=3 5223 B14R1.2196 COc1cccc(c1C(=O)N(C)C)C 1626a_100102631434_100000066212 [0,2,0,0,0,0|1,0,0]=3 5224 B14R1.2196 COc1cccc(c1C(=O)N(C)C)C 240690a_100102631434_100000066212 [0,2,0,0,0,0|1,0,0]=3 5225 B14R1.2196 COc1cccc(c1C(=O)N(C)C)Cl 11a_100102631434_100000743539 [0,2,0,0,0,0|1,0,0]=3 5226 B14R1.2196 COc1cccc(c1C(=O)N(C)C)Cl 1626a_100102631434_100000743539 [0,2,0,0,0,0|1,0,0]=3 5227 B14R1.2196 COc1cccc(c1C(=O)N(C)C)Cl 240690a_100102631434_100000743539 [0,2,0,0,0,0|1,0,0]=3 5228 B14R1.2196 COc1cccc(c1C(=O)N(C)C)Cl 527a_100102631434_100000743539 [0,2,0,0,0,0|1,0,0]=3 5229 B14R1.2196 COc1cccc(c1C(=O)N(C)C)F 11a_100102631434_100000759380 [0,2,0,0,0,0|1,0,0]=3 5230 B14R1.2196 COc1cccc(c1C(=O)N(C)C)F 1626a_100102631434_100000759380 [0,2,0,0,0,0|1,0,0]=3 5231 B14R1.2196 COc1cccc(c1C(=O)N(C)C)F 240690a_100102631434_100000759380 [0,2,0,0,0,0|1,0,0]=3 5232 B14R1.2196 COc1cccc(c1C(=O)N(C)C)F 527a_100102631434_100000759380 [0,2,0,0,0,0|1,0,0]=3 5233 B14R1.2196 COc1cccc(c1C(=O)N(C)C)I 11a_100102631434_100010179659 [0,2,0,0,0,0|1,0,0]=3 5234 B14R1.2196 COc1cccc(c1C(=O)N(C)C)I 1626a_100102631434_100010179659 [0,2,0,0,0,0|1,0,0]=3 5235 B14R1.2196 COc1cccc(c1C(=O)N(C)C)I 240690a_100102631434_100010179659 [0,2,0,0,0,0|1,0,0]=3 5236 B14R1.2196 COc1cccc(c1C(=O)N(C)C)I 527a_100102631434_100010179659 [0,2,0,0,0,0|1,0,0]=3 5237 B14R1.2196 COc1cccc(c1C(=O)N(C)C)O 240690a_100102631434_100000043310 [0,2,0,0,0,0|1,0,0]=3 5238 B14R1.204 CCN(CC=O)c1ccccc1OC 2230a_100020603010_200015260668 [0,2,0,0,0,0|2,0,0]=4 5239 B14R1.204 CCN(CC=O)c1ccccc1OC 269982a_100020603010_200015260668 [0,2,0,0,0,0|2,0,0]=4 5240 B14R1.204 CCN(COC)c1ccccc1OC 2230a_100020603010_100000766300 [0,2,0,0,0,0|2,0,0]=4 5241 B14R1.204 CCN(COC)c1ccccc1OC 269982a_100020603010_100000766300 [0,2,0,0,0,0|2,0,0]=4 5242 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)Br 271570a_100000694244_100010150843 [0,2,0,0,0,0|1,0,0]=3 5243 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)C 271570a_100000694244_100012002529 [0,2,0,0,0,0|1,0,0]=3 5244 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)F 271570a_100000694244_100012357630 [0,2,0,0,0,0|1,0,0]=3 5245 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)N 271570a_100000694244_100000719424 [0,2,0,0,0,0|1,0,0]=3 5246 B14R1.1153 C=C(C)c1c(cccc1C(=O)OC)O 271570a_100000694244_200010230364 [0,2,0,0,0,0|1,0,0]=3 5247 B14R1.1153 COC(=O)c1cccc(c1C(=O)C)Br 1458a_100010710481_200000210301 [0,2,0,0,0,0|1,0,0]=3 5248 B14R1.1153 COC(=O)c1cccc(c1C(=O)[13CH3])Br 1458a_100010710481_200025704644 [0,2,0,0,0,0|1,0,0]=3 5249 B14R1.2171 C=Cc1c(cccc1C(=O)OC)CC 271570a_100011290941_200009992460 [0,2,0,0,0,0|1,0,1]=4 5250 B14R1.2171 C=Cc1c(cccc1C(=O)OC)OC 271570a_100011290941_100010189551 [0,2,0,0,0,0|1,0,1]=4 5251 B14R1.2171 C=Cc1cccc(c1C#N)C(=O)OC 271570a_100011290941_100000766541 [0,2,0,0,0,0|2,0,0]=4 5252 B14R1.2171 C=Cc1cccc(c1OC)C(=O)OC 271570a_100011290941_100010233336 [0,2,0,0,0,0|0,0,0]=2 5253 B14R1.2171 CCC(=O)c1cccc(c1CC)OC 1458a_100000101922_100000210202 [0,2,0,0,0,0|2,0,0]=4 5254 B14R1.2171 CCC(=O)c1cccc(c1OC)OC 1458a_100000210806_100000210202 [0,2,0,0,0,0|1,0,0]=3 5255 B14R1.2171 CCc1c(cccc1C(=O)NC)OC 11a_106832991635_100000101922 [0,2,0,0,0,0|2,0,0]=4 5256 B14R1.2171 CCc1c(cccc1C(=O)NC)OC 1626a_100102657272_100000101922 [0,2,0,0,0,0|2,0,0]=4 5257 B14R1.2171 CCc1c(cccc1C(=O)NC)OC 240690a_100102657272_100000101922 [0,2,0,0,0,0|2,0,0]=4 5258 B14R1.2171 CCc1c(cccc1C(=O)NC)OC 527a_100102657272_100000101922 [0,2,0,0,0,0|2,0,0]=4 5259 B14R1.2171 CCc1c(cccc1C(=O)OC)OC 34a_200010668476_200000210301 [0,2,0,0,0,0|1,0,0]=3 5260 B14R1.2171 CCc1c(cccc1C(=O)OC)OC 7a_200010668476_200000210301 [0,2,0,0,0,0|1,0,0]=3 5261 B14R1.2171 CCc1c(cccc1C(=O)OC)O[13CH3] 34a_200010668476_200025704644 [0,2,0,0,0,0|1,0,0]=3 5262 B14R1.2171 CCc1c(cccc1C(=O)OC)O[13CH3] 7a_200010668476_200025704644 [0,2,0,0,0,0|1,0,0]=3 5263 B14R1.2171 CCc1cccc(c1SC)C(=O)OC 62a_200000210301_200009992460 [0,2,0,0,0,0|0,1,0]=3 5264 B14R1.2171 CCc1cccc(c1SC)C(=O)OC 62a_200009992460_200000210301 [0,2,0,0,0,0|0,1,0]=3 5265 B14R1.2171 CCc1cccc(c1S[13CH3])C(=O)OC 62a_200009992460_200025704644 [0,2,0,0,0,0|0,1,0]=3 5266 B14R1.2171 CCc1cccc(c1S[13CH3])C(=O)OC 62a_200025704644_200009992460 [0,2,0,0,0,0|0,1,0]=3 5267 B14R1.2171 CNC(=O)c1cccc(c1OC)OC 11a_106832991635_100000210806 [0,2,0,0,0,0|1,0,0]=3 5268 B14R1.2171 CNC(=O)c1cccc(c1OC)OC 1626a_100102657272_100000210806 [0,2,0,0,0,0|1,0,0]=3 5269 B14R1.2171 CNC(=O)c1cccc(c1OC)OC 240690a_100102657272_100000210806 [0,2,0,0,0,0|1,0,0]=3 5270 B14R1.2171 CNC(=O)c1cccc(c1OC)OC 527a_100102657272_100000210806 [0,2,0,0,0,0|1,0,0]=3 5271 B14R1.2171 COC(=O)c1cccc(c1C#N)SC 62a_200000210301_100000766541 [0,2,0,0,0,0|2,0,0]=4 5272 B14R1.2171 COC(=O)c1cccc(c1C#N)S[13CH3] 62a_200025704644_100000766541 [0,2,0,0,0,0|2,0,0]=4 5273 B14R1.2171 COC(=O)c1cccc(c1OC)SC 62a_100010233336_200000210301 [0,2,0,0,0,0|0,0,0]=2 5274 B14R1.2171 COC(=O)c1cccc(c1OC)S[13CH3] 62a_100010233336_200025704644 [0,2,0,0,0,0|0,0,0]=2 5275 B14R1.2171 COC(=O)c1cccc(c1SC)OC 62a_100010189551_200000210301 [0,2,0,0,0,0|0,1,0]=3 5276 B14R1.2171 COC(=O)c1cccc(c1SC)OC 62a_200000210301_100010189551 [0,2,0,0,0,0|0,1,0]=3 5277 B14R1.2171 COC(=O)c1cccc(c1S[13CH3])OC 62a_100010189551_200025704644 [0,2,0,0,0,0|0,1,0]=3 5278 B14R1.2171 COC(=O)c1cccc(c1S[13CH3])OC 62a_200025704644_100010189551 [0,2,0,0,0,0|0,1,0]=3 5279 B14R1.2171 COc1cccc(c1OC)C(=O)CF 1458a_100000210806_100015361967 [0,2,0,0,0,0|2,0,0]=4 5280 B14R1.3101 C=C=Cc1c(cccc1C(=O)OC)Br 271570a_100015277604_100010150843 [0,2,0,0,0,0|1,0,1]=4 5281 B14R1.3101 C=C=Cc1c(cccc1C(=O)OC)C 271570a_100015277604_100012002529 [0,2,0,0,0,0|1,0,1]=4 5282 B14R1.3101 C=C=Cc1c(cccc1C(=O)OC)F 271570a_100015277604_100012357630 [0,2,0,0,0,0|1,0,1]=4 5283 B14R1.3101 C=C=Cc1c(cccc1C(=O)OC)N 271570a_100015277604_100000719424 [0,2,0,0,0,0|1,0,1]=4 5284 B14R1.3101 C=C=Cc1c(cccc1C(=O)OC)O 271570a_100015277604_200010230364 [0,2,0,0,0,0|1,0,1]=4 5285 B14R1.3101 CC=Cc1c(cccc1C(=O)OC)Br 271570a_100016259895_100010150843 [0,2,0,0,0,0|1,0,0]=3 5286 B14R1.3101 CC=Cc1c(cccc1C(=O)OC)C 271570a_100016259895_100012002529 [0,2,0,0,0,0|1,0,0]=3 5287 B14R1.3101 CC=Cc1c(cccc1C(=O)OC)F 271570a_100016259895_100012357630 [0,2,0,0,0,0|1,0,0]=3 5288 B14R1.3101 CC=Cc1c(cccc1C(=O)OC)N 271570a_100016259895_100000719424 [0,2,0,0,0,0|1,0,0]=3 5289 B14R1.3101 CC=Cc1c(cccc1C(=O)OC)O 271570a_100016259895_200010230364 [0,2,0,0,0,0|1,0,0]=3 5290 B14R1.3101 CCNc1c(cccc1C(=O)NC)C 34a_100000223168_100000210202 [0,2,0,0,0,0|2,0,0]=4 5291 B14R1.3101 CCNc1c(cccc1C(=O)NC)Cl 34a_200012181065_100000210202 [0,2,0,0,0,0|2,0,0]=4 5292 B14R1.3101 CCOc1c(cccc1C(=O)NN)C 34a_100000193353_100000210202 [0,2,0,0,0,0|2,0,0]=4 5293 B14R1.3101 CCOc1c(cccc1C(=O)OC)Br 34a_100009816214_100000210202 [0,2,0,0,0,0|0,0,0]=2 5294 B14R1.3101 CCOc1c(cccc1C(=O)OC)C 34a_100000149854_100000210202 [0,2,0,0,0,0|0,0,0]=2 5295 B14R1.3101 CCOc1c(cccc1C(=O)OC)C 7a_100000149854_100000210202 [0,2,0,0,0,0|0,0,0]=2 5296 B14R1.3101 CCOc1c(cccc1C(=O)OC)Cl 34a_100000074923_100000210202 [0,2,0,0,0,0|0,0,0]=2 5297 B14R1.3101 CCOc1c(cccc1C(=O)OC)Cl 7a_100000074923_100000210202 [0,2,0,0,0,0|0,0,0]=2 5298 B14R1.3101 CCOc1c(cccc1C(=O)OC)F 34a_100000082593_100000210202 [0,2,0,0,0,0|0,0,0]=2 5299 B14R1.3101 CCOc1c(cccc1C(=O)OC)F 7a_100000082593_100000210202 [0,2,0,0,0,0|0,0,0]=2 5300 B14R1.3101 CCOc1c(cccc1C(=O)OC)N 34a_100000750886_100000210202 [0,2,0,0,0,0|0,0,0]=2 5301 B14R1.3101 CCSc1c(cccc1C(=O)OC)Br 62a_100000210202_100010150843 [0,2,0,0,0,0|0,1,0]=3 5302 B14R1.3101 CCSc1c(cccc1C(=O)OC)Br 62a_100010150843_100000210202 [0,2,0,0,0,0|0,1,0]=3 5303 B14R1.3101 CCSc1c(cccc1C(=O)OC)C 62a_100000210202_100012002529 [0,2,0,0,0,0|0,1,0]=3 5304 B14R1.3101 CCSc1c(cccc1C(=O)OC)C 62a_100012002529_100000210202 [0,2,0,0,0,0|0,1,0]=3 5305 B14R1.3101 CCSc1c(cccc1C(=O)OC)F 62a_100000210202_100012357630 [0,2,0,0,0,0|0,1,0]=3 5306 B14R1.3101 CCSc1c(cccc1C(=O)OC)F 62a_100012357630_100000210202 [0,2,0,0,0,0|0,1,0]=3 5307 B14R1.3101 CCSc1c(cccc1C(=O)OC)N 62a_100000719424_100000210202 [0,2,0,0,0,0|0,1,0]=3 5308 B14R1.3101 CCSc1c(cccc1C(=O)OC)O 62a_100000210202_200010230364 [0,2,0,0,0,0|0,1,0]=3 5309 B14R1.3101 CCSc1c(cccc1C(=O)OC)O 62a_200010230364_100000210202 [0,2,0,0,0,0|0,1,0]=3 5310 B14R1.3101 CNC(=O)c1cccc(c1NCF)C 34a_100000223168_100015361967 [0,2,0,0,0,0|2,0,0]=4 5311 B14R1.3101 CNC(=O)c1cccc(c1NCF)Cl 34a_200012181065_100015361967 [0,2,0,0,0,0|2,0,0]=4 5312 B14R1.3101 CNCc1c(cccc1C(=O)OC)Br 2230a_106832991635_100012352084 [0,2,0,0,0,0|1,0,0]=3 5313 B14R1.3101 CNCc1c(cccc1C(=O)OC)Br 26a_100102657272_100009816214 [0,2,0,0,0,0|1,0,0]=3 5314 B14R1.3101 CNCc1c(cccc1C(=O)OC)Br 34a_100102657272_100012352084 [0,2,0,0,0,0|1,0,0]=3 5315 B14R1.3101 CNCc1c(cccc1C(=O)OC)Br 7a_106832991635_100012352084 [0,2,0,0,0,0|1,0,0]=3 5316 B14R1.3101 CNCc1c(cccc1C(=O)OC)Cl 2230a_106832991635_100000725332 [0,2,0,0,0,0|1,0,0]=3 5317 B14R1.3101 CNCc1c(cccc1C(=O)OC)Cl 34a_100102657272_100000725332 [0,2,0,0,0,0|1,0,0]=3 5318 B14R1.3101 CNCc1c(cccc1C(=O)OC)Cl 7a_106832991635_100000725332 [0,2,0,0,0,0|1,0,0]=3 5319 B14R1.3101 CNCc1c(cccc1C(=O)OC)F 2230a_106832991635_100010239718 [0,2,0,0,0,0|1,0,0]=3 5320 B14R1.3101 CNCc1c(cccc1C(=O)OC)F 34a_100102657272_100010239718 [0,2,0,0,0,0|1,0,0]=3 5321 B14R1.3101 CNCc1c(cccc1C(=O)OC)F 7a_106832991635_100010239718 [0,2,0,0,0,0|1,0,0]=3 5322 B14R1.3101 CNCc1c(cccc1C(=O)OC)I 2230a_106832991635_100011003723 [0,2,0,0,0,0|1,0,0]=3 5323 B14R1.3101 CNCc1c(cccc1C(=O)OC)I 34a_100102657272_100011003723 [0,2,0,0,0,0|1,0,0]=3 5324 B14R1.3101 CNCc1c(cccc1C(=O)OC)I 7a_106832991635_100011003723 [0,2,0,0,0,0|1,0,0]=3 5325 B14R1.3101 COC(=O)c1cccc(c1CSC)Br 62a_100012352084_200000210301 [0,2,0,0,0,0|0,1,0]=3 5326 B14R1.3101 COC(=O)c1cccc(c1CSC)Cl 62a_100000725332_200000210301 [0,2,0,0,0,0|0,1,0]=3 5327 B14R1.3101 COC(=O)c1cccc(c1CSC)F 62a_100010239718_200000210301 [0,2,0,0,0,0|0,1,0]=3 5328 B14R1.3101 COC(=O)c1cccc(c1CSC)F 62a_200000210301_100010239718 [0,2,0,0,0,0|0,1,0]=3 5329 B14R1.3101 COC(=O)c1cccc(c1CSC)I 62a_100011003723_200000210301 [0,2,0,0,0,0|0,1,0]=3 5330 B14R1.3101 COC(=O)c1cccc(c1CSC)I 62a_200000210301_100011003723 [0,2,0,0,0,0|0,1,0]=3 5331 B14R1.3101 COC(=O)c1cccc(c1CS[13CH3])Br 62a_100012352084_200025704644 [0,2,0,0,0,0|0,1,0]=3 5332 B14R1.3101 COC(=O)c1cccc(c1CS[13CH3])Cl 62a_100000725332_200025704644 [0,2,0,0,0,0|0,1,0]=3 5333 B14R1.3101 COC(=O)c1cccc(c1CS[13CH3])F 62a_100010239718_200025704644 [0,2,0,0,0,0|0,1,0]=3 5334 B14R1.3101 COC(=O)c1cccc(c1CS[13CH3])F 62a_200025704644_100010239718 [0,2,0,0,0,0|0,1,0]=3 5335 B14R1.3101 COC(=O)c1cccc(c1CS[13CH3])I 62a_100011003723_200025704644 [0,2,0,0,0,0|0,1,0]=3 5336 B14R1.3101 COC(=O)c1cccc(c1CS[13CH3])I 62a_200025704644_100011003723 [0,2,0,0,0,0|0,1,0]=3 5337 B14R1.3101 COC(=O)c1cccc(c1OCF)Br 34a_100009816214_100015361967 [0,2,0,0,0,0|0,0,0]=2 5338 B14R1.3101 COC(=O)c1cccc(c1OCF)C 34a_100000149854_100015361967 [0,2,0,0,0,0|0,0,0]=2 5339 B14R1.3101 COC(=O)c1cccc(c1OCF)C 7a_100000149854_100015361967 [0,2,0,0,0,0|0,0,0]=2 5340 B14R1.3101 COC(=O)c1cccc(c1OCF)Cl 34a_100000074923_100015361967 [0,2,0,0,0,0|0,0,0]=2 5341 B14R1.3101 COC(=O)c1cccc(c1OCF)Cl 7a_100000074923_100015361967 [0,2,0,0,0,0|0,0,0]=2 5342 B14R1.3101 COC(=O)c1cccc(c1OCF)F 34a_100000082593_100015361967 [0,2,0,0,0,0|0,0,0]=2 5343 B14R1.3101 COC(=O)c1cccc(c1OCF)F 7a_100000082593_100015361967 [0,2,0,0,0,0|0,0,0]=2 5344 B14R1.3101 COC(=O)c1cccc(c1OCF)N 34a_100000750886_100015361967 [0,2,0,0,0,0|0,0,0]=2 5345 B14R1.3101 COC(=O)c1cccc(c1SCF)Br 62a_100010150843_100015361967 [0,2,0,0,0,0|0,1,0]=3 5346 B14R1.3101 COC(=O)c1cccc(c1SCF)Br 62a_100015361967_100010150843 [0,2,0,0,0,0|0,1,0]=3 5347 B14R1.3101 COC(=O)c1cccc(c1SCF)C 62a_100012002529_100015361967 [0,2,0,0,0,0|0,1,0]=3 5348 B14R1.3101 COC(=O)c1cccc(c1SCF)C 62a_100015361967_100012002529 [0,2,0,0,0,0|0,1,0]=3 5349 B14R1.3101 COC(=O)c1cccc(c1SCF)F 62a_100012357630_100015361967 [0,2,0,0,0,0|0,1,0]=3 5350 B14R1.3101 COC(=O)c1cccc(c1SCF)F 62a_100015361967_100012357630 [0,2,0,0,0,0|0,1,0]=3 5351 B14R1.3101 COC(=O)c1cccc(c1SCF)N 62a_100000719424_100015361967 [0,2,0,0,0,0|0,1,0]=3 5352 B14R1.3101 COC(=O)c1cccc(c1SCF)O 62a_100015361967_200010230364 [0,2,0,0,0,0|0,1,0]=3 5353 B14R1.3101 COC(=O)c1cccc(c1SCF)O 62a_200010230364_100015361967 [0,2,0,0,0,0|0,1,0]=3 5354 B14R1.3101 COCc1c(cccc1C(=O)OC)Br 34a_100138415774_100012352084 [0,2,0,0,0,0|0,0,0]=2 5355 B14R1.3101 COCc1c(cccc1C(=O)OC)Cl 34a_100138415774_100000725332 [0,2,0,0,0,0|0,0,0]=2 5356 B14R1.3101 COCc1c(cccc1C(=O)OC)F 34a_100138415774_100010239718 [0,2,0,0,0,0|0,0,0]=2 5357 B14R1.3101 COCc1c(cccc1C(=O)OC)I 34a_100138415774_100011003723 [0,2,0,0,0,0|0,0,0]=2 5358 B14R1.3101 Cc1cccc(c1OCF)C(=O)NN 34a_100000193353_100015361967 [0,2,0,0,0,0|2,0,0]=4 5359 B14R1.4100 C=Cc1c(ccc(c1C(=O)OC)F)F 271570a_100011290941_100011071027 [0,2,0,0,0,0|1,0,1]=4 5360 B14R1.4100 CCC(=O)c1c(ccc(c1OC)Cl)Cl 1458a_100000033403_100000210202 [0,2,0,0,0,0|1,0,0]=3 5361 B14R1.4100 CCC(=O)c1c(ccc(c1OC)F)F 1458a_100000686818_100000210202 [0,2,0,0,0,0|1,0,0]=3 5362 B14R1.4100 CNC(=O)c1c(ccc(c1OC)Cl)Cl 11a_106832991635_100000033403 [0,2,0,0,0,0|1,0,0]=3 5363 B14R1.4100 CNC(=O)c1c(ccc(c1OC)Cl)Cl 1626a_100102657272_100000033403 [0,2,0,0,0,0|1,0,0]=3 5364 B14R1.4100 CNC(=O)c1c(ccc(c1OC)Cl)Cl 240690a_100102657272_100000033403 [0,2,0,0,0,0|1,0,0]=3 5365 B14R1.4100 CNC(=O)c1c(ccc(c1OC)Cl)Cl 527a_100102657272_100000033403 [0,2,0,0,0,0|1,0,0]=3 5366 B14R1.4100 CNC(=O)c1c(ccc(c1OC)F)F 11a_106832991635_100000686818 [0,2,0,0,0,0|1,0,0]=3 5367 B14R1.4100 CNC(=O)c1c(ccc(c1OC)F)F 1626a_100102657272_100000686818 [0,2,0,0,0,0|1,0,0]=3 5368 B14R1.4100 CNC(=O)c1c(ccc(c1OC)F)F 240690a_100102657272_100000686818 [0,2,0,0,0,0|1,0,0]=3 5369 B14R1.4100 CNC(=O)c1c(ccc(c1OC)F)F 527a_100102657272_100000686818 [0,2,0,0,0,0|1,0,0]=3 5370 B14R1.4100 COC(=O)c1c(ccc(c1OC)F)F 34a_200000099169_200000210301 [0,2,0,0,0,0|0,0,0]=2 5371 B14R1.4100 COC(=O)c1c(ccc(c1OC)F)F 7a_200000099169_200000210301 [0,2,0,0,0,0|0,0,0]=2 5372 B14R1.4100 COC(=O)c1c(ccc(c1O[13CH3])F)F 34a_200000099169_200025704644 [0,2,0,0,0,0|0,0,0]=2 5373 B14R1.4100 COC(=O)c1c(ccc(c1O[13CH3])F)F 7a_200000099169_200025704644 [0,2,0,0,0,0|0,0,0]=2 5374 B14R1.4100 COC(=O)c1c(ccc(c1SC)F)F 62a_100011071027_200000210301 [0,2,0,0,0,0|0,1,0]=3 5375 B14R1.4100 COC(=O)c1c(ccc(c1SC)F)F 62a_200000210301_100011071027 [0,2,0,0,0,0|0,1,0]=3 5376 B14R1.4100 COC(=O)c1c(ccc(c1S[13CH3])F)F 62a_100011071027_200025704644 [0,2,0,0,0,0|0,1,0]=3 5377 B14R1.4100 COC(=O)c1c(ccc(c1S[13CH3])F)F 62a_200025704644_100011071027 [0,2,0,0,0,0|0,1,0]=3 5378 B14R1.4100 COc1c(ccc(c1C(=O)CF)Cl)Cl 1458a_100000033403_100015361967 [0,2,0,0,0,0|2,0,0]=4 5379 B14R1.4100 COc1c(ccc(c1C(=O)CF)F)F 1458a_100000686818_100015361967 [0,2,0,0,0,0|2,0,0]=4 5380 B14R1.7255 C#CCC(=O)c1cccc(c1OC)Br 1458a_100000689802_100000184674 [0,2,0,0,0,0|1,0,1]=4 5381 B14R1.7255 C#CCC(=O)c1cccc(c1OC)C 1458a_100000187929_100000184674 [0,2,0,0,0,0|1,0,1]=4 5382 B14R1.7255 C#CCC(=O)c1cccc(c1OC)Cl 1458a_100011934004_100000184674 [0,2,0,0,0,0|1,0,1]=4 5383 B14R1.7255 C#CCC(=O)c1cccc(c1OC)F 1458a_100011218433_100000184674 [0,2,0,0,0,0|1,0,1]=4 5384 B14R1.7255 C#CCC(=O)c1cccc(c1OC)O 1458a_100000080799_100000184674 [0,2,0,0,0,0|1,0,1]=4 5385 B14R1.7255 C=CCC(=O)c1cccc(c1OC)Br 1458a_100000689802_100000210623 [0,2,0,0,0,0|1,0,1]=4 5386 B14R1.7255 C=CCC(=O)c1cccc(c1OC)C 1458a_100000187929_100000210623 [0,2,0,0,0,0|1,0,1]=4 5387 B14R1.7255 C=CCC(=O)c1cccc(c1OC)Cl 1458a_100011934004_100000210623 [0,2,0,0,0,0|1,0,1]=4 5388 B14R1.7255 C=CCC(=O)c1cccc(c1OC)F 1458a_100011218433_100000210623 [0,2,0,0,0,0|1,0,1]=4 5389 B14R1.7255 C=CCC(=O)c1cccc(c1OC)O 1458a_100000080799_100000210623 [0,2,0,0,0,0|1,0,1]=4 5390 B14R1.7255 C=Cc1c(cccc1C(=O)OCC)C 271570a_100011290941_200012184857 [0,2,0,0,0,0|1,0,1]=4 5391 B14R1.7255 C=Cc1c(cccc1C(=O)OCC)F 271570a_100011290941_100012357632 [0,2,0,0,0,0|1,0,1]=4 5392 B14R1.7255 CCCC(=O)c1cccc(c1CC)Br 1458a_100010125490_100000210303 [0,2,0,0,0,0|2,0,0]=4 5393 B14R1.7255 CCCC(=O)c1cccc(c1OC)Br 1458a_100000689802_100000210303 [0,2,0,0,0,0|1,0,0]=3 5394 B14R1.7255 CCCC(=O)c1cccc(c1OC)C 1458a_100000187929_100000210303 [0,2,0,0,0,0|1,0,0]=3 5395 B14R1.7255 CCCC(=O)c1cccc(c1OC)Cl 1458a_100011934004_100000210303 [0,2,0,0,0,0|1,0,0]=3 5396 B14R1.7255 CCCC(=O)c1cccc(c1OC)F 1458a_100011218433_100000210303 [0,2,0,0,0,0|1,0,0]=3 5397 B14R1.7255 CCCC(=O)c1cccc(c1OC)O 1458a_100000080799_100000210303 [0,2,0,0,0,0|1,0,0]=3 5398 B14R1.7255 CCNC(=O)c1cccc(c1CC)Br 11a_100015525214_100010125490 [0,2,0,0,0,0|2,0,0]=4 5399 B14R1.7255 CCNC(=O)c1cccc(c1CC)Br 240690a_100015525214_100010125490 [0,2,0,0,0,0|2,0,0]=4 5400 B14R1.7255 CCNC(=O)c1cccc(c1CC)Br 527a_100015525214_100010125490 [0,2,0,0,0,0|2,0,0]=4 5401 B14R1.7255 CCNC(=O)c1cccc(c1OC)Br 11a_100015525214_100000689802 [0,2,0,0,0,0|1,0,0]=3 5402 B14R1.7255 CCNC(=O)c1cccc(c1OC)Br 240690a_100015525214_100000689802 [0,2,0,0,0,0|1,0,0]=3 5403 B14R1.7255 CCNC(=O)c1cccc(c1OC)Br 527a_100015525214_100000689802 [0,2,0,0,0,0|1,0,0]=3 5404 B14R1.7255 CCNC(=O)c1cccc(c1OC)C 11a_100015525214_100000187929 [0,2,0,0,0,0|1,0,0]=3 5405 B14R1.7255 CCNC(=O)c1cccc(c1OC)C 240690a_100015525214_100000187929 [0,2,0,0,0,0|1,0,0]=3 5406 B14R1.7255 CCNC(=O)c1cccc(c1OC)C 527a_100015525214_100000187929 [0,2,0,0,0,0|1,0,0]=3 5407 B14R1.7255 CCNC(=O)c1cccc(c1OC)Cl 11a_100015525214_100011934004 [0,2,0,0,0,0|1,0,0]=3 5408 B14R1.7255 CCNC(=O)c1cccc(c1OC)Cl 240690a_100015525214_100011934004 [0,2,0,0,0,0|1,0,0]=3 5409 B14R1.7255 CCNC(=O)c1cccc(c1OC)Cl 527a_100015525214_100011934004 [0,2,0,0,0,0|1,0,0]=3 5410 B14R1.7255 CCNC(=O)c1cccc(c1OC)F 11a_100015525214_100011218433 [0,2,0,0,0,0|1,0,0]=3 5411 B14R1.7255 CCNC(=O)c1cccc(c1OC)F 240690a_100015525214_100011218433 [0,2,0,0,0,0|1,0,0]=3 5412 B14R1.7255 CCNC(=O)c1cccc(c1OC)F 527a_100015525214_100011218433 [0,2,0,0,0,0|1,0,0]=3 5413 B14R1.7255 CCOC(=O)c1cccc(c1SC)C 62a_200000210301_200012353711 [0,2,0,0,0,0|0,1,0]=3 5414 B14R1.7255 CCOC(=O)c1cccc(c1SC)C 62a_200012353711_200000210301 [0,2,0,0,0,0|0,1,0]=3 5415 B14R1.7255 CCOC(=O)c1cccc(c1SC)F 62a_100012357632_200000210301 [0,2,0,0,0,0|0,1,0]=3 5416 B14R1.7255 CCOC(=O)c1cccc(c1SC)F 62a_200000210301_100012357632 [0,2,0,0,0,0|0,1,0]=3 5417 B14R1.7255 CCOC(=O)c1cccc(c1S[13CH3])C 62a_200012353711_200025704644 [0,2,0,0,0,0|0,1,0]=3 5418 B14R1.7255 CCOC(=O)c1cccc(c1S[13CH3])C 62a_200025704644_200012353711 [0,2,0,0,0,0|0,1,0]=3 5419 B14R1.7255 CCOC(=O)c1cccc(c1S[13CH3])F 62a_100012357632_200025704644 [0,2,0,0,0,0|0,1,0]=3 5420 B14R1.7255 CCOC(=O)c1cccc(c1S[13CH3])F 62a_200025704644_100012357632 [0,2,0,0,0,0|0,1,0]=3 5421 B14R1.7255 CCc1c(cccc1C(=O)CCF)Br 1458a_100010125490_100011217306 [0,2,0,0,0,0|2,0,0]=4 5422 B14R1.7255 CCc1c(cccc1C(=O)CCO)Br 1458a_100010125490_100000211926 [0,2,0,0,0,0|2,0,0]=4 5423 B14R1.7255 CCc1c(cccc1C(=O)NNC)Br 22a_100016993582_100010125490 [0,2,0,0,0,0|2,0,0]=4 5424 B14R1.7255 CNNC(=O)c1cccc(c1OC)Br 22a_100016993582_100000689802 [0,2,0,0,0,0|1,0,0]=3 5425 B14R1.7255 CNNC(=O)c1cccc(c1OC)C 22a_100016993582_100000187929 [0,2,0,0,0,0|1,0,0]=3 5426 B14R1.7255 CNNC(=O)c1cccc(c1OC)Cl 22a_100016993582_100011934004 [0,2,0,0,0,0|1,0,0]=3 5427 B14R1.7255 CNNC(=O)c1cccc(c1OC)F 22a_100016993582_100011218433 [0,2,0,0,0,0|1,0,0]=3 5428 B14R1.7255 CNNC(=O)c1cccc(c1OC)O 22a_100016993582_100000080799 [0,2,0,0,0,0|1,0,0]=3 5429 B14R1.7255 COc1c(cccc1C(=O)CC#N)Br 1458a_100000689802_100011214920 [0,2,0,0,0,0|1,0,1]=4 5430 B14R1.7255 COc1c(cccc1C(=O)CC#N)C 1458a_100000187929_100011214920 [0,2,0,0,0,0|1,0,1]=4 5431 B14R1.7255 COc1c(cccc1C(=O)CC#N)Cl 1458a_100011934004_100011214920 [0,2,0,0,0,0|1,0,1]=4 5432 B14R1.7255 COc1c(cccc1C(=O)CC#N)F 1458a_100011218433_100011214920 [0,2,0,0,0,0|1,0,1]=4 5433 B14R1.7255 COc1c(cccc1C(=O)CC#N)O 1458a_100000080799_100011214920 [0,2,0,0,0,0|1,0,1]=4 5434 B14R1.7255 COc1c(cccc1C(=O)CCF)Br 1458a_100000689802_100011217306 [0,2,0,0,0,0|1,0,0]=3 5435 B14R1.7255 COc1c(cccc1C(=O)CCF)C 1458a_100000187929_100011217306 [0,2,0,0,0,0|1,0,0]=3 5436 B14R1.7255 COc1c(cccc1C(=O)CCF)Cl 1458a_100011934004_100011217306 [0,2,0,0,0,0|1,0,0]=3 5437 B14R1.7255 COc1c(cccc1C(=O)CCF)F 1458a_100011218433_100011217306 [0,2,0,0,0,0|1,0,0]=3 5438 B14R1.7255 COc1c(cccc1C(=O)CCF)O 1458a_100000080799_100011217306 [0,2,0,0,0,0|1,0,0]=3 5439 B14R1.7255 COc1c(cccc1C(=O)CCO)Br 1458a_100000689802_100000211926 [0,2,0,0,0,0|1,0,0]=3 5440 B14R1.7255 COc1c(cccc1C(=O)CCO)C 1458a_100000187929_100000211926 [0,2,0,0,0,0|1,0,0]=3 5441 B14R1.7255 COc1c(cccc1C(=O)CCO)Cl 1458a_100011934004_100000211926 [0,2,0,0,0,0|1,0,0]=3 5442 B14R1.7255 COc1c(cccc1C(=O)CCO)F 1458a_100011218433_100000211926 [0,2,0,0,0,0|1,0,0]=3 5443 B14R1.7255 COc1c(cccc1C(=O)CCO)O 1458a_100000080799_100000211926 [0,2,0,0,0,0|1,0,0]=3 5444 B14R1.12435 C=Cc1c(ccc(c1F)F)C(=O)OC 271570a_100011290941_100010710315 [0,2,0,0,0,0|1,0,1]=4 5445 B14R1.12435 CCC(=O)c1ccc(c(c1OC)Cl)Cl 1458a_100010981877_100000210202 [0,2,0,0,0,0|1,0,0]=3 5446 B14R1.12435 CCC(=O)c1ccc(c(c1OC)F)F 1458a_100000061878_100000210202 [0,2,0,0,0,0|1,0,0]=3 5447 B14R1.12435 CNC(=O)c1ccc(c(c1OC)Cl)Cl 11a_106832991635_100010981877 [0,2,0,0,0,0|1,0,0]=3 5448 B14R1.12435 CNC(=O)c1ccc(c(c1OC)Cl)Cl 1626a_100102657272_100010981877 [0,2,0,0,0,0|1,0,0]=3 5449 B14R1.12435 CNC(=O)c1ccc(c(c1OC)Cl)Cl 240690a_100102657272_100010981877 [0,2,0,0,0,0|1,0,0]=3 5450 B14R1.12435 CNC(=O)c1ccc(c(c1OC)Cl)Cl 527a_100102657272_100010981877 [0,2,0,0,0,0|1,0,0]=3 5451 B14R1.12435 CNC(=O)c1ccc(c(c1OC)F)F 11a_106832991635_100000061878 [0,2,0,0,0,0|1,0,0]=3 5452 B14R1.12435 CNC(=O)c1ccc(c(c1OC)F)F 1626a_100102657272_100000061878 [0,2,0,0,0,0|1,0,0]=3 5453 B14R1.12435 CNC(=O)c1ccc(c(c1OC)F)F 240690a_100102657272_100000061878 [0,2,0,0,0,0|1,0,0]=3 5454 B14R1.12435 CNC(=O)c1ccc(c(c1OC)F)F 527a_100102657272_100000061878 [0,2,0,0,0,0|1,0,0]=3 5455 B14R1.12435 COC(=O)c1ccc(c(c1OC)F)Br 34a_100011092008_200000210301 [0,2,0,0,0,0|0,0,0]=2 5456 B14R1.12435 COC(=O)c1ccc(c(c1OC)F)Br 7a_100011092008_200000210301 [0,2,0,0,0,0|0,0,0]=2 5457 B14R1.12435 COC(=O)c1ccc(c(c1O[13CH3])F)Br 34a_100011092008_200025704644 [0,2,0,0,0,0|0,0,0]=2 5458 B14R1.12435 COC(=O)c1ccc(c(c1O[13CH3])F)Br 7a_100011092008_200025704644 [0,2,0,0,0,0|0,0,0]=2 5459 B14R1.12435 COC(=O)c1ccc(c(c1SC)F)F 62a_100010710315_200000210301 [0,2,0,0,0,0|0,1,0]=3 5460 B14R1.12435 COC(=O)c1ccc(c(c1SC)F)F 62a_200000210301_100010710315 [0,2,0,0,0,0|0,1,0]=3 5461 B14R1.12435 COC(=O)c1ccc(c(c1S[13CH3])F)F 62a_100010710315_200025704644 [0,2,0,0,0,0|0,1,0]=3 5462 B14R1.12435 COC(=O)c1ccc(c(c1S[13CH3])F)F 62a_200025704644_100010710315 [0,2,0,0,0,0|0,1,0]=3 5463 B14R1.12435 COc1c(ccc(c1Cl)Cl)C(=O)CF 1458a_100010981877_100015361967 [0,2,0,0,0,0|2,0,0]=4 5464 B14R1.12435 COc1c(ccc(c1F)F)C(=O)CF 1458a_100000061878_100015361967 [0,2,0,0,0,0|2,0,0]=4 5465 B14R1.12530 C=Cc1c(cc(cc1C(=O)OC)F)C 271570a_100011290941_100016049047 [0,2,0,0,0,0|1,0,1]=4 5466 B14R1.12530 C=Cc1c(cc(cc1C(=O)OC)F)F 271570a_100011290941_100010155431 [0,2,0,0,0,0|1,0,1]=4 5467 B14R1.12530 C=Cc1c(cc(cc1C(=O)OC)F)N 271570a_100011290941_100011794234 [0,2,0,0,0,0|1,0,1]=4 5468 B14R1.12530 CCC(=O)c1cc(cc(c1OC)Br)Br 1458a_100000188141_100000210202 [0,2,0,0,0,0|1,0,0]=3 5469 B14R1.12530 CCC(=O)c1cc(cc(c1OC)Cl)Cl 1458a_100000186506_100000210202 [0,2,0,0,0,0|1,0,0]=3 5470 B14R1.12530 CCC(=O)c1cc(cc(c1OC)F)F 1458a_100000062013_100000210202 [0,2,0,0,0,0|1,0,0]=3 5471 B14R1.12530 CNC(=O)c1cc(cc(c1NC)C)Br 34a_100010284104_200000210301 [0,2,0,0,0,0|2,0,0]=4 5472 B14R1.12530 CNC(=O)c1cc(cc(c1NC)C)Br 7a_100010284104_200000210301 [0,2,0,0,0,0|2,0,0]=4 5473 B14R1.12530 CNC(=O)c1cc(cc(c1NC)C)Cl 34a_100009875010_200000210301 [0,2,0,0,0,0|2,0,0]=4 5474 B14R1.12530 CNC(=O)c1cc(cc(c1NC)C)Cl 7a_100009875010_200000210301 [0,2,0,0,0,0|2,0,0]=4 5475 B14R1.12530 CNC(=O)c1cc(cc(c1N[13CH3])C)Br 34a_100010284104_200025704644 [0,2,0,0,0,0|2,0,0]=4 5476 B14R1.12530 CNC(=O)c1cc(cc(c1N[13CH3])C)Br 7a_100010284104_200025704644 [0,2,0,0,0,0|2,0,0]=4 5477 B14R1.12530 CNC(=O)c1cc(cc(c1N[13CH3])C)Cl 34a_100009875010_200025704644 [0,2,0,0,0,0|2,0,0]=4 5478 B14R1.12530 CNC(=O)c1cc(cc(c1N[13CH3])C)Cl 7a_100009875010_200025704644 [0,2,0,0,0,0|2,0,0]=4 5479 B14R1.12530 CNC(=O)c1cc(cc(c1OC)Br)Br 11a_106832991635_100000188141 [0,2,0,0,0,0|1,0,0]=3 5480 B14R1.12530 CNC(=O)c1cc(cc(c1OC)Br)Br 1626a_100102657272_100000188141 [0,2,0,0,0,0|1,0,0]=3 5481 B14R1.12530 CNC(=O)c1cc(cc(c1OC)Br)Br 240690a_100102657272_100000188141 [0,2,0,0,0,0|1,0,0]=3 5482 B14R1.12530 CNC(=O)c1cc(cc(c1OC)Br)Br 527a_100102657272_100000188141 [0,2,0,0,0,0|1,0,0]=3 5483 B14R1.12530 CNC(=O)c1cc(cc(c1OC)Cl)Cl 11a_106832991635_100000186506 [0,2,0,0,0,0|1,0,0]=3 5484 B14R1.12530 CNC(=O)c1cc(cc(c1OC)Cl)Cl 1626a_100102657272_100000186506 [0,2,0,0,0,0|1,0,0]=3 5485 B14R1.12530 CNC(=O)c1cc(cc(c1OC)Cl)Cl 240690a_100102657272_100000186506 [0,2,0,0,0,0|1,0,0]=3 5486 B14R1.12530 CNC(=O)c1cc(cc(c1OC)Cl)Cl 527a_100102657272_100000186506 [0,2,0,0,0,0|1,0,0]=3 5487 B14R1.12530 CNC(=O)c1cc(cc(c1OC)F)F 11a_106832991635_100000062013 [0,2,0,0,0,0|1,0,0]=3 5488 B14R1.12530 CNC(=O)c1cc(cc(c1OC)F)F 1626a_100102657272_100000062013 [0,2,0,0,0,0|1,0,0]=3 5489 B14R1.12530 CNC(=O)c1cc(cc(c1OC)F)F 240690a_100102657272_100000062013 [0,2,0,0,0,0|1,0,0]=3 5490 B14R1.12530 CNC(=O)c1cc(cc(c1OC)F)F 527a_100102657272_100000062013 [0,2,0,0,0,0|1,0,0]=3 5491 B14R1.12530 COC(=O)c1cc(cc(c1OC)Br)Br 34a_200009812281_200000210301 [0,2,0,0,0,0|0,0,0]=2 5492 B14R1.12530 COC(=O)c1cc(cc(c1OC)Br)Br 7a_200009812281_200000210301 [0,2,0,0,0,0|0,0,0]=2 5493 B14R1.12530 COC(=O)c1cc(cc(c1OC)Br)Cl 34a_100010164249_200000210301 [0,2,0,0,0,0|0,0,0]=2 5494 B14R1.12530 COC(=O)c1cc(cc(c1OC)Br)Cl 7a_100010164249_200000210301 [0,2,0,0,0,0|0,0,0]=2 5495 B14R1.12530 COC(=O)c1cc(cc(c1OC)C)O 271570a_203496583355_100010171057 [0,2,0,0,0,0|0,0,0]=2 5496 B14R1.12530 COC(=O)c1cc(cc(c1OC)Cl)Cl 34a_100009996592_200000210301 [0,2,0,0,0,0|0,0,0]=2 5497 B14R1.12530 COC(=O)c1cc(cc(c1OC)Cl)Cl 7a_100009996592_200000210301 [0,2,0,0,0,0|0,0,0]=2 5498 B14R1.12530 COC(=O)c1cc(cc(c1OC)I)Br 7a_100009996593_200000210301 [0,2,0,0,0,0|0,0,0]=2 5499 B14R1.12530 COC(=O)c1cc(cc(c1OC)N)Br 34a_100009815751_200000210301 [0,2,0,0,0,0|0,0,0]=2 5500 B14R1.12530 COC(=O)c1cc(cc(c1OC)N)Cl 34a_100000060356_200000210301 [0,2,0,0,0,0|0,0,0]=2 5501 B14R1.12530 COC(=O)c1cc(cc(c1OC)N)F 34a_100010587532_200000210301 [0,2,0,0,0,0|0,0,0]=2 5502 B14R1.12530 COC(=O)c1cc(cc(c1OC)N)O 271570a_203496583355_100010184925 [0,2,0,0,0,0|0,0,0]=2 5503 B14R1.12530 COC(=O)c1cc(cc(c1O[13CH3])Br)Br 34a_200009812281_200025704644 [0,2,0,0,0,0|0,0,0]=2 5504 B14R1.12530 COC(=O)c1cc(cc(c1O[13CH3])Br)Br 7a_200009812281_200025704644 [0,2,0,0,0,0|0,0,0]=2 5505 B14R1.12530 COC(=O)c1cc(cc(c1O[13CH3])Br)Cl 34a_100010164249_200025704644 [0,2,0,0,0,0|0,0,0]=2 5506 B14R1.12530 COC(=O)c1cc(cc(c1O[13CH3])Br)Cl 7a_100010164249_200025704644 [0,2,0,0,0,0|0,0,0]=2 5507 B14R1.12530 COC(=O)c1cc(cc(c1O[13CH3])Cl)Cl 34a_100009996592_200025704644 [0,2,0,0,0,0|0,0,0]=2 5508 B14R1.12530 COC(=O)c1cc(cc(c1O[13CH3])Cl)Cl 7a_100009996592_200025704644 [0,2,0,0,0,0|0,0,0]=2 5509 B14R1.12530 COC(=O)c1cc(cc(c1O[13CH3])I)Br 7a_100009996593_200025704644 [0,2,0,0,0,0|0,0,0]=2 5510 B14R1.12530 COC(=O)c1cc(cc(c1O[13CH3])N)Br 34a_100009815751_200025704644 [0,2,0,0,0,0|0,0,0]=2 5511 B14R1.12530 COC(=O)c1cc(cc(c1O[13CH3])N)Cl 34a_100000060356_200025704644 [0,2,0,0,0,0|0,0,0]=2 5512 B14R1.12530 COC(=O)c1cc(cc(c1O[13CH3])N)F 34a_100010587532_200025704644 [0,2,0,0,0,0|0,0,0]=2 5513 B14R1.12530 COC(=O)c1cc(cc(c1SC)Br)Cl 62a_200000210301_200012920398 [0,2,0,0,0,0|0,1,0]=3 5514 B14R1.12530 COC(=O)c1cc(cc(c1SC)Br)Cl 62a_200012920398_200000210301 [0,2,0,0,0,0|0,1,0]=3 5515 B14R1.12530 COC(=O)c1cc(cc(c1SC)C)F 62a_100016049047_200000210301 [0,2,0,0,0,0|0,1,0]=3 5516 B14R1.12530 COC(=O)c1cc(cc(c1SC)C)F 62a_200000210301_100016049047 [0,2,0,0,0,0|0,1,0]=3 5517 B14R1.12530 COC(=O)c1cc(cc(c1SC)F)F 62a_100010155431_200000210301 [0,2,0,0,0,0|0,1,0]=3 5518 B14R1.12530 COC(=O)c1cc(cc(c1SC)F)F 62a_200000210301_100010155431 [0,2,0,0,0,0|0,1,0]=3 5519 B14R1.12530 COC(=O)c1cc(cc(c1SC)F)N 62a_100012936988_200000210301 [0,2,0,0,0,0|0,1,0]=3 5520 B14R1.12530 COC(=O)c1cc(cc(c1SC)F)N 62a_200000210301_100012936988 [0,2,0,0,0,0|0,1,0]=3 5521 B14R1.12530 COC(=O)c1cc(cc(c1SC)N)F 62a_100011794234_200000210301 [0,2,0,0,0,0|0,1,0]=3 5522 B14R1.12530 COC(=O)c1cc(cc(c1SC)N)F 62a_200000210301_100011794234 [0,2,0,0,0,0|0,1,0]=3 5523 B14R1.12530 COC(=O)c1cc(cc(c1S[13CH3])Br)Cl 62a_200012920398_200025704644 [0,2,0,0,0,0|0,1,0]=3 5524 B14R1.12530 COC(=O)c1cc(cc(c1S[13CH3])Br)Cl 62a_200025704644_200012920398 [0,2,0,0,0,0|0,1,0]=3 5525 B14R1.12530 COC(=O)c1cc(cc(c1S[13CH3])C)F 62a_100016049047_200025704644 [0,2,0,0,0,0|0,1,0]=3 5526 B14R1.12530 COC(=O)c1cc(cc(c1S[13CH3])C)F 62a_200025704644_100016049047 [0,2,0,0,0,0|0,1,0]=3 5527 B14R1.12530 COC(=O)c1cc(cc(c1S[13CH3])F)F 62a_100010155431_200025704644 [0,2,0,0,0,0|0,1,0]=3 5528 B14R1.12530 COC(=O)c1cc(cc(c1S[13CH3])F)F 62a_200025704644_100010155431 [0,2,0,0,0,0|0,1,0]=3 5529 B14R1.12530 COC(=O)c1cc(cc(c1S[13CH3])F)N 62a_100012936988_200025704644 [0,2,0,0,0,0|0,1,0]=3 5530 B14R1.12530 COC(=O)c1cc(cc(c1S[13CH3])F)N 62a_200025704644_100012936988 [0,2,0,0,0,0|0,1,0]=3 5531 B14R1.12530 COC(=O)c1cc(cc(c1S[13CH3])N)F 62a_100011794234_200025704644 [0,2,0,0,0,0|0,1,0]=3 5532 B14R1.12530 COC(=O)c1cc(cc(c1S[13CH3])N)F 62a_200025704644_100011794234 [0,2,0,0,0,0|0,1,0]=3 5533 B14R1.12530 COC(=O)c1cc(nc(c1SC)Cl)N 62a_102517114592_200000210301 [0,2,0,0,0,0|1,1,0]=4 5534 B14R1.12530 COC(=O)c1cc(nc(c1SC)Cl)N 62a_200000210301_102517114592 [0,2,0,0,0,0|1,1,0]=4 5535 B14R1.12530 COC(=O)c1cc(nc(c1S[13CH3])Cl)N 62a_102517114592_200025704644 [0,2,0,0,0,0|1,1,0]=4 5536 B14R1.12530 COC(=O)c1cc(nc(c1S[13CH3])Cl)N 62a_200025704644_102517114592 [0,2,0,0,0,0|1,1,0]=4 5537 B14R1.12530 COc1c(cc(cc1C(=O)CF)Br)Br 1458a_100000188141_100015361967 [0,2,0,0,0,0|2,0,0]=4 5538 B14R1.12530 COc1c(cc(cc1C(=O)CF)Cl)Cl 1458a_100000186506_100015361967 [0,2,0,0,0,0|2,0,0]=4 5539 B14R1.12530 COc1c(cc(cc1C(=O)CF)F)F 1458a_100000062013_100015361967 [0,2,0,0,0,0|2,0,0]=4 5540 B14R1.263 C#CCC(=O)c1ccccc1COC 1458a_100000737999_100000184674 [0,2,0,0,0,0|1,0,1]=4 5541 B14R1.263 C#CCC(=O)c1ccccc1OCC 1458a_100000211144_100000184674 [0,2,0,0,0,0|1,0,1]=4 5542 B14R1.263 C=C=Cc1ccccc1C(=O)OCC 271570a_100015277604_100000169879 [0,2,0,0,0,0|1,0,1]=4 5543 B14R1.263 C=CCC(=O)c1ccccc1COC 1458a_100000737999_100000210623 [0,2,0,0,0,0|1,0,1]=4 5544 B14R1.263 C=CCC(=O)c1ccccc1OCC 1458a_100000211144_100000210623 [0,2,0,0,0,0|1,0,1]=4 5545 B14R1.263 C=COC(=O)c1ccccc1SCC 62a_100000210202_200000036168 [0,2,0,0,0,0|0,1,1]=4 5546 B14R1.263 C=COC(=O)c1ccccc1SCC 62a_200000036168_100000210202 [0,2,0,0,0,0|0,1,1]=4 5547 B14R1.263 C=COC(=O)c1ccccc1SCF 62a_100015361967_200000036168 [0,2,0,0,0,0|0,1,1]=4 5548 B14R1.263 C=COC(=O)c1ccccc1SCF 62a_200000036168_100015361967 [0,2,0,0,0,0|0,1,1]=4 5549 B14R1.263 CC=Cc1ccccc1C(=O)NCC 271570a_100016259895_200000155173 [0,2,0,0,0,0|2,0,0]=4 5550 B14R1.263 CC=Cc1ccccc1C(=O)OCC 271570a_100016259895_100000169879 [0,2,0,0,0,0|1,0,0]=3 5551 B14R1.263 CC=Cc1cccnc1C(=O)OCC 271570a_100016259895_100012351660 [0,2,0,0,0,0|2,0,0]=4 5552 B14R1.263 CC=Cc1ccncc1C(=O)OCC 271570a_100016259895_100016987518 [0,2,0,0,0,0|2,0,0]=4 5553 B14R1.263 CC=Cc1cnccc1C(=O)OCC 271570a_100016259895_100010238393 [0,2,0,0,0,0|2,0,0]=4 5554 B14R1.263 CC=Cc1ncccc1C(=O)OCC 271570a_100016259895_100000170124 [0,2,0,0,0,0|2,0,0]=4 5555 B14R1.263 CCCC(=O)c1ccccc1COC 1458a_100000737999_100000210303 [0,2,0,0,0,0|1,0,0]=3 5556 B14R1.263 CCCC(=O)c1ccccc1OCC 1458a_100000211144_100000210303 [0,2,0,0,0,0|1,0,0]=3 5557 B14R1.263 CCCC(=O)c1ccccc1OCC 34a_200000073644_100000210202 [0,2,0,0,0,0|1,0,0]=3 5558 B14R1.263 CCCC(=O)c1ccccc1OCC 7a_200000073644_100000210202 [0,2,0,0,0,0|1,0,0]=3 5559 B14R1.263 CCCC(=O)c1ccccc1OCF 34a_200000073644_100015361967 [0,2,0,0,0,0|1,0,0]=3 5560 B14R1.263 CCCC(=O)c1ccccc1OCF 7a_200000073644_100015361967 [0,2,0,0,0,0|1,0,0]=3 5561 B14R1.263 CCCC(=O)c1ccccc1SCC 1458a_100000195471_100000210303 [0,2,0,0,0,0|1,1,0]=4 5562 B14R1.263 CCNC(=O)c1ccccc1COC 11a_100015525214_100000737999 [0,2,0,0,0,0|1,0,0]=3 5563 B14R1.263 CCNC(=O)c1ccccc1COC 240690a_100015525214_100000737999 [0,2,0,0,0,0|1,0,0]=3 5564 B14R1.263 CCNC(=O)c1ccccc1COC 527a_100015525214_100000737999 [0,2,0,0,0,0|1,0,0]=3 5565 B14R1.263 CCNC(=O)c1ccccc1NCC 27a_100015525214_200000155173 [0,2,0,0,0,0|2,0,0]=4 5566 B14R1.263 CCNC(=O)c1ccccc1NCC 34a_100000205978_100000210202 [0,2,0,0,0,0|2,0,0]=4 5567 B14R1.263 CCNC(=O)c1ccccc1NCF 34a_100000205978_100015361967 [0,2,0,0,0,0|2,0,0]=4 5568 B14R1.263 CCNC(=O)c1ccccc1OCC 11a_100015525214_100000211144 [0,2,0,0,0,0|1,0,0]=3 5569 B14R1.263 CCNC(=O)c1ccccc1OCC 240690a_100015525214_100000211144 [0,2,0,0,0,0|1,0,0]=3 5570 B14R1.263 CCNC(=O)c1ccccc1OCC 34a_100000192205_100000210202 [0,2,0,0,0,0|1,0,0]=3 5571 B14R1.263 CCNC(=O)c1ccccc1OCC 527a_100015525214_100000211144 [0,2,0,0,0,0|1,0,0]=3 5572 B14R1.263 CCNC(=O)c1ccccc1OCC 7a_100000192205_100000210202 [0,2,0,0,0,0|1,0,0]=3 5573 B14R1.263 CCNC(=O)c1ccccc1OCF 34a_100000192205_100015361967 [0,2,0,0,0,0|1,0,0]=3 5574 B14R1.263 CCNC(=O)c1ccccc1OCF 7a_100000192205_100015361967 [0,2,0,0,0,0|1,0,0]=3 5575 B14R1.263 CCNC(=O)c1ccccc1SCC 11a_100015525214_100000195471 [0,2,0,0,0,0|1,1,0]=4 5576 B14R1.263 CCNC(=O)c1ccccc1SCC 240690a_100015525214_100000195471 [0,2,0,0,0,0|1,1,0]=4 5577 B14R1.263 CCNC(=O)c1ccccc1SCC 527a_100015525214_100000195471 [0,2,0,0,0,0|1,1,0]=4 5578 B14R1.263 CCNC(=O)c1ccccc1SCC 62a_100000210202_200000155173 [0,2,0,0,0,0|1,1,0]=4 5579 B14R1.263 CCNC(=O)c1ccccc1SCC 62a_200000155173_100000210202 [0,2,0,0,0,0|1,1,0]=4 5580 B14R1.263 CCNC(=O)c1ccccc1SCF 62a_100015361967_200000155173 [0,2,0,0,0,0|1,1,0]=4 5581 B14R1.263 CCNC(=O)c1ccccc1SCF 62a_200000155173_100015361967 [0,2,0,0,0,0|1,1,0]=4 5582 B14R1.263 CCNc1ccccc1C(=O)NOC 34a_100011599994_100000210202 [0,2,0,0,0,0|1,0,0]=3 5583 B14R1.263 CCNc1ccncc1C(=O)OCC 27a_100015525214_100016987518 [0,2,0,0,0,0|2,0,0]=4 5584 B14R1.263 CCNc1ncccc1C(=O)OCC 27a_100015525214_100000170124 [0,2,0,0,0,0|2,0,0]=4 5585 B14R1.263 CCOC(=O)c1ccccc1CNC 2230a_106832991635_100009816840 [0,2,0,0,0,0|1,0,0]=3 5586 B14R1.263 CCOC(=O)c1ccccc1CNC 270004a_106832991635_200000006220 [0,2,0,0,0,0|1,0,0]=3 5587 B14R1.263 CCOC(=O)c1ccccc1CNC 34a_100102657272_100009816840 [0,2,0,0,0,0|1,0,0]=3 5588 B14R1.263 CCOC(=O)c1ccccc1CNC 7a_106832991635_100009816840 [0,2,0,0,0,0|1,0,0]=3 5589 B14R1.263 CCOC(=O)c1ccccc1COC 34a_100138415774_100009816840 [0,2,0,0,0,0|0,0,0]=2 5590 B14R1.263 CCOC(=O)c1ccccc1CSC 62a_100009816840_200000210301 [0,2,0,0,0,0|0,1,0]=3 5591 B14R1.263 CCOC(=O)c1ccccc1CSC 62a_200000210301_100009816840 [0,2,0,0,0,0|0,1,0]=3 5592 B14R1.263 CCOC(=O)c1ccccc1CS[13CH3] 62a_100009816840_200025704644 [0,2,0,0,0,0|0,1,0]=3 5593 B14R1.263 CCOC(=O)c1ccccc1CS[13CH3] 62a_200025704644_100009816840 [0,2,0,0,0,0|0,1,0]=3 5594 B14R1.263 CCOC(=O)c1ccccc1OCC 7a_100000169922_100000210202 [0,2,0,0,0,0|0,0,0]=2 5595 B14R1.263 CCOC(=O)c1ccccc1OCF 7a_100000169922_100015361967 [0,2,0,0,0,0|0,0,0]=2 5596 B14R1.263 CCOC(=O)c1ccccc1SCC 62a_100000169876_100000210202 [0,2,0,0,0,0|0,1,0]=3 5597 B14R1.263 CCOC(=O)c1ccccc1SCC 62a_100000210202_100000169879 [0,2,0,0,0,0|0,1,0]=3 5598 B14R1.263 CCOC(=O)c1ccccc1SCF 62a_100000169876_100015361967 [0,2,0,0,0,0|0,1,0]=3 5599 B14R1.263 CCOC(=O)c1ccccc1SCF 62a_100015361967_100000169879 [0,2,0,0,0,0|0,1,0]=3 5600 B14R1.263 CCOC(=O)c1cccnc1SCC 62a_100000210202_100000170124 [0,2,0,0,0,0|1,1,0]=4 5601 B14R1.263 CCOC(=O)c1cccnc1SCC 62a_100011291640_100000210202 [0,2,0,0,0,0|1,1,0]=4 5602 B14R1.263 CCOC(=O)c1cccnc1SCF 62a_100011291640_100015361967 [0,2,0,0,0,0|1,1,0]=4 5603 B14R1.263 CCOC(=O)c1cccnc1SCF 62a_100015361967_100000170124 [0,2,0,0,0,0|1,1,0]=4 5604 B14R1.263 CCOC(=O)c1ccncc1SCC 62a_100000210202_100010238393 [0,2,0,0,0,0|1,1,0]=4 5605 B14R1.263 CCOC(=O)c1ccncc1SCC 62a_100010238393_100000210202 [0,2,0,0,0,0|1,1,0]=4 5606 B14R1.263 CCOC(=O)c1ccncc1SCF 62a_100010238393_100015361967 [0,2,0,0,0,0|1,1,0]=4 5607 B14R1.263 CCOC(=O)c1ccncc1SCF 62a_100015361967_100010238393 [0,2,0,0,0,0|1,1,0]=4 5608 B14R1.263 CCOC(=O)c1cnccc1SCC 62a_100000210202_100016987518 [0,2,0,0,0,0|1,1,0]=4 5609 B14R1.263 CCOC(=O)c1cnccc1SCF 62a_100015361967_100016987518 [0,2,0,0,0,0|1,1,0]=4 5610 B14R1.263 CCOC(=O)c1ncccc1OCC 7a_200011376064_100000210202 [0,2,0,0,0,0|1,0,0]=3 5611 B14R1.263 CCOC(=O)c1ncccc1OCF 7a_200011376064_100015361967 [0,2,0,0,0,0|1,0,0]=3 5612 B14R1.263 CCOC(=O)c1ncccc1SCC 62a_100000210202_100012351660 [0,2,0,0,0,0|1,1,0]=4 5613 B14R1.263 CCOC(=O)c1ncccc1SCC 62a_100012351660_100000210202 [0,2,0,0,0,0|1,1,0]=4 5614 B14R1.263 CCOC(=O)c1ncccc1SCF 62a_100012351660_100015361967 [0,2,0,0,0,0|1,1,0]=4 5615 B14R1.263 CCOC(=O)c1ncccc1SCF 62a_100015361967_100012351660 [0,2,0,0,0,0|1,1,0]=4 5616 B14R1.263 CCOc1ccccc1C(=O)CC#N 1458a_100000211144_100011214920 [0,2,0,0,0,0|1,0,1]=4 5617 B14R1.263 CCOc1ccccc1C(=O)CC#N 7a_200009873261_100000210202 [0,2,0,0,0,0|1,0,1]=4 5618 B14R1.263 CCOc1ccccc1C(=O)CCCl 7a_100009873196_100000210202 [0,2,0,0,0,0|1,0,0]=3 5619 B14R1.263 CCOc1ccccc1C(=O)CCF 1458a_100000211144_100011217306 [0,2,0,0,0,0|1,0,0]=3 5620 B14R1.263 CCOc1ccccc1C(=O)CCO 1458a_100000211144_100000211926 [0,2,0,0,0,0|1,0,0]=3 5621 B14R1.263 CCOc1ccccc1C(=O)NNC 22a_100016993582_100000211144 [0,2,0,0,0,0|1,0,0]=3 5622 B14R1.263 CCOc1ccccc1C(C)OCC 7a_100000246524_100000210202 [0,2,0,0,0,0|1,0,1]=4 5623 B14R1.263 CCOc1ccccc1C(C)OCF 7a_100000246524_100015361967 [0,2,0,0,0,0|1,0,1]=4 5624 B14R1.263 CCSc1ccccc1C(=O)CCF 1458a_100000195471_100011217306 [0,2,0,0,0,0|1,1,0]=4 5625 B14R1.263 CCSc1ccccc1C(=O)CCO 1458a_100000195471_100000211926 [0,2,0,0,0,0|1,1,0]=4 5626 B14R1.263 CCSc1ccccc1C(=O)NNC 22a_100016993582_100000195471 [0,2,0,0,0,0|1,1,0]=4 5627 B14R1.263 CNNC(=O)c1ccccc1COC 22a_100016993582_100000737999 [0,2,0,0,0,0|1,0,0]=3 5628 B14R1.263 COCc1ccccc1C(=O)CC#N 1458a_100000737999_100011214920 [0,2,0,0,0,0|1,0,1]=4 5629 B14R1.263 COCc1ccccc1C(=O)CCF 1458a_100000737999_100011217306 [0,2,0,0,0,0|1,0,0]=3 5630 B14R1.263 COCc1ccccc1C(=O)CCO 1458a_100000737999_100000211926 [0,2,0,0,0,0|1,0,0]=3 5631 B14R1.263 CONC(=O)c1ccccc1NCF 34a_100011599994_100015361967 [0,2,0,0,0,0|1,0,0]=3 5632 B14R1.263 N#CCC(=O)c1ccccc1OCF 7a_200009873261_100015361967 [0,2,0,0,0,0|1,0,1]=4 5633 B14R1.263 O=C(CCCl)c1ccccc1OCF 7a_100009873196_100015361967 [0,2,0,0,0,0|1,0,0]=3 5634 B14R1.744 CC(C)Oc1ccccc1C(=O)CBr 7a_100000188908_100000210206 [0,2,0,0,0,0|2,0,0]=4 5635 B14R1.744 CC(C)Oc1ccccc1C(=O)CF 1458a_100000244644_100015361967 [0,2,0,0,0,0|2,0,0]=4 5636 B14R1.744 CC(C)Oc1ccccc1C(=O)NN 34a_100000186518_100000210206 [0,2,0,0,0,0|2,0,0]=4 5637 B14R1.744 CC(C)Oc1ccccc1C(=O)NO 34a_100000188472_100000210206 [0,2,0,0,0,0|2,0,0]=4 5638 B14R1.744 CC(C)Sc1ccccc1C(=O)O[Na] 62a_100000210206_114855342371 [0,2,0,0,0,0|1,1,0]=4 5639 B14R1.744 CCC(=O)c1ccccc1CN(C)C 1458a_100000743624_100000210202 [0,2,0,0,0,0|2,0,0]=4 5640 B14R1.744 CCC(=O)c1ccccc1OC(C)C 1458a_100000244644_100000210202 [0,2,0,0,0,0|1,0,0]=3 5641 B14R1.744 CCC(=O)c1ccccc1OC(C)C 7a_100000184720_100000210206 [0,2,0,0,0,0|1,0,0]=3 5642 B14R1.744 CCC(=O)c1ccccc1OC(F)F 1458a_100000184405_100000210202 [0,2,0,0,0,0|1,0,0]=3 5643 B14R1.744 CCC(=O)c1ccccc1SC(C)C 1458a_100000229993_100000210202 [0,2,0,0,0,0|1,1,0]=4 5644 B14R1.744 CCC(=O)c1ccccc1SC(F)F 1458a_100000185210_100000210202 [0,2,0,0,0,0|1,1,0]=4 5645 B14R1.744 CNC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000155073 [0,2,0,0,0,0|2,0,0]=4 5646 B14R1.744 CNC(=O)c1ccccc1CN(C)C 1626a_100102657272_100000743624 [0,2,0,0,0,0|2,0,0]=4 5647 B14R1.744 CNC(=O)c1ccccc1CN(C)C 240690a_100102657272_100000743624 [0,2,0,0,0,0|2,0,0]=4 5648 B14R1.744 CNC(=O)c1ccccc1NC(=O)C 11a_100000185696_100015343762 [0,2,0,0,0,0|2,0,0]=4 5649 B14R1.744 CNC(=O)c1ccccc1NC(=O)C 1626a_100000185696_100015343762 [0,2,0,0,0,0|2,0,0]=4 5650 B14R1.744 CNC(=O)c1ccccc1NC(=O)C 22a_100000185696_100000070787 [0,2,0,0,0,0|2,0,0]=4 5651 B14R1.744 CNC(=O)c1ccccc1NC(C)C 27a_100138425928_100000155073 [0,2,0,0,0,0|2,0,0]=4 5652 B14R1.744 CNC(=O)c1ccccc1NC(C)C 34a_100000185696_100000210206 [0,2,0,0,0,0|2,0,0]=4 5653 B14R1.744 CNC(=O)c1ccccc1OC(=O)C 240690a_100102657272_100000210466 [0,2,0,0,0,0|1,0,0]=3 5654 B14R1.744 CNC(=O)c1ccccc1OC(C)C 11a_106832991635_100000244644 [0,2,0,0,0,0|1,0,0]=3 5655 B14R1.744 CNC(=O)c1ccccc1OC(C)C 1626a_100102657272_100000244644 [0,2,0,0,0,0|1,0,0]=3 5656 B14R1.744 CNC(=O)c1ccccc1OC(C)C 240690a_100102657272_100000244644 [0,2,0,0,0,0|1,0,0]=3 5657 B14R1.744 CNC(=O)c1ccccc1OC(C)C 34a_100000185920_100000210206 [0,2,0,0,0,0|1,0,0]=3 5658 B14R1.744 CNC(=O)c1ccccc1OC(C)C 527a_100102657272_100000244644 [0,2,0,0,0,0|1,0,0]=3 5659 B14R1.744 CNC(=O)c1ccccc1OC(C)C 7a_100000185920_100000210206 [0,2,0,0,0,0|1,0,0]=3 5660 B14R1.744 CNC(=O)c1ccccc1OC(F)F 11a_106832991635_100000184405 [0,2,0,0,0,0|1,0,0]=3 5661 B14R1.744 CNC(=O)c1ccccc1OC(F)F 1626a_100102657272_100000184405 [0,2,0,0,0,0|1,0,0]=3 5662 B14R1.744 CNC(=O)c1ccccc1OC(F)F 240690a_100102657272_100000184405 [0,2,0,0,0,0|1,0,0]=3 5663 B14R1.744 CNC(=O)c1ccccc1OC(F)F 527a_100102657272_100000184405 [0,2,0,0,0,0|1,0,0]=3 5664 B14R1.744 CNC(=O)c1ccccc1SC(C)C 11a_106832991635_100000229993 [0,2,0,0,0,0|1,1,0]=4 5665 B14R1.744 CNC(=O)c1ccccc1SC(C)C 1626a_100102657272_100000229993 [0,2,0,0,0,0|1,1,0]=4 5666 B14R1.744 CNC(=O)c1ccccc1SC(C)C 240690a_100102657272_100000229993 [0,2,0,0,0,0|1,1,0]=4 5667 B14R1.744 CNC(=O)c1ccccc1SC(C)C 527a_100102657272_100000229993 [0,2,0,0,0,0|1,1,0]=4 5668 B14R1.744 CNC(=O)c1ccccc1SC(C)C 62a_100000155073_100000210206 [0,2,0,0,0,0|1,1,0]=4 5669 B14R1.744 CNC(=O)c1ccccc1SC(C)C 62a_100000210206_100000155073 [0,2,0,0,0,0|1,1,0]=4 5670 B14R1.744 CNC(=O)c1ccccc1SC(F)F 11a_106832991635_100000185210 [0,2,0,0,0,0|1,1,0]=4 5671 B14R1.744 CNC(=O)c1ccccc1SC(F)F 1626a_100102657272_100000185210 [0,2,0,0,0,0|1,1,0]=4 5672 B14R1.744 CNC(=O)c1ccccc1SC(F)F 240690a_100102657272_100000185210 [0,2,0,0,0,0|1,1,0]=4 5673 B14R1.744 CNC(=O)c1ccccc1SC(F)F 527a_100102657272_100000185210 [0,2,0,0,0,0|1,1,0]=4 5674 B14R1.744 CNC(=O)c1ncccc1OC(C)C 34a_100011376092_100000210206 [0,2,0,0,0,0|2,0,0]=4 5675 B14R1.744 CNC(=O)c1ncccc1OC(C)C 7a_100011376092_100000210206 [0,2,0,0,0,0|2,0,0]=4 5676 B14R1.744 COC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000148710 [0,2,0,0,0,0|1,0,0]=3 5677 B14R1.744 COC(=O)c1ccccc1CC(=O)C 1458a_100000070787_100000744672 [0,2,0,0,0,0|1,0,0]=3 5678 B14R1.744 COC(=O)c1ccccc1CC(=O)C 1458a_100000695166_200000210301 [0,2,0,0,0,0|1,0,0]=3 5679 B14R1.744 COC(=O)c1ccccc1CC(=O)[13CH3] 1458a_100000695166_200025704644 [0,2,0,0,0,0|1,0,0]=3 5680 B14R1.744 COC(=O)c1ccccc1CN(C)C 2230a_100102631434_100000744672 [0,2,0,0,0,0|1,0,0]=3 5681 B14R1.744 COC(=O)c1ccccc1CN(C)C 269982a_100102631434_100000744672 [0,2,0,0,0,0|1,0,0]=3 5682 B14R1.744 COC(=O)c1ccccc1OC(C)C 7a_100000150335_100000210206 [0,2,0,0,0,0|0,0,0]=2 5683 B14R1.744 COC(=O)c1ccccc1SC(C)C 62a_100000148710_100000210206 [0,2,0,0,0,0|0,1,0]=3 5684 B14R1.744 COC(=O)c1ccccc1SC(C)C 62a_100000210206_100000148710 [0,2,0,0,0,0|0,1,0]=3 5685 B14R1.744 COC(=O)c1cccnc1C=C(C)C 271570a_100102525489_100000150852 [0,2,0,0,0,0|2,0,0]=4 5686 B14R1.744 COC(=O)c1cccnc1CC(=O)C 1458a_100000070787_100000709840 [0,2,0,0,0,0|2,0,0]=4 5687 B14R1.744 COC(=O)c1cccnc1CN(C)C 2230a_100102631434_100000709840 [0,2,0,0,0,0|2,0,0]=4 5688 B14R1.744 COC(=O)c1cccnc1CN(C)C 269982a_100102631434_100012347567 [0,2,0,0,0,0|2,0,0]=4 5689 B14R1.744 COC(=O)c1cccnc1NC(C)C 27a_100138425928_100000150852 [0,2,0,0,0,0|2,0,0]=4 5690 B14R1.744 COC(=O)c1cccnc1SC(C)C 62a_100000210206_100000150852 [0,2,0,0,0,0|1,1,0]=4 5691 B14R1.744 COC(=O)c1cccnc1SC(C)C 62a_100011587185_100000210206 [0,2,0,0,0,0|1,1,0]=4 5692 B14R1.744 COC(=O)c1ccncc1C=C(C)C 271570a_100102525489_100010008606 [0,2,0,0,0,0|2,0,0]=4 5693 B14R1.744 COC(=O)c1ccncc1SC(C)C 62a_100000210206_100010008606 [0,2,0,0,0,0|1,1,0]=4 5694 B14R1.744 COC(=O)c1ccncc1SC(C)C 62a_100010008606_100000210206 [0,2,0,0,0,0|1,1,0]=4 5695 B14R1.744 COC(=O)c1cnccc1C=C(C)C 271570a_100102525489_100020629055 [0,2,0,0,0,0|2,0,0]=4 5696 B14R1.744 COC(=O)c1cnccc1SC(C)C 62a_100000210206_100020629055 [0,2,0,0,0,0|1,1,0]=4 5697 B14R1.744 COC(=O)c1cnccc1SC(C)C 62a_100020629055_100000210206 [0,2,0,0,0,0|1,1,0]=4 5698 B14R1.744 COC(=O)c1ncccc1C=C(C)C 271570a_100102525489_100011935214 [0,2,0,0,0,0|2,0,0]=4 5699 B14R1.744 COC(=O)c1ncccc1CC(=O)C 1458a_100000070787_100010177730 [0,2,0,0,0,0|2,0,0]=4 5700 B14R1.744 COC(=O)c1ncccc1CN(C)C 2230a_100102631434_100010177730 [0,2,0,0,0,0|2,0,0]=4 5701 B14R1.744 COC(=O)c1ncccc1CN(C)C 269982a_100102631434_100010177730 [0,2,0,0,0,0|2,0,0]=4 5702 B14R1.744 COC(=O)c1ncccc1OC(C)C 34a_100000744052_100000210206 [0,2,0,0,0,0|1,0,0]=3 5703 B14R1.744 COC(=O)c1ncccc1OC(C)C 7a_100000744052_100000210206 [0,2,0,0,0,0|1,0,0]=3 5704 B14R1.744 COC(=O)c1ncccc1SC(C)C 62a_100000210206_100011935214 [0,2,0,0,0,0|1,1,0]=4 5705 B14R1.744 COC(=O)c1ncccc1SC(C)C 62a_100011935214_100000210206 [0,2,0,0,0,0|1,1,0]=4 5706 B14R1.744 O=C(CF)c1ccccc1OC(F)F 1458a_100000184405_100015361967 [0,2,0,0,0,0|2,0,0]=4 5707 B14R1.746 CCC(=O)c1ccccc1C(=O)OC 1458a_100011215673_100000210202 [0,2,0,0,0,0|1,0,0]=3 5708 B14R1.746 CCN(C)c1ccccc1C(=O)OC 269982a_100000170468_100000204670 [0,2,0,0,0,0|1,0,0]=3 5709 B14R1.746 CCN(C)c1ccccc1C(=O)OC 34a_100000170468_100000210202 [0,2,0,0,0,0|1,0,0]=3 5710 B14R1.746 CNC(=O)c1ccccc1C(=O)OC 1626a_100102657272_100011215673 [0,2,0,0,0,0|1,0,0]=3 5711 B14R1.746 CNC(=O)c1ccccc1C(=O)OC 240690a_100102657272_100011215673 [0,2,0,0,0,0|1,0,0]=3 5712 B14R1.746 COC(=O)c1ccccc1C(=O)CF 1458a_100011215673_100015361967 [0,2,0,0,0,0|1,0,0]=3 5713 B14R1.746 COC(=O)c1ccccc1N(C)CF 269982a_100000170468_100015361967 [0,2,0,0,0,0|1,0,0]=3 5714 B14R1.746 COC(=O)c1ccccc1N(C)CF 34a_100000170468_100015361967 [0,2,0,0,0,0|1,0,0]=3 5715 B14R1.789 C#CCNc1ccccc1C(=O)NC 27a_100000212058_100000155073 [0,2,0,0,0,0|2,0,0]=4 5716 B14R1.789 C#CCNc1ccccc1C(=O)NC 34a_100000185696_100000184674 [0,2,0,0,0,0|2,0,0]=4 5717 B14R1.789 C#CCNc1ncccc1C(=O)OC 27a_100000212058_100000150852 [0,2,0,0,0,0|2,0,0]=4 5718 B14R1.789 C#CCOc1ccccc1C(=O)CBr 7a_100000188908_100000038162 [0,2,0,0,0,0|2,0,0]=4 5719 B14R1.789 C#CCOc1ccccc1C(=O)CC 1458a_100000217172_100000210202 [0,2,0,0,0,0|1,0,0]=3 5720 B14R1.789 C#CCOc1ccccc1C(=O)CC 7a_100000184720_100000038162 [0,2,0,0,0,0|1,0,0]=3 5721 B14R1.789 C#CCOc1ccccc1C(=O)CF 1458a_100000217172_100015361967 [0,2,0,0,0,0|2,0,0]=4 5722 B14R1.789 C#CCOc1ccccc1C(=O)NC 11a_106832991635_100000217172 [0,2,0,0,0,0|1,0,0]=3 5723 B14R1.789 C#CCOc1ccccc1C(=O)NC 1626a_100102657272_100000217172 [0,2,0,0,0,0|1,0,0]=3 5724 B14R1.789 C#CCOc1ccccc1C(=O)NC 240690a_100102657272_100000217172 [0,2,0,0,0,0|1,0,0]=3 5725 B14R1.789 C#CCOc1ccccc1C(=O)NC 34a_100000185920_100000184674 [0,2,0,0,0,0|1,0,0]=3 5726 B14R1.789 C#CCOc1ccccc1C(=O)NC 527a_100102657272_100000217172 [0,2,0,0,0,0|1,0,0]=3 5727 B14R1.789 C#CCOc1ccccc1C(=O)NC 7a_100000185920_100000038162 [0,2,0,0,0,0|1,0,0]=3 5728 B14R1.789 C#CCOc1ccccc1C(=O)NN 34a_100000186518_100000184674 [0,2,0,0,0,0|2,0,0]=4 5729 B14R1.789 C#CCOc1ccccc1C(=O)NO 34a_100000188472_100000184674 [0,2,0,0,0,0|2,0,0]=4 5730 B14R1.789 C#CCOc1ccccc1C(=O)OC 7a_100000150335_100000038162 [0,2,0,0,0,0|0,0,0]=2 5731 B14R1.789 C#CCOc1cccnc1C(=O)NC 34a_100011376092_100000184674 [0,2,0,0,0,0|2,0,0]=4 5732 B14R1.789 C#CCOc1cccnc1C(=O)NC 7a_100011376092_100000038162 [0,2,0,0,0,0|2,0,0]=4 5733 B14R1.789 C#CCOc1cccnc1C(=O)OC 34a_100000744052_100000184674 [0,2,0,0,0,0|1,0,0]=3 5734 B14R1.789 C#CCOc1cccnc1C(=O)OC 7a_100000744052_100000038162 [0,2,0,0,0,0|1,0,0]=3 5735 B14R1.789 C#CCSc1ccccc1C(=O)NC 62a_100000038162_100000155073 [0,2,0,0,0,0|1,1,0]=4 5736 B14R1.789 C#CCSc1ccccc1C(=O)OC 62a_100000038162_100000148710 [0,2,0,0,0,0|0,1,0]=3 5737 B14R1.789 C#CCSc1ccccc1C(=O)O[Na] 62a_100000038162_114855342371 [0,2,0,0,0,0|1,1,0]=4 5738 B14R1.789 C#CCSc1cccnc1C(=O)OC 62a_100000038162_100011935214 [0,2,0,0,0,0|1,1,0]=4 5739 B14R1.789 C#CCSc1ccncc1C(=O)OC 62a_100000038162_100020629055 [0,2,0,0,0,0|1,1,0]=4 5740 B14R1.789 C#CCSc1cnccc1C(=O)OC 62a_100000038162_100010008606 [0,2,0,0,0,0|1,1,0]=4 5741 B14R1.789 C#CCSc1ncccc1C(=O)OC 62a_100000038162_100000150852 [0,2,0,0,0,0|1,1,0]=4 5742 B14R1.789 C=CCNc1ccccc1C(=O)NC 27a_100020586998_100000155073 [0,2,0,0,0,0|2,0,0]=4 5743 B14R1.789 C=CCNc1ccccc1C(=O)NC 34a_100000185696_100015514636 [0,2,0,0,0,0|2,0,0]=4 5744 B14R1.789 C=CCNc1ncccc1C(=O)OC 27a_100020586998_100000150852 [0,2,0,0,0,0|2,0,0]=4 5745 B14R1.789 C=CCOc1ccccc1C(=O)CBr 7a_100000188908_100015514636 [0,2,0,0,0,0|2,0,0]=4 5746 B14R1.789 C=CCOc1ccccc1C(=O)CC 1458a_100000189412_100000210202 [0,2,0,0,0,0|1,0,0]=3 5747 B14R1.789 C=CCOc1ccccc1C(=O)CC 7a_100000184720_100015514636 [0,2,0,0,0,0|1,0,0]=3 5748 B14R1.789 C=CCOc1ccccc1C(=O)CF 1458a_100000189412_100015361967 [0,2,0,0,0,0|2,0,0]=4 5749 B14R1.789 C=CCOc1ccccc1C(=O)NC 11a_106832991635_100000189412 [0,2,0,0,0,0|1,0,0]=3 5750 B14R1.789 C=CCOc1ccccc1C(=O)NC 1626a_100102657272_100000189412 [0,2,0,0,0,0|1,0,0]=3 5751 B14R1.789 C=CCOc1ccccc1C(=O)NC 240690a_100102657272_100000189412 [0,2,0,0,0,0|1,0,0]=3 5752 B14R1.789 C=CCOc1ccccc1C(=O)NC 34a_100000185920_100015514636 [0,2,0,0,0,0|1,0,0]=3 5753 B14R1.789 C=CCOc1ccccc1C(=O)NC 527a_100102657272_100000189412 [0,2,0,0,0,0|1,0,0]=3 5754 B14R1.789 C=CCOc1ccccc1C(=O)NC 7a_100000185920_100015514636 [0,2,0,0,0,0|1,0,0]=3 5755 B14R1.789 C=CCOc1ccccc1C(=O)NN 34a_100000186518_100015514636 [0,2,0,0,0,0|2,0,0]=4 5756 B14R1.789 C=CCOc1ccccc1C(=O)NO 34a_100000188472_100015514636 [0,2,0,0,0,0|2,0,0]=4 5757 B14R1.789 C=CCOc1ccccc1C(=O)OC 7a_100000150335_100015514636 [0,2,0,0,0,0|0,0,0]=2 5758 B14R1.789 C=CCOc1cccnc1C(=O)NC 34a_100011376092_100015514636 [0,2,0,0,0,0|2,0,0]=4 5759 B14R1.789 C=CCOc1cccnc1C(=O)NC 7a_100011376092_100015514636 [0,2,0,0,0,0|2,0,0]=4 5760 B14R1.789 C=CCOc1cccnc1C(=O)OC 34a_100000744052_100015514636 [0,2,0,0,0,0|1,0,0]=3 5761 B14R1.789 C=CCOc1cccnc1C(=O)OC 7a_100000744052_100015514636 [0,2,0,0,0,0|1,0,0]=3 5762 B14R1.789 C=CCSc1ccccc1C(=O)NC 62a_100000155073_100000210623 [0,2,0,0,0,0|1,1,0]=4 5763 B14R1.789 C=CCSc1ccccc1C(=O)NC 62a_100000210623_100000155073 [0,2,0,0,0,0|1,1,0]=4 5764 B14R1.789 C=CCSc1ccccc1C(=O)OC 62a_100000148710_100000210623 [0,2,0,0,0,0|0,1,0]=3 5765 B14R1.789 C=CCSc1ccccc1C(=O)OC 62a_100000210623_100000148710 [0,2,0,0,0,0|0,1,0]=3 5766 B14R1.789 C=CCSc1ccccc1C(=O)O[Na] 62a_100000210623_114855342371 [0,2,0,0,0,0|1,1,0]=4 5767 B14R1.789 C=CCSc1cccnc1C(=O)OC 62a_100000210623_100011935214 [0,2,0,0,0,0|1,1,0]=4 5768 B14R1.789 C=CCSc1cccnc1C(=O)OC 62a_100011935214_100000210623 [0,2,0,0,0,0|1,1,0]=4 5769 B14R1.789 C=CCSc1ccncc1C(=O)OC 62a_100000210623_100020629055 [0,2,0,0,0,0|1,1,0]=4 5770 B14R1.789 C=CCSc1ccncc1C(=O)OC 62a_100020629055_100000210623 [0,2,0,0,0,0|1,1,0]=4 5771 B14R1.789 C=CCSc1cnccc1C(=O)OC 62a_100000210623_100010008606 [0,2,0,0,0,0|1,1,0]=4 5772 B14R1.789 C=CCSc1cnccc1C(=O)OC 62a_100010008606_100000210623 [0,2,0,0,0,0|1,1,0]=4 5773 B14R1.789 C=CCSc1ncccc1C(=O)OC 62a_100000210623_100000150852 [0,2,0,0,0,0|1,1,0]=4 5774 B14R1.789 C=CCSc1ncccc1C(=O)OC 62a_100011587185_100000210623 [0,2,0,0,0,0|1,1,0]=4 5775 B14R1.789 CCC(=O)c1ccccc1OCC#N 7a_100000184720_100011215382 [0,2,0,0,0,0|1,0,0]=3 5776 B14R1.789 CCC(=O)c1ccccc1OCC=O 7a_100000184720_200015260668 [0,2,0,0,0,0|1,0,0]=3 5777 B14R1.789 CCC(=O)c1ccccc1OCCF 7a_100000184720_100011217306 [0,2,0,0,0,0|1,0,0]=3 5778 B14R1.789 CCC(=O)c1ccccc1OCCO 1458a_200000217288_100000210202 [0,2,0,0,0,0|1,0,0]=3 5779 B14R1.789 CCC(=O)c1ccccc1OCCO 7a_100000184720_100000211926 [0,2,0,0,0,0|1,0,0]=3 5780 B14R1.789 CCCCc1ccccc1C(=O)NC 271570a_100020621405_100000155073 [0,2,0,0,0,0|2,0,0]=4 5781 B14R1.789 CCCCc1ccccc1C(=O)OC 271570a_100020621405_100000148710 [0,2,0,0,0,0|1,0,0]=3 5782 B14R1.789 CCCCc1cccnc1C(=O)OC 271570a_100020621405_100011935214 [0,2,0,0,0,0|2,0,0]=4 5783 B14R1.789 CCCCc1ccncc1C(=O)OC 271570a_100020621405_100020629055 [0,2,0,0,0,0|2,0,0]=4 5784 B14R1.789 CCCCc1cnccc1C(=O)OC 271570a_100020621405_100010008606 [0,2,0,0,0,0|2,0,0]=4 5785 B14R1.789 CCCCc1ncccc1C(=O)OC 271570a_100020621405_100000150852 [0,2,0,0,0,0|2,0,0]=4 5786 B14R1.789 CCCNc1ccccc1C(=O)NC 34a_100000185696_100000210303 [0,2,0,0,0,0|2,0,0]=4 5787 B14R1.789 CCCOc1ccccc1C(=O)CBr 7a_100000188908_100000210303 [0,2,0,0,0,0|2,0,0]=4 5788 B14R1.789 CCCOc1ccccc1C(=O)CC 1458a_100000215688_100000210202 [0,2,0,0,0,0|1,0,0]=3 5789 B14R1.789 CCCOc1ccccc1C(=O)CC 7a_100000184720_100000210303 [0,2,0,0,0,0|1,0,0]=3 5790 B14R1.789 CCCOc1ccccc1C(=O)CF 1458a_100000215688_100015361967 [0,2,0,0,0,0|2,0,0]=4 5791 B14R1.789 CCCOc1ccccc1C(=O)NC 11a_106832991635_100000215688 [0,2,0,0,0,0|1,0,0]=3 5792 B14R1.789 CCCOc1ccccc1C(=O)NC 1626a_100102657272_100000215688 [0,2,0,0,0,0|1,0,0]=3 5793 B14R1.789 CCCOc1ccccc1C(=O)NC 240690a_100102657272_100000215688 [0,2,0,0,0,0|1,0,0]=3 5794 B14R1.789 CCCOc1ccccc1C(=O)NC 34a_100000185920_100000210303 [0,2,0,0,0,0|1,0,0]=3 5795 B14R1.789 CCCOc1ccccc1C(=O)NC 527a_100102657272_100000215688 [0,2,0,0,0,0|1,0,0]=3 5796 B14R1.789 CCCOc1ccccc1C(=O)NC 7a_100000185920_100000210303 [0,2,0,0,0,0|1,0,0]=3 5797 B14R1.789 CCCOc1ccccc1C(=O)NN 34a_100000186518_100000210303 [0,2,0,0,0,0|2,0,0]=4 5798 B14R1.789 CCCOc1ccccc1C(=O)NO 34a_100000188472_100000210303 [0,2,0,0,0,0|2,0,0]=4 5799 B14R1.789 CCCOc1ccccc1C(=O)OC 7a_100000150335_100000210303 [0,2,0,0,0,0|0,0,0]=2 5800 B14R1.789 CCCOc1cccnc1C(=O)NC 34a_100011376092_100000210303 [0,2,0,0,0,0|2,0,0]=4 5801 B14R1.789 CCCOc1cccnc1C(=O)NC 7a_100011376092_100000210303 [0,2,0,0,0,0|2,0,0]=4 5802 B14R1.789 CCCOc1cccnc1C(=O)OC 34a_100000744052_100000210303 [0,2,0,0,0,0|1,0,0]=3 5803 B14R1.789 CCCOc1cccnc1C(=O)OC 7a_100000744052_100000210303 [0,2,0,0,0,0|1,0,0]=3 5804 B14R1.789 CCCSc1ccccc1C(=O)CC 1458a_100000217225_100000210202 [0,2,0,0,0,0|1,1,0]=4 5805 B14R1.789 CCCSc1ccccc1C(=O)NC 11a_106832991635_100000217225 [0,2,0,0,0,0|1,1,0]=4 5806 B14R1.789 CCCSc1ccccc1C(=O)NC 1626a_100102657272_100000217225 [0,2,0,0,0,0|1,1,0]=4 5807 B14R1.789 CCCSc1ccccc1C(=O)NC 240690a_100102657272_100000217225 [0,2,0,0,0,0|1,1,0]=4 5808 B14R1.789 CCCSc1ccccc1C(=O)NC 527a_100102657272_100000217225 [0,2,0,0,0,0|1,1,0]=4 5809 B14R1.789 CCCSc1ccccc1C(=O)NC 62a_100000155073_100000210303 [0,2,0,0,0,0|1,1,0]=4 5810 B14R1.789 CCCSc1ccccc1C(=O)NC 62a_100000210303_100000155073 [0,2,0,0,0,0|1,1,0]=4 5811 B14R1.789 CCCSc1ccccc1C(=O)OC 62a_100000148710_100000210303 [0,2,0,0,0,0|0,1,0]=3 5812 B14R1.789 CCCSc1ccccc1C(=O)OC 62a_100000210303_100000148710 [0,2,0,0,0,0|0,1,0]=3 5813 B14R1.789 CCCSc1ccccc1C(=O)O[Na] 62a_100000210303_114855342371 [0,2,0,0,0,0|1,1,0]=4 5814 B14R1.789 CCCSc1cccnc1C(=O)OC 62a_100000210303_100011935214 [0,2,0,0,0,0|1,1,0]=4 5815 B14R1.789 CCCSc1cccnc1C(=O)OC 62a_100011935214_100000210303 [0,2,0,0,0,0|1,1,0]=4 5816 B14R1.789 CCCSc1ccncc1C(=O)OC 62a_100000210303_100020629055 [0,2,0,0,0,0|1,1,0]=4 5817 B14R1.789 CCCSc1ccncc1C(=O)OC 62a_100020629055_100000210303 [0,2,0,0,0,0|1,1,0]=4 5818 B14R1.789 CCCSc1cnccc1C(=O)OC 62a_100000210303_100010008606 [0,2,0,0,0,0|1,1,0]=4 5819 B14R1.789 CCCSc1cnccc1C(=O)OC 62a_100010008606_100000210303 [0,2,0,0,0,0|1,1,0]=4 5820 B14R1.789 CCCSc1ncccc1C(=O)OC 62a_100000210303_100000150852 [0,2,0,0,0,0|1,1,0]=4 5821 B14R1.789 CCCSc1ncccc1C(=O)OC 62a_100011587185_100000210303 [0,2,0,0,0,0|1,1,0]=4 5822 B14R1.789 CCNCc1ccccc1C(=O)OC 2230a_100015525214_100000744672 [0,2,0,0,0,0|1,0,0]=3 5823 B14R1.789 CCNCc1cccnc1C(=O)OC 2230a_100015525214_100010177730 [0,2,0,0,0,0|2,0,0]=4 5824 B14R1.789 CCNCc1ncccc1C(=O)OC 2230a_100015525214_100000709840 [0,2,0,0,0,0|2,0,0]=4 5825 B14R1.789 CCOCc1ccccc1C(=O)NC 34a_100009855793_100000210202 [0,2,0,0,0,0|1,0,0]=3 5826 B14R1.789 CCOCc1ccccc1C(=O)NC 7a_100009855793_100000210202 [0,2,0,0,0,0|1,0,0]=3 5827 B14R1.789 CCOCc1ccccc1C(=O)OC 34a_100121572206_100000744672 [0,2,0,0,0,0|0,0,0]=2 5828 B14R1.789 CCOCc1cccnc1C(=O)OC 34a_100121572206_100010177730 [0,2,0,0,0,0|1,0,0]=3 5829 B14R1.789 CCOCc1ncccc1C(=O)OC 34a_100121572206_100012347567 [0,2,0,0,0,0|1,0,0]=3 5830 B14R1.789 CCSCc1ccccc1C(=O)OC 62a_100000210202_100000744672 [0,2,0,0,0,0|0,1,0]=3 5831 B14R1.789 CCSCc1ccccc1C(=O)OC 62a_100000744672_100000210202 [0,2,0,0,0,0|0,1,0]=3 5832 B14R1.789 CCSCc1cccnc1C(=O)OC 62a_100000210202_100010177730 [0,2,0,0,0,0|1,1,0]=4 5833 B14R1.789 CCSCc1cccnc1C(=O)OC 62a_100010177730_100000210202 [0,2,0,0,0,0|1,1,0]=4 5834 B14R1.789 CCSCc1ncccc1C(=O)OC 62a_100000210202_100000709840 [0,2,0,0,0,0|1,1,0]=4 5835 B14R1.789 CCSCc1ncccc1C(=O)OC 62a_100000709840_100000210202 [0,2,0,0,0,0|1,1,0]=4 5836 B14R1.789 CC[Hg]Sc1ccccc1C(=O)CC 1458a_100000046266_100000210202 [0,2,0,0,0,0|1,1,0]=4 5837 B14R1.789 CC[Hg]Sc1ccccc1C(=O)NC 11a_106832991635_100000046266 [0,2,0,0,0,0|1,1,0]=4 5838 B14R1.789 CC[Hg]Sc1ccccc1C(=O)NC 1626a_100102657272_100000046266 [0,2,0,0,0,0|1,1,0]=4 5839 B14R1.789 CC[Hg]Sc1ccccc1C(=O)NC 240690a_100102657272_100000046266 [0,2,0,0,0,0|1,1,0]=4 5840 B14R1.789 CC[Hg]Sc1ccccc1C(=O)NC 527a_100102657272_100000046266 [0,2,0,0,0,0|1,1,0]=4 5841 B14R1.789 CNC(=O)c1ccccc1COCF 34a_100009855793_100015361967 [0,2,0,0,0,0|1,0,0]=3 5842 B14R1.789 CNC(=O)c1ccccc1COCF 7a_100009855793_100015361967 [0,2,0,0,0,0|1,0,0]=3 5843 B14R1.789 CNC(=O)c1ccccc1NCC=O 34a_100000185696_200009817547 [0,2,0,0,0,0|2,0,0]=4 5844 B14R1.789 CNC(=O)c1ccccc1NCCF 34a_100000185696_100011217306 [0,2,0,0,0,0|2,0,0]=4 5845 B14R1.789 CNC(=O)c1ccccc1NCCO 27a_100000210304_100000155073 [0,2,0,0,0,0|2,0,0]=4 5846 B14R1.789 CNC(=O)c1ccccc1NCCO 34a_100000185696_100000211926 [0,2,0,0,0,0|2,0,0]=4 5847 B14R1.789 CNC(=O)c1ccccc1NCSC 34a_100000185696_100011218213 [0,2,0,0,0,0|1,1,0]=4 5848 B14R1.789 CNC(=O)c1ccccc1OCC#N 7a_100000185920_100011215382 [0,2,0,0,0,0|1,0,0]=3 5849 B14R1.789 CNC(=O)c1ccccc1OCC=O 34a_100000185920_200009817547 [0,2,0,0,0,0|1,0,0]=3 5850 B14R1.789 CNC(=O)c1ccccc1OCC=O 7a_100000185920_200015260668 [0,2,0,0,0,0|1,0,0]=3 5851 B14R1.789 CNC(=O)c1ccccc1OCCF 34a_100000185920_100011217306 [0,2,0,0,0,0|1,0,0]=3 5852 B14R1.789 CNC(=O)c1ccccc1OCCF 7a_100000185920_100011217306 [0,2,0,0,0,0|1,0,0]=3 5853 B14R1.789 CNC(=O)c1ccccc1OCCO 240690a_100102657272_200000217288 [0,2,0,0,0,0|1,0,0]=3 5854 B14R1.789 CNC(=O)c1ccccc1OCCO 34a_100000185920_100000211926 [0,2,0,0,0,0|1,0,0]=3 5855 B14R1.789 CNC(=O)c1ccccc1OCCO 7a_100000185920_100000211926 [0,2,0,0,0,0|1,0,0]=3 5856 B14R1.789 CNC(=O)c1ccccc1OCSC 34a_100000185920_100011218213 [0,2,0,0,0,0|1,0,0]=3 5857 B14R1.789 CNC(=O)c1ccccc1SCC#N 62a_100000155073_100011215382 [0,2,0,0,0,0|1,1,0]=4 5858 B14R1.789 CNC(=O)c1ccccc1SCC#N 62a_100011215382_100000155073 [0,2,0,0,0,0|1,1,0]=4 5859 B14R1.789 CNC(=O)c1ccccc1SCC=O 62a_100000155073_200015260668 [0,2,0,0,0,0|1,1,0]=4 5860 B14R1.789 CNC(=O)c1ccccc1SCC=O 62a_200015260668_100000155073 [0,2,0,0,0,0|1,1,0]=4 5861 B14R1.789 CNC(=O)c1ccccc1SCCF 62a_100000155073_100011217306 [0,2,0,0,0,0|1,1,0]=4 5862 B14R1.789 CNC(=O)c1ccccc1SCCF 62a_100011217306_100000155073 [0,2,0,0,0,0|1,1,0]=4 5863 B14R1.789 CNC(=O)c1ccccc1SCCO 62a_100000155073_100000211926 [0,2,0,0,0,0|1,1,0]=4 5864 B14R1.789 CNC(=O)c1ccccc1SCCO 62a_100000211926_100000155073 [0,2,0,0,0,0|1,1,0]=4 5865 B14R1.789 CNC(=O)c1ccccc1SCOC 62a_100000155073_100000766300 [0,2,0,0,0,0|1,0,0]=3 5866 B14R1.789 CNC(=O)c1ccccc1SCOC 62a_100000766300_100000155073 [0,2,0,0,0,0|1,0,0]=3 5867 B14R1.789 CNC(=O)c1ccccc1SCSC 62a_100000155073_100011218213 [0,2,0,0,0,0|1,1,0]=4 5868 B14R1.789 CNC(=O)c1ccccc1SCSC 62a_100011218213_100000155073 [0,2,0,0,0,0|1,1,0]=4 5869 B14R1.789 CNC(=O)c1cccnc1SCOC 62a_100000159833_100000766300 [0,2,0,0,0,0|2,0,0]=4 5870 B14R1.789 CNC(=O)c1cccnc1SCOC 62a_100000766300_100000159833 [0,2,0,0,0,0|2,0,0]=4 5871 B14R1.789 CNC(=O)c1ncccc1OCC#N 7a_100011376092_100011215382 [0,2,0,0,0,0|2,0,0]=4 5872 B14R1.789 CNC(=O)c1ncccc1OCC=O 34a_100011376092_200009817547 [0,2,0,0,0,0|2,0,0]=4 5873 B14R1.789 CNC(=O)c1ncccc1OCC=O 7a_100011376092_200015260668 [0,2,0,0,0,0|2,0,0]=4 5874 B14R1.789 CNC(=O)c1ncccc1OCCF 34a_100011376092_100011217306 [0,2,0,0,0,0|2,0,0]=4 5875 B14R1.789 CNC(=O)c1ncccc1OCCF 7a_100011376092_100011217306 [0,2,0,0,0,0|2,0,0]=4 5876 B14R1.789 CNC(=O)c1ncccc1OCCO 34a_100011376092_100000211926 [0,2,0,0,0,0|2,0,0]=4 5877 B14R1.789 CNC(=O)c1ncccc1OCCO 7a_100011376092_100000211926 [0,2,0,0,0,0|2,0,0]=4 5878 B14R1.789 CNC(=O)c1ncccc1OCSC 34a_100011376092_100011218213 [0,2,0,0,0,0|2,0,0]=4 5879 B14R1.789 CNCCc1ccccc1C(=O)OC 2230a_106832991635_200010284099 [0,2,0,0,0,0|1,0,0]=3 5880 B14R1.789 CNCCc1ccccc1C(=O)OC 34a_100102657272_200010284099 [0,2,0,0,0,0|1,0,0]=3 5881 B14R1.789 CNCCc1ccccc1C(=O)OC 7a_106832991635_200010284099 [0,2,0,0,0,0|1,0,0]=3 5882 B14R1.789 COC(=O)c1ccccc1CCSC 62a_200000210301_200010284099 [0,2,0,0,0,0|0,1,0]=3 5883 B14R1.789 COC(=O)c1ccccc1CCSC 62a_200010284099_200000210301 [0,2,0,0,0,0|0,1,0]=3 5884 B14R1.789 COC(=O)c1ccccc1CCS[13CH3] 62a_200010284099_200025704644 [0,2,0,0,0,0|0,1,0]=3 5885 B14R1.789 COC(=O)c1ccccc1CCS[13CH3] 62a_200025704644_200010284099 [0,2,0,0,0,0|0,1,0]=3 5886 B14R1.789 COC(=O)c1ccccc1CSCF 62a_100000744672_100015361967 [0,2,0,0,0,0|0,1,0]=3 5887 B14R1.789 COC(=O)c1ccccc1CSCF 62a_100015361967_100000744672 [0,2,0,0,0,0|0,1,0]=3 5888 B14R1.789 COC(=O)c1ccccc1OCC#N 7a_100000150335_100011215382 [0,2,0,0,0,0|0,0,0]=2 5889 B14R1.789 COC(=O)c1ccccc1OCC=O 7a_100000150335_200015260668 [0,2,0,0,0,0|0,0,0]=2 5890 B14R1.789 COC(=O)c1ccccc1OCCF 7a_100000150335_100011217306 [0,2,0,0,0,0|0,0,0]=2 5891 B14R1.789 COC(=O)c1ccccc1OCCO 7a_100000150335_100000211926 [0,2,0,0,0,0|0,0,0]=2 5892 B14R1.789 COC(=O)c1ccccc1SCC#N 62a_100000148710_100011215382 [0,2,0,0,0,0|0,1,0]=3 5893 B14R1.789 COC(=O)c1ccccc1SCC#N 62a_100011215382_100000148710 [0,2,0,0,0,0|0,1,0]=3 5894 B14R1.789 COC(=O)c1ccccc1SCC=O 62a_100000148710_200015260668 [0,2,0,0,0,0|0,1,0]=3 5895 B14R1.789 COC(=O)c1ccccc1SCC=O 62a_200015260668_100000148710 [0,2,0,0,0,0|0,1,0]=3 5896 B14R1.789 COC(=O)c1ccccc1SCCF 62a_100000148710_100011217306 [0,2,0,0,0,0|0,1,0]=3 5897 B14R1.789 COC(=O)c1ccccc1SCCF 62a_100011217306_100000148710 [0,2,0,0,0,0|0,1,0]=3 5898 B14R1.789 COC(=O)c1ccccc1SCCO 62a_100000148710_100000211926 [0,2,0,0,0,0|0,1,0]=3 5899 B14R1.789 COC(=O)c1ccccc1SCCO 62a_100000211926_100000148710 [0,2,0,0,0,0|0,1,0]=3 5900 B14R1.789 COC(=O)c1ccccc1SCSC 62a_100000148710_100011218213 [0,2,0,0,0,0|0,1,0]=3 5901 B14R1.789 COC(=O)c1ccccc1SCSC 62a_100011218213_100000148710 [0,2,0,0,0,0|0,1,0]=3 5902 B14R1.789 COC(=O)c1cccnc1CSCF 62a_100000709840_100015361967 [0,2,0,0,0,0|1,1,0]=4 5903 B14R1.789 COC(=O)c1cccnc1CSCF 62a_100015361967_100000709840 [0,2,0,0,0,0|1,1,0]=4 5904 B14R1.789 COC(=O)c1cccnc1NCCO 27a_100000210304_100000150852 [0,2,0,0,0,0|2,0,0]=4 5905 B14R1.789 COC(=O)c1cccnc1SCC#N 62a_100011215382_100000150852 [0,2,0,0,0,0|1,1,0]=4 5906 B14R1.789 COC(=O)c1cccnc1SCC#N 62a_100011587185_100011215382 [0,2,0,0,0,0|1,1,0]=4 5907 B14R1.789 COC(=O)c1cccnc1SCC=O 62a_100011587185_200015260668 [0,2,0,0,0,0|1,1,0]=4 5908 B14R1.789 COC(=O)c1cccnc1SCC=O 62a_200015260668_100000150852 [0,2,0,0,0,0|1,1,0]=4 5909 B14R1.789 COC(=O)c1cccnc1SCCF 62a_100011217306_100000150852 [0,2,0,0,0,0|1,1,0]=4 5910 B14R1.789 COC(=O)c1cccnc1SCCF 62a_100011587185_100011217306 [0,2,0,0,0,0|1,1,0]=4 5911 B14R1.789 COC(=O)c1cccnc1SCCO 62a_100000211926_100000150852 [0,2,0,0,0,0|1,1,0]=4 5912 B14R1.789 COC(=O)c1cccnc1SCCO 62a_100011587185_100000211926 [0,2,0,0,0,0|1,1,0]=4 5913 B14R1.789 COC(=O)c1cccnc1SCSC 62a_100011218213_100000150852 [0,2,0,0,0,0|1,1,0]=4 5914 B14R1.789 COC(=O)c1cccnc1SCSC 62a_100011587185_100011218213 [0,2,0,0,0,0|1,1,0]=4 5915 B14R1.789 COC(=O)c1ccncc1SCC#N 62a_100010008606_100011215382 [0,2,0,0,0,0|1,1,0]=4 5916 B14R1.789 COC(=O)c1ccncc1SCC#N 62a_100011215382_100010008606 [0,2,0,0,0,0|1,1,0]=4 5917 B14R1.789 COC(=O)c1ccncc1SCC=O 62a_100010008606_200015260668 [0,2,0,0,0,0|1,1,0]=4 5918 B14R1.789 COC(=O)c1ccncc1SCC=O 62a_200015260668_100010008606 [0,2,0,0,0,0|1,1,0]=4 5919 B14R1.789 COC(=O)c1ccncc1SCCF 62a_100010008606_100011217306 [0,2,0,0,0,0|1,1,0]=4 5920 B14R1.789 COC(=O)c1ccncc1SCCF 62a_100011217306_100010008606 [0,2,0,0,0,0|1,1,0]=4 5921 B14R1.789 COC(=O)c1ccncc1SCCO 62a_100000211926_100010008606 [0,2,0,0,0,0|1,1,0]=4 5922 B14R1.789 COC(=O)c1ccncc1SCCO 62a_100010008606_100000211926 [0,2,0,0,0,0|1,1,0]=4 5923 B14R1.789 COC(=O)c1ccncc1SCSC 62a_100010008606_100011218213 [0,2,0,0,0,0|1,1,0]=4 5924 B14R1.789 COC(=O)c1ccncc1SCSC 62a_100011218213_100010008606 [0,2,0,0,0,0|1,1,0]=4 5925 B14R1.789 COC(=O)c1cnccc1SCC#N 62a_100011215382_100020629055 [0,2,0,0,0,0|1,1,0]=4 5926 B14R1.789 COC(=O)c1cnccc1SCC#N 62a_100020629055_100011215382 [0,2,0,0,0,0|1,1,0]=4 5927 B14R1.789 COC(=O)c1cnccc1SCC=O 62a_100020629055_200015260668 [0,2,0,0,0,0|1,1,0]=4 5928 B14R1.789 COC(=O)c1cnccc1SCC=O 62a_200015260668_100020629055 [0,2,0,0,0,0|1,1,0]=4 5929 B14R1.789 COC(=O)c1cnccc1SCCF 62a_100011217306_100020629055 [0,2,0,0,0,0|1,1,0]=4 5930 B14R1.789 COC(=O)c1cnccc1SCCF 62a_100020629055_100011217306 [0,2,0,0,0,0|1,1,0]=4 5931 B14R1.789 COC(=O)c1cnccc1SCCO 62a_100000211926_100020629055 [0,2,0,0,0,0|1,1,0]=4 5932 B14R1.789 COC(=O)c1cnccc1SCCO 62a_100020629055_100000211926 [0,2,0,0,0,0|1,1,0]=4 5933 B14R1.789 COC(=O)c1cnccc1SCSC 62a_100011218213_100020629055 [0,2,0,0,0,0|1,1,0]=4 5934 B14R1.789 COC(=O)c1cnccc1SCSC 62a_100020629055_100011218213 [0,2,0,0,0,0|1,1,0]=4 5935 B14R1.789 COC(=O)c1ncccc1CSCF 62a_100010177730_100015361967 [0,2,0,0,0,0|1,1,0]=4 5936 B14R1.789 COC(=O)c1ncccc1CSCF 62a_100015361967_100010177730 [0,2,0,0,0,0|1,1,0]=4 5937 B14R1.789 COC(=O)c1ncccc1OCC#N 7a_100000744052_100011215382 [0,2,0,0,0,0|1,0,0]=3 5938 B14R1.789 COC(=O)c1ncccc1OCC=O 34a_100000744052_200009817547 [0,2,0,0,0,0|1,0,0]=3 5939 B14R1.789 COC(=O)c1ncccc1OCC=O 7a_100000744052_200015260668 [0,2,0,0,0,0|1,0,0]=3 5940 B14R1.789 COC(=O)c1ncccc1OCCF 34a_100000744052_100011217306 [0,2,0,0,0,0|1,0,0]=3 5941 B14R1.789 COC(=O)c1ncccc1OCCF 7a_100000744052_100011217306 [0,2,0,0,0,0|1,0,0]=3 5942 B14R1.789 COC(=O)c1ncccc1OCCO 34a_100000744052_100000211926 [0,2,0,0,0,0|1,0,0]=3 5943 B14R1.789 COC(=O)c1ncccc1OCCO 7a_100000744052_100000211926 [0,2,0,0,0,0|1,0,0]=3 5944 B14R1.789 COC(=O)c1ncccc1OCSC 34a_100000744052_100011218213 [0,2,0,0,0,0|1,0,0]=3 5945 B14R1.789 COC(=O)c1ncccc1SCC#N 62a_100011215382_100011935214 [0,2,0,0,0,0|1,1,0]=4 5946 B14R1.789 COC(=O)c1ncccc1SCC#N 62a_100011935214_100011215382 [0,2,0,0,0,0|1,1,0]=4 5947 B14R1.789 COC(=O)c1ncccc1SCC=O 62a_100011935214_200015260668 [0,2,0,0,0,0|1,1,0]=4 5948 B14R1.789 COC(=O)c1ncccc1SCC=O 62a_200015260668_100011935214 [0,2,0,0,0,0|1,1,0]=4 5949 B14R1.789 COC(=O)c1ncccc1SCCF 62a_100011217306_100011935214 [0,2,0,0,0,0|1,1,0]=4 5950 B14R1.789 COC(=O)c1ncccc1SCCF 62a_100011935214_100011217306 [0,2,0,0,0,0|1,1,0]=4 5951 B14R1.789 COC(=O)c1ncccc1SCCO 62a_100000211926_100011935214 [0,2,0,0,0,0|1,1,0]=4 5952 B14R1.789 COC(=O)c1ncccc1SCCO 62a_100011935214_100000211926 [0,2,0,0,0,0|1,1,0]=4 5953 B14R1.789 COC(=O)c1ncccc1SCSC 62a_100011218213_100011935214 [0,2,0,0,0,0|1,1,0]=4 5954 B14R1.789 COC(=O)c1ncccc1SCSC 62a_100011935214_100011218213 [0,2,0,0,0,0|1,1,0]=4 5955 B14R1.789 COCCc1ccccc1C(=O)OC 34a_100138415774_200010284099 [0,2,0,0,0,0|0,0,0]=2 5956 B14R1.789 COCSc1ccccc1C(=O)NN 62a_100000190081_100000766300 [0,2,0,0,0,0|2,0,0]=4 5957 B14R1.789 COCSc1ccccc1C(=O)NN 62a_100000766300_100000190081 [0,2,0,0,0,0|2,0,0]=4 5958 B14R1.789 COCSc1ccccc1C(=O)OC 62a_100000148710_100000766300 [0,2,0,0,0,0|0,0,0]=2 5959 B14R1.789 COCSc1ccccc1C(=O)OC 62a_100000766300_100000148710 [0,2,0,0,0,0|0,0,0]=2 5960 B14R1.789 COCSc1ccccc1C(=O)O[Na] 62a_100000766300_114855342371 [0,2,0,0,0,0|1,0,0]=3 5961 B14R1.789 COCSc1cccnc1C(=O)OC 62a_100000766300_100011935214 [0,2,0,0,0,0|1,0,0]=3 5962 B14R1.789 COCSc1cccnc1C(=O)OC 62a_100011935214_100000766300 [0,2,0,0,0,0|1,0,0]=3 5963 B14R1.789 COCSc1ccncc1C(=O)OC 62a_100000766300_100020629055 [0,2,0,0,0,0|1,0,0]=3 5964 B14R1.789 COCSc1ccncc1C(=O)OC 62a_100020629055_100000766300 [0,2,0,0,0,0|1,0,0]=3 5965 B14R1.789 COCSc1cnccc1C(=O)OC 62a_100000766300_100010008606 [0,2,0,0,0,0|1,0,0]=3 5966 B14R1.789 COCSc1cnccc1C(=O)OC 62a_100010008606_100000766300 [0,2,0,0,0,0|1,0,0]=3 5967 B14R1.789 COCSc1cncnc1C(=O)OC 62a_100000766300_100012360100 [0,2,0,0,0,0|2,0,0]=4 5968 B14R1.789 COCSc1cncnc1C(=O)OC 62a_100012360100_100000766300 [0,2,0,0,0,0|2,0,0]=4 5969 B14R1.789 COCSc1ncccc1C(=O)OC 62a_100000766300_100000150852 [0,2,0,0,0,0|1,0,0]=3 5970 B14R1.789 COCSc1ncccc1C(=O)OC 62a_100011587185_100000766300 [0,2,0,0,0,0|1,0,0]=3 5971 B14R1.789 COCSc1nccnc1C(=O)OC 62a_100000688410_100000766300 [0,2,0,0,0,0|2,0,0]=4 5972 B14R1.789 COCSc1nccnc1C(=O)OC 62a_100000766300_100000079898 [0,2,0,0,0,0|2,0,0]=4 5973 B14R1.789 COCSc1ncncc1C(=O)OC 62a_100000726419_100000766300 [0,2,0,0,0,0|2,0,0]=4 5974 B14R1.789 COCSc1ncncc1C(=O)OC 62a_100000766300_100000726419 [0,2,0,0,0,0|2,0,0]=4 5975 B14R1.789 CSCOc1ccccc1C(=O)NN 34a_100000186518_100011218213 [0,2,0,0,0,0|2,0,0]=4 5976 B14R1.789 CSCOc1ccccc1C(=O)NO 34a_100000188472_100011218213 [0,2,0,0,0,0|2,0,0]=4 5977 B14R1.789 CSCSc1ccccc1C(=O)O[Na] 62a_100011218213_114855342371 [0,2,0,0,0,0|1,1,0]=4 5978 B14R1.789 N#CCOc1ccccc1C(=O)CBr 7a_100000188908_100011215382 [0,2,0,0,0,0|2,0,0]=4 5979 B14R1.789 N#CCSc1ccccc1C(=O)O[Na] 62a_100011215382_114855342371 [0,2,0,0,0,0|1,1,0]=4 5980 B14R1.789 NNC(=O)c1ccccc1OCC=O 34a_100000186518_200009817547 [0,2,0,0,0,0|2,0,0]=4 5981 B14R1.789 NNC(=O)c1ccccc1OCCF 34a_100000186518_100011217306 [0,2,0,0,0,0|2,0,0]=4 5982 B14R1.789 NNC(=O)c1ccccc1OCCO 34a_100000186518_100000211926 [0,2,0,0,0,0|2,0,0]=4 5983 B14R1.789 O=C(CBr)c1ccccc1OCCF 7a_100000188908_100011217306 [0,2,0,0,0,0|2,0,0]=4 5984 B14R1.789 O=C(CBr)c1ccccc1OCCO 7a_100000188908_100000211926 [0,2,0,0,0,0|2,0,0]=4 5985 B14R1.789 O=C(CF)c1ccccc1OCCO 1458a_200000217288_100015361967 [0,2,0,0,0,0|2,0,0]=4 5986 B14R1.789 O=C(NO)c1ccccc1OCCF 34a_100000188472_100011217306 [0,2,0,0,0,0|2,0,0]=4 5987 B14R1.789 O=C(NO)c1ccccc1OCCO 34a_100000188472_100000211926 [0,2,0,0,0,0|2,0,0]=4 5988 B14R1.789 O=C(O[Na])c1ccccc1SCCF 62a_100011217306_114855342371 [0,2,0,0,0,0|1,1,0]=4 5989 B14R1.789 O=C(O[Na])c1ccccc1SCCO 62a_100000211926_114855342371 [0,2,0,0,0,0|1,1,0]=4 5990 B14R1.789 O=CCOc1ccccc1C(=O)CBr 7a_100000188908_200015260668 [0,2,0,0,0,0|2,0,0]=4 5991 B14R1.789 O=CCOc1ccccc1C(=O)NO 34a_100000188472_200009817547 [0,2,0,0,0,0|2,0,0]=4 5992 B14R1.789 O=CCSc1ccccc1C(=O)O[Na] 62a_200015260668_114855342371 [0,2,0,0,0,0|1,1,0]=4 5993 B14R1.5122 C=C=Cc1cc(ccc1C(=O)OC)Br 271570a_100015277604_100000701758 [0,2,0,0,0,0|1,0,1]=4 5994 B14R1.5122 C=C=Cc1cc(ccc1C(=O)OC)C 271570a_100015277604_100012340597 [0,2,0,0,0,0|1,0,1]=4 5995 B14R1.5122 C=C=Cc1cc(ccc1C(=O)OC)Cl 271570a_100015277604_100000047510 [0,2,0,0,0,0|1,0,1]=4 5996 B14R1.5122 C=C=Cc1cc(ccc1C(=O)OC)F 271570a_100015277604_100000204356 [0,2,0,0,0,0|1,0,1]=4 5997 B14R1.5122 C=C=Cc1cc(ccc1C(=O)OC)N 271570a_100015277604_100009998378 [0,2,0,0,0,0|1,0,1]=4 5998 B14R1.5122 C=C=Cc1cc(ccc1C(=O)OC)O 271570a_100015277604_100010150825 [0,2,0,0,0,0|1,0,1]=4 5999 B14R1.5122 CC=Cc1cc(ccc1C(=O)CC)C 271570a_100016259895_200012349623 [0,2,0,0,0,0|2,0,0]=4 6000 B14R1.5122 CC=Cc1cc(ccc1C(=O)NC)F 271570a_100016259895_200000206206 [0,2,0,0,0,0|2,0,0]=4 6001 B14R1.5122 CC=Cc1cc(ccc1C(=O)OC)Br 271570a_100016259895_100000701758 [0,2,0,0,0,0|1,0,0]=3 6002 B14R1.5122 CC=Cc1cc(ccc1C(=O)OC)C 271570a_100016259895_100012340597 [0,2,0,0,0,0|1,0,0]=3 6003 B14R1.5122 CC=Cc1cc(ccc1C(=O)OC)Cl 271570a_100016259895_100000047510 [0,2,0,0,0,0|1,0,0]=3 6004 B14R1.5122 CC=Cc1cc(ccc1C(=O)OC)F 271570a_100016259895_100000204356 [0,2,0,0,0,0|1,0,0]=3 6005 B14R1.5122 CC=Cc1cc(ccc1C(=O)OC)N 271570a_100016259895_100009998378 [0,2,0,0,0,0|1,0,0]=3 6006 B14R1.5122 CC=Cc1cc(ccc1C(=O)OC)O 271570a_100016259895_100010150825 [0,2,0,0,0,0|1,0,0]=3 6007 B14R1.5122 CC=Cc1cc(cnc1C(=O)OC)C 271570a_100016259895_100010167497 [0,2,0,0,0,0|2,0,0]=4 6008 B14R1.5122 CC=Cc1cc(cnc1C(=O)OC)F 271570a_100016259895_100010189631 [0,2,0,0,0,0|2,0,0]=4 6009 B14R1.5122 CC=Cc1cc(ncc1C(=O)OC)C 271570a_100016259895_100011998247 [0,2,0,0,0,0|2,0,0]=4 6010 B14R1.5122 CC=Cc1nc(ccc1C(=O)OC)C 271570a_100016259895_100000054099 [0,2,0,0,0,0|2,0,0]=4 6011 B14R1.5122 CC=Cc1nc(ccc1C(=O)OC)N 271570a_100016259895_100009865240 [0,2,0,0,0,0|2,0,0]=4 6012 B14R1.5122 CC=Cc1nc(ccc1C(=O)OC)O 271570a_100016259895_100016008356 [0,2,0,0,0,0|2,0,0]=4 6013 B14R1.5122 CCC(=O)c1ccc(cc1SCF)C 62a_100015361967_200012349623 [0,2,0,0,0,0|1,1,0]=4 6014 B14R1.5122 CCC(=O)c1ccc(cc1SCF)C 62a_200012349623_100015361967 [0,2,0,0,0,0|1,1,0]=4 6015 B14R1.5122 CCNc1cc(ccc1C(=O)CC)C 27a_100015525214_200012349623 [0,2,0,0,0,0|2,0,0]=4 6016 B14R1.5122 CCNc1cc(ccc1C(=O)NC)Cl 34a_100000742614_100000210202 [0,2,0,0,0,0|2,0,0]=4 6017 B14R1.5122 CCNc1cc(ccc1C(=O)NC)F 27a_100015525214_200000206206 [0,2,0,0,0,0|2,0,0]=4 6018 B14R1.5122 CCNc1cc(ncc1C(=O)OC)C 27a_100015525214_100011998247 [0,2,0,0,0,0|2,0,0]=4 6019 B14R1.5122 CCOc1cc(ccc1C(=O)CBr)F 7a_100009817053_100000210202 [0,2,0,0,0,0|2,0,0]=4 6020 B14R1.5122 CCOc1cc(ccc1C(=O)NC)N 34a_100000223174_100000210202 [0,2,0,0,0,0|1,0,0]=3 6021 B14R1.5122 CCOc1cc(ccc1C(=O)NC)N 7a_100000223174_100000210202 [0,2,0,0,0,0|1,0,0]=3 6022 B14R1.5122 CCOc1cc(ccc1C(=O)NC)O 271570a_203496583355_200010090708 [0,2,0,0,0,0|1,0,0]=3 6023 B14R1.5122 CCOc1cc(ccc1C(=O)NN)C 34a_100000193368_100000210202 [0,2,0,0,0,0|2,0,0]=4 6024 B14R1.5122 CCOc1cc(ccc1C(=O)NN)Cl 34a_100000193371_100000210202 [0,2,0,0,0,0|2,0,0]=4 6025 B14R1.5122 CCOc1cc(ccc1C(=O)NN)N 34a_200000020778_100000210202 [0,2,0,0,0,0|2,0,0]=4 6026 B14R1.5122 CCOc1cc(ccc1C(=O)NO)C 34a_200000199133_100000210202 [0,2,0,0,0,0|2,0,0]=4 6027 B14R1.5122 CCOc1cc(ccc1C(=O)NO)Cl 34a_100000199135_100000210202 [0,2,0,0,0,0|2,0,0]=4 6028 B14R1.5122 CCOc1cc(ccc1C(=O)OC)Br 34a_100000699699_100000210202 [0,2,0,0,0,0|0,0,0]=2 6029 B14R1.5122 CCOc1cc(ccc1C(=O)OC)Br 7a_100000699699_100000210202 [0,2,0,0,0,0|0,0,0]=2 6030 B14R1.5122 CCOc1cc(ccc1C(=O)OC)C 34a_100000148187_100000210202 [0,2,0,0,0,0|0,0,0]=2 6031 B14R1.5122 CCOc1cc(ccc1C(=O)OC)C 7a_100000148187_100000210202 [0,2,0,0,0,0|0,0,0]=2 6032 B14R1.5122 CCOc1cc(ccc1C(=O)OC)Cl 34a_100000151441_100000210202 [0,2,0,0,0,0|0,0,0]=2 6033 B14R1.5122 CCOc1cc(ccc1C(=O)OC)Cl 7a_100000151441_100000210202 [0,2,0,0,0,0|0,0,0]=2 6034 B14R1.5122 CCOc1cc(ccc1C(=O)OC)F 34a_100011216117_100000210202 [0,2,0,0,0,0|0,0,0]=2 6035 B14R1.5122 CCOc1cc(ccc1C(=O)OC)F 7a_100011216117_100000210202 [0,2,0,0,0,0|0,0,0]=2 6036 B14R1.5122 CCOc1cc(ccc1C(=O)OC)I 7a_100000062286_100000210202 [0,2,0,0,0,0|0,0,0]=2 6037 B14R1.5122 CCOc1cc(ccc1C(=O)OC)N 34a_100000718744_100000210202 [0,2,0,0,0,0|0,0,0]=2 6038 B14R1.5122 CCOc1cc(ccc1C(=O)OC)N 7a_100000718744_100000210202 [0,2,0,0,0,0|0,0,0]=2 6039 B14R1.5122 CCOc1cc(cnc1C(=O)OC)Br 34a_100010071521_100000210202 [0,2,0,0,0,0|1,0,0]=3 6040 B14R1.5122 CCOc1cc(cnc1C(=O)OC)Br 7a_100010071521_100000210202 [0,2,0,0,0,0|1,0,0]=3 6041 B14R1.5122 CCSc1cc(ccc1C(=O)CC)C 62a_100000210202_200012349623 [0,2,0,0,0,0|1,1,0]=4 6042 B14R1.5122 CCSc1cc(ccc1C(=O)CC)C 62a_200012349623_100000210202 [0,2,0,0,0,0|1,1,0]=4 6043 B14R1.5122 CCSc1cc(ccc1C(=O)NC)F 62a_100000210202_200000206206 [0,2,0,0,0,0|1,1,0]=4 6044 B14R1.5122 CCSc1cc(ccc1C(=O)NC)F 62a_200000206206_100000210202 [0,2,0,0,0,0|1,1,0]=4 6045 B14R1.5122 CCSc1cc(ccc1C(=O)OC)Br 62a_100000701758_100000210202 [0,2,0,0,0,0|0,1,0]=3 6046 B14R1.5122 CCSc1cc(ccc1C(=O)OC)C 62a_100000210202_100012340597 [0,2,0,0,0,0|0,1,0]=3 6047 B14R1.5122 CCSc1cc(ccc1C(=O)OC)C 62a_100012340597_100000210202 [0,2,0,0,0,0|0,1,0]=3 6048 B14R1.5122 CCSc1cc(ccc1C(=O)OC)Cl 62a_100000047510_100000210202 [0,2,0,0,0,0|0,1,0]=3 6049 B14R1.5122 CCSc1cc(ccc1C(=O)OC)Cl 62a_100000210202_100000047510 [0,2,0,0,0,0|0,1,0]=3 6050 B14R1.5122 CCSc1cc(ccc1C(=O)OC)F 62a_100000204356_100000210202 [0,2,0,0,0,0|0,1,0]=3 6051 B14R1.5122 CCSc1cc(ccc1C(=O)OC)F 62a_100000210202_100000204356 [0,2,0,0,0,0|0,1,0]=3 6052 B14R1.5122 CCSc1cc(ccc1C(=O)OC)N 62a_100000210202_100010150747 [0,2,0,0,0,0|0,1,0]=3 6053 B14R1.5122 CCSc1cc(ccc1C(=O)OC)N 62a_100009998378_100000210202 [0,2,0,0,0,0|0,1,0]=3 6054 B14R1.5122 CCSc1cc(ccc1C(=O)OC)O 62a_100000210202_100010150825 [0,2,0,0,0,0|0,1,0]=3 6055 B14R1.5122 CCSc1cc(ccc1C(=O)OC)O 62a_100010150825_100000210202 [0,2,0,0,0,0|0,1,0]=3 6056 B14R1.5122 CCSc1cc(cnc1C(=O)OC)C 62a_100000210202_100010167497 [0,2,0,0,0,0|1,1,0]=4 6057 B14R1.5122 CCSc1cc(cnc1C(=O)OC)C 62a_100010167497_100000210202 [0,2,0,0,0,0|1,1,0]=4 6058 B14R1.5122 CCSc1cc(cnc1C(=O)OC)F 62a_100000210202_100010189631 [0,2,0,0,0,0|1,1,0]=4 6059 B14R1.5122 CCSc1cc(cnc1C(=O)OC)F 62a_100010189631_100000210202 [0,2,0,0,0,0|1,1,0]=4 6060 B14R1.5122 CCSc1cc(ncc1C(=O)OC)C 62a_100000210202_100011998247 [0,2,0,0,0,0|1,1,0]=4 6061 B14R1.5122 CCSc1cc(ncc1C(=O)OC)C 62a_100011998247_100000210202 [0,2,0,0,0,0|1,1,0]=4 6062 B14R1.5122 CCSc1cc(ncc1C(=O)OC)Cl 62a_100000210202_100010734300 [0,2,0,0,0,0|1,1,0]=4 6063 B14R1.5122 CCSc1cc(ncc1C(=O)OC)Cl 62a_100010734300_100000210202 [0,2,0,0,0,0|1,1,0]=4 6064 B14R1.5122 CCSc1nc(ccc1C(=O)OC)C 62a_100000054099_100000210202 [0,2,0,0,0,0|1,1,0]=4 6065 B14R1.5122 CCSc1nc(ccc1C(=O)OC)C 62a_100000210202_100000054099 [0,2,0,0,0,0|1,1,0]=4 6066 B14R1.5122 CCSc1nc(ccc1C(=O)OC)N 62a_100000210202_100009865240 [0,2,0,0,0,0|1,1,0]=4 6067 B14R1.5122 CCSc1nc(ccc1C(=O)OC)N 62a_100009865240_100000210202 [0,2,0,0,0,0|1,1,0]=4 6068 B14R1.5122 CNC(=O)c1ccc(cc1NCF)Cl 34a_100000742614_100015361967 [0,2,0,0,0,0|2,0,0]=4 6069 B14R1.5122 CNC(=O)c1ccc(cc1OCF)N 34a_100000223174_100015361967 [0,2,0,0,0,0|1,0,0]=3 6070 B14R1.5122 CNC(=O)c1ccc(cc1OCF)N 7a_100000223174_100015361967 [0,2,0,0,0,0|1,0,0]=3 6071 B14R1.5122 CNC(=O)c1ccc(cc1SCF)F 62a_100015361967_200000206206 [0,2,0,0,0,0|1,1,0]=4 6072 B14R1.5122 CNC(=O)c1ccc(cc1SCF)F 62a_200000206206_100015361967 [0,2,0,0,0,0|1,1,0]=4 6073 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Br 2230a_106832991635_100000693193 [0,2,0,0,0,0|1,0,0]=3 6074 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Br 26a_100102657272_100000699699 [0,2,0,0,0,0|1,0,0]=3 6075 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Br 270004a_106832991635_100000708894 [0,2,0,0,0,0|1,0,0]=3 6076 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Br 34a_100102657272_100000693193 [0,2,0,0,0,0|1,0,0]=3 6077 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Br 7a_106832991635_100000693193 [0,2,0,0,0,0|1,0,0]=3 6078 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Cl 2230a_106832991635_100010239717 [0,2,0,0,0,0|1,0,0]=3 6079 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Cl 34a_100102657272_100010239717 [0,2,0,0,0,0|1,0,0]=3 6080 B14R1.5122 CNCc1cc(ccc1C(=O)OC)Cl 7a_106832991635_100010239717 [0,2,0,0,0,0|1,0,0]=3 6081 B14R1.5122 CNCc1cc(ccc1C(=O)OC)F 2230a_106832991635_100000700702 [0,2,0,0,0,0|1,0,0]=3 6082 B14R1.5122 CNCc1cc(ccc1C(=O)OC)F 34a_100102657272_100000700702 [0,2,0,0,0,0|1,0,0]=3 6083 B14R1.5122 CNCc1cc(ccc1C(=O)OC)F 7a_106832991635_100000700702 [0,2,0,0,0,0|1,0,0]=3 6084 B14R1.5122 COC(=O)c1ccc(cc1CC#N)O 271570a_203496583355_100010241229 [0,2,0,0,0,0|1,0,1]=4 6085 B14R1.5122 COC(=O)c1ccc(cc1CSC)Br 62a_100000693193_200000210301 [0,2,0,0,0,0|0,1,0]=3 6086 B14R1.5122 COC(=O)c1ccc(cc1CSC)Cl 62a_100010239717_200000210301 [0,2,0,0,0,0|0,1,0]=3 6087 B14R1.5122 COC(=O)c1ccc(cc1CSC)Cl 62a_200000210301_100010239717 [0,2,0,0,0,0|0,1,0]=3 6088 B14R1.5122 COC(=O)c1ccc(cc1CSC)F 62a_100000700702_200000210301 [0,2,0,0,0,0|0,1,0]=3 6089 B14R1.5122 COC(=O)c1ccc(cc1CSC)F 62a_200000210301_100000700702 [0,2,0,0,0,0|0,1,0]=3 6090 B14R1.5122 COC(=O)c1ccc(cc1CS[13CH3])Br 62a_100000693193_200025704644 [0,2,0,0,0,0|0,1,0]=3 6091 B14R1.5122 COC(=O)c1ccc(cc1CS[13CH3])Cl 62a_100010239717_200025704644 [0,2,0,0,0,0|0,1,0]=3 6092 B14R1.5122 COC(=O)c1ccc(cc1CS[13CH3])Cl 62a_200025704644_100010239717 [0,2,0,0,0,0|0,1,0]=3 6093 B14R1.5122 COC(=O)c1ccc(cc1CS[13CH3])F 62a_100000700702_200025704644 [0,2,0,0,0,0|0,1,0]=3 6094 B14R1.5122 COC(=O)c1ccc(cc1CS[13CH3])F 62a_200025704644_100000700702 [0,2,0,0,0,0|0,1,0]=3 6095 B14R1.5122 COC(=O)c1ccc(cc1OCF)Br 34a_100000699699_100015361967 [0,2,0,0,0,0|0,0,0]=2 6096 B14R1.5122 COC(=O)c1ccc(cc1OCF)Br 7a_100000699699_100015361967 [0,2,0,0,0,0|0,0,0]=2 6097 B14R1.5122 COC(=O)c1ccc(cc1OCF)C 34a_100000148187_100015361967 [0,2,0,0,0,0|0,0,0]=2 6098 B14R1.5122 COC(=O)c1ccc(cc1OCF)C 7a_100000148187_100015361967 [0,2,0,0,0,0|0,0,0]=2 6099 B14R1.5122 COC(=O)c1ccc(cc1OCF)Cl 34a_100000151441_100015361967 [0,2,0,0,0,0|0,0,0]=2 6100 B14R1.5122 COC(=O)c1ccc(cc1OCF)Cl 7a_100000151441_100015361967 [0,2,0,0,0,0|0,0,0]=2 6101 B14R1.5122 COC(=O)c1ccc(cc1OCF)F 34a_100011216117_100015361967 [0,2,0,0,0,0|0,0,0]=2 6102 B14R1.5122 COC(=O)c1ccc(cc1OCF)F 7a_100011216117_100015361967 [0,2,0,0,0,0|0,0,0]=2 6103 B14R1.5122 COC(=O)c1ccc(cc1OCF)I 7a_100000062286_100015361967 [0,2,0,0,0,0|0,0,0]=2 6104 B14R1.5122 COC(=O)c1ccc(cc1OCF)N 34a_100000718744_100015361967 [0,2,0,0,0,0|0,0,0]=2 6105 B14R1.5122 COC(=O)c1ccc(cc1OCF)N 7a_100000718744_100015361967 [0,2,0,0,0,0|0,0,0]=2 6106 B14R1.5122 COC(=O)c1ccc(cc1SCF)Br 62a_100000701758_100015361967 [0,2,0,0,0,0|0,1,0]=3 6107 B14R1.5122 COC(=O)c1ccc(cc1SCF)C 62a_100012340597_100015361967 [0,2,0,0,0,0|0,1,0]=3 6108 B14R1.5122 COC(=O)c1ccc(cc1SCF)C 62a_100015361967_100012340597 [0,2,0,0,0,0|0,1,0]=3 6109 B14R1.5122 COC(=O)c1ccc(cc1SCF)Cl 62a_100000047510_100015361967 [0,2,0,0,0,0|0,1,0]=3 6110 B14R1.5122 COC(=O)c1ccc(cc1SCF)Cl 62a_100015361967_100000047510 [0,2,0,0,0,0|0,1,0]=3 6111 B14R1.5122 COC(=O)c1ccc(cc1SCF)F 62a_100000204356_100015361967 [0,2,0,0,0,0|0,1,0]=3 6112 B14R1.5122 COC(=O)c1ccc(cc1SCF)F 62a_100015361967_100000204356 [0,2,0,0,0,0|0,1,0]=3 6113 B14R1.5122 COC(=O)c1ccc(cc1SCF)N 62a_100009998378_100015361967 [0,2,0,0,0,0|0,1,0]=3 6114 B14R1.5122 COC(=O)c1ccc(cc1SCF)N 62a_100015361967_100010150747 [0,2,0,0,0,0|0,1,0]=3 6115 B14R1.5122 COC(=O)c1ccc(cc1SCF)O 62a_100010150825_100015361967 [0,2,0,0,0,0|0,1,0]=3 6116 B14R1.5122 COC(=O)c1ccc(cc1SCF)O 62a_100015361967_100010150825 [0,2,0,0,0,0|0,1,0]=3 6117 B14R1.5122 COC(=O)c1ccc(nc1SCF)C 62a_100000054099_100015361967 [0,2,0,0,0,0|1,1,0]=4 6118 B14R1.5122 COC(=O)c1ccc(nc1SCF)C 62a_100015361967_100000054099 [0,2,0,0,0,0|1,1,0]=4 6119 B14R1.5122 COC(=O)c1ccc(nc1SCF)N 62a_100009865240_100015361967 [0,2,0,0,0,0|1,1,0]=4 6120 B14R1.5122 COC(=O)c1ccc(nc1SCF)N 62a_100015361967_100009865240 [0,2,0,0,0,0|1,1,0]=4 6121 B14R1.5122 COC(=O)c1cnc(cc1SCF)C 62a_100011998247_100015361967 [0,2,0,0,0,0|1,1,0]=4 6122 B14R1.5122 COC(=O)c1cnc(cc1SCF)C 62a_100015361967_100011998247 [0,2,0,0,0,0|1,1,0]=4 6123 B14R1.5122 COC(=O)c1cnc(cc1SCF)Cl 62a_100010734300_100015361967 [0,2,0,0,0,0|1,1,0]=4 6124 B14R1.5122 COC(=O)c1cnc(cc1SCF)Cl 62a_100015361967_100010734300 [0,2,0,0,0,0|1,1,0]=4 6125 B14R1.5122 COC(=O)c1ncc(cc1OCF)Br 34a_100010071521_100015361967 [0,2,0,0,0,0|1,0,0]=3 6126 B14R1.5122 COC(=O)c1ncc(cc1OCF)Br 7a_100010071521_100015361967 [0,2,0,0,0,0|1,0,0]=3 6127 B14R1.5122 COC(=O)c1ncc(cc1SCF)C 62a_100010167497_100015361967 [0,2,0,0,0,0|1,1,0]=4 6128 B14R1.5122 COC(=O)c1ncc(cc1SCF)C 62a_100015361967_100010167497 [0,2,0,0,0,0|1,1,0]=4 6129 B14R1.5122 COC(=O)c1ncc(cc1SCF)F 62a_100010189631_100015361967 [0,2,0,0,0,0|1,1,0]=4 6130 B14R1.5122 COC(=O)c1ncc(cc1SCF)F 62a_100015361967_100010189631 [0,2,0,0,0,0|1,1,0]=4 6131 B14R1.5122 COCc1cc(ccc1C(=O)OC)Br 34a_100138415774_100000693193 [0,2,0,0,0,0|0,0,0]=2 6132 B14R1.5122 COCc1cc(ccc1C(=O)OC)Cl 34a_100138415774_100010239717 [0,2,0,0,0,0|0,0,0]=2 6133 B14R1.5122 COCc1cc(ccc1C(=O)OC)F 34a_100138415774_100000700702 [0,2,0,0,0,0|0,0,0]=2 6134 B14R1.5122 Cc1ccc(c(c1)OCF)C(=O)NN 34a_100000193368_100015361967 [0,2,0,0,0,0|2,0,0]=4 6135 B14R1.5122 Cc1ccc(c(c1)OCF)C(=O)NO 34a_200000199133_100015361967 [0,2,0,0,0,0|2,0,0]=4 6136 B14R1.5122 NNC(=O)c1ccc(cc1OCF)Cl 34a_100000193371_100015361967 [0,2,0,0,0,0|2,0,0]=4 6137 B14R1.5122 NNC(=O)c1ccc(cc1OCF)N 34a_200000020778_100015361967 [0,2,0,0,0,0|2,0,0]=4 6138 B14R1.5122 O=C(CBr)c1ccc(cc1OCF)F 7a_100009817053_100015361967 [0,2,0,0,0,0|2,0,0]=4 6139 B14R1.5122 O=C(NO)c1ccc(cc1OCF)Cl 34a_100000199135_100015361967 [0,2,0,0,0,0|2,0,0]=4 6140 B14R1.5220 CCOc1ccccc1S(=O)(=O)NC 270084a_100102657272_100011361751 [0,2,0,0,0,0|2,0,0]=4 6141 B14R1.5220 CCOc1ccccc1S(=O)(=O)NC 274078a_100102657272_100011361751 [0,2,0,0,0,0|2,0,0]=4 6142 B14R1.5238 C=C=Cc1ccc(cc1C(=O)OC)Br 271570a_100015277604_100000148213 [0,2,0,0,0,0|1,0,1]=4 6143 B14R1.5238 C=C=Cc1ccc(cc1C(=O)OC)C 271570a_100015277604_100012339458 [0,2,0,0,0,0|1,0,1]=4 6144 B14R1.5238 C=C=Cc1ccc(cc1C(=O)OC)Cl 271570a_100015277604_100011294804 [0,2,0,0,0,0|1,0,1]=4 6145 B14R1.5238 C=C=Cc1ccc(cc1C(=O)OC)F 271570a_100015277604_100000205820 [0,2,0,0,0,0|1,0,1]=4 6146 B14R1.5238 C=C=Cc1ccc(cc1C(=O)OC)N 271570a_100015277604_100000696289 [0,2,0,0,0,0|1,0,1]=4 6147 B14R1.5238 C=C=Cc1ccc(cc1C(=O)OC)O 271570a_100015277604_100010230369 [0,2,0,0,0,0|1,0,1]=4 6148 B14R1.5238 CC=Cc1ccc(cc1C(=O)NC)Cl 271570a_100016259895_200011279454 [0,2,0,0,0,0|2,0,0]=4 6149 B14R1.5238 CC=Cc1ccc(cc1C(=O)NC)F 271570a_100016259895_200000206232 [0,2,0,0,0,0|2,0,0]=4 6150 B14R1.5238 CC=Cc1ccc(cc1C(=O)OC)Br 271570a_100016259895_100000148213 [0,2,0,0,0,0|1,0,0]=3 6151 B14R1.5238 CC=Cc1ccc(cc1C(=O)OC)C 271570a_100016259895_100012339458 [0,2,0,0,0,0|1,0,0]=3 6152 B14R1.5238 CC=Cc1ccc(cc1C(=O)OC)Cl 271570a_100016259895_100011294804 [0,2,0,0,0,0|1,0,0]=3 6153 B14R1.5238 CC=Cc1ccc(cc1C(=O)OC)F 271570a_100016259895_100000205820 [0,2,0,0,0,0|1,0,0]=3 6154 B14R1.5238 CC=Cc1ccc(cc1C(=O)OC)N 271570a_100016259895_100000696289 [0,2,0,0,0,0|1,0,0]=3 6155 B14R1.5238 CC=Cc1ccc(cc1C(=O)OC)O 271570a_100016259895_100010230369 [0,2,0,0,0,0|1,0,0]=3 6156 B14R1.5238 CC=Cc1ccc(nc1C(=O)OC)N 271570a_100016259895_100009816986 [0,2,0,0,0,0|2,0,0]=4 6157 B14R1.5238 CC=Cc1ccc(nc1C(=O)OC)O 271570a_100016259895_100010189638 [0,2,0,0,0,0|2,0,0]=4 6158 B14R1.5238 CC=Cc1cnc(cc1C(=O)OC)N 271570a_100016259895_100011934820 [0,2,0,0,0,0|2,0,0]=4 6159 B14R1.5238 CC=Cc1cnc(cc1C(=O)OC)O 271570a_100016259895_100009816900 [0,2,0,0,0,0|2,0,0]=4 6160 B14R1.5238 CC=Cc1ncc(cc1C(=O)OC)C 271570a_100016259895_100000085774 [0,2,0,0,0,0|2,0,0]=4 6161 B14R1.5238 CC=Cc1ncc(cc1C(=O)OC)F 271570a_100016259895_100012000215 [0,2,0,0,0,0|2,0,0]=4 6162 B14R1.5238 CC=Cc1ncc(cc1C(=O)OC)N 271570a_100016259895_200012182668 [0,2,0,0,0,0|2,0,0]=4 6163 B14R1.5238 CCC(=O)c1cc(ccc1CNC)Br 26a_100102657272_100000183607 [0,2,0,0,0,0|2,0,0]=4 6164 B14R1.5238 CCC(=O)c1cc(ccc1OCF)Br 7a_100000183607_100015361967 [0,2,0,0,0,0|1,0,0]=3 6165 B14R1.5238 CCC(=O)c1cc(ccc1OCF)C 7a_100000183590_100015361967 [0,2,0,0,0,0|1,0,0]=3 6166 B14R1.5238 CCC(=O)c1cc(ccc1OCF)Cl 7a_100000181482_100015361967 [0,2,0,0,0,0|1,0,0]=3 6167 B14R1.5238 CCC(=O)c1cc(ccc1OCF)F 34a_100000183209_100015361967 [0,2,0,0,0,0|1,0,0]=3 6168 B14R1.5238 CCC(=O)c1cc(ccc1OCF)F 7a_100000183209_100015361967 [0,2,0,0,0,0|1,0,0]=3 6169 B14R1.5238 CCNc1ccc(cc1C(=O)NC)Br 34a_100000690504_100000210202 [0,2,0,0,0,0|2,0,0]=4 6170 B14R1.5238 CCNc1ccc(cc1C(=O)NC)Cl 27a_100015525214_200011279454 [0,2,0,0,0,0|2,0,0]=4 6171 B14R1.5238 CCNc1ccc(cc1C(=O)NC)Cl 34a_100000739363_100000210202 [0,2,0,0,0,0|2,0,0]=4 6172 B14R1.5238 CCNc1ccc(cc1C(=O)NC)F 27a_100015525214_200000206232 [0,2,0,0,0,0|2,0,0]=4 6173 B14R1.5238 CCNc1ncc(cc1C(=O)OC)C 27a_100015525214_100000085774 [0,2,0,0,0,0|2,0,0]=4 6174 B14R1.5238 CCOc1ccc(cc1C(=O)CBr)Br 7a_200009828000_100000210202 [0,2,0,0,0,0|2,0,0]=4 6175 B14R1.5238 CCOc1ccc(cc1C(=O)CBr)Cl 7a_200009816716_100000210202 [0,2,0,0,0,0|2,0,0]=4 6176 B14R1.5238 CCOc1ccc(cc1C(=O)CBr)F 7a_100009814381_100000210202 [0,2,0,0,0,0|2,0,0]=4 6177 B14R1.5238 CCOc1ccc(cc1C(=O)CC)Br 1458a_200000215690_100000210202 [0,2,0,0,0,0|1,0,0]=3 6178 B14R1.5238 CCOc1ccc(cc1C(=O)CC)Br 7a_100000183607_100000210202 [0,2,0,0,0,0|1,0,0]=3 6179 B14R1.5238 CCOc1ccc(cc1C(=O)CC)C 7a_100000183590_100000210202 [0,2,0,0,0,0|1,0,0]=3 6180 B14R1.5238 CCOc1ccc(cc1C(=O)CC)Cl 1458a_200000215692_100000210202 [0,2,0,0,0,0|1,0,0]=3 6181 B14R1.5238 CCOc1ccc(cc1C(=O)CC)Cl 7a_100000181482_100000210202 [0,2,0,0,0,0|1,0,0]=3 6182 B14R1.5238 CCOc1ccc(cc1C(=O)CC)F 34a_100000183209_100000210202 [0,2,0,0,0,0|1,0,0]=3 6183 B14R1.5238 CCOc1ccc(cc1C(=O)CC)F 7a_100000183209_100000210202 [0,2,0,0,0,0|1,0,0]=3 6184 B14R1.5238 CCOc1ccc(cc1C(=O)CCl)F 7a_100000047744_100000210202 [0,2,0,0,0,0|2,0,0]=4 6185 B14R1.5238 CCOc1ccc(cc1C(=O)CF)Br 1458a_200000215690_100015361967 [0,2,0,0,0,0|2,0,0]=4 6186 B14R1.5238 CCOc1ccc(cc1C(=O)CF)Cl 1458a_200000215692_100015361967 [0,2,0,0,0,0|2,0,0]=4 6187 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Br 11a_106832991635_200000215690 [0,2,0,0,0,0|1,0,0]=3 6188 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Br 1626a_100102657272_200000215690 [0,2,0,0,0,0|1,0,0]=3 6189 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Br 240690a_100102657272_200000215690 [0,2,0,0,0,0|1,0,0]=3 6190 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Br 527a_100102657272_200000215690 [0,2,0,0,0,0|1,0,0]=3 6191 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Cl 11a_106832991635_200000215692 [0,2,0,0,0,0|1,0,0]=3 6192 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Cl 1626a_100102657272_200000215692 [0,2,0,0,0,0|1,0,0]=3 6193 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Cl 240690a_100102657272_200000215692 [0,2,0,0,0,0|1,0,0]=3 6194 B14R1.5238 CCOc1ccc(cc1C(=O)NC)Cl 527a_100102657272_200000215692 [0,2,0,0,0,0|1,0,0]=3 6195 B14R1.5238 CCOc1ccc(cc1C(=O)NN)Br 34a_100000193350_100000210202 [0,2,0,0,0,0|2,0,0]=4 6196 B14R1.5238 CCOc1ccc(cc1C(=O)NN)C 34a_200000193374_100000210202 [0,2,0,0,0,0|2,0,0]=4 6197 B14R1.5238 CCOc1ccc(cc1C(=O)NO)Cl 34a_100000199126_100000210202 [0,2,0,0,0,0|2,0,0]=4 6198 B14R1.5238 CCOc1ccc(cc1C(=O)OC)Br 34a_100000149267_100000210202 [0,2,0,0,0,0|0,0,0]=2 6199 B14R1.5238 CCOc1ccc(cc1C(=O)OC)Br 7a_100000149267_100000210202 [0,2,0,0,0,0|0,0,0]=2 6200 B14R1.5238 CCOc1ccc(cc1C(=O)OC)C 34a_100000216618_100000210202 [0,2,0,0,0,0|0,0,0]=2 6201 B14R1.5238 CCOc1ccc(cc1C(=O)OC)C 7a_100000216618_100000210202 [0,2,0,0,0,0|0,0,0]=2 6202 B14R1.5238 CCOc1ccc(cc1C(=O)OC)Cl 34a_100000149278_100000210202 [0,2,0,0,0,0|0,0,0]=2 6203 B14R1.5238 CCOc1ccc(cc1C(=O)OC)Cl 7a_100000149278_100000210202 [0,2,0,0,0,0|0,0,0]=2 6204 B14R1.5238 CCOc1ccc(cc1C(=O)OC)F 34a_100011219540_100000210202 [0,2,0,0,0,0|0,0,0]=2 6205 B14R1.5238 CCOc1ccc(cc1C(=O)OC)F 7a_100011219540_100000210202 [0,2,0,0,0,0|0,0,0]=2 6206 B14R1.5238 CCOc1ccc(cc1C(=O)OC)I 34a_100000149868_100000210202 [0,2,0,0,0,0|0,0,0]=2 6207 B14R1.5238 CCOc1ccc(cc1C(=O)OC)I 7a_100000149868_100000210202 [0,2,0,0,0,0|0,0,0]=2 6208 B14R1.5238 CCOc1ccc(cc1C(=O)OC)N 34a_100011246163_100000210202 [0,2,0,0,0,0|0,0,0]=2 6209 B14R1.5238 CCOc1ccc(cc1C(=O)OC)N 7a_100011246163_100000210202 [0,2,0,0,0,0|0,0,0]=2 6210 B14R1.5238 CCOc1ccc(nc1C(=O)OC)Br 34a_100000697862_100000210202 [0,2,0,0,0,0|1,0,0]=3 6211 B14R1.5238 CCOc1ccc(nc1C(=O)OC)Br 7a_100000697862_100000210202 [0,2,0,0,0,0|1,0,0]=3 6212 B14R1.5238 CCOc1ccc(nc1C(=O)OC)C 34a_100009869402_100000210202 [0,2,0,0,0,0|1,0,0]=3 6213 B14R1.5238 CCOc1ccc(nc1C(=O)OC)C 7a_100009869402_100000210202 [0,2,0,0,0,0|1,0,0]=3 6214 B14R1.5238 CCOc1cnc(cc1C(=O)OC)Br 34a_100010136202_100000210202 [0,2,0,0,0,0|1,0,0]=3 6215 B14R1.5238 CCOc1cnc(cc1C(=O)OC)Br 7a_100010136202_100000210202 [0,2,0,0,0,0|1,0,0]=3 6216 B14R1.5238 CCOc1ncc(cc1C(=O)OC)O 271570a_203496583355_100010175227 [0,2,0,0,0,0|1,0,0]=3 6217 B14R1.5238 CCSc1ccc(cc1C(=O)NC)Cl 62a_100000210202_200011279454 [0,2,0,0,0,0|1,1,0]=4 6218 B14R1.5238 CCSc1ccc(cc1C(=O)NC)Cl 62a_200011279454_100000210202 [0,2,0,0,0,0|1,1,0]=4 6219 B14R1.5238 CCSc1ccc(cc1C(=O)NC)F 62a_100000210202_200000206232 [0,2,0,0,0,0|1,1,0]=4 6220 B14R1.5238 CCSc1ccc(cc1C(=O)NC)F 62a_200000206232_100000210202 [0,2,0,0,0,0|1,1,0]=4 6221 B14R1.5238 CCSc1ccc(cc1C(=O)OC)Br 62a_100000148213_100000210202 [0,2,0,0,0,0|0,1,0]=3 6222 B14R1.5238 CCSc1ccc(cc1C(=O)OC)Br 62a_100000210202_100000148213 [0,2,0,0,0,0|0,1,0]=3 6223 B14R1.5238 CCSc1ccc(cc1C(=O)OC)C 62a_100000210202_100012339458 [0,2,0,0,0,0|0,1,0]=3 6224 B14R1.5238 CCSc1ccc(cc1C(=O)OC)C 62a_100012339458_100000210202 [0,2,0,0,0,0|0,1,0]=3 6225 B14R1.5238 CCSc1ccc(cc1C(=O)OC)Cl 62a_100000210202_100011294804 [0,2,0,0,0,0|0,1,0]=3 6226 B14R1.5238 CCSc1ccc(cc1C(=O)OC)Cl 62a_100011294804_100000210202 [0,2,0,0,0,0|0,1,0]=3 6227 B14R1.5238 CCSc1ccc(cc1C(=O)OC)F 62a_100000205820_100000210202 [0,2,0,0,0,0|0,1,0]=3 6228 B14R1.5238 CCSc1ccc(cc1C(=O)OC)F 62a_100000210202_100000205820 [0,2,0,0,0,0|0,1,0]=3 6229 B14R1.5238 CCSc1ccc(cc1C(=O)OC)N 62a_100000210202_100011794239 [0,2,0,0,0,0|0,1,0]=3 6230 B14R1.5238 CCSc1ccc(cc1C(=O)OC)N 62a_100000696289_100000210202 [0,2,0,0,0,0|0,1,0]=3 6231 B14R1.5238 CCSc1ccc(cc1C(=O)OC)O 62a_100000210202_100010230369 [0,2,0,0,0,0|0,1,0]=3 6232 B14R1.5238 CCSc1ccc(cc1C(=O)OC)O 62a_100010230369_100000210202 [0,2,0,0,0,0|0,1,0]=3 6233 B14R1.5238 CCSc1ccc(nc1C(=O)OC)N 62a_100009816986_100000210202 [0,2,0,0,0,0|1,1,0]=4 6234 B14R1.5238 CCSc1cnc(cc1C(=O)OC)N 62a_100000210202_100011934820 [0,2,0,0,0,0|1,1,0]=4 6235 B14R1.5238 CCSc1cnc(cc1C(=O)OC)N 62a_100011934820_100000210202 [0,2,0,0,0,0|1,1,0]=4 6236 B14R1.5238 CCSc1cnc(cc1C(=O)OC)O 62a_100000210202_100009816900 [0,2,0,0,0,0|1,1,0]=4 6237 B14R1.5238 CCSc1cnc(cc1C(=O)OC)O 62a_100009816900_100000210202 [0,2,0,0,0,0|1,1,0]=4 6238 B14R1.5238 CCSc1ncc(cc1C(=O)OC)C 62a_100000210202_100000085774 [0,2,0,0,0,0|1,1,0]=4 6239 B14R1.5238 CCSc1ncc(cc1C(=O)OC)C 62a_100010162703_100000210202 [0,2,0,0,0,0|1,1,0]=4 6240 B14R1.5238 CCSc1ncc(cc1C(=O)OC)F 62a_100000210202_100012000215 [0,2,0,0,0,0|1,1,0]=4 6241 B14R1.5238 CCSc1ncc(cc1C(=O)OC)F 62a_100012000215_100000210202 [0,2,0,0,0,0|1,1,0]=4 6242 B14R1.5238 CCSc1ncc(cc1C(=O)OC)N 62a_100000210202_200012182668 [0,2,0,0,0,0|1,1,0]=4 6243 B14R1.5238 CCSc1ncc(cc1C(=O)OC)N 62a_200012182668_100000210202 [0,2,0,0,0,0|1,1,0]=4 6244 B14R1.5238 CNC(=O)c1cc(ccc1NCF)Br 34a_100000690504_100015361967 [0,2,0,0,0,0|2,0,0]=4 6245 B14R1.5238 CNC(=O)c1cc(ccc1NCF)Cl 34a_100000739363_100015361967 [0,2,0,0,0,0|2,0,0]=4 6246 B14R1.5238 CNC(=O)c1cc(ccc1SCF)Cl 62a_100015361967_200011279454 [0,2,0,0,0,0|1,1,0]=4 6247 B14R1.5238 CNC(=O)c1cc(ccc1SCF)Cl 62a_200011279454_100015361967 [0,2,0,0,0,0|1,1,0]=4 6248 B14R1.5238 CNC(=O)c1cc(ccc1SCF)F 62a_100015361967_200000206232 [0,2,0,0,0,0|1,1,0]=4 6249 B14R1.5238 CNC(=O)c1cc(ccc1SCF)F 62a_200000206232_100015361967 [0,2,0,0,0,0|1,1,0]=4 6250 B14R1.5238 CNCc1ccc(cc1C(=O)OC)Br 2230a_106832991635_100000728005 [0,2,0,0,0,0|1,0,0]=3 6251 B14R1.5238 CNCc1ccc(cc1C(=O)OC)Br 26a_100102657272_100000149267 [0,2,0,0,0,0|1,0,0]=3 6252 B14R1.5238 CNCc1ccc(cc1C(=O)OC)Br 34a_100102657272_100000728005 [0,2,0,0,0,0|1,0,0]=3 6253 B14R1.5238 CNCc1ccc(cc1C(=O)OC)Br 7a_106832991635_100000728005 [0,2,0,0,0,0|1,0,0]=3 6254 B14R1.5238 CNCc1ccc(cc1C(=O)OC)Cl 2230a_106832991635_100012352085 [0,2,0,0,0,0|1,0,0]=3 6255 B14R1.5238 CNCc1ccc(cc1C(=O)OC)Cl 34a_100102657272_100012352085 [0,2,0,0,0,0|1,0,0]=3 6256 B14R1.5238 CNCc1ccc(cc1C(=O)OC)Cl 7a_106832991635_100012352085 [0,2,0,0,0,0|1,0,0]=3 6257 B14R1.5238 CNCc1ccc(cc1C(=O)OC)F 2230a_106832991635_100000751459 [0,2,0,0,0,0|1,0,0]=3 6258 B14R1.5238 CNCc1ccc(cc1C(=O)OC)F 34a_100102657272_100000751459 [0,2,0,0,0,0|1,0,0]=3 6259 B14R1.5238 CNCc1ccc(cc1C(=O)OC)F 7a_106832991635_100000751459 [0,2,0,0,0,0|1,0,0]=3 6260 B14R1.5238 CNCc1ccc(cc1C(=O)OC)I 2230a_106832991635_100011096949 [0,2,0,0,0,0|1,0,0]=3 6261 B14R1.5238 CNCc1ccc(cc1C(=O)OC)I 34a_100102657272_100011096949 [0,2,0,0,0,0|1,0,0]=3 6262 B14R1.5238 CNCc1ccc(cc1C(=O)OC)I 7a_106832991635_100011096949 [0,2,0,0,0,0|1,0,0]=3 6263 B14R1.5238 COC(=O)c1cc(ccc1CSC)Br 62a_100000728005_200000210301 [0,2,0,0,0,0|0,1,0]=3 6264 B14R1.5238 COC(=O)c1cc(ccc1CSC)Cl 62a_100012352085_200000210301 [0,2,0,0,0,0|0,1,0]=3 6265 B14R1.5238 COC(=O)c1cc(ccc1CSC)Cl 62a_200000210301_100012352085 [0,2,0,0,0,0|0,1,0]=3 6266 B14R1.5238 COC(=O)c1cc(ccc1CSC)F 62a_100000751459_200000210301 [0,2,0,0,0,0|0,1,0]=3 6267 B14R1.5238 COC(=O)c1cc(ccc1CSC)F 62a_200000210301_100000751459 [0,2,0,0,0,0|0,1,0]=3 6268 B14R1.5238 COC(=O)c1cc(ccc1CSC)I 62a_100011096949_200000210301 [0,2,0,0,0,0|0,1,0]=3 6269 B14R1.5238 COC(=O)c1cc(ccc1CSC)I 62a_200000210301_100011096949 [0,2,0,0,0,0|0,1,0]=3 6270 B14R1.5238 COC(=O)c1cc(ccc1CS[13CH3])Br 62a_100000728005_200025704644 [0,2,0,0,0,0|0,1,0]=3 6271 B14R1.5238 COC(=O)c1cc(ccc1CS[13CH3])Cl 62a_100012352085_200025704644 [0,2,0,0,0,0|0,1,0]=3 6272 B14R1.5238 COC(=O)c1cc(ccc1CS[13CH3])Cl 62a_200025704644_100012352085 [0,2,0,0,0,0|0,1,0]=3 6273 B14R1.5238 COC(=O)c1cc(ccc1CS[13CH3])F 62a_100000751459_200025704644 [0,2,0,0,0,0|0,1,0]=3 6274 B14R1.5238 COC(=O)c1cc(ccc1CS[13CH3])F 62a_200025704644_100000751459 [0,2,0,0,0,0|0,1,0]=3 6275 B14R1.5238 COC(=O)c1cc(ccc1CS[13CH3])I 62a_100011096949_200025704644 [0,2,0,0,0,0|0,1,0]=3 6276 B14R1.5238 COC(=O)c1cc(ccc1CS[13CH3])I 62a_200025704644_100011096949 [0,2,0,0,0,0|0,1,0]=3 6277 B14R1.5238 COC(=O)c1cc(ccc1OCF)Br 34a_100000149267_100015361967 [0,2,0,0,0,0|0,0,0]=2 6278 B14R1.5238 COC(=O)c1cc(ccc1OCF)Br 7a_100000149267_100015361967 [0,2,0,0,0,0|0,0,0]=2 6279 B14R1.5238 COC(=O)c1cc(ccc1OCF)C 34a_100000216618_100015361967 [0,2,0,0,0,0|0,0,0]=2 6280 B14R1.5238 COC(=O)c1cc(ccc1OCF)C 7a_100000216618_100015361967 [0,2,0,0,0,0|0,0,0]=2 6281 B14R1.5238 COC(=O)c1cc(ccc1OCF)Cl 34a_100000149278_100015361967 [0,2,0,0,0,0|0,0,0]=2 6282 B14R1.5238 COC(=O)c1cc(ccc1OCF)Cl 7a_100000149278_100015361967 [0,2,0,0,0,0|0,0,0]=2 6283 B14R1.5238 COC(=O)c1cc(ccc1OCF)F 34a_100011219540_100015361967 [0,2,0,0,0,0|0,0,0]=2 6284 B14R1.5238 COC(=O)c1cc(ccc1OCF)F 7a_100011219540_100015361967 [0,2,0,0,0,0|0,0,0]=2 6285 B14R1.5238 COC(=O)c1cc(ccc1OCF)I 34a_100000149868_100015361967 [0,2,0,0,0,0|0,0,0]=2 6286 B14R1.5238 COC(=O)c1cc(ccc1OCF)I 7a_100000149868_100015361967 [0,2,0,0,0,0|0,0,0]=2 6287 B14R1.5238 COC(=O)c1cc(ccc1OCF)N 34a_100011246163_100015361967 [0,2,0,0,0,0|0,0,0]=2 6288 B14R1.5238 COC(=O)c1cc(ccc1OCF)N 7a_100011246163_100015361967 [0,2,0,0,0,0|0,0,0]=2 6289 B14R1.5238 COC(=O)c1cc(ccc1SCF)Br 62a_100000148213_100015361967 [0,2,0,0,0,0|0,1,0]=3 6290 B14R1.5238 COC(=O)c1cc(ccc1SCF)Br 62a_100015361967_100000148213 [0,2,0,0,0,0|0,1,0]=3 6291 B14R1.5238 COC(=O)c1cc(ccc1SCF)C 62a_100012339458_100015361967 [0,2,0,0,0,0|0,1,0]=3 6292 B14R1.5238 COC(=O)c1cc(ccc1SCF)C 62a_100015361967_100012339458 [0,2,0,0,0,0|0,1,0]=3 6293 B14R1.5238 COC(=O)c1cc(ccc1SCF)Cl 62a_100011294804_100015361967 [0,2,0,0,0,0|0,1,0]=3 6294 B14R1.5238 COC(=O)c1cc(ccc1SCF)Cl 62a_100015361967_100011294804 [0,2,0,0,0,0|0,1,0]=3 6295 B14R1.5238 COC(=O)c1cc(ccc1SCF)F 62a_100000205820_100015361967 [0,2,0,0,0,0|0,1,0]=3 6296 B14R1.5238 COC(=O)c1cc(ccc1SCF)F 62a_100015361967_100000205820 [0,2,0,0,0,0|0,1,0]=3 6297 B14R1.5238 COC(=O)c1cc(ccc1SCF)N 62a_100000696289_100015361967 [0,2,0,0,0,0|0,1,0]=3 6298 B14R1.5238 COC(=O)c1cc(ccc1SCF)N 62a_100015361967_100011794239 [0,2,0,0,0,0|0,1,0]=3 6299 B14R1.5238 COC(=O)c1cc(ccc1SCF)O 62a_100010230369_100015361967 [0,2,0,0,0,0|0,1,0]=3 6300 B14R1.5238 COC(=O)c1cc(ccc1SCF)O 62a_100015361967_100010230369 [0,2,0,0,0,0|0,1,0]=3 6301 B14R1.5238 COC(=O)c1cc(cnc1SCF)C 62a_100010162703_100015361967 [0,2,0,0,0,0|1,1,0]=4 6302 B14R1.5238 COC(=O)c1cc(cnc1SCF)C 62a_100015361967_100000085774 [0,2,0,0,0,0|1,1,0]=4 6303 B14R1.5238 COC(=O)c1cc(cnc1SCF)F 62a_100012000215_100015361967 [0,2,0,0,0,0|1,1,0]=4 6304 B14R1.5238 COC(=O)c1cc(cnc1SCF)F 62a_100015361967_100012000215 [0,2,0,0,0,0|1,1,0]=4 6305 B14R1.5238 COC(=O)c1cc(cnc1SCF)N 62a_100015361967_200012182668 [0,2,0,0,0,0|1,1,0]=4 6306 B14R1.5238 COC(=O)c1cc(cnc1SCF)N 62a_200012182668_100015361967 [0,2,0,0,0,0|1,1,0]=4 6307 B14R1.5238 COC(=O)c1cc(ncc1OCF)Br 34a_100010136202_100015361967 [0,2,0,0,0,0|1,0,0]=3 6308 B14R1.5238 COC(=O)c1cc(ncc1OCF)Br 7a_100010136202_100015361967 [0,2,0,0,0,0|1,0,0]=3 6309 B14R1.5238 COC(=O)c1cc(ncc1SCF)N 62a_100011934820_100015361967 [0,2,0,0,0,0|1,1,0]=4 6310 B14R1.5238 COC(=O)c1cc(ncc1SCF)N 62a_100015361967_100011934820 [0,2,0,0,0,0|1,1,0]=4 6311 B14R1.5238 COC(=O)c1cc(ncc1SCF)O 62a_100009816900_100015361967 [0,2,0,0,0,0|1,1,0]=4 6312 B14R1.5238 COC(=O)c1cc(ncc1SCF)O 62a_100015361967_100009816900 [0,2,0,0,0,0|1,1,0]=4 6313 B14R1.5238 COC(=O)c1nc(ccc1OCF)Br 34a_100000697862_100015361967 [0,2,0,0,0,0|1,0,0]=3 6314 B14R1.5238 COC(=O)c1nc(ccc1OCF)Br 7a_100000697862_100015361967 [0,2,0,0,0,0|1,0,0]=3 6315 B14R1.5238 COC(=O)c1nc(ccc1OCF)C 34a_100009869402_100015361967 [0,2,0,0,0,0|1,0,0]=3 6316 B14R1.5238 COC(=O)c1nc(ccc1OCF)C 7a_100009869402_100015361967 [0,2,0,0,0,0|1,0,0]=3 6317 B14R1.5238 COC(=O)c1nc(ccc1SCF)N 62a_100009816986_100015361967 [0,2,0,0,0,0|1,1,0]=4 6318 B14R1.5238 COCc1ccc(cc1C(=O)OC)Br 34a_100138415774_100000728005 [0,2,0,0,0,0|0,0,0]=2 6319 B14R1.5238 COCc1ccc(cc1C(=O)OC)Cl 34a_100138415774_100012352085 [0,2,0,0,0,0|0,0,0]=2 6320 B14R1.5238 COCc1ccc(cc1C(=O)OC)F 34a_100138415774_100000751459 [0,2,0,0,0,0|0,0,0]=2 6321 B14R1.5238 COCc1ccc(cc1C(=O)OC)I 34a_100138415774_100011096949 [0,2,0,0,0,0|0,0,0]=2 6322 B14R1.5238 Cc1ccc(c(c1)C(=O)NN)OCF 34a_200000193374_100015361967 [0,2,0,0,0,0|2,0,0]=4 6323 B14R1.5238 NNC(=O)c1cc(ccc1OCF)Br 34a_100000193350_100015361967 [0,2,0,0,0,0|2,0,0]=4 6324 B14R1.5238 O=C(CBr)c1cc(ccc1OCF)Br 7a_200009828000_100015361967 [0,2,0,0,0,0|2,0,0]=4 6325 B14R1.5238 O=C(CBr)c1cc(ccc1OCF)Cl 7a_200009816716_100015361967 [0,2,0,0,0,0|2,0,0]=4 6326 B14R1.5238 O=C(CBr)c1cc(ccc1OCF)F 7a_100009814381_100015361967 [0,2,0,0,0,0|2,0,0]=4 6327 B14R1.5238 O=C(CCl)c1cc(ccc1OCF)F 7a_100000047744_100015361967 [0,2,0,0,0,0|2,0,0]=4 6328 B14R1.5238 O=C(NO)c1cc(ccc1OCF)Cl 34a_100000199126_100015361967 [0,2,0,0,0,0|2,0,0]=4 6329 B14R1.5566 C=C=Cc1cccc(c1C(=O)OC)Br 271570a_100015277604_100010247157 [0,2,0,0,0,0|1,0,1]=4 6330 B14R1.5566 C=C=Cc1cccc(c1C(=O)OC)C 271570a_100015277604_100010204206 [0,2,0,0,0,0|1,0,1]=4 6331 B14R1.5566 C=C=Cc1cccc(c1C(=O)OC)Cl 271570a_100015277604_100010150959 [0,2,0,0,0,0|1,0,1]=4 6332 B14R1.5566 C=C=Cc1cccc(c1C(=O)OC)F 271570a_100015277604_100000150693 [0,2,0,0,0,0|1,0,1]=4 6333 B14R1.5566 C=C=Cc1cccc(c1C(=O)OC)N 271570a_100015277604_100010253892 [0,2,0,0,0,0|1,0,1]=4 6334 B14R1.5566 CC=Cc1cccc(c1C(=O)NC)F 271570a_100016259895_100012642803 [0,2,0,0,0,0|2,0,0]=4 6335 B14R1.5566 CC=Cc1cccc(c1C(=O)OC)Br 271570a_100016259895_100010247157 [0,2,0,0,0,0|1,0,0]=3 6336 B14R1.5566 CC=Cc1cccc(c1C(=O)OC)C 271570a_100016259895_100010204206 [0,2,0,0,0,0|1,0,0]=3 6337 B14R1.5566 CC=Cc1cccc(c1C(=O)OC)Cl 271570a_100016259895_100010150959 [0,2,0,0,0,0|1,0,0]=3 6338 B14R1.5566 CC=Cc1cccc(c1C(=O)OC)F 271570a_100016259895_100000150693 [0,2,0,0,0,0|1,0,0]=3 6339 B14R1.5566 CC=Cc1cccc(c1C(=O)OC)N 271570a_100016259895_100010253892 [0,2,0,0,0,0|1,0,0]=3 6340 B14R1.5566 CC=Cc1ccnc(c1C(=O)OC)Cl 271570a_100016259895_100010138530 [0,2,0,0,0,0|2,0,0]=4 6341 B14R1.5566 CC=Cc1ccnc(c1C(=O)OC)F 271570a_100016259895_100010150474 [0,2,0,0,0,0|2,0,0]=4 6342 B14R1.5566 CC=Cc1cncc(c1C(=O)OC)F 271570a_100016259895_100010189632 [0,2,0,0,0,0|2,0,0]=4 6343 B14R1.5566 CC=Cc1nccc(c1C(=O)OC)F 271570a_100016259895_100015560809 [0,2,0,0,0,0|2,0,0]=4 6344 B14R1.5566 CC=Cc1nccc(c1C(=O)OC)N 271570a_100016259895_100009985557 [0,2,0,0,0,0|2,0,0]=4 6345 B14R1.5566 CCNc1cccc(c1C(=O)NC)F 27a_100015525214_100012642803 [0,2,0,0,0,0|2,0,0]=4 6346 B14R1.5566 CCOc1cccc(c1C(=O)CC)C 1458a_200009913675_100000210202 [0,2,0,0,0,0|1,0,0]=3 6347 B14R1.5566 CCOc1cccc(c1C(=O)CF)C 1458a_200009913675_100015361967 [0,2,0,0,0,0|2,0,0]=4 6348 B14R1.5566 CCOc1cccc(c1C(=O)NC)C 11a_106832991635_200009913675 [0,2,0,0,0,0|1,0,0]=3 6349 B14R1.5566 CCOc1cccc(c1C(=O)NC)C 1626a_100102657272_200009913675 [0,2,0,0,0,0|1,0,0]=3 6350 B14R1.5566 CCOc1cccc(c1C(=O)NC)C 240690a_100102657272_200009913675 [0,2,0,0,0,0|1,0,0]=3 6351 B14R1.5566 CCOc1cccc(c1C(=O)NC)C 527a_100102657272_200009913675 [0,2,0,0,0,0|1,0,0]=3 6352 B14R1.5566 CCOc1cccc(c1C(=O)OC)C 34a_100000084604_100000210202 [0,2,0,0,0,0|0,0,0]=2 6353 B14R1.5566 CCOc1cccc(c1C(=O)OC)C 7a_100000084604_100000210202 [0,2,0,0,0,0|0,0,0]=2 6354 B14R1.5566 CCOc1cccc(c1C(=O)OC)Cl 34a_200000055445_100000210202 [0,2,0,0,0,0|0,0,0]=2 6355 B14R1.5566 CCOc1cccc(c1C(=O)OC)Cl 7a_200000055445_100000210202 [0,2,0,0,0,0|0,0,0]=2 6356 B14R1.5566 CCOc1cccc(c1C(=O)OC)F 34a_100011216559_100000210202 [0,2,0,0,0,0|0,0,0]=2 6357 B14R1.5566 CCOc1cccc(c1C(=O)OC)F 7a_100011216559_100000210202 [0,2,0,0,0,0|0,0,0]=2 6358 B14R1.5566 CCSc1cccc(c1C(=O)NC)F 62a_100000210202_100012642803 [0,2,0,0,0,0|1,1,0]=4 6359 B14R1.5566 CCSc1cccc(c1C(=O)NC)F 62a_100012642803_100000210202 [0,2,0,0,0,0|1,1,0]=4 6360 B14R1.5566 CCSc1cccc(c1C(=O)OC)Br 62a_100000210202_100010247157 [0,2,0,0,0,0|0,1,0]=3 6361 B14R1.5566 CCSc1cccc(c1C(=O)OC)Br 62a_100010247157_100000210202 [0,2,0,0,0,0|0,1,0]=3 6362 B14R1.5566 CCSc1cccc(c1C(=O)OC)C 62a_100000210202_100010204206 [0,2,0,0,0,0|0,1,0]=3 6363 B14R1.5566 CCSc1cccc(c1C(=O)OC)C 62a_100010204206_100000210202 [0,2,0,0,0,0|0,1,0]=3 6364 B14R1.5566 CCSc1cccc(c1C(=O)OC)Cl 62a_100000210202_100010150959 [0,2,0,0,0,0|0,1,0]=3 6365 B14R1.5566 CCSc1cccc(c1C(=O)OC)Cl 62a_100010150959_100000210202 [0,2,0,0,0,0|0,1,0]=3 6366 B14R1.5566 CCSc1cccc(c1C(=O)OC)F 62a_100000150693_100000210202 [0,2,0,0,0,0|0,1,0]=3 6367 B14R1.5566 CCSc1cccc(c1C(=O)OC)F 62a_100000210202_100000150693 [0,2,0,0,0,0|0,1,0]=3 6368 B14R1.5566 CCSc1cccc(c1C(=O)OC)N 62a_100010253892_100000210202 [0,2,0,0,0,0|0,1,0]=3 6369 B14R1.5566 CCSc1ccnc(c1C(=O)OC)Cl 62a_100000210202_100010138530 [0,2,0,0,0,0|1,1,0]=4 6370 B14R1.5566 CCSc1ccnc(c1C(=O)OC)F 62a_100000210202_100010150474 [0,2,0,0,0,0|1,1,0]=4 6371 B14R1.5566 CCSc1ccnc(c1C(=O)OC)F 62a_100010150474_100000210202 [0,2,0,0,0,0|1,1,0]=4 6372 B14R1.5566 CCSc1cncc(c1C(=O)OC)F 62a_100000210202_100010189632 [0,2,0,0,0,0|1,1,0]=4 6373 B14R1.5566 CCSc1cncc(c1C(=O)OC)F 62a_100010189632_100000210202 [0,2,0,0,0,0|1,1,0]=4 6374 B14R1.5566 CCSc1nccc(c1C(=O)OC)F 62a_100000210202_100015560809 [0,2,0,0,0,0|1,1,0]=4 6375 B14R1.5566 CCSc1nccc(c1C(=O)OC)F 62a_100015560809_100000210202 [0,2,0,0,0,0|1,1,0]=4 6376 B14R1.5566 CCSc1nccc(c1C(=O)OC)N 62a_100000210202_100009985557 [0,2,0,0,0,0|1,1,0]=4 6377 B14R1.5566 CNC(=O)c1c(cccc1SCF)F 62a_100012642803_100015361967 [0,2,0,0,0,0|1,1,0]=4 6378 B14R1.5566 CNC(=O)c1c(cccc1SCF)F 62a_100015361967_100012642803 [0,2,0,0,0,0|1,1,0]=4 6379 B14R1.5566 CNCc1cccc(c1C(=O)OC)I 2230a_106832991635_200010272806 [0,2,0,0,0,0|1,0,0]=3 6380 B14R1.5566 CNCc1cccc(c1C(=O)OC)I 34a_100102657272_200010272806 [0,2,0,0,0,0|1,0,0]=3 6381 B14R1.5566 CNCc1cccc(c1C(=O)OC)I 7a_106832991635_200010272806 [0,2,0,0,0,0|1,0,0]=3 6382 B14R1.5566 COC(=O)c1c(cccc1CSC)I 62a_200000210301_200010272806 [0,2,0,0,0,0|0,1,0]=3 6383 B14R1.5566 COC(=O)c1c(cccc1CSC)I 62a_200010272806_200000210301 [0,2,0,0,0,0|0,1,0]=3 6384 B14R1.5566 COC(=O)c1c(cccc1CS[13CH3])I 62a_200010272806_200025704644 [0,2,0,0,0,0|0,1,0]=3 6385 B14R1.5566 COC(=O)c1c(cccc1CS[13CH3])I 62a_200025704644_200010272806 [0,2,0,0,0,0|0,1,0]=3 6386 B14R1.5566 COC(=O)c1c(cccc1OCF)C 34a_100000084604_100015361967 [0,2,0,0,0,0|0,0,0]=2 6387 B14R1.5566 COC(=O)c1c(cccc1OCF)C 7a_100000084604_100015361967 [0,2,0,0,0,0|0,0,0]=2 6388 B14R1.5566 COC(=O)c1c(cccc1OCF)Cl 34a_200000055445_100015361967 [0,2,0,0,0,0|0,0,0]=2 6389 B14R1.5566 COC(=O)c1c(cccc1OCF)Cl 7a_200000055445_100015361967 [0,2,0,0,0,0|0,0,0]=2 6390 B14R1.5566 COC(=O)c1c(cccc1OCF)F 34a_100011216559_100015361967 [0,2,0,0,0,0|0,0,0]=2 6391 B14R1.5566 COC(=O)c1c(cccc1OCF)F 7a_100011216559_100015361967 [0,2,0,0,0,0|0,0,0]=2 6392 B14R1.5566 COC(=O)c1c(cccc1SCF)Br 62a_100010247157_100015361967 [0,2,0,0,0,0|0,1,0]=3 6393 B14R1.5566 COC(=O)c1c(cccc1SCF)Br 62a_100015361967_100010247157 [0,2,0,0,0,0|0,1,0]=3 6394 B14R1.5566 COC(=O)c1c(cccc1SCF)C 62a_100010204206_100015361967 [0,2,0,0,0,0|0,1,0]=3 6395 B14R1.5566 COC(=O)c1c(cccc1SCF)C 62a_100015361967_100010204206 [0,2,0,0,0,0|0,1,0]=3 6396 B14R1.5566 COC(=O)c1c(cccc1SCF)Cl 62a_100010150959_100015361967 [0,2,0,0,0,0|0,1,0]=3 6397 B14R1.5566 COC(=O)c1c(cccc1SCF)Cl 62a_100015361967_100010150959 [0,2,0,0,0,0|0,1,0]=3 6398 B14R1.5566 COC(=O)c1c(cccc1SCF)F 62a_100000150693_100015361967 [0,2,0,0,0,0|0,1,0]=3 6399 B14R1.5566 COC(=O)c1c(cccc1SCF)F 62a_100015361967_100000150693 [0,2,0,0,0,0|0,1,0]=3 6400 B14R1.5566 COC(=O)c1c(cccc1SCF)N 62a_100010253892_100015361967 [0,2,0,0,0,0|0,1,0]=3 6401 B14R1.5566 COC(=O)c1c(ccnc1Cl)SCF 62a_100015361967_100010138530 [0,2,0,0,0,0|1,1,0]=4 6402 B14R1.5566 COC(=O)c1c(ccnc1F)SCF 62a_100010150474_100015361967 [0,2,0,0,0,0|1,1,0]=4 6403 B14R1.5566 COC(=O)c1c(ccnc1F)SCF 62a_100015361967_100010150474 [0,2,0,0,0,0|1,1,0]=4 6404 B14R1.5566 COC(=O)c1c(ccnc1SCF)F 62a_100015361967_100015560809 [0,2,0,0,0,0|1,1,0]=4 6405 B14R1.5566 COC(=O)c1c(ccnc1SCF)F 62a_100015560809_100015361967 [0,2,0,0,0,0|1,1,0]=4 6406 B14R1.5566 COC(=O)c1c(ccnc1SCF)N 62a_100015361967_100009985557 [0,2,0,0,0,0|1,1,0]=4 6407 B14R1.5566 COC(=O)c1c(cncc1SCF)F 62a_100010189632_100015361967 [0,2,0,0,0,0|1,1,0]=4 6408 B14R1.5566 COC(=O)c1c(cncc1SCF)F 62a_100015361967_100010189632 [0,2,0,0,0,0|1,1,0]=4 6409 B14R1.5566 COCc1cccc(c1C(=O)OC)I 34a_100138415774_200010272806 [0,2,0,0,0,0|0,0,0]=2 6410 B14R1.599 C#CCC(=O)c1cc(ccc1OC)Br 1458a_100000188853_100000184674 [0,2,0,0,0,0|1,0,1]=4 6411 B14R1.599 C#CCC(=O)c1cc(ccc1OC)C 1458a_100000204667_100000184674 [0,2,0,0,0,0|1,0,1]=4 6412 B14R1.599 C#CCC(=O)c1cc(ccc1OC)Cl 1458a_100000211409_100000184674 [0,2,0,0,0,0|1,0,1]=4 6413 B14R1.599 C#CCC(=O)c1cc(ccc1OC)F 1458a_100000735445_100000184674 [0,2,0,0,0,0|1,0,1]=4 6414 B14R1.599 C#CCC(=O)c1cc(ccc1OC)I 1458a_100000230898_100000184674 [0,2,0,0,0,0|1,0,1]=4 6415 B14R1.599 C#CCC(=O)c1cc(ccc1OC)O 1458a_200000100057_100000184674 [0,2,0,0,0,0|1,0,1]=4 6416 B14R1.599 C=CCC(=O)c1cc(ccc1OC)Br 1458a_100000188853_100000210623 [0,2,0,0,0,0|1,0,1]=4 6417 B14R1.599 C=CCC(=O)c1cc(ccc1OC)C 1458a_100000204667_100000210623 [0,2,0,0,0,0|1,0,1]=4 6418 B14R1.599 C=CCC(=O)c1cc(ccc1OC)Cl 1458a_100000211409_100000210623 [0,2,0,0,0,0|1,0,1]=4 6419 B14R1.599 C=CCC(=O)c1cc(ccc1OC)F 1458a_100000735445_100000210623 [0,2,0,0,0,0|1,0,1]=4 6420 B14R1.599 C=CCC(=O)c1cc(ccc1OC)I 1458a_100000230898_100000210623 [0,2,0,0,0,0|1,0,1]=4 6421 B14R1.599 C=CCC(=O)c1cc(ccc1OC)O 1458a_200000100057_100000210623 [0,2,0,0,0,0|1,0,1]=4 6422 B14R1.599 C=Cc1ccc(cc1C(=O)OCC)Br 271570a_100011290941_100000171027 [0,2,0,0,0,0|1,0,1]=4 6423 B14R1.599 C=Cc1ccc(cc1C(=O)OCC)C 271570a_100011290941_200012353901 [0,2,0,0,0,0|1,0,1]=4 6424 B14R1.599 C=Cc1ccc(cc1C(=O)OCC)Cl 271570a_100011290941_100011294803 [0,2,0,0,0,0|1,0,1]=4 6425 B14R1.599 C=Cc1ccc(cc1C(=O)OCC)F 271570a_100011290941_100011206316 [0,2,0,0,0,0|1,0,1]=4 6426 B14R1.599 CCCC(=O)c1cc(ccc1CC)Br 1458a_100012343961_100000210303 [0,2,0,0,0,0|2,0,0]=4 6427 B14R1.599 CCCC(=O)c1cc(ccc1OC)Br 1458a_100000188853_100000210303 [0,2,0,0,0,0|1,0,0]=3 6428 B14R1.599 CCCC(=O)c1cc(ccc1OC)C 1458a_100000204667_100000210303 [0,2,0,0,0,0|1,0,0]=3 6429 B14R1.599 CCCC(=O)c1cc(ccc1OC)Cl 1458a_100000211409_100000210303 [0,2,0,0,0,0|1,0,0]=3 6430 B14R1.599 CCCC(=O)c1cc(ccc1OC)F 1458a_100000735445_100000210303 [0,2,0,0,0,0|1,0,0]=3 6431 B14R1.599 CCCC(=O)c1cc(ccc1OC)I 1458a_100000230898_100000210303 [0,2,0,0,0,0|1,0,0]=3 6432 B14R1.599 CCCC(=O)c1cc(ccc1OC)O 1458a_200000100057_100000210303 [0,2,0,0,0,0|1,0,0]=3 6433 B14R1.599 CCNC(=O)c1cc(ccc1CC)Br 11a_100015525214_100012343961 [0,2,0,0,0,0|2,0,0]=4 6434 B14R1.599 CCNC(=O)c1cc(ccc1CC)Br 240690a_100015525214_100012343961 [0,2,0,0,0,0|2,0,0]=4 6435 B14R1.599 CCNC(=O)c1cc(ccc1CC)Br 527a_100015525214_100012343961 [0,2,0,0,0,0|2,0,0]=4 6436 B14R1.599 CCNC(=O)c1cc(ccc1OC)Br 11a_100015525214_100000188853 [0,2,0,0,0,0|1,0,0]=3 6437 B14R1.599 CCNC(=O)c1cc(ccc1OC)Br 240690a_100015525214_100000188853 [0,2,0,0,0,0|1,0,0]=3 6438 B14R1.599 CCNC(=O)c1cc(ccc1OC)Br 527a_100015525214_100000188853 [0,2,0,0,0,0|1,0,0]=3 6439 B14R1.599 CCNC(=O)c1cc(ccc1OC)C 11a_100015525214_100000204667 [0,2,0,0,0,0|1,0,0]=3 6440 B14R1.599 CCNC(=O)c1cc(ccc1OC)C 240690a_100015525214_100000204667 [0,2,0,0,0,0|1,0,0]=3 6441 B14R1.599 CCNC(=O)c1cc(ccc1OC)C 527a_100015525214_100000204667 [0,2,0,0,0,0|1,0,0]=3 6442 B14R1.599 CCNC(=O)c1cc(ccc1OC)Cl 11a_100015525214_100000211409 [0,2,0,0,0,0|1,0,0]=3 6443 B14R1.599 CCNC(=O)c1cc(ccc1OC)Cl 240690a_100015525214_100000211409 [0,2,0,0,0,0|1,0,0]=3 6444 B14R1.599 CCNC(=O)c1cc(ccc1OC)Cl 527a_100015525214_100000211409 [0,2,0,0,0,0|1,0,0]=3 6445 B14R1.599 CCNC(=O)c1cc(ccc1OC)F 11a_100015525214_100000735445 [0,2,0,0,0,0|1,0,0]=3 6446 B14R1.599 CCNC(=O)c1cc(ccc1OC)F 240690a_100015525214_100000735445 [0,2,0,0,0,0|1,0,0]=3 6447 B14R1.599 CCNC(=O)c1cc(ccc1OC)F 527a_100015525214_100000735445 [0,2,0,0,0,0|1,0,0]=3 6448 B14R1.599 CCNC(=O)c1cc(ccc1OC)I 11a_100015525214_100000230898 [0,2,0,0,0,0|1,0,0]=3 6449 B14R1.599 CCNC(=O)c1cc(ccc1OC)I 240690a_100015525214_100000230898 [0,2,0,0,0,0|1,0,0]=3 6450 B14R1.599 CCNC(=O)c1cc(ccc1OC)I 527a_100015525214_100000230898 [0,2,0,0,0,0|1,0,0]=3 6451 B14R1.599 CCNC(=O)c1cc(ccc1OC)O 240690a_100015525214_200000100057 [0,2,0,0,0,0|1,0,0]=3 6452 B14R1.599 CCNC(=O)c1cc(ccc1OC)O 527a_100015525214_200000100057 [0,2,0,0,0,0|1,0,0]=3 6453 B14R1.599 CCOC(=O)c1cc(ccc1OC)Br 7a_200000174078_200000210301 [0,2,0,0,0,0|0,0,0]=2 6454 B14R1.599 CCOC(=O)c1cc(ccc1OC)C 7a_200011212139_200000210301 [0,2,0,0,0,0|0,0,0]=2 6455 B14R1.599 CCOC(=O)c1cc(ccc1OC)I 7a_200000173011_200000210301 [0,2,0,0,0,0|0,0,0]=2 6456 B14R1.599 CCOC(=O)c1cc(ccc1O[13CH3])Br 7a_200000174078_200025704644 [0,2,0,0,0,0|0,0,0]=2 6457 B14R1.599 CCOC(=O)c1cc(ccc1O[13CH3])C 7a_200011212139_200025704644 [0,2,0,0,0,0|0,0,0]=2 6458 B14R1.599 CCOC(=O)c1cc(ccc1O[13CH3])I 7a_200000173011_200025704644 [0,2,0,0,0,0|0,0,0]=2 6459 B14R1.599 CCOC(=O)c1cc(ccc1SC)Br 62a_100000171027_200000210301 [0,2,0,0,0,0|0,1,0]=3 6460 B14R1.599 CCOC(=O)c1cc(ccc1SC)C 62a_200000210301_200012353901 [0,2,0,0,0,0|0,1,0]=3 6461 B14R1.599 CCOC(=O)c1cc(ccc1SC)C 62a_200012353901_200000210301 [0,2,0,0,0,0|0,1,0]=3 6462 B14R1.599 CCOC(=O)c1cc(ccc1SC)Cl 62a_100011294803_200000210301 [0,2,0,0,0,0|0,1,0]=3 6463 B14R1.599 CCOC(=O)c1cc(ccc1SC)Cl 62a_200000210301_100011294803 [0,2,0,0,0,0|0,1,0]=3 6464 B14R1.599 CCOC(=O)c1cc(ccc1SC)F 62a_100011206316_200000210301 [0,2,0,0,0,0|0,1,0]=3 6465 B14R1.599 CCOC(=O)c1cc(ccc1SC)F 62a_200000210301_100011206316 [0,2,0,0,0,0|0,1,0]=3 6466 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])Br 62a_100000171027_200025704644 [0,2,0,0,0,0|0,1,0]=3 6467 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])C 62a_200012353901_200025704644 [0,2,0,0,0,0|0,1,0]=3 6468 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_200012353901 [0,2,0,0,0,0|0,1,0]=3 6469 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])Cl 62a_100011294803_200025704644 [0,2,0,0,0,0|0,1,0]=3 6470 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])Cl 62a_200025704644_100011294803 [0,2,0,0,0,0|0,1,0]=3 6471 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])F 62a_100011206316_200025704644 [0,2,0,0,0,0|0,1,0]=3 6472 B14R1.599 CCOC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100011206316 [0,2,0,0,0,0|0,1,0]=3 6473 B14R1.599 CCOC(=O)c1cc(cnc1NC)C 27a_100102657272_100009868943 [0,2,0,0,0,0|2,0,0]=4 6474 B14R1.599 CCOC(=O)c1cc(cnc1OC)O 271570a_203496583355_200010189771 [0,2,0,0,0,0|1,0,0]=3 6475 B14R1.599 CCOC(=O)c1cc(cnc1SC)C 62a_200000210301_100009868943 [0,2,0,0,0,0|1,1,0]=4 6476 B14R1.599 CCOC(=O)c1cc(cnc1SC)F 62a_200000210301_100012350521 [0,2,0,0,0,0|1,1,0]=4 6477 B14R1.599 CCOC(=O)c1cc(cnc1SC)N 62a_200000210301_200012352213 [0,2,0,0,0,0|1,1,0]=4 6478 B14R1.599 CCOC(=O)c1cc(cnc1S[13CH3])C 62a_200025704644_100009868943 [0,2,0,0,0,0|1,1,0]=4 6479 B14R1.599 CCOC(=O)c1cc(cnc1S[13CH3])F 62a_200025704644_100012350521 [0,2,0,0,0,0|1,1,0]=4 6480 B14R1.599 CCOC(=O)c1cc(cnc1S[13CH3])N 62a_200025704644_200012352213 [0,2,0,0,0,0|1,1,0]=4 6481 B14R1.599 CCOC(=O)c1nc(ccc1SC)N 62a_100010172133_200000210301 [0,2,0,0,0,0|1,1,0]=4 6482 B14R1.599 CCOC(=O)c1nc(ccc1S[13CH3])N 62a_100010172133_200025704644 [0,2,0,0,0,0|1,1,0]=4 6483 B14R1.599 CCOC(C)c1cc(ccc1OC)Cl 34a_100011598618_100000210202 [0,2,0,0,0,0|1,0,1]=4 6484 B14R1.599 CCOC(C)c1cc(ccc1OC)Cl 7a_100011598618_100000210202 [0,2,0,0,0,0|1,0,1]=4 6485 B14R1.599 CCOC(C)c1cc(ccc1OC)F 34a_100011305292_100000210202 [0,2,0,0,0,0|1,0,1]=4 6486 B14R1.599 CCOC(C)c1cc(ccc1OC)F 7a_100011305292_100000210202 [0,2,0,0,0,0|1,0,1]=4 6487 B14R1.599 CCc1ccc(cc1C(=O)CCF)Br 1458a_100012343961_100011217306 [0,2,0,0,0,0|2,0,0]=4 6488 B14R1.599 CCc1ccc(cc1C(=O)CCO)Br 1458a_100012343961_100000211926 [0,2,0,0,0,0|2,0,0]=4 6489 B14R1.599 CCc1ccc(cc1C(=O)NNC)Br 22a_100016993582_100012343961 [0,2,0,0,0,0|2,0,0]=4 6490 B14R1.599 CNCC(=O)c1cc(ccc1OC)Br 34a_100102657272_200000749383 [0,2,0,0,0,0|1,0,0]=3 6491 B14R1.599 CNCC(=O)c1cc(ccc1OC)Br 7a_106832991635_200000749383 [0,2,0,0,0,0|1,0,0]=3 6492 B14R1.599 CNCC(=O)c1cc(ccc1OC)Cl 7a_106832991635_100012340060 [0,2,0,0,0,0|1,0,0]=3 6493 B14R1.599 CNCC(=O)c1cc(ccc1OC)F 34a_100102657272_100000737820 [0,2,0,0,0,0|1,0,0]=3 6494 B14R1.599 CNCC(=O)c1cc(ccc1OC)F 7a_106832991635_100000737820 [0,2,0,0,0,0|1,0,0]=3 6495 B14R1.599 CNNC(=O)c1cc(ccc1OC)Br 22a_100016993582_100000188853 [0,2,0,0,0,0|1,0,0]=3 6496 B14R1.599 CNNC(=O)c1cc(ccc1OC)C 22a_100016993582_100000204667 [0,2,0,0,0,0|1,0,0]=3 6497 B14R1.599 CNNC(=O)c1cc(ccc1OC)Cl 22a_100016993582_100000211409 [0,2,0,0,0,0|1,0,0]=3 6498 B14R1.599 CNNC(=O)c1cc(ccc1OC)F 22a_100016993582_100000735445 [0,2,0,0,0,0|1,0,0]=3 6499 B14R1.599 CNNC(=O)c1cc(ccc1OC)I 22a_100016993582_100000230898 [0,2,0,0,0,0|1,0,0]=3 6500 B14R1.599 CNNC(=O)c1cc(ccc1OC)O 22a_100016993582_200000100057 [0,2,0,0,0,0|1,0,0]=3 6501 B14R1.599 COCC(=O)c1cc(ccc1OC)Br 34a_100138415774_200000749383 [0,2,0,0,0,0|0,0,0]=2 6502 B14R1.599 COCC(=O)c1cc(ccc1OC)F 34a_100138415774_100000737820 [0,2,0,0,0,0|0,0,0]=2 6503 B14R1.599 COc1ccc(cc1C(=O)CC#N)Br 1458a_100000188853_100011214920 [0,2,0,0,0,0|1,0,1]=4 6504 B14R1.599 COc1ccc(cc1C(=O)CC#N)C 1458a_100000204667_100011214920 [0,2,0,0,0,0|1,0,1]=4 6505 B14R1.599 COc1ccc(cc1C(=O)CC#N)Cl 1458a_100000211409_100011214920 [0,2,0,0,0,0|1,0,1]=4 6506 B14R1.599 COc1ccc(cc1C(=O)CC#N)F 1458a_100000735445_100011214920 [0,2,0,0,0,0|1,0,1]=4 6507 B14R1.599 COc1ccc(cc1C(=O)CC#N)I 1458a_100000230898_100011214920 [0,2,0,0,0,0|1,0,1]=4 6508 B14R1.599 COc1ccc(cc1C(=O)CC#N)O 1458a_200000100057_100011214920 [0,2,0,0,0,0|1,0,1]=4 6509 B14R1.599 COc1ccc(cc1C(=O)CCF)Br 1458a_100000188853_100011217306 [0,2,0,0,0,0|1,0,0]=3 6510 B14R1.599 COc1ccc(cc1C(=O)CCF)C 1458a_100000204667_100011217306 [0,2,0,0,0,0|1,0,0]=3 6511 B14R1.599 COc1ccc(cc1C(=O)CCF)Cl 1458a_100000211409_100011217306 [0,2,0,0,0,0|1,0,0]=3 6512 B14R1.599 COc1ccc(cc1C(=O)CCF)F 1458a_100000735445_100011217306 [0,2,0,0,0,0|1,0,0]=3 6513 B14R1.599 COc1ccc(cc1C(=O)CCF)I 1458a_100000230898_100011217306 [0,2,0,0,0,0|1,0,0]=3 6514 B14R1.599 COc1ccc(cc1C(=O)CCF)O 1458a_200000100057_100011217306 [0,2,0,0,0,0|1,0,0]=3 6515 B14R1.599 COc1ccc(cc1C(=O)CCO)Br 1458a_100000188853_100000211926 [0,2,0,0,0,0|1,0,0]=3 6516 B14R1.599 COc1ccc(cc1C(=O)CCO)C 1458a_100000204667_100000211926 [0,2,0,0,0,0|1,0,0]=3 6517 B14R1.599 COc1ccc(cc1C(=O)CCO)Cl 1458a_100000211409_100000211926 [0,2,0,0,0,0|1,0,0]=3 6518 B14R1.599 COc1ccc(cc1C(=O)CCO)F 1458a_100000735445_100000211926 [0,2,0,0,0,0|1,0,0]=3 6519 B14R1.599 COc1ccc(cc1C(=O)CCO)I 1458a_100000230898_100000211926 [0,2,0,0,0,0|1,0,0]=3 6520 B14R1.599 COc1ccc(cc1C(=O)CCO)O 1458a_200000100057_100000211926 [0,2,0,0,0,0|1,0,0]=3 6521 B14R1.599 COc1ccc(cc1C(=O)CSC)Br 62a_200000749383_200000210301 [0,2,0,0,0,0|0,1,0]=3 6522 B14R1.599 COc1ccc(cc1C(=O)CSC)Cl 62a_100012340060_200000210301 [0,2,0,0,0,0|0,1,0]=3 6523 B14R1.599 COc1ccc(cc1C(=O)CSC)F 62a_100000737820_200000210301 [0,2,0,0,0,0|0,1,0]=3 6524 B14R1.599 COc1ccc(cc1C(=O)CS[13CH3])Br 62a_200000749383_200025704644 [0,2,0,0,0,0|0,1,0]=3 6525 B14R1.599 COc1ccc(cc1C(=O)CS[13CH3])Cl 62a_100012340060_200025704644 [0,2,0,0,0,0|0,1,0]=3 6526 B14R1.599 COc1ccc(cc1C(=O)CS[13CH3])F 62a_100000737820_200025704644 [0,2,0,0,0,0|0,1,0]=3 6527 B14R1.599 COc1ccc(cc1C(C)OCF)Cl 34a_100011598618_100015361967 [0,2,0,0,0,0|1,0,1]=4 6528 B14R1.599 COc1ccc(cc1C(C)OCF)Cl 7a_100011598618_100015361967 [0,2,0,0,0,0|1,0,1]=4 6529 B14R1.599 COc1ccc(cc1C(C)OCF)F 34a_100011305292_100015361967 [0,2,0,0,0,0|1,0,1]=4 6530 B14R1.599 COc1ccc(cc1C(C)OCF)F 7a_100011305292_100015361967 [0,2,0,0,0,0|1,0,1]=4 6531 B14R1.623 C=C(C)c1ccccc1C(=O)NCC 271570a_100000694244_200000155173 [0,2,0,0,0,0|2,0,0]=4 6532 B14R1.623 C=C(C)c1ccccc1C(=O)OCC 271570a_100000694244_100000169879 [0,2,0,0,0,0|1,0,0]=3 6533 B14R1.623 C=C(C)c1cccnc1C(=O)OCC 271570a_100000694244_100012351660 [0,2,0,0,0,0|2,0,0]=4 6534 B14R1.623 C=C(C)c1ccncc1C(=O)OCC 271570a_100000694244_100016987518 [0,2,0,0,0,0|2,0,0]=4 6535 B14R1.623 C=C(C)c1cnccc1C(=O)OCC 271570a_100000694244_100010238393 [0,2,0,0,0,0|2,0,0]=4 6536 B14R1.623 C=C(C)c1ncccc1C(=O)OCC 271570a_100000694244_100000170124 [0,2,0,0,0,0|2,0,0]=4 6537 B14R1.623 CC(C)c1ccccc1C(=O)CCF 1458a_100011941426_100011217306 [0,2,0,0,0,0|2,0,0]=4 6538 B14R1.623 CC(C)c1ccccc1C(=O)CCO 1458a_100011941426_100000211926 [0,2,0,0,0,0|2,0,0]=4 6539 B14R1.623 CCCC(=O)c1ccccc1C(C)C 1458a_100011941426_100000210303 [0,2,0,0,0,0|2,0,0]=4 6540 B14R1.623 CCCC(=O)c1ccccc1N(C)C 1458a_100011218752_100000210303 [0,2,0,0,0,0|2,0,0]=4 6541 B14R1.623 CCCC(=O)c1ccccc1S(=O)C 1458a_100000204632_100000210303 [0,2,0,0,0,0|1,1,0]=4 6542 B14R1.623 CCNC(=O)c1ccccc1C(C)C 11a_100015525214_100011941426 [0,2,0,0,0,0|2,0,0]=4 6543 B14R1.623 CCNC(=O)c1ccccc1C(C)C 240690a_100015525214_100011941426 [0,2,0,0,0,0|2,0,0]=4 6544 B14R1.623 CCNC(=O)c1ccccc1C(C)C 527a_100015525214_100011941426 [0,2,0,0,0,0|2,0,0]=4 6545 B14R1.623 CCNC(=O)c1ccccc1N(C)C 11a_100015525214_100011218752 [0,2,0,0,0,0|2,0,0]=4 6546 B14R1.623 CCNC(=O)c1ccccc1N(C)C 240690a_100015525214_100011218752 [0,2,0,0,0,0|2,0,0]=4 6547 B14R1.623 CCNC(=O)c1ccccc1N(C)C 27a_100102631434_200000155173 [0,2,0,0,0,0|2,0,0]=4 6548 B14R1.623 CCNC(=O)c1ccccc1N(C)C 527a_100015525214_100011218752 [0,2,0,0,0,0|2,0,0]=4 6549 B14R1.623 CCNC(=O)c1ccccc1S(=O)C 240690a_100015525214_100000204632 [0,2,0,0,0,0|1,1,0]=4 6550 B14R1.623 CCOC(=O)c1ccccc1N(C)C 2230a_100160572725_200000210301 [0,2,0,0,0,0|1,0,0]=3 6551 B14R1.623 CCOC(=O)c1ccccc1N(C)C 269982a_100160572725_200000210301 [0,2,0,0,0,0|1,0,0]=3 6552 B14R1.623 CCOC(=O)c1ccccc1N(C)[13CH3] 2230a_100160572725_200025704644 [0,2,0,0,0,0|1,0,0]=3 6553 B14R1.623 CCOC(=O)c1ccccc1N(C)[13CH3] 269982a_100160572725_200025704644 [0,2,0,0,0,0|1,0,0]=3 6554 B14R1.623 CCOC(=O)c1cccnc1N(C)C 27a_100102631434_100000170124 [0,2,0,0,0,0|2,0,0]=4 6555 B14R1.623 CCOC(=O)c1cnccc1N(C)C 27a_100102631434_100016987518 [0,2,0,0,0,0|2,0,0]=4 6556 B14R1.623 CN(C)c1ccccc1C(=O)CCF 1458a_100011218752_100011217306 [0,2,0,0,0,0|2,0,0]=4 6557 B14R1.623 CN(C)c1ccccc1C(=O)CCO 1458a_100011218752_100000211926 [0,2,0,0,0,0|2,0,0]=4 6558 B14R1.623 CNNC(=O)c1ccccc1C(C)C 22a_100016993582_100011941426 [0,2,0,0,0,0|2,0,0]=4 6559 B14R1.623 CNNC(=O)c1ccccc1N(C)C 22a_100016993582_100011218752 [0,2,0,0,0,0|2,0,0]=4 6560 B14R1.623 CNNC(=O)c1ccccc1S(=O)C 22a_100016993582_100000204632 [0,2,0,0,0,0|1,1,0]=4 6561 B14R1.623 CS(=O)c1ccccc1C(=O)CCF 1458a_100000204632_100011217306 [0,2,0,0,0,0|1,1,0]=4 6562 B14R1.623 CS(=O)c1ccccc1C(=O)CCO 1458a_100000204632_100000211926 [0,2,0,0,0,0|1,1,0]=4 6563 B14R1.840 C=C(C)CC(=O)c1ccccc1CC 1458a_100000689120_100000748629 [0,2,0,0,0,0|2,0,0]=4 6564 B14R1.840 C=C(C)CC(=O)c1ccccc1OC 1458a_100000185835_100000748629 [0,2,0,0,0,0|1,0,0]=3 6565 B14R1.840 C=C(C)CC(=O)c1ccccc1SC 1458a_100000183967_100000748629 [0,2,0,0,0,0|1,1,0]=4 6566 B14R1.840 C=C(F)CC(=O)c1ccccc1OC 1458a_100000185835_100009893438 [0,2,0,0,0,0|1,0,1]=4 6567 B14R1.840 C=Cc1ccccc1C(=O)OC(C)C 271570a_100011290941_100000169877 [0,2,0,0,0,0|1,0,1]=4 6568 B14R1.840 CC(=O)CC(=O)c1ccccc1S[13CH3] 62a_200011243946_200025704644 [0,2,0,0,0,0|1,1,0]=4 6569 B14R1.840 CC(C)NC(=O)c1ccccc1S[13CH3] 62a_200000152627_200025704644 [0,2,0,0,0,0|1,1,0]=4 6570 B14R1.840 CC(C)NC(=O)c1ccccc1S[13CH3] 62a_200025704644_200000152627 [0,2,0,0,0,0|1,1,0]=4 6571 B14R1.840 CC(C)OC(=O)c1ccccc1O[13CH3] 34a_100000169923_200025704644 [0,2,0,0,0,0|0,0,0]=2 6572 B14R1.840 CC(C)OC(=O)c1ccccc1O[13CH3] 7a_100000169923_200025704644 [0,2,0,0,0,0|0,0,0]=2 6573 B14R1.840 CC(C)OC(=O)c1ccccc1S[13CH3] 62a_100000169877_200025704644 [0,2,0,0,0,0|0,1,0]=3 6574 B14R1.840 CC(C)OC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000169877 [0,2,0,0,0,0|0,1,0]=3 6575 B14R1.840 CCc1ccccc1C(=O)CC(C)C 1458a_100000689120_100000210624 [0,2,0,0,0,0|2,0,0]=4 6576 B14R1.840 CCc1ccccc1C(=O)CC(C)O 1458a_100000689120_100011218427 [0,2,0,0,0,0|2,0,0]=4 6577 B14R1.840 CCc1ccccc1C(=O)CC(F)F 1458a_100000689120_100011934356 [0,2,0,0,0,0|2,0,0]=4 6578 B14R1.840 CCc1ccccc1C(=O)NC(C)C 11a_100138425928_100000689120 [0,2,0,0,0,0|2,0,0]=4 6579 B14R1.840 CCc1ccccc1C(=O)NC(C)C 1626a_100138425928_100000689120 [0,2,0,0,0,0|2,0,0]=4 6580 B14R1.840 CCc1ccccc1C(=O)NC(C)C 240690a_100138425928_100000689120 [0,2,0,0,0,0|2,0,0]=4 6581 B14R1.840 CCc1ccccc1C(=O)NC(C)C 527a_100138425928_100000689120 [0,2,0,0,0,0|2,0,0]=4 6582 B14R1.840 CNc1ccccc1C(=O)NC(C)C 27a_100102657272_200000152627 [0,2,0,0,0,0|2,0,0]=4 6583 B14R1.840 COc1ccccc1C(=O)CC(=O)C 1458a_100000070787_100000195505 [0,2,0,0,0,0|1,0,0]=3 6584 B14R1.840 COc1ccccc1C(=O)CC(=O)N 1458a_100000185835_100000187820 [0,2,0,0,0,0|1,0,1]=4 6585 B14R1.840 COc1ccccc1C(=O)CC(=O)[O-] 1458a_100000185835_100020667443 [0,2,0,0,0,0|1,0,1]=4 6586 B14R1.840 COc1ccccc1C(=O)CC(C)C 1458a_100000185835_100000210624 [0,2,0,0,0,0|1,0,0]=3 6587 B14R1.840 COc1ccccc1C(=O)CC(C)O 1458a_100000185835_100011218427 [0,2,0,0,0,0|1,0,0]=3 6588 B14R1.840 COc1ccccc1C(=O)CC(F)F 1458a_100000185835_100011934356 [0,2,0,0,0,0|1,0,0]=3 6589 B14R1.840 COc1ccccc1C(=O)CN(C)C 269982a_100102631434_100000195505 [0,2,0,0,0,0|1,0,0]=3 6590 B14R1.840 COc1ccccc1C(=O)C[N+](=O)[O-] 1458a_100000185835_100000761209 [0,2,0,0,0,0|2,0,0]=4 6591 B14R1.840 COc1ccccc1C(=O)NC(C)C 11a_100138425928_100000185835 [0,2,0,0,0,0|1,0,0]=3 6592 B14R1.840 COc1ccccc1C(=O)NC(C)C 1626a_100138425928_100000185835 [0,2,0,0,0,0|1,0,0]=3 6593 B14R1.840 COc1ccccc1C(=O)NC(C)C 240690a_100138425928_100000185835 [0,2,0,0,0,0|1,0,0]=3 6594 B14R1.840 COc1ccccc1C(=O)NC(C)C 527a_100138425928_100000185835 [0,2,0,0,0,0|1,0,0]=3 6595 B14R1.840 COc1ccccc1C(=O)OC(C)C 34a_100000169923_200000210301 [0,2,0,0,0,0|0,0,0]=2 6596 B14R1.840 COc1ccccc1C(=O)OC(C)C 7a_100000169923_200000210301 [0,2,0,0,0,0|0,0,0]=2 6597 B14R1.840 COc1ccccc1C(C)OC(C)C 7a_100000742714_100000210206 [0,2,0,0,0,0|1,0,1]=4 6598 B14R1.840 CSc1ccccc1C(=O)CC(=O)C 62a_200011243946_200000210301 [0,2,0,0,0,0|1,1,0]=4 6599 B14R1.840 CSc1ccccc1C(=O)CC(C)C 1458a_100000183967_100000210624 [0,2,0,0,0,0|1,1,0]=4 6600 B14R1.840 CSc1ccccc1C(=O)CC(C)O 1458a_100000183967_100011218427 [0,2,0,0,0,0|1,1,0]=4 6601 B14R1.840 CSc1ccccc1C(=O)CC(F)F 1458a_100000183967_100011934356 [0,2,0,0,0,0|1,1,0]=4 6602 B14R1.840 CSc1ccccc1C(=O)NC(C)C 11a_100138425928_100000183967 [0,2,0,0,0,0|1,1,0]=4 6603 B14R1.840 CSc1ccccc1C(=O)NC(C)C 1626a_100138425928_100000183967 [0,2,0,0,0,0|1,1,0]=4 6604 B14R1.840 CSc1ccccc1C(=O)NC(C)C 240690a_100138425928_100000183967 [0,2,0,0,0,0|1,1,0]=4 6605 B14R1.840 CSc1ccccc1C(=O)NC(C)C 527a_100138425928_100000183967 [0,2,0,0,0,0|1,1,0]=4 6606 B14R1.840 CSc1ccccc1C(=O)NC(C)C 62a_200000152627_200000210301 [0,2,0,0,0,0|1,1,0]=4 6607 B14R1.840 CSc1ccccc1C(=O)NC(C)C 62a_200000210301_200000152627 [0,2,0,0,0,0|1,1,0]=4 6608 B14R1.840 CSc1ccccc1C(=O)OC(C)C 62a_100000169877_200000210301 [0,2,0,0,0,0|0,1,0]=3 6609 B14R1.840 CSc1ccccc1C(=O)OC(C)C 62a_200000210301_100000169877 [0,2,0,0,0,0|0,1,0]=3 6610 B14R1.939 C#CCCC(=O)c1ccccc1CC 1458a_100000689120_100000753159 [0,2,0,0,0,0|2,0,0]=4 6611 B14R1.939 C#CCCC(=O)c1ccccc1OC 1458a_100000185835_100000753159 [0,2,0,0,0,0|1,0,0]=3 6612 B14R1.939 C#CCCC(=O)c1ccccc1SC 1458a_100000183967_100000753159 [0,2,0,0,0,0|1,1,0]=4 6613 B14R1.939 C#CCNC(=O)c1ccccc1CC 11a_100000212058_100000689120 [0,2,0,0,0,0|2,0,0]=4 6614 B14R1.939 C#CCNC(=O)c1ccccc1CC 1626a_100000212058_100000689120 [0,2,0,0,0,0|2,0,0]=4 6615 B14R1.939 C#CCNC(=O)c1ccccc1CC 240690a_100000212058_100000689120 [0,2,0,0,0,0|2,0,0]=4 6616 B14R1.939 C#CCNC(=O)c1ccccc1CC 527a_100000212058_100000689120 [0,2,0,0,0,0|2,0,0]=4 6617 B14R1.939 C#CCNC(=O)c1ccccc1NC 34a_100000204693_200000210301 [0,2,0,0,0,0|2,0,0]=4 6618 B14R1.939 C#CCNC(=O)c1ccccc1N[13CH3] 34a_100000204693_200025704644 [0,2,0,0,0,0|2,0,0]=4 6619 B14R1.939 C#CCNC(=O)c1ccccc1OC 11a_100000212058_100000185835 [0,2,0,0,0,0|1,0,0]=3 6620 B14R1.939 C#CCNC(=O)c1ccccc1OC 1626a_100000212058_100000185835 [0,2,0,0,0,0|1,0,0]=3 6621 B14R1.939 C#CCNC(=O)c1ccccc1OC 240690a_100000212058_100000185835 [0,2,0,0,0,0|1,0,0]=3 6622 B14R1.939 C#CCNC(=O)c1ccccc1OC 527a_100000212058_100000185835 [0,2,0,0,0,0|1,0,0]=3 6623 B14R1.939 C#CCNC(=O)c1ccccc1SC 11a_100000212058_100000183967 [0,2,0,0,0,0|1,1,0]=4 6624 B14R1.939 C#CCNC(=O)c1ccccc1SC 1626a_100000212058_100000183967 [0,2,0,0,0,0|1,1,0]=4 6625 B14R1.939 C#CCNC(=O)c1ccccc1SC 240690a_100000212058_100000183967 [0,2,0,0,0,0|1,1,0]=4 6626 B14R1.939 C#CCNC(=O)c1ccccc1SC 527a_100000212058_100000183967 [0,2,0,0,0,0|1,1,0]=4 6627 B14R1.939 C#CCOC(C)c1ccccc1OC 7a_100000742714_100000038162 [0,2,0,0,0,0|1,0,1]=4 6628 B14R1.939 C#Cc1ccccc1C(=O)CCOC 1458a_100011243808_100000233755 [0,2,0,0,0,0|1,0,1]=4 6629 B14R1.939 C/C=C/CC(=O)c1ccccc1CC 1458a_100000689120_100102629194 [0,2,0,0,0,0|2,0,0]=4 6630 B14R1.939 C/C=C/CC(=O)c1ccccc1OC 1458a_100000185835_100102629194 [0,2,0,0,0,0|1,0,0]=3 6631 B14R1.939 C/C=C/CC(=O)c1ccccc1SC 1458a_100000183967_100102629194 [0,2,0,0,0,0|1,1,0]=4 6632 B14R1.939 C=CCCC(=O)c1ccccc1CC 1458a_100000689120_100000754431 [0,2,0,0,0,0|2,0,0]=4 6633 B14R1.939 C=CCCC(=O)c1ccccc1OC 1458a_100000185835_100000754431 [0,2,0,0,0,0|1,0,0]=3 6634 B14R1.939 C=CCCC(=O)c1ccccc1SC 1458a_100000183967_100000754431 [0,2,0,0,0,0|1,1,0]=4 6635 B14R1.939 C=CCNC(=O)c1ccccc1CC 1626a_100020586998_100000689120 [0,2,0,0,0,0|2,0,0]=4 6636 B14R1.939 C=CCNC(=O)c1ccccc1CC 240690a_100020586998_100000689120 [0,2,0,0,0,0|2,0,0]=4 6637 B14R1.939 C=CCNC(=O)c1ccccc1CC 527a_100020586998_100000689120 [0,2,0,0,0,0|2,0,0]=4 6638 B14R1.939 C=CCNC(=O)c1ccccc1NC 34a_100000182330_200000210301 [0,2,0,0,0,0|2,0,0]=4 6639 B14R1.939 C=CCNC(=O)c1ccccc1N[13CH3] 34a_100000182330_200025704644 [0,2,0,0,0,0|2,0,0]=4 6640 B14R1.939 C=CCNC(=O)c1ccccc1OC 1626a_100020586998_100000185835 [0,2,0,0,0,0|1,0,0]=3 6641 B14R1.939 C=CCNC(=O)c1ccccc1OC 240690a_100020586998_100000185835 [0,2,0,0,0,0|1,0,0]=3 6642 B14R1.939 C=CCNC(=O)c1ccccc1OC 527a_100020586998_100000185835 [0,2,0,0,0,0|1,0,0]=3 6643 B14R1.939 C=CCNC(=O)c1ccccc1SC 1626a_100020586998_100000183967 [0,2,0,0,0,0|1,1,0]=4 6644 B14R1.939 C=CCNC(=O)c1ccccc1SC 240690a_100020586998_100000183967 [0,2,0,0,0,0|1,1,0]=4 6645 B14R1.939 C=CCNC(=O)c1ccccc1SC 527a_100020586998_100000183967 [0,2,0,0,0,0|1,1,0]=4 6646 B14R1.939 C=CCOC(C)c1ccccc1OC 7a_100000742714_100015514636 [0,2,0,0,0,0|1,0,1]=4 6647 B14R1.939 C=Cc1ccccc1C(=O)CCOC 1458a_100011830265_100000233755 [0,2,0,0,0,0|1,0,1]=4 6648 B14R1.939 CC#CCC(=O)c1ccccc1CC 1458a_100000689120_100000748600 [0,2,0,0,0,0|2,0,0]=4 6649 B14R1.939 CC#CCC(=O)c1ccccc1OC 1458a_100000185835_100000748600 [0,2,0,0,0,0|1,0,0]=3 6650 B14R1.939 CC#CCC(=O)c1ccccc1SC 1458a_100000183967_100000748600 [0,2,0,0,0,0|1,1,0]=4 6651 B14R1.939 CC=CCC(=O)c1ccccc1CC 1458a_100000689120_100000070051 [0,2,0,0,0,0|2,0,0]=4 6652 B14R1.939 CC=CCC(=O)c1ccccc1OC 1458a_100000185835_100000070051 [0,2,0,0,0,0|1,0,0]=3 6653 B14R1.939 CC=CCC(=O)c1ccccc1SC 1458a_100000183967_100000070051 [0,2,0,0,0,0|1,1,0]=4 6654 B14R1.939 CC=NNC(=O)c1ccccc1OC 4a_100000189102_200000210099 [0,2,0,0,0,0|1,0,0]=3 6655 B14R1.939 CCCCC(=O)c1ccccc1CC 1458a_100000689120_100000210211 [0,2,0,0,0,0|2,0,0]=4 6656 B14R1.939 CCCCC(=O)c1ccccc1OC 1458a_100000185835_100000210211 [0,2,0,0,0,0|1,0,0]=3 6657 B14R1.939 CCCCC(=O)c1ccccc1SC 1458a_100000183967_100000210211 [0,2,0,0,0,0|1,1,0]=4 6658 B14R1.939 CCCNC(=O)c1ccccc1CC 11a_100020643023_100000689120 [0,2,0,0,0,0|2,0,0]=4 6659 B14R1.939 CCCNC(=O)c1ccccc1CC 1626a_100020643023_100000689120 [0,2,0,0,0,0|2,0,0]=4 6660 B14R1.939 CCCNC(=O)c1ccccc1CC 240690a_100020643023_100000689120 [0,2,0,0,0,0|2,0,0]=4 6661 B14R1.939 CCCNC(=O)c1ccccc1CC 527a_100020643023_100000689120 [0,2,0,0,0,0|2,0,0]=4 6662 B14R1.939 CCCNC(=O)c1ccccc1NC 27a_100102657272_200000152266 [0,2,0,0,0,0|2,0,0]=4 6663 B14R1.939 CCCNC(=O)c1ccccc1NC 34a_100000181257_200000210301 [0,2,0,0,0,0|2,0,0]=4 6664 B14R1.939 CCCNC(=O)c1ccccc1N[13CH3] 34a_100000181257_200025704644 [0,2,0,0,0,0|2,0,0]=4 6665 B14R1.939 CCCNC(=O)c1ccccc1OC 11a_100020643023_100000185835 [0,2,0,0,0,0|1,0,0]=3 6666 B14R1.939 CCCNC(=O)c1ccccc1OC 1626a_100020643023_100000185835 [0,2,0,0,0,0|1,0,0]=3 6667 B14R1.939 CCCNC(=O)c1ccccc1OC 240690a_100020643023_100000185835 [0,2,0,0,0,0|1,0,0]=3 6668 B14R1.939 CCCNC(=O)c1ccccc1OC 527a_100020643023_100000185835 [0,2,0,0,0,0|1,0,0]=3 6669 B14R1.939 CCCNC(=O)c1ccccc1SC 11a_100020643023_100000183967 [0,2,0,0,0,0|1,1,0]=4 6670 B14R1.939 CCCNC(=O)c1ccccc1SC 1626a_100020643023_100000183967 [0,2,0,0,0,0|1,1,0]=4 6671 B14R1.939 CCCNC(=O)c1ccccc1SC 240690a_100020643023_100000183967 [0,2,0,0,0,0|1,1,0]=4 6672 B14R1.939 CCCNC(=O)c1ccccc1SC 527a_100020643023_100000183967 [0,2,0,0,0,0|1,1,0]=4 6673 B14R1.939 CCCNC(=O)c1ccccc1SC 62a_200000152266_200000210301 [0,2,0,0,0,0|1,1,0]=4 6674 B14R1.939 CCCNC(=O)c1ccccc1SC 62a_200000210301_200000152266 [0,2,0,0,0,0|1,1,0]=4 6675 B14R1.939 CCCNC(=O)c1ccccc1S[13CH3] 62a_200000152266_200025704644 [0,2,0,0,0,0|1,1,0]=4 6676 B14R1.939 CCCNC(=O)c1ccccc1S[13CH3] 62a_200025704644_200000152266 [0,2,0,0,0,0|1,1,0]=4 6677 B14R1.939 CCCOC(=O)c1ccccc1OC 7a_100000169924_200000210301 [0,2,0,0,0,0|0,0,0]=2 6678 B14R1.939 CCCOC(=O)c1ccccc1O[13CH3] 7a_100000169924_200025704644 [0,2,0,0,0,0|0,0,0]=2 6679 B14R1.939 CCCOC(C)c1ccccc1OC 7a_100000742714_100000210303 [0,2,0,0,0,0|1,0,1]=4 6680 B14R1.939 CCNN=C(C)c1ccccc1OC 4a_100000756455_100000173324 [0,2,0,0,0,0|2,0,0]=4 6681 B14R1.939 CCNNC(=O)c1ccccc1CC 22a_100000756455_100000689120 [0,2,0,0,0,0|2,0,0]=4 6682 B14R1.939 CCNNC(=O)c1ccccc1OC 22a_100000756455_100000185835 [0,2,0,0,0,0|1,0,0]=3 6683 B14R1.939 CCNNC(=O)c1ccccc1SC 22a_100000756455_100000183967 [0,2,0,0,0,0|1,1,0]=4 6684 B14R1.939 CCOCC(=O)c1ccccc1OC 34a_100121572206_100000195505 [0,2,0,0,0,0|0,0,0]=2 6685 B14R1.939 CCOCC(N)c1ccccc1OC 34a_100000756845_100000210202 [0,2,0,0,0,0|1,0,1]=4 6686 B14R1.939 CCOCN(C)c1ccccc1OC 269982a_100000219746_100000739092 [0,2,0,0,0,0|2,0,0]=4 6687 B14R1.939 CCSCC(=O)c1ccccc1OC 62a_100000195505_100000210202 [0,2,0,0,0,0|0,1,0]=3 6688 B14R1.939 CCc1ccccc1C(=O)CCC#N 1458a_100000689120_100011215226 [0,2,0,0,0,0|2,0,0]=4 6689 B14R1.939 CCc1ccccc1C(=O)CCCF 1458a_100000689120_100011934791 [0,2,0,0,0,0|2,0,0]=4 6690 B14R1.939 CCc1ccccc1C(=O)CCCO 1458a_100000689120_100011215043 [0,2,0,0,0,0|2,0,0]=4 6691 B14R1.939 CCc1ccccc1C(=O)CCOC 1458a_100000689120_100000233755 [0,2,0,0,0,0|1,0,0]=3 6692 B14R1.939 CCc1ccccc1C(=O)CCSC 1458a_100000689120_100000751147 [0,2,0,0,0,0|1,1,0]=4 6693 B14R1.939 CCc1ccccc1C(=O)NCC#N 1626a_100000734998_100000689120 [0,2,0,0,0,0|2,0,0]=4 6694 B14R1.939 CCc1ccccc1C(=O)NCC#N 527a_100000734998_100000689120 [0,2,0,0,0,0|2,0,0]=4 6695 B14R1.939 CCc1ccccc1C(=O)NCCF 11a_100000724931_100000689120 [0,2,0,0,0,0|2,0,0]=4 6696 B14R1.939 CCc1ccccc1C(=O)NCCF 1626a_100000724931_100000689120 [0,2,0,0,0,0|2,0,0]=4 6697 B14R1.939 CCc1ccccc1C(=O)NCCF 240690a_100000724931_100000689120 [0,2,0,0,0,0|2,0,0]=4 6698 B14R1.939 CCc1ccccc1C(=O)NCCF 527a_100000724931_100000689120 [0,2,0,0,0,0|2,0,0]=4 6699 B14R1.939 CCc1ccccc1C(=O)NCCO 240690a_100000210304_100000689120 [0,2,0,0,0,0|2,0,0]=4 6700 B14R1.939 CCc1ccccc1C(=O)NCCO 527a_100000210304_100000689120 [0,2,0,0,0,0|2,0,0]=4 6701 B14R1.939 CNc1ccccc1C(=O)NCCO 27a_100102657272_200000158863 [0,2,0,0,0,0|2,0,0]=4 6702 B14R1.939 COCCC(=O)c1ccccc1C#N 1458a_100000742908_100000233755 [0,2,0,0,0,0|2,0,0]=4 6703 B14R1.939 COCCC(=O)c1ccccc1CO 1458a_100011301526_100000233755 [0,2,0,0,0,0|2,0,0]=4 6704 B14R1.939 COCCC(=O)c1ccccc1I=O 1458a_100000032414_100000233755 [0,2,0,0,0,0|2,0,0]=4 6705 B14R1.939 COCCC(=O)c1ccccc1OC 1458a_100000185835_100000233755 [0,2,0,0,0,0|0,0,0]=2 6706 B14R1.939 COCCC(=O)c1ccccc1SC 1458a_100000183967_100000233755 [0,2,0,0,0,0|0,1,0]=3 6707 B14R1.939 COCCN(C)c1ccccc1OC 2230a_100000219746_100011201679 [0,2,0,0,0,0|2,0,0]=4 6708 B14R1.939 COCCN(C)c1ccccc1OC 269982a_100000219746_100000233755 [0,2,0,0,0,0|2,0,0]=4 6709 B14R1.939 COCCN(C)c1ccccc1OC 34a_100000219746_100011201679 [0,2,0,0,0,0|2,0,0]=4 6710 B14R1.939 COCNC(C)c1ccccc1OC 2230a_100000185323_100000766300 [0,2,0,0,0,0|1,0,1]=4 6711 B14R1.939 COc1ccccc1C(=O)CCC#N 1458a_100000185835_100011215226 [0,2,0,0,0,0|1,0,0]=3 6712 B14R1.939 COc1ccccc1C(=O)CCCF 1458a_100000185835_100011934791 [0,2,0,0,0,0|1,0,0]=3 6713 B14R1.939 COc1ccccc1C(=O)CCCO 1458a_100000185835_100011215043 [0,2,0,0,0,0|1,0,0]=3 6714 B14R1.939 COc1ccccc1C(=O)CCSC 1458a_100000185835_100000751147 [0,2,0,0,0,0|0,1,0]=3 6715 B14R1.939 COc1ccccc1C(=O)CSC#N 7a_100000069288_200000210301 [0,2,0,0,0,0|0,1,1]=4 6716 B14R1.939 COc1ccccc1C(=O)CSCF 62a_100000195505_100015361967 [0,2,0,0,0,0|0,1,0]=3 6717 B14R1.939 COc1ccccc1C(=O)NCC#N 1626a_100000734998_100000185835 [0,2,0,0,0,0|1,0,0]=3 6718 B14R1.939 COc1ccccc1C(=O)NCC#N 527a_100000734998_100000185835 [0,2,0,0,0,0|1,0,0]=3 6719 B14R1.939 COc1ccccc1C(=O)NCCF 11a_100000724931_100000185835 [0,2,0,0,0,0|1,0,0]=3 6720 B14R1.939 COc1ccccc1C(=O)NCCF 1626a_100000724931_100000185835 [0,2,0,0,0,0|1,0,0]=3 6721 B14R1.939 COc1ccccc1C(=O)NCCF 240690a_100000724931_100000185835 [0,2,0,0,0,0|1,0,0]=3 6722 B14R1.939 COc1ccccc1C(=O)NCCF 527a_100000724931_100000185835 [0,2,0,0,0,0|1,0,0]=3 6723 B14R1.939 COc1ccccc1C(=O)NCCO 240690a_100000210304_100000185835 [0,2,0,0,0,0|1,0,0]=3 6724 B14R1.939 COc1ccccc1C(=O)NCCO 527a_100000210304_100000185835 [0,2,0,0,0,0|1,0,0]=3 6725 B14R1.939 COc1ccccc1C(=O)OCCO 7a_100000229999_200000210301 [0,2,0,0,0,0|0,0,0]=2 6726 B14R1.939 COc1ccccc1C(C)OCC#N 7a_100000742714_100011215382 [0,2,0,0,0,0|1,0,1]=4 6727 B14R1.939 COc1ccccc1C(C)OCC=O 7a_100000742714_200015260668 [0,2,0,0,0,0|1,0,1]=4 6728 B14R1.939 COc1ccccc1C(C)OCCF 7a_100000742714_100011217306 [0,2,0,0,0,0|1,0,1]=4 6729 B14R1.939 COc1ccccc1C(C)OCCO 7a_100000742714_100000211926 [0,2,0,0,0,0|1,0,1]=4 6730 B14R1.939 COc1ccccc1C(N)COCF 34a_100000756845_100015361967 [0,2,0,0,0,0|1,0,1]=4 6731 B14R1.939 CSCCC(=O)c1ccccc1SC 1458a_100000183967_100000751147 [0,2,0,0,0,0|0,2,0]=4 6732 B14R1.939 CSc1ccccc1C(=O)CCC#N 1458a_100000183967_100011215226 [0,2,0,0,0,0|1,1,0]=4 6733 B14R1.939 CSc1ccccc1C(=O)CCCF 1458a_100000183967_100011934791 [0,2,0,0,0,0|1,1,0]=4 6734 B14R1.939 CSc1ccccc1C(=O)CCCO 1458a_100000183967_100011215043 [0,2,0,0,0,0|1,1,0]=4 6735 B14R1.939 CSc1ccccc1C(=O)NCC#N 1626a_100000734998_100000183967 [0,2,0,0,0,0|1,1,0]=4 6736 B14R1.939 CSc1ccccc1C(=O)NCC#N 527a_100000734998_100000183967 [0,2,0,0,0,0|1,1,0]=4 6737 B14R1.939 CSc1ccccc1C(=O)NCCF 11a_100000724931_100000183967 [0,2,0,0,0,0|1,1,0]=4 6738 B14R1.939 CSc1ccccc1C(=O)NCCF 1626a_100000724931_100000183967 [0,2,0,0,0,0|1,1,0]=4 6739 B14R1.939 CSc1ccccc1C(=O)NCCF 240690a_100000724931_100000183967 [0,2,0,0,0,0|1,1,0]=4 6740 B14R1.939 CSc1ccccc1C(=O)NCCF 527a_100000724931_100000183967 [0,2,0,0,0,0|1,1,0]=4 6741 B14R1.939 CSc1ccccc1C(=O)NCCO 240690a_100000210304_100000183967 [0,2,0,0,0,0|1,1,0]=4 6742 B14R1.939 CSc1ccccc1C(=O)NCCO 527a_100000210304_100000183967 [0,2,0,0,0,0|1,1,0]=4 6743 B14R1.939 CSc1ccccc1C(=O)NCCO 62a_200000158863_200000210301 [0,2,0,0,0,0|1,1,0]=4 6744 B14R1.939 CSc1ccccc1C(=O)NCCO 62a_200000210301_200000158863 [0,2,0,0,0,0|1,1,0]=4 6745 B14R1.939 [13CH3]Oc1ccccc1C(=O)CSC#N 7a_100000069288_200025704644 [0,2,0,0,0,0|0,1,1]=4 6746 B14R1.939 [13CH3]Oc1ccccc1C(=O)OCCO 7a_100000229999_200025704644 [0,2,0,0,0,0|0,0,0]=2 6747 B14R1.939 [13CH3]Sc1ccccc1C(=O)NCCO 62a_200000158863_200025704644 [0,2,0,0,0,0|1,1,0]=4 6748 B14R1.939 [13CH3]Sc1ccccc1C(=O)NCCO 62a_200025704644_200000158863 [0,2,0,0,0,0|1,1,0]=4 6749 B14R1.3188 CCNS(=O)(=O)c1ccccc1OC 270084a_100015525214_100000183792 [0,2,0,0,0,0|2,0,0]=4 6750 B14R1.3188 CCNS(=O)(=O)c1ccccc1OC 274078a_100015525214_100000183792 [0,2,0,0,0,0|2,0,0]=4 6751 B14R1.7233 C#CCC(=O)c1ccc(cc1OC)Br 1458a_100000748230_100000184674 [0,2,0,0,0,0|1,0,1]=4 6752 B14R1.7233 C#CCC(=O)c1ccc(cc1OC)C 1458a_100000217210_100000184674 [0,2,0,0,0,0|1,0,1]=4 6753 B14R1.7233 C#CCC(=O)c1ccc(cc1OC)Cl 1458a_100000217211_100000184674 [0,2,0,0,0,0|1,0,1]=4 6754 B14R1.7233 C#CCC(=O)c1ccc(cc1OC)F 1458a_100000239970_100000184674 [0,2,0,0,0,0|1,0,1]=4 6755 B14R1.7233 C#CCC(=O)c1ccc(cc1OC)I 1458a_100012353712_100000184674 [0,2,0,0,0,0|1,0,1]=4 6756 B14R1.7233 C=CCC(=O)c1ccc(cc1OC)Br 1458a_100000748230_100000210623 [0,2,0,0,0,0|1,0,1]=4 6757 B14R1.7233 C=CCC(=O)c1ccc(cc1OC)C 1458a_100000217210_100000210623 [0,2,0,0,0,0|1,0,1]=4 6758 B14R1.7233 C=CCC(=O)c1ccc(cc1OC)Cl 1458a_100000217211_100000210623 [0,2,0,0,0,0|1,0,1]=4 6759 B14R1.7233 C=CCC(=O)c1ccc(cc1OC)F 1458a_100000239970_100000210623 [0,2,0,0,0,0|1,0,1]=4 6760 B14R1.7233 C=CCC(=O)c1ccc(cc1OC)I 1458a_100012353712_100000210623 [0,2,0,0,0,0|1,0,1]=4 6761 B14R1.7233 C=Cc1cc(ccc1C(=O)OCC)C 271570a_100011290941_200012185120 [0,2,0,0,0,0|1,0,1]=4 6762 B14R1.7233 C=Cc1cc(ccc1C(=O)OCC)Cl 271570a_100011290941_100000047509 [0,2,0,0,0,0|1,0,1]=4 6763 B14R1.7233 C=Cc1cc(ccc1C(=O)OCC)F 271570a_100011290941_100011206307 [0,2,0,0,0,0|1,0,1]=4 6764 B14R1.7233 CCCC(=O)c1ccc(cc1CC)Br 1458a_200012349896_100000210303 [0,2,0,0,0,0|2,0,0]=4 6765 B14R1.7233 CCCC(=O)c1ccc(cc1OC)Br 1458a_100000748230_100000210303 [0,2,0,0,0,0|1,0,0]=3 6766 B14R1.7233 CCCC(=O)c1ccc(cc1OC)C 1458a_100000217210_100000210303 [0,2,0,0,0,0|1,0,0]=3 6767 B14R1.7233 CCCC(=O)c1ccc(cc1OC)Cl 1458a_100000217211_100000210303 [0,2,0,0,0,0|1,0,0]=3 6768 B14R1.7233 CCCC(=O)c1ccc(cc1OC)F 1458a_100000239970_100000210303 [0,2,0,0,0,0|1,0,0]=3 6769 B14R1.7233 CCCC(=O)c1ccc(cc1OC)I 1458a_100012353712_100000210303 [0,2,0,0,0,0|1,0,0]=3 6770 B14R1.7233 CCNC(=O)c1ccc(cc1CC)Br 11a_100015525214_200012349896 [0,2,0,0,0,0|2,0,0]=4 6771 B14R1.7233 CCNC(=O)c1ccc(cc1CC)Br 240690a_100015525214_200012349896 [0,2,0,0,0,0|2,0,0]=4 6772 B14R1.7233 CCNC(=O)c1ccc(cc1CC)Br 527a_100015525214_200012349896 [0,2,0,0,0,0|2,0,0]=4 6773 B14R1.7233 CCNC(=O)c1ccc(cc1NC)F 27a_100102657272_100000203945 [0,2,0,0,0,0|2,0,0]=4 6774 B14R1.7233 CCNC(=O)c1ccc(cc1OC)Br 11a_100015525214_100000748230 [0,2,0,0,0,0|1,0,0]=3 6775 B14R1.7233 CCNC(=O)c1ccc(cc1OC)Br 240690a_100015525214_100000748230 [0,2,0,0,0,0|1,0,0]=3 6776 B14R1.7233 CCNC(=O)c1ccc(cc1OC)Br 527a_100015525214_100000748230 [0,2,0,0,0,0|1,0,0]=3 6777 B14R1.7233 CCNC(=O)c1ccc(cc1OC)C 11a_100015525214_100000217210 [0,2,0,0,0,0|1,0,0]=3 6778 B14R1.7233 CCNC(=O)c1ccc(cc1OC)C 240690a_100015525214_100000217210 [0,2,0,0,0,0|1,0,0]=3 6779 B14R1.7233 CCNC(=O)c1ccc(cc1OC)C 527a_100015525214_100000217210 [0,2,0,0,0,0|1,0,0]=3 6780 B14R1.7233 CCNC(=O)c1ccc(cc1OC)Cl 11a_100015525214_100000217211 [0,2,0,0,0,0|1,0,0]=3 6781 B14R1.7233 CCNC(=O)c1ccc(cc1OC)Cl 240690a_100015525214_100000217211 [0,2,0,0,0,0|1,0,0]=3 6782 B14R1.7233 CCNC(=O)c1ccc(cc1OC)Cl 527a_100015525214_100000217211 [0,2,0,0,0,0|1,0,0]=3 6783 B14R1.7233 CCNC(=O)c1ccc(cc1OC)F 11a_100015525214_100000239970 [0,2,0,0,0,0|1,0,0]=3 6784 B14R1.7233 CCNC(=O)c1ccc(cc1OC)F 240690a_100015525214_100000239970 [0,2,0,0,0,0|1,0,0]=3 6785 B14R1.7233 CCNC(=O)c1ccc(cc1OC)F 527a_100015525214_100000239970 [0,2,0,0,0,0|1,0,0]=3 6786 B14R1.7233 CCNC(=O)c1ccc(cc1OC)I 11a_100015525214_100012353712 [0,2,0,0,0,0|1,0,0]=3 6787 B14R1.7233 CCNC(=O)c1ccc(cc1OC)I 240690a_100015525214_100012353712 [0,2,0,0,0,0|1,0,0]=3 6788 B14R1.7233 CCNC(=O)c1ccc(cc1OC)I 527a_100015525214_100012353712 [0,2,0,0,0,0|1,0,0]=3 6789 B14R1.7233 CCNC(=O)c1ccc(cc1OC)O 271570a_203496583355_200011638406 [0,2,0,0,0,0|1,0,0]=3 6790 B14R1.7233 CCNC(=O)c1ccc(cc1SC)F 62a_100000203945_200000210301 [0,2,0,0,0,0|1,1,0]=4 6791 B14R1.7233 CCNC(=O)c1ccc(cc1SC)F 62a_200000210301_100000203945 [0,2,0,0,0,0|1,1,0]=4 6792 B14R1.7233 CCNC(=O)c1ccc(cc1S[13CH3])F 62a_100000203945_200025704644 [0,2,0,0,0,0|1,1,0]=4 6793 B14R1.7233 CCNC(=O)c1ccc(cc1S[13CH3])F 62a_200025704644_100000203945 [0,2,0,0,0,0|1,1,0]=4 6794 B14R1.7233 CCOC(=O)c1ccc(cc1NC)F 27a_100102657272_100011206307 [0,2,0,0,0,0|1,0,0]=3 6795 B14R1.7233 CCOC(=O)c1ccc(cc1OC)C 7a_200000170860_200000210301 [0,2,0,0,0,0|0,0,0]=2 6796 B14R1.7233 CCOC(=O)c1ccc(cc1OC)F 7a_100011997398_200000210301 [0,2,0,0,0,0|0,0,0]=2 6797 B14R1.7233 CCOC(=O)c1ccc(cc1O[13CH3])C 7a_200000170860_200025704644 [0,2,0,0,0,0|0,0,0]=2 6798 B14R1.7233 CCOC(=O)c1ccc(cc1O[13CH3])F 7a_100011997398_200025704644 [0,2,0,0,0,0|0,0,0]=2 6799 B14R1.7233 CCOC(=O)c1ccc(cc1SC)C 62a_200000210301_200012185120 [0,2,0,0,0,0|0,1,0]=3 6800 B14R1.7233 CCOC(=O)c1ccc(cc1SC)C 62a_200012350802_200000210301 [0,2,0,0,0,0|0,1,0]=3 6801 B14R1.7233 CCOC(=O)c1ccc(cc1SC)Cl 62a_100000047509_200000210301 [0,2,0,0,0,0|0,1,0]=3 6802 B14R1.7233 CCOC(=O)c1ccc(cc1SC)Cl 62a_200000210301_100000047509 [0,2,0,0,0,0|0,1,0]=3 6803 B14R1.7233 CCOC(=O)c1ccc(cc1SC)F 62a_100011206307_200000210301 [0,2,0,0,0,0|0,1,0]=3 6804 B14R1.7233 CCOC(=O)c1ccc(cc1SC)F 62a_200000210301_100011206307 [0,2,0,0,0,0|0,1,0]=3 6805 B14R1.7233 CCOC(=O)c1ccc(cc1S[13CH3])C 62a_200012350802_200025704644 [0,2,0,0,0,0|0,1,0]=3 6806 B14R1.7233 CCOC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_200012185120 [0,2,0,0,0,0|0,1,0]=3 6807 B14R1.7233 CCOC(=O)c1ccc(cc1S[13CH3])Cl 62a_100000047509_200025704644 [0,2,0,0,0,0|0,1,0]=3 6808 B14R1.7233 CCOC(=O)c1ccc(cc1S[13CH3])Cl 62a_200025704644_100000047509 [0,2,0,0,0,0|0,1,0]=3 6809 B14R1.7233 CCOC(=O)c1ccc(cc1S[13CH3])F 62a_100011206307_200025704644 [0,2,0,0,0,0|0,1,0]=3 6810 B14R1.7233 CCOC(=O)c1ccc(cc1S[13CH3])F 62a_200025704644_100011206307 [0,2,0,0,0,0|0,1,0]=3 6811 B14R1.7233 CCOC(=O)c1ncc(cc1OC)Br 7a_100016103240_200000210301 [0,2,0,0,0,0|1,0,0]=3 6812 B14R1.7233 CCOC(=O)c1ncc(cc1O[13CH3])Br 7a_100016103240_200025704644 [0,2,0,0,0,0|1,0,0]=3 6813 B14R1.7233 CCc1cc(ccc1C(=O)CCF)Br 1458a_200012349896_100011217306 [0,2,0,0,0,0|2,0,0]=4 6814 B14R1.7233 CCc1cc(ccc1C(=O)CCO)Br 1458a_200012349896_100000211926 [0,2,0,0,0,0|2,0,0]=4 6815 B14R1.7233 CCc1cc(ccc1C(=O)NNC)Br 22a_100016993582_200012349896 [0,2,0,0,0,0|2,0,0]=4 6816 B14R1.7233 CNCC(=O)c1ccc(cc1OC)Cl 7a_106832991635_100012344415 [0,2,0,0,0,0|1,0,0]=3 6817 B14R1.7233 CNNC(=O)c1ccc(cc1OC)Br 22a_100016993582_100000748230 [0,2,0,0,0,0|1,0,0]=3 6818 B14R1.7233 CNNC(=O)c1ccc(cc1OC)C 22a_100016993582_100000217210 [0,2,0,0,0,0|1,0,0]=3 6819 B14R1.7233 CNNC(=O)c1ccc(cc1OC)Cl 22a_100016993582_100000217211 [0,2,0,0,0,0|1,0,0]=3 6820 B14R1.7233 CNNC(=O)c1ccc(cc1OC)F 22a_100016993582_100000239970 [0,2,0,0,0,0|1,0,0]=3 6821 B14R1.7233 CNNC(=O)c1ccc(cc1OC)I 22a_100016993582_100012353712 [0,2,0,0,0,0|1,0,0]=3 6822 B14R1.7233 COCN(C)c1ccc(cc1OC)Cl 2230a_100000061351_100000766300 [0,2,0,0,0,0|2,0,0]=4 6823 B14R1.7233 COCN(C)c1ccc(cc1OC)Cl 269982a_100000061351_100000766300 [0,2,0,0,0,0|2,0,0]=4 6824 B14R1.7233 COCN(C)c1ccc(cc1OC)F 2230a_100020633920_100000766300 [0,2,0,0,0,0|2,0,0]=4 6825 B14R1.7233 COCN(C)c1ccc(cc1OC)F 269982a_100020633920_100000766300 [0,2,0,0,0,0|2,0,0]=4 6826 B14R1.7233 COc1cc(ccc1C(=O)CC#N)Br 1458a_100000748230_100011214920 [0,2,0,0,0,0|1,0,1]=4 6827 B14R1.7233 COc1cc(ccc1C(=O)CC#N)C 1458a_100000217210_100011214920 [0,2,0,0,0,0|1,0,1]=4 6828 B14R1.7233 COc1cc(ccc1C(=O)CC#N)Cl 1458a_100000217211_100011214920 [0,2,0,0,0,0|1,0,1]=4 6829 B14R1.7233 COc1cc(ccc1C(=O)CC#N)F 1458a_100000239970_100011214920 [0,2,0,0,0,0|1,0,1]=4 6830 B14R1.7233 COc1cc(ccc1C(=O)CC#N)I 1458a_100012353712_100011214920 [0,2,0,0,0,0|1,0,1]=4 6831 B14R1.7233 COc1cc(ccc1C(=O)CCF)Br 1458a_100000748230_100011217306 [0,2,0,0,0,0|1,0,0]=3 6832 B14R1.7233 COc1cc(ccc1C(=O)CCF)C 1458a_100000217210_100011217306 [0,2,0,0,0,0|1,0,0]=3 6833 B14R1.7233 COc1cc(ccc1C(=O)CCF)Cl 1458a_100000217211_100011217306 [0,2,0,0,0,0|1,0,0]=3 6834 B14R1.7233 COc1cc(ccc1C(=O)CCF)F 1458a_100000239970_100011217306 [0,2,0,0,0,0|1,0,0]=3 6835 B14R1.7233 COc1cc(ccc1C(=O)CCF)I 1458a_100012353712_100011217306 [0,2,0,0,0,0|1,0,0]=3 6836 B14R1.7233 COc1cc(ccc1C(=O)CCO)Br 1458a_100000748230_100000211926 [0,2,0,0,0,0|1,0,0]=3 6837 B14R1.7233 COc1cc(ccc1C(=O)CCO)C 1458a_100000217210_100000211926 [0,2,0,0,0,0|1,0,0]=3 6838 B14R1.7233 COc1cc(ccc1C(=O)CCO)Cl 1458a_100000217211_100000211926 [0,2,0,0,0,0|1,0,0]=3 6839 B14R1.7233 COc1cc(ccc1C(=O)CCO)F 1458a_100000239970_100000211926 [0,2,0,0,0,0|1,0,0]=3 6840 B14R1.7233 COc1cc(ccc1C(=O)CCO)I 1458a_100012353712_100000211926 [0,2,0,0,0,0|1,0,0]=3 6841 B14R1.7233 COc1cc(ccc1C(=O)CSC)Cl 62a_100012344415_200000210301 [0,2,0,0,0,0|0,1,0]=3 6842 B14R1.7233 COc1cc(ccc1C(=O)CS[13CH3])Cl 62a_100012344415_200025704644 [0,2,0,0,0,0|0,1,0]=3 6843 B14R1.7276 C#CCC(=O)c1c(cccc1OC)Br 1458a_100011593405_100000184674 [0,2,0,0,0,0|1,0,1]=4 6844 B14R1.7276 C#CCC(=O)c1c(cccc1OC)C 1458a_100000066212_100000184674 [0,2,0,0,0,0|1,0,1]=4 6845 B14R1.7276 C#CCC(=O)c1c(cccc1OC)Cl 1458a_100000743539_100000184674 [0,2,0,0,0,0|1,0,1]=4 6846 B14R1.7276 C#CCC(=O)c1c(cccc1OC)F 1458a_100000759380_100000184674 [0,2,0,0,0,0|1,0,1]=4 6847 B14R1.7276 C#CCC(=O)c1c(cccc1OC)I 1458a_100010179659_100000184674 [0,2,0,0,0,0|1,0,1]=4 6848 B14R1.7276 C#CCC(=O)c1c(cccc1OC)O 1458a_100000043310_100000184674 [0,2,0,0,0,0|1,0,1]=4 6849 B14R1.7276 C=CCC(=O)c1c(cccc1OC)Br 1458a_100011593405_100000210623 [0,2,0,0,0,0|1,0,1]=4 6850 B14R1.7276 C=CCC(=O)c1c(cccc1OC)C 1458a_100000066212_100000210623 [0,2,0,0,0,0|1,0,1]=4 6851 B14R1.7276 C=CCC(=O)c1c(cccc1OC)Cl 1458a_100000743539_100000210623 [0,2,0,0,0,0|1,0,1]=4 6852 B14R1.7276 C=CCC(=O)c1c(cccc1OC)F 1458a_100000759380_100000210623 [0,2,0,0,0,0|1,0,1]=4 6853 B14R1.7276 C=CCC(=O)c1c(cccc1OC)I 1458a_100010179659_100000210623 [0,2,0,0,0,0|1,0,1]=4 6854 B14R1.7276 C=CCC(=O)c1c(cccc1OC)O 1458a_100000043310_100000210623 [0,2,0,0,0,0|1,0,1]=4 6855 B14R1.7276 C=Cc1cccc(c1C(=O)OCC)F 271570a_100011290941_100012357633 [0,2,0,0,0,0|1,0,1]=4 6856 B14R1.7276 CCCC(=O)c1c(cccc1OC)Br 1458a_100011593405_100000210303 [0,2,0,0,0,0|1,0,0]=3 6857 B14R1.7276 CCCC(=O)c1c(cccc1OC)C 1458a_100000066212_100000210303 [0,2,0,0,0,0|1,0,0]=3 6858 B14R1.7276 CCCC(=O)c1c(cccc1OC)Cl 1458a_100000743539_100000210303 [0,2,0,0,0,0|1,0,0]=3 6859 B14R1.7276 CCCC(=O)c1c(cccc1OC)F 1458a_100000759380_100000210303 [0,2,0,0,0,0|1,0,0]=3 6860 B14R1.7276 CCCC(=O)c1c(cccc1OC)I 1458a_100010179659_100000210303 [0,2,0,0,0,0|1,0,0]=3 6861 B14R1.7276 CCCC(=O)c1c(cccc1OC)O 1458a_100000043310_100000210303 [0,2,0,0,0,0|1,0,0]=3 6862 B14R1.7276 CCNC(=O)c1c(cccc1OC)Br 11a_100015525214_100011593405 [0,2,0,0,0,0|1,0,0]=3 6863 B14R1.7276 CCNC(=O)c1c(cccc1OC)Br 240690a_100015525214_100011593405 [0,2,0,0,0,0|1,0,0]=3 6864 B14R1.7276 CCNC(=O)c1c(cccc1OC)Br 527a_100015525214_100011593405 [0,2,0,0,0,0|1,0,0]=3 6865 B14R1.7276 CCNC(=O)c1c(cccc1OC)C 11a_100015525214_100000066212 [0,2,0,0,0,0|1,0,0]=3 6866 B14R1.7276 CCNC(=O)c1c(cccc1OC)C 240690a_100015525214_100000066212 [0,2,0,0,0,0|1,0,0]=3 6867 B14R1.7276 CCNC(=O)c1c(cccc1OC)Cl 11a_100015525214_100000743539 [0,2,0,0,0,0|1,0,0]=3 6868 B14R1.7276 CCNC(=O)c1c(cccc1OC)Cl 240690a_100015525214_100000743539 [0,2,0,0,0,0|1,0,0]=3 6869 B14R1.7276 CCNC(=O)c1c(cccc1OC)Cl 527a_100015525214_100000743539 [0,2,0,0,0,0|1,0,0]=3 6870 B14R1.7276 CCNC(=O)c1c(cccc1OC)F 11a_100015525214_100000759380 [0,2,0,0,0,0|1,0,0]=3 6871 B14R1.7276 CCNC(=O)c1c(cccc1OC)F 240690a_100015525214_100000759380 [0,2,0,0,0,0|1,0,0]=3 6872 B14R1.7276 CCNC(=O)c1c(cccc1OC)F 527a_100015525214_100000759380 [0,2,0,0,0,0|1,0,0]=3 6873 B14R1.7276 CCNC(=O)c1c(cccc1OC)I 11a_100015525214_100010179659 [0,2,0,0,0,0|1,0,0]=3 6874 B14R1.7276 CCNC(=O)c1c(cccc1OC)I 240690a_100015525214_100010179659 [0,2,0,0,0,0|1,0,0]=3 6875 B14R1.7276 CCNC(=O)c1c(cccc1OC)I 527a_100015525214_100010179659 [0,2,0,0,0,0|1,0,0]=3 6876 B14R1.7276 CCNC(=O)c1c(cccc1OC)O 240690a_100015525214_100000043310 [0,2,0,0,0,0|1,0,0]=3 6877 B14R1.7276 CCOC(=O)c1c(cccc1NC)F 27a_100102657272_100012357633 [0,2,0,0,0,0|1,0,0]=3 6878 B14R1.7276 CCOC(=O)c1c(cccc1OC)C 7a_100000034863_200000210301 [0,2,0,0,0,0|0,0,0]=2 6879 B14R1.7276 CCOC(=O)c1c(cccc1OC)Cl 7a_200000055446_200000210301 [0,2,0,0,0,0|0,0,0]=2 6880 B14R1.7276 CCOC(=O)c1c(cccc1OC)F 7a_100011997393_200000210301 [0,2,0,0,0,0|0,0,0]=2 6881 B14R1.7276 CCOC(=O)c1c(cccc1O[13CH3])C 7a_100000034863_200025704644 [0,2,0,0,0,0|0,0,0]=2 6882 B14R1.7276 CCOC(=O)c1c(cccc1O[13CH3])Cl 7a_200000055446_200025704644 [0,2,0,0,0,0|0,0,0]=2 6883 B14R1.7276 CCOC(=O)c1c(cccc1O[13CH3])F 7a_100011997393_200025704644 [0,2,0,0,0,0|0,0,0]=2 6884 B14R1.7276 CCOC(=O)c1c(cccc1SC)F 62a_100012357633_200000210301 [0,2,0,0,0,0|0,1,0]=3 6885 B14R1.7276 CCOC(=O)c1c(cccc1SC)F 62a_200000210301_200000170032 [0,2,0,0,0,0|0,1,0]=3 6886 B14R1.7276 CCOC(=O)c1c(cccc1S[13CH3])F 62a_100012357633_200025704644 [0,2,0,0,0,0|0,1,0]=3 6887 B14R1.7276 CCOC(=O)c1c(cccc1S[13CH3])F 62a_200025704644_200000170032 [0,2,0,0,0,0|0,1,0]=3 6888 B14R1.7276 CCOC(=O)c1c(ccnc1NC)C 27a_100102657272_100010068243 [0,2,0,0,0,0|2,0,0]=4 6889 B14R1.7276 CCOC(=O)c1c(ccnc1NC)N 27a_100102657272_100010588025 [0,2,0,0,0,0|2,0,0]=4 6890 B14R1.7276 CCOC(=O)c1c(ccnc1O)OC 271570a_203496583355_200010142526 [0,2,0,0,0,0|1,0,0]=3 6891 B14R1.7276 CCOC(=O)c1c(ccnc1SC)C 62a_100010068243_200000210301 [0,2,0,0,0,0|1,1,0]=4 6892 B14R1.7276 CCOC(=O)c1c(ccnc1SC)C 62a_200000210301_100010068243 [0,2,0,0,0,0|1,1,0]=4 6893 B14R1.7276 CCOC(=O)c1c(ccnc1SC)N 62a_200000210301_100010588025 [0,2,0,0,0,0|1,1,0]=4 6894 B14R1.7276 CCOC(=O)c1c(ccnc1S[13CH3])C 62a_100010068243_200025704644 [0,2,0,0,0,0|1,1,0]=4 6895 B14R1.7276 CCOC(=O)c1c(ccnc1S[13CH3])C 62a_200025704644_100010068243 [0,2,0,0,0,0|1,1,0]=4 6896 B14R1.7276 CCOC(=O)c1c(ccnc1S[13CH3])N 62a_200025704644_100010588025 [0,2,0,0,0,0|1,1,0]=4 6897 B14R1.7276 CNCC(=O)c1c(cccc1OC)Cl 2230a_106832991635_100010768284 [0,2,0,0,0,0|1,0,0]=3 6898 B14R1.7276 CNCC(=O)c1c(cccc1OC)Cl 34a_100102657272_100010768284 [0,2,0,0,0,0|1,0,0]=3 6899 B14R1.7276 CNNC(=O)c1c(cccc1OC)Br 22a_100016993582_100011593405 [0,2,0,0,0,0|1,0,0]=3 6900 B14R1.7276 CNNC(=O)c1c(cccc1OC)C 22a_100016993582_100000066212 [0,2,0,0,0,0|1,0,0]=3 6901 B14R1.7276 CNNC(=O)c1c(cccc1OC)Cl 22a_100016993582_100000743539 [0,2,0,0,0,0|1,0,0]=3 6902 B14R1.7276 CNNC(=O)c1c(cccc1OC)F 22a_100016993582_100000759380 [0,2,0,0,0,0|1,0,0]=3 6903 B14R1.7276 CNNC(=O)c1c(cccc1OC)I 22a_100016993582_100010179659 [0,2,0,0,0,0|1,0,0]=3 6904 B14R1.7276 CNNC(=O)c1c(cccc1OC)O 22a_100016993582_100000043310 [0,2,0,0,0,0|1,0,0]=3 6905 B14R1.7276 COCC(=O)c1c(cccc1OC)Cl 34a_100138415774_100010768284 [0,2,0,0,0,0|0,0,0]=2 6906 B14R1.7276 COc1cccc(c1C(=O)CC#N)Br 1458a_100011593405_100011214920 [0,2,0,0,0,0|1,0,1]=4 6907 B14R1.7276 COc1cccc(c1C(=O)CC#N)C 1458a_100000066212_100011214920 [0,2,0,0,0,0|1,0,1]=4 6908 B14R1.7276 COc1cccc(c1C(=O)CC#N)Cl 1458a_100000743539_100011214920 [0,2,0,0,0,0|1,0,1]=4 6909 B14R1.7276 COc1cccc(c1C(=O)CC#N)F 1458a_100000759380_100011214920 [0,2,0,0,0,0|1,0,1]=4 6910 B14R1.7276 COc1cccc(c1C(=O)CC#N)I 1458a_100010179659_100011214920 [0,2,0,0,0,0|1,0,1]=4 6911 B14R1.7276 COc1cccc(c1C(=O)CC#N)O 1458a_100000043310_100011214920 [0,2,0,0,0,0|1,0,1]=4 6912 B14R1.7276 COc1cccc(c1C(=O)CCF)Br 1458a_100011593405_100011217306 [0,2,0,0,0,0|1,0,0]=3 6913 B14R1.7276 COc1cccc(c1C(=O)CCF)C 1458a_100000066212_100011217306 [0,2,0,0,0,0|1,0,0]=3 6914 B14R1.7276 COc1cccc(c1C(=O)CCF)Cl 1458a_100000743539_100011217306 [0,2,0,0,0,0|1,0,0]=3 6915 B14R1.7276 COc1cccc(c1C(=O)CCF)F 1458a_100000759380_100011217306 [0,2,0,0,0,0|1,0,0]=3 6916 B14R1.7276 COc1cccc(c1C(=O)CCF)I 1458a_100010179659_100011217306 [0,2,0,0,0,0|1,0,0]=3 6917 B14R1.7276 COc1cccc(c1C(=O)CCF)O 1458a_100000043310_100011217306 [0,2,0,0,0,0|1,0,0]=3 6918 B14R1.7276 COc1cccc(c1C(=O)CCO)Br 1458a_100011593405_100000211926 [0,2,0,0,0,0|1,0,0]=3 6919 B14R1.7276 COc1cccc(c1C(=O)CCO)C 1458a_100000066212_100000211926 [0,2,0,0,0,0|1,0,0]=3 6920 B14R1.7276 COc1cccc(c1C(=O)CCO)Cl 1458a_100000743539_100000211926 [0,2,0,0,0,0|1,0,0]=3 6921 B14R1.7276 COc1cccc(c1C(=O)CCO)F 1458a_100000759380_100000211926 [0,2,0,0,0,0|1,0,0]=3 6922 B14R1.7276 COc1cccc(c1C(=O)CCO)I 1458a_100010179659_100000211926 [0,2,0,0,0,0|1,0,0]=3 6923 B14R1.7276 COc1cccc(c1C(=O)CCO)O 1458a_100000043310_100000211926 [0,2,0,0,0,0|1,0,0]=3 6924 B14R1.7276 COc1cccc(c1C(=O)CSC)Cl 62a_100010768284_200000210301 [0,2,0,0,0,0|0,1,0]=3 6925 B14R1.7276 COc1cccc(c1C(=O)CS[13CH3])Cl 62a_100010768284_200025704644 [0,2,0,0,0,0|0,1,0]=3 6926 B14R1.707 C=C(C)c1ccc(cc1C(=O)NC)Cl 271570a_100000694244_200011279454 [0,2,0,0,0,0|2,0,0]=4 6927 B14R1.707 C=C(C)c1ccc(cc1C(=O)NC)F 271570a_100000694244_200000206232 [0,2,0,0,0,0|2,0,0]=4 6928 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)Br 271570a_100000694244_100000148213 [0,2,0,0,0,0|1,0,0]=3 6929 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)C 271570a_100000694244_100012339458 [0,2,0,0,0,0|1,0,0]=3 6930 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)Cl 271570a_100000694244_100011294804 [0,2,0,0,0,0|1,0,0]=3 6931 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)F 271570a_100000694244_100000205820 [0,2,0,0,0,0|1,0,0]=3 6932 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)N 271570a_100000694244_100000696289 [0,2,0,0,0,0|1,0,0]=3 6933 B14R1.707 C=C(C)c1ccc(cc1C(=O)OC)O 271570a_100000694244_100010230369 [0,2,0,0,0,0|1,0,0]=3 6934 B14R1.707 C=C(C)c1ccc(nc1C(=O)OC)N 271570a_100000694244_100009816986 [0,2,0,0,0,0|2,0,0]=4 6935 B14R1.707 C=C(C)c1ccc(nc1C(=O)OC)O 271570a_100000694244_100010189638 [0,2,0,0,0,0|2,0,0]=4 6936 B14R1.707 C=C(C)c1cnc(cc1C(=O)OC)N 271570a_100000694244_100011934820 [0,2,0,0,0,0|2,0,0]=4 6937 B14R1.707 C=C(C)c1cnc(cc1C(=O)OC)O 271570a_100000694244_100009816900 [0,2,0,0,0,0|2,0,0]=4 6938 B14R1.707 C=C(C)c1ncc(cc1C(=O)OC)C 271570a_100000694244_100000085774 [0,2,0,0,0,0|2,0,0]=4 6939 B14R1.707 C=C(C)c1ncc(cc1C(=O)OC)F 271570a_100000694244_100012000215 [0,2,0,0,0,0|2,0,0]=4 6940 B14R1.707 C=C(C)c1ncc(cc1C(=O)OC)N 271570a_100000694244_200012182668 [0,2,0,0,0,0|2,0,0]=4 6941 B14R1.707 CCC(=O)c1cc(ccc1C(C)C)C 1458a_200012176289_100000210202 [0,2,0,0,0,0|2,0,0]=4 6942 B14R1.707 CNC(=O)c1cc(ccc1C(C)C)C 11a_106832991635_200012176289 [0,2,0,0,0,0|2,0,0]=4 6943 B14R1.707 CNC(=O)c1cc(ccc1C(C)C)C 1626a_100102657272_200012176289 [0,2,0,0,0,0|2,0,0]=4 6944 B14R1.707 CNC(=O)c1cc(ccc1C(C)C)C 240690a_100102657272_200012176289 [0,2,0,0,0,0|2,0,0]=4 6945 B14R1.707 CNC(=O)c1cc(ccc1C(C)C)C 527a_100102657272_200012176289 [0,2,0,0,0,0|2,0,0]=4 6946 B14R1.707 CNC(=O)c1cc(ccc1N(C)C)Cl 27a_100102631434_200011279454 [0,2,0,0,0,0|2,0,0]=4 6947 B14R1.707 CNC(=O)c1cc(ccc1N(C)C)F 27a_100102631434_200000206232 [0,2,0,0,0,0|2,0,0]=4 6948 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Br 269982a_200000216482_200000210301 [0,2,0,0,0,0|1,0,0]=3 6949 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Br 34a_200000216482_200000210301 [0,2,0,0,0,0|1,0,0]=3 6950 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Br 7a_200000216482_200000210301 [0,2,0,0,0,0|1,0,0]=3 6951 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Cl 269982a_100000216484_200000210301 [0,2,0,0,0,0|1,0,0]=3 6952 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Cl 34a_100000216484_200000210301 [0,2,0,0,0,0|1,0,0]=3 6953 B14R1.707 COC(=O)c1cc(ccc1N(C)C)Cl 38a_100000216484_200000210301 [0,2,0,0,0,0|1,0,0]=3 6954 B14R1.707 COC(=O)c1cc(ccc1N(C)C)F 269982a_100011806480_200000210301 [0,2,0,0,0,0|1,0,0]=3 6955 B14R1.707 COC(=O)c1cc(ccc1N(C)C)F 34a_100011806480_200000210301 [0,2,0,0,0,0|1,0,0]=3 6956 B14R1.707 COC(=O)c1cc(ccc1N(C)C)F 38a_100011806480_200000210301 [0,2,0,0,0,0|1,0,0]=3 6957 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Br 269982a_200000216482_200025704644 [0,2,0,0,0,0|1,0,0]=3 6958 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Br 34a_200000216482_200025704644 [0,2,0,0,0,0|1,0,0]=3 6959 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Br 7a_200000216482_200025704644 [0,2,0,0,0,0|1,0,0]=3 6960 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Cl 269982a_100000216484_200025704644 [0,2,0,0,0,0|1,0,0]=3 6961 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Cl 34a_100000216484_200025704644 [0,2,0,0,0,0|1,0,0]=3 6962 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])Cl 38a_100000216484_200025704644 [0,2,0,0,0,0|1,0,0]=3 6963 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])F 269982a_100011806480_200025704644 [0,2,0,0,0,0|1,0,0]=3 6964 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])F 34a_100011806480_200025704644 [0,2,0,0,0,0|1,0,0]=3 6965 B14R1.707 COC(=O)c1cc(ccc1N(C)[13CH3])F 38a_100011806480_200025704644 [0,2,0,0,0,0|1,0,0]=3 6966 B14R1.707 COC(=O)c1cc(cnc1N(C)C)C 27a_100102631434_100000085774 [0,2,0,0,0,0|2,0,0]=4 6967 B14R1.745 CCC(=O)c1ccccc1C(C)(C)C 1458a_100000690655_100000210202 [0,2,0,0,0,0|2,0,0]=4 6968 B14R1.745 CCC(=O)c1ccccc1S(=O)(=O)C 1458a_100000185186_100000210202 [0,2,0,0,0,0|1,1,0]=4 6969 B14R1.745 CNC(=O)c1ccccc1C(C)(C)C 11a_106832991635_100000690655 [0,2,0,0,0,0|2,0,0]=4 6970 B14R1.745 CNC(=O)c1ccccc1C(C)(C)C 1626a_100102657272_100000690655 [0,2,0,0,0,0|2,0,0]=4 6971 B14R1.745 CNC(=O)c1ccccc1C(C)(C)C 240690a_100102657272_100000690655 [0,2,0,0,0,0|2,0,0]=4 6972 B14R1.745 CNC(=O)c1ccccc1C(C)(C)C 527a_100102657272_100000690655 [0,2,0,0,0,0|2,0,0]=4 6973 B14R1.745 CNC(=O)c1ccccc1S(=O)(=O)C 11a_106832991635_100000185186 [0,2,0,0,0,0|1,1,0]=4 6974 B14R1.745 CNC(=O)c1ccccc1S(=O)(=O)C 1626a_100102657272_100000185186 [0,2,0,0,0,0|1,1,0]=4 6975 B14R1.745 CNC(=O)c1ccccc1S(=O)(=O)C 240690a_100102657272_100000185186 [0,2,0,0,0,0|1,1,0]=4 6976 B14R1.1126 C=C(C)c1cc(ccc1C(=O)CC)C 271570a_100000694244_200012349623 [0,2,0,0,0,0|2,0,0]=4 6977 B14R1.1126 C=C(C)c1cc(ccc1C(=O)NC)F 271570a_100000694244_200000206206 [0,2,0,0,0,0|2,0,0]=4 6978 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)Br 271570a_100000694244_100000701758 [0,2,0,0,0,0|1,0,0]=3 6979 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)C 271570a_100000694244_100012340597 [0,2,0,0,0,0|1,0,0]=3 6980 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)Cl 271570a_100000694244_100000047510 [0,2,0,0,0,0|1,0,0]=3 6981 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)F 271570a_100000694244_100000204356 [0,2,0,0,0,0|1,0,0]=3 6982 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)N 271570a_100000694244_100009998378 [0,2,0,0,0,0|1,0,0]=3 6983 B14R1.1126 C=C(C)c1cc(ccc1C(=O)OC)O 271570a_100000694244_100010150825 [0,2,0,0,0,0|1,0,0]=3 6984 B14R1.1126 C=C(C)c1cc(cnc1C(=O)OC)C 271570a_100000694244_100010167497 [0,2,0,0,0,0|2,0,0]=4 6985 B14R1.1126 C=C(C)c1cc(cnc1C(=O)OC)F 271570a_100000694244_100010189631 [0,2,0,0,0,0|2,0,0]=4 6986 B14R1.1126 C=C(C)c1cc(ncc1C(=O)OC)C 271570a_100000694244_100011998247 [0,2,0,0,0,0|2,0,0]=4 6987 B14R1.1126 C=C(C)c1nc(ccc1C(=O)OC)C 271570a_100000694244_100000054099 [0,2,0,0,0,0|2,0,0]=4 6988 B14R1.1126 C=C(C)c1nc(ccc1C(=O)OC)N 271570a_100000694244_100009865240 [0,2,0,0,0,0|2,0,0]=4 6989 B14R1.1126 C=C(C)c1nc(ccc1C(=O)OC)O 271570a_100000694244_100016008356 [0,2,0,0,0,0|2,0,0]=4 6990 B14R1.1126 CCC(=O)c1ccc(cc1N(C)C)Br 1458a_200000744963_100000210202 [0,2,0,0,0,0|2,0,0]=4 6991 B14R1.1126 CCC(=O)c1ccc(cc1N(C)C)C 27a_100102631434_200012349623 [0,2,0,0,0,0|2,0,0]=4 6992 B14R1.1126 CNC(=O)c1ccc(cc1N(C)C)Br 11a_106832991635_200000744963 [0,2,0,0,0,0|2,0,0]=4 6993 B14R1.1126 CNC(=O)c1ccc(cc1N(C)C)Br 1626a_100102657272_200000744963 [0,2,0,0,0,0|2,0,0]=4 6994 B14R1.1126 CNC(=O)c1ccc(cc1N(C)C)Br 240690a_100102657272_200000744963 [0,2,0,0,0,0|2,0,0]=4 6995 B14R1.1126 CNC(=O)c1ccc(cc1N(C)C)F 27a_100102631434_200000206206 [0,2,0,0,0,0|2,0,0]=4 6996 B14R1.1126 COC(=O)c1ccc(cc1B(O)O)O 271570a_203496583355_100000070578 [0,2,0,0,0,0|2,0,0]=4 6997 B14R1.1126 COC(=O)c1ccc(cc1C(=O)C)F 1458a_200010710419_200000210301 [0,2,0,0,0,0|1,0,0]=3 6998 B14R1.1126 COC(=O)c1ccc(cc1C(=O)[13CH3])F 1458a_200010710419_200025704644 [0,2,0,0,0,0|1,0,0]=3 6999 B14R1.1126 COC(=O)c1ccc(cc1N(C)C)Br 269982a_200160487225_200000210301 [0,2,0,0,0,0|1,0,0]=3 7000 B14R1.1126 COC(=O)c1ccc(cc1N(C)C)Br 34a_200160487225_200000210301 [0,2,0,0,0,0|1,0,0]=3 7001 B14R1.1126 COC(=O)c1ccc(cc1N(C)[13CH3])Br 269982a_200160487225_200025704644 [0,2,0,0,0,0|1,0,0]=3 7002 B14R1.1126 COC(=O)c1ccc(cc1N(C)[13CH3])Br 34a_200160487225_200025704644 [0,2,0,0,0,0|1,0,0]=3 7003 B14R1.1126 COC(=O)c1cnc(cc1N(C)C)C 27a_100102631434_100011998247 [0,2,0,0,0,0|2,0,0]=4 7004 B14R1.1164 C=C(C)c1cccc(c1C(=O)NC)F 271570a_100000694244_100012642803 [0,2,0,0,0,0|2,0,0]=4 7005 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)Br 271570a_100000694244_100010247157 [0,2,0,0,0,0|1,0,0]=3 7006 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)C 271570a_100000694244_100010204206 [0,2,0,0,0,0|1,0,0]=3 7007 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)Cl 271570a_100000694244_100010150959 [0,2,0,0,0,0|1,0,0]=3 7008 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)F 271570a_100000694244_100000150693 [0,2,0,0,0,0|1,0,0]=3 7009 B14R1.1164 C=C(C)c1cccc(c1C(=O)OC)N 271570a_100000694244_100010253892 [0,2,0,0,0,0|1,0,0]=3 7010 B14R1.1164 C=C(C)c1ccnc(c1C(=O)OC)Cl 271570a_100000694244_100010138530 [0,2,0,0,0,0|2,0,0]=4 7011 B14R1.1164 C=C(C)c1ccnc(c1C(=O)OC)F 271570a_100000694244_100010150474 [0,2,0,0,0,0|2,0,0]=4 7012 B14R1.1164 C=C(C)c1cncc(c1C(=O)OC)F 271570a_100000694244_100010189632 [0,2,0,0,0,0|2,0,0]=4 7013 B14R1.1164 C=C(C)c1nccc(c1C(=O)OC)F 271570a_100000694244_100015560809 [0,2,0,0,0,0|2,0,0]=4 7014 B14R1.1164 C=C(C)c1nccc(c1C(=O)OC)N 271570a_100000694244_100009985557 [0,2,0,0,0,0|2,0,0]=4 7015 B14R1.1164 CNC(=O)c1c(cccc1N(C)C)F 27a_100102631434_100012642803 [0,2,0,0,0,0|2,0,0]=4 7016 B14R1.1164 COC(=O)c1c(cccc1N(C)C)Cl 269982a_200010565112_200000210301 [0,2,0,0,0,0|1,0,0]=3 7017 B14R1.1164 COC(=O)c1c(cccc1N(C)C)Cl 34a_200010565112_200000210301 [0,2,0,0,0,0|1,0,0]=3 7018 B14R1.1164 COC(=O)c1c(cccc1N(C)[13CH3])Cl 269982a_200010565112_200025704644 [0,2,0,0,0,0|1,0,0]=3 7019 B14R1.1164 COC(=O)c1c(cccc1N(C)[13CH3])Cl 34a_200010565112_200025704644 [0,2,0,0,0,0|1,0,0]=3 7020 B14R1.346 C=Cc1cc(cc(c1C(=O)OC)F)C 271570a_100011290941_100015667323 [0,2,0,0,0,0|1,0,1]=4 7021 B14R1.346 C=Cc1cc(cc(c1C(=O)OC)F)F 271570a_100011290941_100010009842 [0,2,0,0,0,0|1,0,1]=4 7022 B14R1.346 CCC(=O)c1c(cc(cc1OC)Br)F 1458a_100010734140_100000210202 [0,2,0,0,0,0|1,0,0]=3 7023 B14R1.346 CCC(=O)c1c(cc(cc1OC)C)C 1458a_200012180181_100000210202 [0,2,0,0,0,0|1,0,0]=3 7024 B14R1.346 CCC(=O)c1c(cc(cc1OC)C)F 1458a_200010768512_100000210202 [0,2,0,0,0,0|1,0,0]=3 7025 B14R1.346 CNC(=O)c1c(cc(cc1OC)Br)F 11a_106832991635_100010734140 [0,2,0,0,0,0|1,0,0]=3 7026 B14R1.346 CNC(=O)c1c(cc(cc1OC)Br)F 240690a_100102657272_100010734140 [0,2,0,0,0,0|1,0,0]=3 7027 B14R1.346 CNC(=O)c1c(cc(cc1OC)Br)F 527a_100102657272_100010734140 [0,2,0,0,0,0|1,0,0]=3 7028 B14R1.346 CNC(=O)c1c(cc(cc1OC)C)C 11a_106832991635_200012180181 [0,2,0,0,0,0|1,0,0]=3 7029 B14R1.346 CNC(=O)c1c(cc(cc1OC)C)C 1626a_100102657272_200012180181 [0,2,0,0,0,0|1,0,0]=3 7030 B14R1.346 CNC(=O)c1c(cc(cc1OC)C)C 240690a_100102657272_200012180181 [0,2,0,0,0,0|1,0,0]=3 7031 B14R1.346 CNC(=O)c1c(cc(cc1OC)C)F 11a_106832991635_200010768512 [0,2,0,0,0,0|1,0,0]=3 7032 B14R1.346 CNC(=O)c1c(cc(cc1OC)C)F 1626a_100102657272_200010768512 [0,2,0,0,0,0|1,0,0]=3 7033 B14R1.346 CNC(=O)c1c(cc(cc1OC)C)F 240690a_100102657272_200010768512 [0,2,0,0,0,0|1,0,0]=3 7034 B14R1.346 CNC(=O)c1c(cc(cc1OC)C)F 527a_100102657272_200010768512 [0,2,0,0,0,0|1,0,0]=3 7035 B14R1.346 COC(=O)c1c(cc(cc1C#N)O)F 271570a_203496583355_100015927201 [0,2,0,0,0,0|2,0,0]=4 7036 B14R1.346 COC(=O)c1c(cc(cc1OC)Br)F 34a_100010889199_200000210301 [0,2,0,0,0,0|0,0,0]=2 7037 B14R1.346 COC(=O)c1c(cc(cc1OC)Br)F 7a_100010889199_200000210301 [0,2,0,0,0,0|0,0,0]=2 7038 B14R1.346 COC(=O)c1c(cc(cc1OC)F)F 34a_200000056480_200000210301 [0,2,0,0,0,0|0,0,0]=2 7039 B14R1.346 COC(=O)c1c(cc(cc1OC)F)F 7a_200000056480_200000210301 [0,2,0,0,0,0|0,0,0]=2 7040 B14R1.346 COC(=O)c1c(cc(cc1OC)O)F 271570a_203496583355_100010764395 [0,2,0,0,0,0|0,0,0]=2 7041 B14R1.346 COC(=O)c1c(cc(cc1O[13CH3])Br)F 34a_100010889199_200025704644 [0,2,0,0,0,0|0,0,0]=2 7042 B14R1.346 COC(=O)c1c(cc(cc1O[13CH3])Br)F 7a_100010889199_200025704644 [0,2,0,0,0,0|0,0,0]=2 7043 B14R1.346 COC(=O)c1c(cc(cc1O[13CH3])F)F 34a_200000056480_200025704644 [0,2,0,0,0,0|0,0,0]=2 7044 B14R1.346 COC(=O)c1c(cc(cc1O[13CH3])F)F 7a_200000056480_200025704644 [0,2,0,0,0,0|0,0,0]=2 7045 B14R1.346 COC(=O)c1c(cc(cc1SC)C)F 62a_100015667323_200000210301 [0,2,0,0,0,0|0,1,0]=3 7046 B14R1.346 COC(=O)c1c(cc(cc1SC)C)F 62a_200000210301_100015667323 [0,2,0,0,0,0|0,1,0]=3 7047 B14R1.346 COC(=O)c1c(cc(cc1SC)F)F 62a_100010009842_200000210301 [0,2,0,0,0,0|0,1,0]=3 7048 B14R1.346 COC(=O)c1c(cc(cc1SC)F)F 62a_200000210301_100010009842 [0,2,0,0,0,0|0,1,0]=3 7049 B14R1.346 COC(=O)c1c(cc(cc1S[13CH3])C)F 62a_100015667323_200025704644 [0,2,0,0,0,0|0,1,0]=3 7050 B14R1.346 COC(=O)c1c(cc(cc1S[13CH3])C)F 62a_200025704644_100015667323 [0,2,0,0,0,0|0,1,0]=3 7051 B14R1.346 COC(=O)c1c(cc(cc1S[13CH3])F)F 62a_100010009842_200025704644 [0,2,0,0,0,0|0,1,0]=3 7052 B14R1.346 COC(=O)c1c(cc(cc1S[13CH3])F)F 62a_200025704644_100010009842 [0,2,0,0,0,0|0,1,0]=3 7053 B14R1.346 COC(=O)c1c(cc(nc1SC)C)C 62a_100000019986_200000210301 [0,2,0,0,0,0|1,1,0]=4 7054 B14R1.346 COC(=O)c1c(cc(nc1SC)C)C 62a_200000210301_100000019986 [0,2,0,0,0,0|1,1,0]=4 7055 B14R1.346 COC(=O)c1c(cc(nc1S[13CH3])C)C 62a_100000019986_200025704644 [0,2,0,0,0,0|1,1,0]=4 7056 B14R1.346 COC(=O)c1c(cc(nc1S[13CH3])C)C 62a_200025704644_100000019986 [0,2,0,0,0,0|1,1,0]=4 7057 B14R1.346 COc1cc(cc(c1C(=O)CF)C)C 1458a_200012180181_100015361967 [0,2,0,0,0,0|2,0,0]=4 7058 B14R1.346 COc1cc(cc(c1C(=O)CF)F)Br 1458a_100010734140_100015361967 [0,2,0,0,0,0|2,0,0]=4 7059 B14R1.346 COc1cc(cc(c1C(=O)CF)F)C 1458a_200010768512_100015361967 [0,2,0,0,0,0|2,0,0]=4 7060 B14R1.2287 C=Cc1cc(c(cc1C(=O)OC)Br)Cl 271570a_100011290941_200012920379 [0,2,0,0,0,0|1,0,1]=4 7061 B14R1.2287 C=Cc1cc(c(cc1C(=O)OC)C)F 271570a_100011290941_100015451887 [0,2,0,0,0,0|1,0,1]=4 7062 B14R1.2287 C=Cc1cc(c(cc1C(=O)OC)F)Br 271570a_100011290941_100014686389 [0,2,0,0,0,0|1,0,1]=4 7063 B14R1.2287 C=Cc1cc(c(cc1C(=O)OC)F)C 271570a_100011290941_100015763395 [0,2,0,0,0,0|1,0,1]=4 7064 B14R1.2287 C=Cc1cc(c(cc1C(=O)OC)F)F 271570a_100011290941_100010195689 [0,2,0,0,0,0|1,0,1]=4 7065 B14R1.2287 C=Cc1cc(c(cc1C(=O)OC)F)N 271570a_100011290941_100010764352 [0,2,0,0,0,0|1,0,1]=4 7066 B14R1.2287 C=Cc1cc(c(cc1C(=O)OC)N)C 271570a_100011290941_100000730709 [0,2,0,0,0,0|1,0,1]=4 7067 B14R1.2287 CCC(=O)c1cc(c(cc1OC)Br)F 1458a_100010827335_100000210202 [0,2,0,0,0,0|1,0,0]=3 7068 B14R1.2287 CCC(=O)c1cc(c(cc1OC)C)Br 1458a_100000728833_100000210202 [0,2,0,0,0,0|1,0,0]=3 7069 B14R1.2287 CCC(=O)c1cc(c(cc1OC)Cl)Br 1458a_100000760434_100000210202 [0,2,0,0,0,0|1,0,0]=3 7070 B14R1.2287 CCC(=O)c1cc(c(cc1OC)Cl)Cl 1458a_100000684457_100000210202 [0,2,0,0,0,0|1,0,0]=3 7071 B14R1.2287 CCC(=O)c1cc(c(cc1OC)Cl)I 1458a_100013369036_100000210202 [0,2,0,0,0,0|1,0,0]=3 7072 B14R1.2287 CCC(=O)c1cc(c(cc1OC)F)Br 1458a_100012355408_100000210202 [0,2,0,0,0,0|1,0,0]=3 7073 B14R1.2287 CCC(=O)c1cc(c(cc1OC)F)F 1458a_100000062012_100000210202 [0,2,0,0,0,0|1,0,0]=3 7074 B14R1.2287 CCC(=O)c1cc(c(cc1OC)I)Cl 1458a_200000738201_100000210202 [0,2,0,0,0,0|1,0,0]=3 7075 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Br)F 11a_106832991635_100010827335 [0,2,0,0,0,0|1,0,0]=3 7076 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Br)F 1626a_100102657272_100010827335 [0,2,0,0,0,0|1,0,0]=3 7077 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Br)F 240690a_100102657272_100010827335 [0,2,0,0,0,0|1,0,0]=3 7078 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Br)F 527a_100102657272_100010827335 [0,2,0,0,0,0|1,0,0]=3 7079 B14R1.2287 CNC(=O)c1cc(c(cc1OC)C)Br 11a_106832991635_100000728833 [0,2,0,0,0,0|1,0,0]=3 7080 B14R1.2287 CNC(=O)c1cc(c(cc1OC)C)Br 1626a_100102657272_100000728833 [0,2,0,0,0,0|1,0,0]=3 7081 B14R1.2287 CNC(=O)c1cc(c(cc1OC)C)Br 240690a_100102657272_100000728833 [0,2,0,0,0,0|1,0,0]=3 7082 B14R1.2287 CNC(=O)c1cc(c(cc1OC)C)Br 527a_100102657272_100000728833 [0,2,0,0,0,0|1,0,0]=3 7083 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Cl)Br 11a_106832991635_100000760434 [0,2,0,0,0,0|1,0,0]=3 7084 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Cl)Br 1626a_100102657272_100000760434 [0,2,0,0,0,0|1,0,0]=3 7085 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Cl)Br 240690a_100102657272_100000760434 [0,2,0,0,0,0|1,0,0]=3 7086 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Cl)Br 527a_100102657272_100000760434 [0,2,0,0,0,0|1,0,0]=3 7087 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Cl)Cl 11a_106832991635_100000684457 [0,2,0,0,0,0|1,0,0]=3 7088 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Cl)Cl 1626a_100102657272_100000684457 [0,2,0,0,0,0|1,0,0]=3 7089 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Cl)Cl 240690a_100102657272_100000684457 [0,2,0,0,0,0|1,0,0]=3 7090 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Cl)Cl 527a_100102657272_100000684457 [0,2,0,0,0,0|1,0,0]=3 7091 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Cl)I 11a_106832991635_100013369036 [0,2,0,0,0,0|1,0,0]=3 7092 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Cl)I 1626a_100102657272_100013369036 [0,2,0,0,0,0|1,0,0]=3 7093 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Cl)I 240690a_100102657272_100013369036 [0,2,0,0,0,0|1,0,0]=3 7094 B14R1.2287 CNC(=O)c1cc(c(cc1OC)Cl)I 527a_100102657272_100013369036 [0,2,0,0,0,0|1,0,0]=3 7095 B14R1.2287 CNC(=O)c1cc(c(cc1OC)F)Br 11a_106832991635_100012355408 [0,2,0,0,0,0|1,0,0]=3 7096 B14R1.2287 CNC(=O)c1cc(c(cc1OC)F)Br 1626a_100102657272_100012355408 [0,2,0,0,0,0|1,0,0]=3 7097 B14R1.2287 CNC(=O)c1cc(c(cc1OC)F)Br 240690a_100102657272_100012355408 [0,2,0,0,0,0|1,0,0]=3 7098 B14R1.2287 CNC(=O)c1cc(c(cc1OC)F)Br 527a_100102657272_100012355408 [0,2,0,0,0,0|1,0,0]=3 7099 B14R1.2287 CNC(=O)c1cc(c(cc1OC)F)F 11a_106832991635_100000062012 [0,2,0,0,0,0|1,0,0]=3 7100 B14R1.2287 CNC(=O)c1cc(c(cc1OC)F)F 1626a_100102657272_100000062012 [0,2,0,0,0,0|1,0,0]=3 7101 B14R1.2287 CNC(=O)c1cc(c(cc1OC)F)F 240690a_100102657272_100000062012 [0,2,0,0,0,0|1,0,0]=3 7102 B14R1.2287 CNC(=O)c1cc(c(cc1OC)F)F 527a_100102657272_100000062012 [0,2,0,0,0,0|1,0,0]=3 7103 B14R1.2287 CNC(=O)c1cc(c(cc1OC)I)Cl 11a_106832991635_200000738201 [0,2,0,0,0,0|1,0,0]=3 7104 B14R1.2287 CNC(=O)c1cc(c(cc1OC)I)Cl 1626a_100102657272_200000738201 [0,2,0,0,0,0|1,0,0]=3 7105 B14R1.2287 CNC(=O)c1cc(c(cc1OC)I)Cl 240690a_100102657272_200000738201 [0,2,0,0,0,0|1,0,0]=3 7106 B14R1.2287 CNC(=O)c1cc(c(cc1OC)I)Cl 527a_100102657272_200000738201 [0,2,0,0,0,0|1,0,0]=3 7107 B14R1.2287 COC(=O)c1cc(c(cc1OC)Br)F 34a_100010760826_200000210301 [0,2,0,0,0,0|0,0,0]=2 7108 B14R1.2287 COC(=O)c1cc(c(cc1OC)Br)F 7a_100010760826_200000210301 [0,2,0,0,0,0|0,0,0]=2 7109 B14R1.2287 COC(=O)c1cc(c(cc1OC)C)Br 34a_100010233952_200000210301 [0,2,0,0,0,0|0,0,0]=2 7110 B14R1.2287 COC(=O)c1cc(c(cc1OC)C)Br 7a_100010233952_200000210301 [0,2,0,0,0,0|0,0,0]=2 7111 B14R1.2287 COC(=O)c1cc(c(cc1OC)C)Cl 34a_200010164355_200000210301 [0,2,0,0,0,0|0,0,0]=2 7112 B14R1.2287 COC(=O)c1cc(c(cc1OC)C)Cl 7a_200010164355_200000210301 [0,2,0,0,0,0|0,0,0]=2 7113 B14R1.2287 COC(=O)c1cc(c(cc1OC)C)O 271570a_203496583355_100010233953 [0,2,0,0,0,0|0,0,0]=2 7114 B14R1.2287 COC(=O)c1cc(c(cc1OC)F)Br 34a_100010371811_200000210301 [0,2,0,0,0,0|0,0,0]=2 7115 B14R1.2287 COC(=O)c1cc(c(cc1OC)F)Br 7a_100010371811_200000210301 [0,2,0,0,0,0|0,0,0]=2 7116 B14R1.2287 COC(=O)c1cc(c(cc1OC)F)O 271570a_203496583355_100010203351 [0,2,0,0,0,0|0,0,0]=2 7117 B14R1.2287 COC(=O)c1cc(c(cc1OC)N)Br 34a_100010075205_200000210301 [0,2,0,0,0,0|0,0,0]=2 7118 B14R1.2287 COC(=O)c1cc(c(cc1OC)N)Br 7a_100010075205_200000210301 [0,2,0,0,0,0|0,0,0]=2 7119 B14R1.2287 COC(=O)c1cc(c(cc1OC)N)O 271570a_203496583355_100010236250 [0,2,0,0,0,0|0,0,0]=2 7120 B14R1.2287 COC(=O)c1cc(c(cc1O[13CH3])Br)F 34a_100010760826_200025704644 [0,2,0,0,0,0|0,0,0]=2 7121 B14R1.2287 COC(=O)c1cc(c(cc1O[13CH3])Br)F 7a_100010760826_200025704644 [0,2,0,0,0,0|0,0,0]=2 7122 B14R1.2287 COC(=O)c1cc(c(cc1O[13CH3])C)Br 34a_100010233952_200025704644 [0,2,0,0,0,0|0,0,0]=2 7123 B14R1.2287 COC(=O)c1cc(c(cc1O[13CH3])C)Br 7a_100010233952_200025704644 [0,2,0,0,0,0|0,0,0]=2 7124 B14R1.2287 COC(=O)c1cc(c(cc1O[13CH3])C)Cl 34a_200010164355_200025704644 [0,2,0,0,0,0|0,0,0]=2 7125 B14R1.2287 COC(=O)c1cc(c(cc1O[13CH3])C)Cl 7a_200010164355_200025704644 [0,2,0,0,0,0|0,0,0]=2 7126 B14R1.2287 COC(=O)c1cc(c(cc1O[13CH3])F)Br 34a_100010371811_200025704644 [0,2,0,0,0,0|0,0,0]=2 7127 B14R1.2287 COC(=O)c1cc(c(cc1O[13CH3])F)Br 7a_100010371811_200025704644 [0,2,0,0,0,0|0,0,0]=2 7128 B14R1.2287 COC(=O)c1cc(c(cc1O[13CH3])N)Br 34a_100010075205_200025704644 [0,2,0,0,0,0|0,0,0]=2 7129 B14R1.2287 COC(=O)c1cc(c(cc1O[13CH3])N)Br 7a_100010075205_200025704644 [0,2,0,0,0,0|0,0,0]=2 7130 B14R1.2287 COC(=O)c1cc(c(cc1SC)Br)F 62a_100014686389_200000210301 [0,2,0,0,0,0|0,1,0]=3 7131 B14R1.2287 COC(=O)c1cc(c(cc1SC)Br)F 62a_200000210301_100014686389 [0,2,0,0,0,0|0,1,0]=3 7132 B14R1.2287 COC(=O)c1cc(c(cc1SC)C)F 62a_100015763395_200000210301 [0,2,0,0,0,0|0,1,0]=3 7133 B14R1.2287 COC(=O)c1cc(c(cc1SC)C)F 62a_200000210301_100015763395 [0,2,0,0,0,0|0,1,0]=3 7134 B14R1.2287 COC(=O)c1cc(c(cc1SC)C)N 62a_100000730709_200000210301 [0,2,0,0,0,0|0,1,0]=3 7135 B14R1.2287 COC(=O)c1cc(c(cc1SC)C)N 62a_200000210301_100000730709 [0,2,0,0,0,0|0,1,0]=3 7136 B14R1.2287 COC(=O)c1cc(c(cc1SC)Cl)Br 62a_200000210301_200012920379 [0,2,0,0,0,0|0,1,0]=3 7137 B14R1.2287 COC(=O)c1cc(c(cc1SC)Cl)Br 62a_200012920379_200000210301 [0,2,0,0,0,0|0,1,0]=3 7138 B14R1.2287 COC(=O)c1cc(c(cc1SC)F)C 62a_100015451887_200000210301 [0,2,0,0,0,0|0,1,0]=3 7139 B14R1.2287 COC(=O)c1cc(c(cc1SC)F)C 62a_200000210301_100015451887 [0,2,0,0,0,0|0,1,0]=3 7140 B14R1.2287 COC(=O)c1cc(c(cc1SC)F)F 62a_100010195689_200000210301 [0,2,0,0,0,0|0,1,0]=3 7141 B14R1.2287 COC(=O)c1cc(c(cc1SC)F)F 62a_200000210301_100010195689 [0,2,0,0,0,0|0,1,0]=3 7142 B14R1.2287 COC(=O)c1cc(c(cc1SC)N)F 62a_100010764352_200000210301 [0,2,0,0,0,0|0,1,0]=3 7143 B14R1.2287 COC(=O)c1cc(c(cc1S[13CH3])Br)F 62a_100014686389_200025704644 [0,2,0,0,0,0|0,1,0]=3 7144 B14R1.2287 COC(=O)c1cc(c(cc1S[13CH3])Br)F 62a_200025704644_100014686389 [0,2,0,0,0,0|0,1,0]=3 7145 B14R1.2287 COC(=O)c1cc(c(cc1S[13CH3])C)F 62a_100015763395_200025704644 [0,2,0,0,0,0|0,1,0]=3 7146 B14R1.2287 COC(=O)c1cc(c(cc1S[13CH3])C)F 62a_200025704644_100015763395 [0,2,0,0,0,0|0,1,0]=3 7147 B14R1.2287 COC(=O)c1cc(c(cc1S[13CH3])C)N 62a_100000730709_200025704644 [0,2,0,0,0,0|0,1,0]=3 7148 B14R1.2287 COC(=O)c1cc(c(cc1S[13CH3])C)N 62a_200025704644_100000730709 [0,2,0,0,0,0|0,1,0]=3 7149 B14R1.2287 COC(=O)c1cc(c(cc1S[13CH3])Cl)Br 62a_200012920379_200025704644 [0,2,0,0,0,0|0,1,0]=3 7150 B14R1.2287 COC(=O)c1cc(c(cc1S[13CH3])Cl)Br 62a_200025704644_200012920379 [0,2,0,0,0,0|0,1,0]=3 7151 B14R1.2287 COC(=O)c1cc(c(cc1S[13CH3])F)C 62a_100015451887_200025704644 [0,2,0,0,0,0|0,1,0]=3 7152 B14R1.2287 COC(=O)c1cc(c(cc1S[13CH3])F)C 62a_200025704644_100015451887 [0,2,0,0,0,0|0,1,0]=3 7153 B14R1.2287 COC(=O)c1cc(c(cc1S[13CH3])F)F 62a_100010195689_200025704644 [0,2,0,0,0,0|0,1,0]=3 7154 B14R1.2287 COC(=O)c1cc(c(cc1S[13CH3])F)F 62a_200025704644_100010195689 [0,2,0,0,0,0|0,1,0]=3 7155 B14R1.2287 COC(=O)c1cc(c(cc1S[13CH3])N)F 62a_100010764352_200025704644 [0,2,0,0,0,0|0,1,0]=3 7156 B14R1.2287 COC(=O)c1cc(c(nc1SC)C)F 62a_100011155941_200000210301 [0,2,0,0,0,0|1,1,0]=4 7157 B14R1.2287 COC(=O)c1cc(c(nc1SC)C)F 62a_200000210301_100011155941 [0,2,0,0,0,0|1,1,0]=4 7158 B14R1.2287 COC(=O)c1cc(c(nc1S[13CH3])C)F 62a_100011155941_200025704644 [0,2,0,0,0,0|1,1,0]=4 7159 B14R1.2287 COC(=O)c1cc(c(nc1S[13CH3])C)F 62a_200025704644_100011155941 [0,2,0,0,0,0|1,1,0]=4 7160 B14R1.2287 COc1cc(c(cc1C(=O)CF)Br)C 1458a_100000728833_100015361967 [0,2,0,0,0,0|2,0,0]=4 7161 B14R1.2287 COc1cc(c(cc1C(=O)CF)Br)Cl 1458a_100000760434_100015361967 [0,2,0,0,0,0|2,0,0]=4 7162 B14R1.2287 COc1cc(c(cc1C(=O)CF)Br)F 1458a_100012355408_100015361967 [0,2,0,0,0,0|2,0,0]=4 7163 B14R1.2287 COc1cc(c(cc1C(=O)CF)Cl)Cl 1458a_100000684457_100015361967 [0,2,0,0,0,0|2,0,0]=4 7164 B14R1.2287 COc1cc(c(cc1C(=O)CF)Cl)I 1458a_200000738201_100015361967 [0,2,0,0,0,0|2,0,0]=4 7165 B14R1.2287 COc1cc(c(cc1C(=O)CF)F)Br 1458a_100010827335_100015361967 [0,2,0,0,0,0|2,0,0]=4 7166 B14R1.2287 COc1cc(c(cc1C(=O)CF)F)F 1458a_100000062012_100015361967 [0,2,0,0,0,0|2,0,0]=4 7167 B14R1.2287 COc1cc(c(cc1C(=O)CF)I)Cl 1458a_100013369036_100015361967 [0,2,0,0,0,0|2,0,0]=4 7168 B14R1.2334 C=Cc1cc(c(cn1)C(=O)OC)OC 271570a_100011290941_100010062786 [0,2,0,0,0,0|1,0,0]=3 7169 B14R1.2334 C=Cc1cc(ccc1C(=O)OC)C#N 271570a_100011290941_100009832033 [0,2,0,0,0,0|1,0,1]=4 7170 B14R1.2334 C=Cc1cc(ccc1C(=O)OC)C=O 271570a_100011290941_100010630601 [0,2,0,0,0,0|1,0,1]=4 7171 B14R1.2334 C=Cc1cc(ccc1C(=O)OC)OC 271570a_100011290941_100009815674 [0,2,0,0,0,0|1,0,1]=4 7172 B14R1.2334 C=Cc1ccc(c(c1)C#N)C(=O)OC 271570a_100011290941_100010150794 [0,2,0,0,0,0|2,0,0]=4 7173 B14R1.2334 C=Cc1ccc(c(c1)C=O)C(=O)OC 271570a_100011290941_100010732994 [0,2,0,0,0,0|2,0,0]=4 7174 B14R1.2334 C=Cc1ccc(c(c1)NC)C(=O)OC 271570a_100011290941_200160487225 [0,2,0,0,0,0|1,0,0]=3 7175 B14R1.2334 C=Cc1ccc(c(c1)OC)C(=O)OC 271570a_100011290941_100000708095 [0,2,0,0,0,0|0,0,0]=2 7176 B14R1.2334 C=Cc1ccc(c(n1)OC)C(=O)OC 271570a_100011290941_100000703831 [0,2,0,0,0,0|1,0,0]=3 7177 B14R1.2334 C=Cc1cnc(c(c1)OC)C(=O)OC 271570a_100011290941_100010254911 [0,2,0,0,0,0|1,0,0]=3 7178 B14R1.2334 CCC(=O)c1ccc(cc1OC)C#N 1458a_100012002740_100000210202 [0,2,0,0,0,0|1,0,0]=3 7179 B14R1.2334 CCC(=O)c1ccc(cc1OC)OC 1458a_100000210807_100000210202 [0,2,0,0,0,0|1,0,0]=3 7180 B14R1.2334 CCC(=O)c1ccc(cc1OC)OC 7a_200000067515_200000210301 [0,2,0,0,0,0|1,0,0]=3 7181 B14R1.2334 CCC(=O)c1ccc(cc1OC)SC 1458a_100000211074_100000210202 [0,2,0,0,0,0|1,0,0]=3 7182 B14R1.2334 CCC(=O)c1ccc(cc1O[13CH3])OC 7a_200000067515_200025704644 [0,2,0,0,0,0|1,0,0]=3 7183 B14R1.2334 CNC(=O)c1ccc(cc1OC)C#N 11a_106832991635_100012002740 [0,2,0,0,0,0|1,0,0]=3 7184 B14R1.2334 CNC(=O)c1ccc(cc1OC)C#N 1626a_100102657272_100012002740 [0,2,0,0,0,0|1,0,0]=3 7185 B14R1.2334 CNC(=O)c1ccc(cc1OC)C#N 240690a_100102657272_100012002740 [0,2,0,0,0,0|1,0,0]=3 7186 B14R1.2334 CNC(=O)c1ccc(cc1OC)C#N 527a_100102657272_100012002740 [0,2,0,0,0,0|1,0,0]=3 7187 B14R1.2334 CNC(=O)c1ccc(cc1OC)NC 2230a_200011977860_200000210301 [0,2,0,0,0,0|1,0,0]=3 7188 B14R1.2334 CNC(=O)c1ccc(cc1OC)NC 34a_200011977860_200000210301 [0,2,0,0,0,0|1,0,0]=3 7189 B14R1.2334 CNC(=O)c1ccc(cc1OC)N[13CH3] 2230a_200011977860_200025704644 [0,2,0,0,0,0|1,0,0]=3 7190 B14R1.2334 CNC(=O)c1ccc(cc1OC)N[13CH3] 34a_200011977860_200025704644 [0,2,0,0,0,0|1,0,0]=3 7191 B14R1.2334 CNC(=O)c1ccc(cc1OC)OC 11a_106832991635_100000210807 [0,2,0,0,0,0|1,0,0]=3 7192 B14R1.2334 CNC(=O)c1ccc(cc1OC)OC 1626a_100102657272_100000210807 [0,2,0,0,0,0|1,0,0]=3 7193 B14R1.2334 CNC(=O)c1ccc(cc1OC)OC 240690a_100102657272_100000210807 [0,2,0,0,0,0|1,0,0]=3 7194 B14R1.2334 CNC(=O)c1ccc(cc1OC)OC 527a_100102657272_100000210807 [0,2,0,0,0,0|1,0,0]=3 7195 B14R1.2334 CNC(=O)c1ccc(cc1OC)SC 11a_106832991635_100000211074 [0,2,0,0,0,0|1,0,0]=3 7196 B14R1.2334 CNC(=O)c1ccc(cc1OC)SC 1626a_100102657272_100000211074 [0,2,0,0,0,0|1,0,0]=3 7197 B14R1.2334 CNC(=O)c1ccc(cc1OC)SC 240690a_100102657272_100000211074 [0,2,0,0,0,0|1,0,0]=3 7198 B14R1.2334 CNC(=O)c1ccc(cc1OC)SC 527a_100102657272_100000211074 [0,2,0,0,0,0|1,0,0]=3 7199 B14R1.2334 CNc1cc(ccc1C(=O)OC)SC 62a_200160487225_200000210301 [0,2,0,0,0,0|1,0,0]=3 7200 B14R1.2334 CNc1cc(ccc1C(=O)OC)S[13CH3] 62a_200160487225_200025704644 [0,2,0,0,0,0|1,0,0]=3 7201 B14R1.2334 CNc1ccc(c(n1)OC)C(=O)OC 27a_100102657272_100000703831 [0,2,0,0,0,0|1,0,0]=3 7202 B14R1.2334 COC(=O)c1ccc(cc1C#N)SC 62a_200000210301_100010150794 [0,2,0,0,0,0|2,0,0]=4 7203 B14R1.2334 COC(=O)c1ccc(cc1C#N)S[13CH3] 62a_200025704644_100010150794 [0,2,0,0,0,0|2,0,0]=4 7204 B14R1.2334 COC(=O)c1ccc(cc1C=O)SC 62a_100010732994_200000210301 [0,2,0,0,0,0|2,0,0]=4 7205 B14R1.2334 COC(=O)c1ccc(cc1C=O)S[13CH3] 62a_100010732994_200025704644 [0,2,0,0,0,0|2,0,0]=4 7206 B14R1.2334 COC(=O)c1ccc(cc1OC)OC 34a_100000082606_200000210301 [0,2,0,0,0,0|0,0,0]=2 7207 B14R1.2334 COC(=O)c1ccc(cc1OC)OC 34a_100000151117_200000210301 [0,2,0,0,0,0|0,0,0]=2 7208 B14R1.2334 COC(=O)c1ccc(cc1OC)OC 7a_100000082606_200000210301 [0,2,0,0,0,0|0,0,0]=2 7209 B14R1.2334 COC(=O)c1ccc(cc1OC)OC 7a_100000151117_200000210301 [0,2,0,0,0,0|0,0,0]=2 7210 B14R1.2334 COC(=O)c1ccc(cc1OC)O[13CH3] 34a_100000082606_200025704644 [0,2,0,0,0,0|0,0,0]=2 7211 B14R1.2334 COC(=O)c1ccc(cc1OC)O[13CH3] 7a_100000082606_200025704644 [0,2,0,0,0,0|0,0,0]=2 7212 B14R1.2334 COC(=O)c1ccc(cc1OC)SC 62a_100000708095_200000210301 [0,2,0,0,0,0|0,0,0]=2 7213 B14R1.2334 COC(=O)c1ccc(cc1OC)S[13CH3] 62a_100000708095_200025704644 [0,2,0,0,0,0|0,0,0]=2 7214 B14R1.2334 COC(=O)c1ccc(cc1O[13CH3])OC 34a_100000151117_200025704644 [0,2,0,0,0,0|0,0,0]=2 7215 B14R1.2334 COC(=O)c1ccc(cc1O[13CH3])OC 7a_100000151117_200025704644 [0,2,0,0,0,0|0,0,0]=2 7216 B14R1.2334 COC(=O)c1ccc(cc1SC)C#N 62a_200000210301_100009832033 [0,2,0,0,0,0|0,1,0]=3 7217 B14R1.2334 COC(=O)c1ccc(cc1SC)C=O 62a_100010630601_200000210301 [0,2,0,0,0,0|0,1,0]=3 7218 B14R1.2334 COC(=O)c1ccc(cc1SC)C=O 62a_200000210301_100010630601 [0,2,0,0,0,0|0,1,0]=3 7219 B14R1.2334 COC(=O)c1ccc(cc1SC)OC 62a_100009815674_200000210301 [0,2,0,0,0,0|0,1,0]=3 7220 B14R1.2334 COC(=O)c1ccc(cc1SC)OC 62a_200000210301_100009815674 [0,2,0,0,0,0|0,1,0]=3 7221 B14R1.2334 COC(=O)c1ccc(cc1S[13CH3])C#N 62a_200025704644_100009832033 [0,2,0,0,0,0|0,1,0]=3 7222 B14R1.2334 COC(=O)c1ccc(cc1S[13CH3])C=O 62a_100010630601_200025704644 [0,2,0,0,0,0|0,1,0]=3 7223 B14R1.2334 COC(=O)c1ccc(cc1S[13CH3])C=O 62a_200025704644_100010630601 [0,2,0,0,0,0|0,1,0]=3 7224 B14R1.2334 COC(=O)c1ccc(cc1S[13CH3])OC 62a_100009815674_200025704644 [0,2,0,0,0,0|0,1,0]=3 7225 B14R1.2334 COC(=O)c1ccc(cc1S[13CH3])OC 62a_200025704644_100009815674 [0,2,0,0,0,0|0,1,0]=3 7226 B14R1.2334 COC(=O)c1ccc(nc1OC)SC 62a_100000703831_200000210301 [0,2,0,0,0,0|1,0,0]=3 7227 B14R1.2334 COC(=O)c1ccc(nc1OC)SC 62a_200000210301_100000703831 [0,2,0,0,0,0|1,0,0]=3 7228 B14R1.2334 COC(=O)c1ccc(nc1OC)S[13CH3] 62a_100000703831_200025704644 [0,2,0,0,0,0|1,0,0]=3 7229 B14R1.2334 COC(=O)c1ccc(nc1OC)S[13CH3] 62a_200025704644_100000703831 [0,2,0,0,0,0|1,0,0]=3 7230 B14R1.2334 COC(=O)c1ccc(nc1SC)C=O 62a_200000210301_200009848447 [0,2,0,0,0,0|1,1,0]=4 7231 B14R1.2334 COC(=O)c1ccc(nc1SC)C=O 62a_200009848447_200000210301 [0,2,0,0,0,0|1,1,0]=4 7232 B14R1.2334 COC(=O)c1ccc(nc1SC)OC 62a_100010136187_200000210301 [0,2,0,0,0,0|1,1,0]=4 7233 B14R1.2334 COC(=O)c1ccc(nc1SC)OC 62a_200000210301_100010136187 [0,2,0,0,0,0|1,1,0]=4 7234 B14R1.2334 COC(=O)c1ccc(nc1S[13CH3])C=O 62a_200009848447_200025704644 [0,2,0,0,0,0|1,1,0]=4 7235 B14R1.2334 COC(=O)c1ccc(nc1S[13CH3])C=O 62a_200025704644_200009848447 [0,2,0,0,0,0|1,1,0]=4 7236 B14R1.2334 COC(=O)c1ccc(nc1S[13CH3])OC 62a_100010136187_200025704644 [0,2,0,0,0,0|1,1,0]=4 7237 B14R1.2334 COC(=O)c1ccc(nc1S[13CH3])OC 62a_200025704644_100010136187 [0,2,0,0,0,0|1,1,0]=4 7238 B14R1.2334 COC(=O)c1cnc(cc1OC)SC 62a_100010062786_200000210301 [0,2,0,0,0,0|1,0,0]=3 7239 B14R1.2334 COC(=O)c1cnc(cc1OC)SC 62a_200000210301_100010062786 [0,2,0,0,0,0|1,0,0]=3 7240 B14R1.2334 COC(=O)c1cnc(cc1OC)S[13CH3] 62a_100010062786_200025704644 [0,2,0,0,0,0|1,0,0]=3 7241 B14R1.2334 COC(=O)c1cnc(cc1OC)S[13CH3] 62a_200025704644_100010062786 [0,2,0,0,0,0|1,0,0]=3 7242 B14R1.2334 COC(=O)c1cnc(cc1SC)OC 62a_100010136350_200000210301 [0,2,0,0,0,0|1,1,0]=4 7243 B14R1.2334 COC(=O)c1cnc(cc1SC)OC 62a_200000210301_100010136350 [0,2,0,0,0,0|1,1,0]=4 7244 B14R1.2334 COC(=O)c1cnc(cc1S[13CH3])OC 62a_100010136350_200025704644 [0,2,0,0,0,0|1,1,0]=4 7245 B14R1.2334 COC(=O)c1cnc(cc1S[13CH3])OC 62a_200025704644_100010136350 [0,2,0,0,0,0|1,1,0]=4 7246 B14R1.2334 COC(=O)c1ncc(cc1OC)SC 62a_100010254911_200000210301 [0,2,0,0,0,0|1,0,0]=3 7247 B14R1.2334 COC(=O)c1ncc(cc1OC)SC 62a_200000210301_100010254911 [0,2,0,0,0,0|1,0,0]=3 7248 B14R1.2334 COC(=O)c1ncc(cc1OC)S[13CH3] 62a_100010254911_200025704644 [0,2,0,0,0,0|1,0,0]=3 7249 B14R1.2334 COC(=O)c1ncc(cc1OC)S[13CH3] 62a_200025704644_100010254911 [0,2,0,0,0,0|1,0,0]=3 7250 B14R1.2334 COc1cc(ccc1C(=O)CF)C#N 1458a_100012002740_100015361967 [0,2,0,0,0,0|2,0,0]=4 7251 B14R1.2334 COc1cc(ccc1C(=O)CF)SC 1458a_100000211074_100015361967 [0,2,0,0,0,0|2,0,0]=4 7252 B14R1.2334 COc1ccc(c(c1)OC)C(=O)CF 1458a_100000210807_100015361967 [0,2,0,0,0,0|2,0,0]=4 7253 B14R1.2334 COc1ccc(c(c1)OC)C(=O)NN 34a_100000188385_200000210301 [0,2,0,0,0,0|2,0,0]=4 7254 B14R1.2334 COc1ccc(c(c1)O[13CH3])C(=O)NN 34a_100000188385_200025704644 [0,2,0,0,0,0|2,0,0]=4 7255 B14R1.3415 CNS(=O)(=O)c1ccc(cc1OC)Br 270084a_100102657272_100010245140 [0,2,0,0,0,0|2,0,0]=4 7256 B14R1.3415 CNS(=O)(=O)c1ccc(cc1OC)Br 274078a_100102657272_100010245140 [0,2,0,0,0,0|2,0,0]=4 7257 B14R1.3292 CNS(=O)(=O)c1cc(ccc1OC)Br 270084a_100102657272_100000211876 [0,2,0,0,0,0|2,0,0]=4 7258 B14R1.3292 CNS(=O)(=O)c1cc(ccc1OC)Br 274078a_100102657272_100000211876 [0,2,0,0,0,0|2,0,0]=4 7259 B14R1.3292 CNS(=O)(=O)c1cc(ccc1OC)Br 40a_100102657272_100010308039 [0,2,0,0,0,0|2,0,0]=4 7260 B14R1.3292 CNS(=O)(=O)c1cc(ccc1OC)C 270084a_100102657272_100000212199 [0,2,0,0,0,0|2,0,0]=4 7261 B14R1.3292 CNS(=O)(=O)c1cc(ccc1OC)C 274078a_100102657272_100000212199 [0,2,0,0,0,0|2,0,0]=4 7262 B14R1.3292 CNS(=O)(=O)c1cc(ccc1OC)Cl 270084a_100102657272_100000720650 [0,2,0,0,0,0|2,0,0]=4 7263 B14R1.3292 CNS(=O)(=O)c1cc(ccc1OC)Cl 274078a_100102657272_100000720650 [0,2,0,0,0,0|2,0,0]=4 7264 B14R1.3292 CNS(=O)(=O)c1cc(ccc1OC)F 270084a_100102657272_100011219153 [0,2,0,0,0,0|2,0,0]=4 7265 B14R1.3292 CNS(=O)(=O)c1cc(ccc1OC)F 274078a_100102657272_100011219153 [0,2,0,0,0,0|2,0,0]=4 7266 B14R1.3292 CNS(=O)(=O)c1cc(ccc1OC)O 271570a_203496583355_200000165164 [0,2,0,0,0,0|2,0,0]=4 7267 B14R1.2304 C=Cc1ccc(c(c1C(=O)OC)C)F 271570a_100011290941_100015681208 [0,2,0,0,0,0|1,0,1]=4 7268 B14R1.2304 C=Cc1ccc(c(c1C(=O)OC)C)N 271570a_100011290941_100000718917 [0,2,0,0,0,0|1,0,1]=4 7269 B14R1.2304 C=Cc1ccc(c(c1C(=O)OC)C)O 271570a_100011290941_100010074912 [0,2,0,0,0,0|1,0,1]=4 7270 B14R1.2304 C=Cc1ccc(c(c1C(=O)OC)F)Br 271570a_100011290941_100015883209 [0,2,0,0,0,0|1,0,1]=4 7271 B14R1.2304 C=Cc1ccc(c(c1C(=O)OC)F)C 271570a_100011290941_100010782293 [0,2,0,0,0,0|1,0,1]=4 7272 B14R1.2304 CCC(=O)c1c(ccc(c1C)Br)OC 1458a_200010273786_100000210202 [0,2,0,0,0,0|1,0,0]=3 7273 B14R1.2304 CCC(=O)c1c(ccc(c1F)Br)OC 1458a_100010782282_100000210202 [0,2,0,0,0,0|1,0,0]=3 7274 B14R1.2304 CCC(=O)c1c(ccc(c1F)F)OC 1458a_100000062122_100000210202 [0,2,0,0,0,0|1,0,0]=3 7275 B14R1.2304 CNC(=O)c1c(ccc(c1C)Br)OC 11a_106832991635_200010273786 [0,2,0,0,0,0|1,0,0]=3 7276 B14R1.2304 CNC(=O)c1c(ccc(c1C)Br)OC 240690a_100102657272_200010273786 [0,2,0,0,0,0|1,0,0]=3 7277 B14R1.2304 CNC(=O)c1c(ccc(c1C)Br)OC 527a_100102657272_200010273786 [0,2,0,0,0,0|1,0,0]=3 7278 B14R1.2304 CNC(=O)c1c(ccc(c1F)Br)OC 11a_106832991635_100010782282 [0,2,0,0,0,0|1,0,0]=3 7279 B14R1.2304 CNC(=O)c1c(ccc(c1F)Br)OC 240690a_100102657272_100010782282 [0,2,0,0,0,0|1,0,0]=3 7280 B14R1.2304 CNC(=O)c1c(ccc(c1F)Br)OC 527a_100102657272_100010782282 [0,2,0,0,0,0|1,0,0]=3 7281 B14R1.2304 CNC(=O)c1c(ccc(c1F)F)OC 11a_106832991635_100000062122 [0,2,0,0,0,0|1,0,0]=3 7282 B14R1.2304 CNC(=O)c1c(ccc(c1F)F)OC 1626a_100102657272_100000062122 [0,2,0,0,0,0|1,0,0]=3 7283 B14R1.2304 CNC(=O)c1c(ccc(c1F)F)OC 240690a_100102657272_100000062122 [0,2,0,0,0,0|1,0,0]=3 7284 B14R1.2304 CNC(=O)c1c(ccc(c1F)F)OC 527a_100102657272_100000062122 [0,2,0,0,0,0|1,0,0]=3 7285 B14R1.2304 COC(=O)c1c(ccc(c1C)F)SC 62a_100015681208_200000210301 [0,2,0,0,0,0|0,1,0]=3 7286 B14R1.2304 COC(=O)c1c(ccc(c1C)F)SC 62a_200000210301_100015681208 [0,2,0,0,0,0|0,1,0]=3 7287 B14R1.2304 COC(=O)c1c(ccc(c1C)F)S[13CH3] 62a_100015681208_200025704644 [0,2,0,0,0,0|0,1,0]=3 7288 B14R1.2304 COC(=O)c1c(ccc(c1C)F)S[13CH3] 62a_200025704644_100015681208 [0,2,0,0,0,0|0,1,0]=3 7289 B14R1.2304 COC(=O)c1c(ccc(c1C)N)SC 62a_100000718917_200000210301 [0,2,0,0,0,0|0,1,0]=3 7290 B14R1.2304 COC(=O)c1c(ccc(c1C)N)S[13CH3] 62a_100000718917_200025704644 [0,2,0,0,0,0|0,1,0]=3 7291 B14R1.2304 COC(=O)c1c(ccc(c1C)O)SC 62a_100010074912_200000210301 [0,2,0,0,0,0|0,1,0]=3 7292 B14R1.2304 COC(=O)c1c(ccc(c1C)O)SC 62a_200000210301_100010074912 [0,2,0,0,0,0|0,1,0]=3 7293 B14R1.2304 COC(=O)c1c(ccc(c1C)O)S[13CH3] 62a_100010074912_200025704644 [0,2,0,0,0,0|0,1,0]=3 7294 B14R1.2304 COC(=O)c1c(ccc(c1C)O)S[13CH3] 62a_200025704644_100010074912 [0,2,0,0,0,0|0,1,0]=3 7295 B14R1.2304 COC(=O)c1c(ccc(c1F)Br)SC 62a_100015883209_200000210301 [0,2,0,0,0,0|0,1,0]=3 7296 B14R1.2304 COC(=O)c1c(ccc(c1F)Br)SC 62a_200000210301_100015883209 [0,2,0,0,0,0|0,1,0]=3 7297 B14R1.2304 COC(=O)c1c(ccc(c1F)Br)S[13CH3] 62a_100015883209_200025704644 [0,2,0,0,0,0|0,1,0]=3 7298 B14R1.2304 COC(=O)c1c(ccc(c1F)Br)S[13CH3] 62a_200025704644_100015883209 [0,2,0,0,0,0|0,1,0]=3 7299 B14R1.2304 COC(=O)c1c(ccc(c1F)C)SC 62a_100010782293_200000210301 [0,2,0,0,0,0|0,1,0]=3 7300 B14R1.2304 COC(=O)c1c(ccc(c1F)C)SC 62a_200000210301_100010782293 [0,2,0,0,0,0|0,1,0]=3 7301 B14R1.2304 COC(=O)c1c(ccc(c1F)C)S[13CH3] 62a_100010782293_200025704644 [0,2,0,0,0,0|0,1,0]=3 7302 B14R1.2304 COC(=O)c1c(ccc(c1F)C)S[13CH3] 62a_200025704644_100010782293 [0,2,0,0,0,0|0,1,0]=3 7303 B14R1.2304 COc1ccc(c(c1C(=O)CF)C)Br 1458a_200010273786_100015361967 [0,2,0,0,0,0|2,0,0]=4 7304 B14R1.2304 COc1ccc(c(c1C(=O)CF)F)Br 1458a_100010782282_100015361967 [0,2,0,0,0,0|2,0,0]=4 7305 B14R1.2304 COc1ccc(c(c1C(=O)CF)F)F 1458a_100000062122_100015361967 [0,2,0,0,0,0|2,0,0]=4 7306 B14R1.2315 C=Cc1ccc(c(c1)C(=O)OC)C#N 271570a_100011290941_100010201442 [0,2,0,0,0,0|2,0,0]=4 7307 B14R1.2315 C=Cc1ccc(c(c1)C(=O)OC)C=O 271570a_100011290941_100012355575 [0,2,0,0,0,0|2,0,0]=4 7308 B14R1.2315 C=Cc1ccc(c(c1)C(=O)OC)CC 271570a_100011290941_100012360140 [0,2,0,0,0,0|1,0,0]=3 7309 B14R1.2315 C=Cc1ccc(c(c1)C(=O)OC)CN 271570a_100011290941_100016992124 [0,2,0,0,0,0|2,0,0]=4 7310 B14R1.2315 C=Cc1ccc(c(c1)C(=O)OC)NC 271570a_100011290941_200000216482 [0,2,0,0,0,0|1,0,0]=3 7311 B14R1.2315 C=Cc1ccc(c(c1)C(=O)OC)OC 271570a_100011290941_100012047238 [0,2,0,0,0,0|0,0,0]=2 7312 B14R1.2315 C=Cc1ccc(c(c1)C(=O)OC)SC 271570a_100011290941_200010204078 [0,2,0,0,0,0|0,1,0]=3 7313 B14R1.2315 C=Cc1ccc(c(n1)C(=O)OC)OC 271570a_100011290941_100010136180 [0,2,0,0,0,0|1,0,0]=3 7314 B14R1.2315 C=Cc1ccc(cc1C(=O)OC)C#N 271570a_100011290941_100009817095 [0,2,0,0,0,0|1,0,1]=4 7315 B14R1.2315 C=Cc1ccc(cc1C(=O)OC)C=O 271570a_100011290941_100013328361 [0,2,0,0,0,0|1,0,1]=4 7316 B14R1.2315 C=Cc1ccc(cc1C(=O)OC)CN 271570a_100011290941_100016988414 [0,2,0,0,0,0|1,0,1]=4 7317 B14R1.2315 C=Cc1ccc(cc1C(=O)OC)OC 271570a_100011290941_100000151459 [0,2,0,0,0,0|1,0,1]=4 7318 B14R1.2315 C=Cc1cnc(c(c1)C(=O)OC)OC 271570a_100011290941_100000698521 [0,2,0,0,0,0|1,0,0]=3 7319 B14R1.2315 C=Cc1cnc(c(n1)C(=O)OC)OC 271570a_100011290941_200010231768 [0,2,0,0,0,0|2,0,0]=4 7320 B14R1.2315 CCC(=O)c1cc(ccc1OC)C#N 1458a_100009859923_100000210202 [0,2,0,0,0,0|1,0,0]=3 7321 B14R1.2315 CCC(=O)c1cc(ccc1OC)OC 1458a_100000185243_100000210202 [0,2,0,0,0,0|1,0,0]=3 7322 B14R1.2315 CCc1ccc(cc1C(=O)OC)SC 62a_100012360140_200000210301 [0,2,0,0,0,0|1,0,0]=3 7323 B14R1.2315 CCc1ccc(cc1C(=O)OC)SC 62a_200000210301_100012360140 [0,2,0,0,0,0|1,0,0]=3 7324 B14R1.2315 CCc1ccc(cc1C(=O)OC)S[13CH3] 62a_100012360140_200025704644 [0,2,0,0,0,0|1,0,0]=3 7325 B14R1.2315 CCc1ccc(cc1C(=O)OC)S[13CH3] 62a_200025704644_100012360140 [0,2,0,0,0,0|1,0,0]=3 7326 B14R1.2315 CNC(=O)c1cc(ccc1NC)OC 34a_100000749796_200000210301 [0,2,0,0,0,0|2,0,0]=4 7327 B14R1.2315 CNC(=O)c1cc(ccc1N[13CH3])OC 34a_100000749796_200025704644 [0,2,0,0,0,0|2,0,0]=4 7328 B14R1.2315 CNC(=O)c1cc(ccc1OC)C#N 11a_106832991635_100009859923 [0,2,0,0,0,0|1,0,0]=3 7329 B14R1.2315 CNC(=O)c1cc(ccc1OC)C#N 1626a_100102657272_100009859923 [0,2,0,0,0,0|1,0,0]=3 7330 B14R1.2315 CNC(=O)c1cc(ccc1OC)C#N 240690a_100102657272_100009859923 [0,2,0,0,0,0|1,0,0]=3 7331 B14R1.2315 CNC(=O)c1cc(ccc1OC)C#N 527a_100102657272_100009859923 [0,2,0,0,0,0|1,0,0]=3 7332 B14R1.2315 CNC(=O)c1cc(ccc1OC)OC 11a_106832991635_100000185243 [0,2,0,0,0,0|1,0,0]=3 7333 B14R1.2315 CNC(=O)c1cc(ccc1OC)OC 1626a_100102657272_100000185243 [0,2,0,0,0,0|1,0,0]=3 7334 B14R1.2315 CNC(=O)c1cc(ccc1OC)OC 240690a_100102657272_100000185243 [0,2,0,0,0,0|1,0,0]=3 7335 B14R1.2315 CNC(=O)c1cc(ccc1OC)OC 527a_100102657272_100000185243 [0,2,0,0,0,0|1,0,0]=3 7336 B14R1.2315 CNc1ccc(cc1C(=O)OC)SC 62a_200000216482_200000210301 [0,2,0,0,0,0|1,0,0]=3 7337 B14R1.2315 CNc1ccc(cc1C(=O)OC)S[13CH3] 62a_200000216482_200025704644 [0,2,0,0,0,0|1,0,0]=3 7338 B14R1.2315 COC(=O)c1cc(ccc1C#N)SC 62a_200000210301_100010201442 [0,2,0,0,0,0|2,0,0]=4 7339 B14R1.2315 COC(=O)c1cc(ccc1C#N)S[13CH3] 62a_200025704644_100010201442 [0,2,0,0,0,0|2,0,0]=4 7340 B14R1.2315 COC(=O)c1cc(ccc1C=O)SC 62a_100012355575_200000210301 [0,2,0,0,0,0|2,0,0]=4 7341 B14R1.2315 COC(=O)c1cc(ccc1C=O)S[13CH3] 62a_100012355575_200025704644 [0,2,0,0,0,0|2,0,0]=4 7342 B14R1.2315 COC(=O)c1cc(ccc1CN)SC 62a_100016992124_200000210301 [0,2,0,0,0,0|2,0,0]=4 7343 B14R1.2315 COC(=O)c1cc(ccc1CN)SC 62a_200000210301_100016992124 [0,2,0,0,0,0|2,0,0]=4 7344 B14R1.2315 COC(=O)c1cc(ccc1CN)S[13CH3] 62a_100016992124_200025704644 [0,2,0,0,0,0|2,0,0]=4 7345 B14R1.2315 COC(=O)c1cc(ccc1CN)S[13CH3] 62a_200025704644_100016992124 [0,2,0,0,0,0|2,0,0]=4 7346 B14R1.2315 COC(=O)c1cc(ccc1OC)C#N 34a_100000076708_200000210301 [0,2,0,0,0,0|0,0,0]=2 7347 B14R1.2315 COC(=O)c1cc(ccc1OC)C#N 7a_100000076708_200000210301 [0,2,0,0,0,0|0,0,0]=2 7348 B14R1.2315 COC(=O)c1cc(ccc1OC)CN 34a_100000068129_200000210301 [0,2,0,0,0,0|0,0,0]=2 7349 B14R1.2315 COC(=O)c1cc(ccc1OC)CO 34a_100010674125_200000210301 [0,2,0,0,0,0|0,0,0]=2 7350 B14R1.2315 COC(=O)c1cc(ccc1OC)CO 7a_100010674125_200000210301 [0,2,0,0,0,0|0,0,0]=2 7351 B14R1.2315 COC(=O)c1cc(ccc1OC)OC 34a_100000151008_200000210301 [0,2,0,0,0,0|0,0,0]=2 7352 B14R1.2315 COC(=O)c1cc(ccc1OC)OC 7a_100000151008_200000210301 [0,2,0,0,0,0|0,0,0]=2 7353 B14R1.2315 COC(=O)c1cc(ccc1OC)SC 62a_100012047238_200000210301 [0,2,0,0,0,0|0,0,0]=2 7354 B14R1.2315 COC(=O)c1cc(ccc1OC)SC 62a_200000210301_100012047238 [0,2,0,0,0,0|0,0,0]=2 7355 B14R1.2315 COC(=O)c1cc(ccc1OC)S[13CH3] 62a_100012047238_200025704644 [0,2,0,0,0,0|0,0,0]=2 7356 B14R1.2315 COC(=O)c1cc(ccc1OC)S[13CH3] 62a_200025704644_100012047238 [0,2,0,0,0,0|0,0,0]=2 7357 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])C#N 34a_100000076708_200025704644 [0,2,0,0,0,0|0,0,0]=2 7358 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])C#N 7a_100000076708_200025704644 [0,2,0,0,0,0|0,0,0]=2 7359 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])CN 34a_100000068129_200025704644 [0,2,0,0,0,0|0,0,0]=2 7360 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])CO 34a_100010674125_200025704644 [0,2,0,0,0,0|0,0,0]=2 7361 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])CO 7a_100010674125_200025704644 [0,2,0,0,0,0|0,0,0]=2 7362 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])OC 34a_100000151008_200025704644 [0,2,0,0,0,0|0,0,0]=2 7363 B14R1.2315 COC(=O)c1cc(ccc1O[13CH3])OC 7a_100000151008_200025704644 [0,2,0,0,0,0|0,0,0]=2 7364 B14R1.2315 COC(=O)c1cc(ccc1SC)C#N 62a_200000210301_100009817095 [0,2,0,0,0,0|0,1,0]=3 7365 B14R1.2315 COC(=O)c1cc(ccc1SC)C=O 62a_100013328361_200000210301 [0,2,0,0,0,0|0,1,0]=3 7366 B14R1.2315 COC(=O)c1cc(ccc1SC)C=O 62a_200000210301_100013328361 [0,2,0,0,0,0|0,1,0]=3 7367 B14R1.2315 COC(=O)c1cc(ccc1SC)CN 62a_100016988414_200000210301 [0,2,0,0,0,0|0,1,0]=3 7368 B14R1.2315 COC(=O)c1cc(ccc1SC)CN 62a_200000210301_100016988414 [0,2,0,0,0,0|0,1,0]=3 7369 B14R1.2315 COC(=O)c1cc(ccc1SC)OC 62a_100000151459_200000210301 [0,2,0,0,0,0|0,1,0]=3 7370 B14R1.2315 COC(=O)c1cc(ccc1SC)OC 62a_200000210301_100000151459 [0,2,0,0,0,0|0,1,0]=3 7371 B14R1.2315 COC(=O)c1cc(ccc1SC)SC 62a_200010204078_200000210301 [0,2,0,0,0,0|0,1,0]=3 7372 B14R1.2315 COC(=O)c1cc(ccc1SC)S[13CH3] 62a_200010204078_200025704644 [0,2,0,0,0,0|0,1,0]=3 7373 B14R1.2315 COC(=O)c1cc(ccc1S[13CH3])C#N 62a_200025704644_100009817095 [0,2,0,0,0,0|0,1,0]=3 7374 B14R1.2315 COC(=O)c1cc(ccc1S[13CH3])C=O 62a_100013328361_200025704644 [0,2,0,0,0,0|0,1,0]=3 7375 B14R1.2315 COC(=O)c1cc(ccc1S[13CH3])C=O 62a_200025704644_100013328361 [0,2,0,0,0,0|0,1,0]=3 7376 B14R1.2315 COC(=O)c1cc(ccc1S[13CH3])CN 62a_100016988414_200025704644 [0,2,0,0,0,0|0,1,0]=3 7377 B14R1.2315 COC(=O)c1cc(ccc1S[13CH3])CN 62a_200025704644_100016988414 [0,2,0,0,0,0|0,1,0]=3 7378 B14R1.2315 COC(=O)c1cc(ccc1S[13CH3])OC 62a_100000151459_200025704644 [0,2,0,0,0,0|0,1,0]=3 7379 B14R1.2315 COC(=O)c1cc(ccc1S[13CH3])OC 62a_200025704644_100000151459 [0,2,0,0,0,0|0,1,0]=3 7380 B14R1.2315 COC(=O)c1cc(cnc1OC)SC 62a_100000698521_200000210301 [0,2,0,0,0,0|1,0,0]=3 7381 B14R1.2315 COC(=O)c1cc(cnc1OC)SC 62a_200000210301_100000698521 [0,2,0,0,0,0|1,0,0]=3 7382 B14R1.2315 COC(=O)c1cc(cnc1OC)S[13CH3] 62a_100000698521_200025704644 [0,2,0,0,0,0|1,0,0]=3 7383 B14R1.2315 COC(=O)c1cc(cnc1OC)S[13CH3] 62a_200025704644_100000698521 [0,2,0,0,0,0|1,0,0]=3 7384 B14R1.2315 COC(=O)c1cc(ncc1SC)OC 62a_100010178712_200000210301 [0,2,0,0,0,0|1,1,0]=4 7385 B14R1.2315 COC(=O)c1cc(ncc1SC)OC 62a_200000210301_100010178712 [0,2,0,0,0,0|1,1,0]=4 7386 B14R1.2315 COC(=O)c1cc(ncc1S[13CH3])OC 62a_100010178712_200025704644 [0,2,0,0,0,0|1,1,0]=4 7387 B14R1.2315 COC(=O)c1cc(ncc1S[13CH3])OC 62a_200025704644_100010178712 [0,2,0,0,0,0|1,1,0]=4 7388 B14R1.2315 COC(=O)c1cc(nnc1OC)SC 62a_200000210301_100020760348 [0,2,0,0,0,0|2,0,0]=4 7389 B14R1.2315 COC(=O)c1cc(nnc1OC)S[13CH3] 62a_200025704644_100020760348 [0,2,0,0,0,0|2,0,0]=4 7390 B14R1.2315 COC(=O)c1nc(ccc1OC)SC 62a_100010136180_200000210301 [0,2,0,0,0,0|1,0,0]=3 7391 B14R1.2315 COC(=O)c1nc(ccc1OC)SC 62a_200000210301_100010136180 [0,2,0,0,0,0|1,0,0]=3 7392 B14R1.2315 COC(=O)c1nc(ccc1OC)S[13CH3] 62a_100010136180_200025704644 [0,2,0,0,0,0|1,0,0]=3 7393 B14R1.2315 COC(=O)c1nc(ccc1OC)S[13CH3] 62a_200025704644_100010136180 [0,2,0,0,0,0|1,0,0]=3 7394 B14R1.2315 COC(=O)c1nc(ccc1SC)OC 62a_100010189643_200000210301 [0,2,0,0,0,0|1,1,0]=4 7395 B14R1.2315 COC(=O)c1nc(ccc1SC)OC 62a_200000210301_100010189643 [0,2,0,0,0,0|1,1,0]=4 7396 B14R1.2315 COC(=O)c1nc(ccc1S[13CH3])OC 62a_100010189643_200025704644 [0,2,0,0,0,0|1,1,0]=4 7397 B14R1.2315 COC(=O)c1nc(ccc1S[13CH3])OC 62a_200025704644_100010189643 [0,2,0,0,0,0|1,1,0]=4 7398 B14R1.2315 COC(=O)c1nc(cnc1OC)SC 62a_200000210301_200010231768 [0,2,0,0,0,0|2,0,0]=4 7399 B14R1.2315 COC(=O)c1nc(cnc1OC)SC 62a_200010231768_200000210301 [0,2,0,0,0,0|2,0,0]=4 7400 B14R1.2315 COC(=O)c1nc(cnc1OC)S[13CH3] 62a_200010231768_200025704644 [0,2,0,0,0,0|2,0,0]=4 7401 B14R1.2315 COC(=O)c1nc(cnc1OC)S[13CH3] 62a_200025704644_200010231768 [0,2,0,0,0,0|2,0,0]=4 7402 B14R1.2315 COc1ccc(c(c1)C(=O)CCl)OC 7a_100010402061_200000210301 [0,2,0,0,0,0|2,0,0]=4 7403 B14R1.2315 COc1ccc(c(c1)C(=O)CCl)O[13CH3] 7a_100010402061_200025704644 [0,2,0,0,0,0|2,0,0]=4 7404 B14R1.2315 COc1ccc(c(c1)C(=O)CF)OC 1458a_100000185243_100015361967 [0,2,0,0,0,0|2,0,0]=4 7405 B14R1.2315 COc1ccc(c(c1)C(C)OC)OC 34a_100000246477_200000210301 [0,2,0,0,0,0|1,0,1]=4 7406 B14R1.2315 COc1ccc(c(c1)C(C)OC)OC 7a_100000246477_200000210301 [0,2,0,0,0,0|1,0,1]=4 7407 B14R1.2315 COc1ccc(c(c1)C(C)O[13CH3])OC 34a_100000246477_200025704644 [0,2,0,0,0,0|1,0,1]=4 7408 B14R1.2315 COc1ccc(c(c1)C(C)O[13CH3])OC 7a_100000246477_200025704644 [0,2,0,0,0,0|1,0,1]=4 7409 B14R1.2315 COc1ccc(cc1C(=O)CF)C#N 1458a_100009859923_100015361967 [0,2,0,0,0,0|2,0,0]=4 7410 B14R1.2167 C=Cc1cccc(c1C(=O)OC)C#N 271570a_100011290941_100009843633 [0,2,0,0,0,0|1,0,1]=4 7411 B14R1.2167 C=Cc1cccc(c1C(=O)OC)OC 271570a_100011290941_100010189552 [0,2,0,0,0,0|0,0,0]=2 7412 B14R1.2167 C=Cc1ccnc(c1C(=O)OC)OC 271570a_100011290941_100010136349 [0,2,0,0,0,0|1,0,0]=3 7413 B14R1.2167 C=Cc1nccc(c1C(=O)OC)OC 271570a_100011290941_200010142525 [0,2,0,0,0,0|1,0,0]=3 7414 B14R1.2167 CCC(=O)c1c(cccc1CC)CC 1458a_100000092080_100000210202 [0,2,0,0,0,0|2,0,0]=4 7415 B14R1.2167 CCC(=O)c1c(cccc1OC)OC 1458a_100000188675_100000210202 [0,2,0,0,0,0|1,0,0]=3 7416 B14R1.2167 CCc1cccc(c1C(=O)NC)CC 11a_106832991635_100000092080 [0,2,0,0,0,0|2,0,0]=4 7417 B14R1.2167 CCc1cccc(c1C(=O)NC)CC 1626a_100102657272_100000092080 [0,2,0,0,0,0|2,0,0]=4 7418 B14R1.2167 CCc1cccc(c1C(=O)NC)CC 240690a_100102657272_100000092080 [0,2,0,0,0,0|2,0,0]=4 7419 B14R1.2167 CNC(=O)c1c(cccc1OC)OC 11a_106832991635_100000188675 [0,2,0,0,0,0|1,0,0]=3 7420 B14R1.2167 CNC(=O)c1c(cccc1OC)OC 240690a_100102657272_100000188675 [0,2,0,0,0,0|1,0,0]=3 7421 B14R1.2167 CNC(=O)c1c(cccc1OC)OC 527a_100102657272_100000188675 [0,2,0,0,0,0|1,0,0]=3 7422 B14R1.2167 COC(=O)c1c(cccc1OC)OC 34a_200000082631_200000210301 [0,2,0,0,0,0|0,0,0]=2 7423 B14R1.2167 COC(=O)c1c(cccc1OC)OC 7a_200000082631_200000210301 [0,2,0,0,0,0|0,0,0]=2 7424 B14R1.2167 COC(=O)c1c(cccc1O[13CH3])OC 34a_200000082631_200025704644 [0,2,0,0,0,0|0,0,0]=2 7425 B14R1.2167 COC(=O)c1c(cccc1O[13CH3])OC 7a_200000082631_200025704644 [0,2,0,0,0,0|0,0,0]=2 7426 B14R1.2167 COC(=O)c1c(cccc1SC)C#N 62a_200000210301_100009843633 [0,2,0,0,0,0|0,1,0]=3 7427 B14R1.2167 COC(=O)c1c(cccc1SC)OC 62a_100010189552_200000210301 [0,2,0,0,0,0|0,0,0]=2 7428 B14R1.2167 COC(=O)c1c(cccc1S[13CH3])C#N 62a_200025704644_100009843633 [0,2,0,0,0,0|0,1,0]=3 7429 B14R1.2167 COC(=O)c1c(cccc1S[13CH3])OC 62a_100010189552_200025704644 [0,2,0,0,0,0|0,0,0]=2 7430 B14R1.2167 COC(=O)c1c(ccnc1OC)SC 62a_200000210301_100010136349 [0,2,0,0,0,0|1,0,0]=3 7431 B14R1.2167 COC(=O)c1c(ccnc1OC)S[13CH3] 62a_200025704644_100010136349 [0,2,0,0,0,0|1,0,0]=3 7432 B14R1.2167 COC(=O)c1c(ccnc1SC)OC 62a_200000210301_200010142525 [0,2,0,0,0,0|1,0,0]=3 7433 B14R1.2167 COC(=O)c1c(ccnc1S[13CH3])OC 62a_200025704644_200010142525 [0,2,0,0,0,0|1,0,0]=3 7434 B14R1.2167 COc1cccc(c1C(=O)CF)OC 1458a_100000188675_100015361967 [0,2,0,0,0,0|2,0,0]=4 7435 B12R1.63 C=Cc1cc(nn1C)C(=O)OC 271570a_100011290941_100010367948 [0,0,1,1,0,0|2,0,0]=4 7436 B12R1.63 C=Cc1sc(cc1C)C(=O)OC 271570a_100011290941_100011219469 [0,0,1,1,0,0|2,0,0]=4 7437 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [0,0,1,1,0,0|2,0,0]=4 7438 B12R1.435 C=Cc1cc(ccn1)C(=O)OC 271570a_100011290941_100011934382 [0,0,1,1,0,0|2,0,0]=4 7439 B12R1.435 C=Cc1cc(cnn1)C(=O)OC 271570a_100011290941_100009862058 [0,0,1,1,0,0|2,0,0]=4 7440 B12R1.435 C=Cc1cccc(c1)C(=O)OC 271570a_100011290941_100000148679 [0,0,1,1,0,0|1,0,1]=4 7441 B12R1.435 C=Cc1cncc(c1)C(=O)OC 271570a_100011290941_100000148912 [0,0,1,1,0,0|1,0,1]=4 7442 B12R1.1879 C=Cc1c(cccc1OC)OC 271570a_100011290941_100000050062 [0,0,1,1,0,0|1,0,0]=3 7443 B12R1.1879 C=Cc1c(ccnc1OC)OC 271570a_100011290941_100010114374 [0,0,1,1,0,0|1,0,0]=3 7444 B12R1.1879 C=Cc1c(cncc1OC)OC 271570a_100011290941_200010191558 [0,0,1,1,0,0|2,0,0]=4 7445 B12R1.1879 C=Cc1c(cnnc1OC)OC 271570a_100011290941_100009871623 [0,0,1,1,0,0|2,0,0]=4 7446 B12R1.1879 C=Cc1c(ncnc1OC)OC 271570a_100011290941_100009995502 [0,0,1,1,0,0|2,0,0]=4 7447 B12R1.58 C=Cc1cc(cc(c1)OC)OC 271570a_100011290941_100000685218 [0,0,1,1,0,0|1,0,0]=3 7448 B12R1.58 C=Cc1cc(cc(c1)SC)OC 271570a_100011290941_200010709149 [0,0,1,1,0,0|1,1,0]=4 7449 B12R1.58 C=Cc1cc(cc(n1)OC)OC 271570a_100011290941_100010008354 [0,0,1,1,0,0|1,0,0]=3 7450 B12R1.58 C=Cc1cc(nc(n1)OC)OC 271570a_100011290941_100000038909 [0,0,1,1,0,0|2,0,0]=4 7451 B12R1.58 C=Cc1nc(cc(n1)OC)OC 271570a_100011290941_100000758842 [0,0,1,1,0,0|2,0,0]=4 7452 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [1,0,0,1,0,0|1,0,1]=4 7453 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [1,0,0,1,0,0|1,0,1]=4 7454 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [1,0,0,1,0,0|1,0,1]=4 7455 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [1,0,0,1,0,0|0,1,1]=4 7456 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [1,0,0,1,0,0|0,1,1]=4 7457 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [1,0,0,1,0,0|0,1,1]=4 7458 B12R2.1 CSc1noc2c1cccc2 62a_200000210301_200000703156 [1,0,0,1,0,0|1,1,0]=4 7459 B12R2.1 CSc1noc2c1cccc2 62a_200000703156_200000210301 [1,0,0,1,0,0|1,1,0]=4 7460 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [1,0,0,1,0,0|1,0,1]=4 7461 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [1,0,0,1,0,0|1,0,1]=4 7462 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [1,0,0,1,0,0|1,0,1]=4 7463 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [1,0,0,1,0,0|0,1,1]=4 7464 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [1,0,0,1,0,0|0,1,1]=4 7465 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [1,0,0,1,0,0|0,1,1]=4 7466 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200000703156_200025704644 [1,0,0,1,0,0|1,1,0]=4 7467 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200025704644_200000703156 [1,0,0,1,0,0|1,1,0]=4 7468 B12R2.315 CNc1cccc2c1COC2 2230a_100000125316_200000210301 [1,0,0,1,0,0|1,0,1]=4 7469 B12R2.315 CNc1cccc2c1COC2 34a_100000125316_200000210301 [1,0,0,1,0,0|1,0,1]=4 7470 B12R2.315 COc1cccc2c1CCC2 34a_100000074356_200000210301 [1,0,0,1,0,0|1,0,1]=4 7471 B12R2.315 COc1cccc2c1CCC2 7a_100000074356_200000210301 [1,0,0,1,0,0|1,0,1]=4 7472 B12R2.315 COc1cccc2c1CNC2 34a_100015191671_200000210301 [1,0,0,1,0,0|1,0,1]=4 7473 B12R2.315 COc1cccc2c1cc[nH]2 34a_100000763377_200000210301 [1,0,0,1,0,0|2,0,0]=4 7474 B12R2.315 COc1cccc2c1ccs2 34a_100000077759_200000210301 [1,0,0,1,0,0|2,0,0]=4 7475 B12R2.315 COc1cccc2c1ccs2 7a_100000077759_200000210301 [1,0,0,1,0,0|2,0,0]=4 7476 B12R2.315 CSc1cccc2c1COC2 62a_100010384907_200000210301 [1,0,0,1,0,0|0,1,1]=4 7477 B12R2.315 CSc1cccc2c1COC2 62a_200000210301_100010384907 [1,0,0,1,0,0|0,1,1]=4 7478 B12R2.315 [13CH3]Nc1cccc2c1COC2 2230a_100000125316_200025704644 [1,0,0,1,0,0|1,0,1]=4 7479 B12R2.315 [13CH3]Nc1cccc2c1COC2 34a_100000125316_200025704644 [1,0,0,1,0,0|1,0,1]=4 7480 B12R2.315 [13CH3]Oc1cccc2c1CCC2 34a_100000074356_200025704644 [1,0,0,1,0,0|1,0,1]=4 7481 B12R2.315 [13CH3]Oc1cccc2c1CCC2 7a_100000074356_200025704644 [1,0,0,1,0,0|1,0,1]=4 7482 B12R2.315 [13CH3]Oc1cccc2c1CNC2 34a_100015191671_200025704644 [1,0,0,1,0,0|1,0,1]=4 7483 B12R2.315 [13CH3]Oc1cccc2c1cc[nH]2 34a_100000763377_200025704644 [1,0,0,1,0,0|2,0,0]=4 7484 B12R2.315 [13CH3]Oc1cccc2c1ccs2 34a_100000077759_200025704644 [1,0,0,1,0,0|2,0,0]=4 7485 B12R2.315 [13CH3]Oc1cccc2c1ccs2 7a_100000077759_200025704644 [1,0,0,1,0,0|2,0,0]=4 7486 B12R2.315 [13CH3]Sc1cccc2c1COC2 62a_100010384907_200025704644 [1,0,0,1,0,0|0,1,1]=4 7487 B12R2.315 [13CH3]Sc1cccc2c1COC2 62a_200025704644_100010384907 [1,0,0,1,0,0|0,1,1]=4 7488 B12R2.2048 COc1ccccc1C2CC2 271570a_100011220607_100000174000 [1,0,0,1,0,0|1,0,1]=4 7489 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [1,0,0,1,0,0|2,0,0]=4 7490 B12R2.203 O=C1CCc2c1c(ccc2)O 271570a_203496583355_100009816781 [1,0,0,1,0,0|1,0,0]=3 7491 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [1,0,0,1,0,0|2,0,0]=4 7492 B12R2.203 O=C1NCc2c1c(ccc2)O 271570a_203496583355_100000724024 [1,0,0,1,0,0|1,0,0]=3 7493 B12R2.203 O=C1OCc2c1c(ccc2)O 271570a_203496583355_100010132333 [1,0,0,1,0,0|0,0,0]=2 7494 B12R2.203 O=c1[nH][nH]c2c1c(ccc2)O 271570a_203496583355_100010170957 [1,0,0,1,0,0|2,0,0]=4 7495 B14R2.95 CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210202 [0,0,0,1,0,1|2,0,0]=4 7496 B14R2.95 CNC(=O)C1CCc2c1cccc2 11a_106832991635_100000750891 [0,0,0,1,0,1|2,0,0]=4 7497 B14R2.95 CNC(=O)C1CCc2c1cccc2 1626a_100102657272_100000750891 [0,0,0,1,0,1|2,0,0]=4 7498 B14R2.95 CNC(=O)C1CCc2c1cccc2 240690a_100102657272_100000750891 [0,0,0,1,0,1|2,0,0]=4 7499 B14R2.95 CNC(=O)C1CCc2c1cccc2 527a_100102657272_100000750891 [0,0,0,1,0,1|2,0,0]=4 7500 B14R2.11647 CNc1nc2c(cccc2s1)OC 27a_100102657272_100010195968 [0,0,0,1,0,1|1,1,0]=4 7501 B14R2.11684 COc1cccc2c1NC(=O)CC2 34a_100000082220_200000210301 [0,0,0,1,0,1|1,0,0]=3 7502 B14R2.11684 COc1cccc2c1NC(=O)CO2 7a_100000098422_200000210301 [0,0,0,1,0,1|2,0,0]=4 7503 B14R2.11684 CSc1cccc2c1CC(=O)CC2 62a_100010006498_200000210301 [0,0,0,1,0,1|1,1,0]=4 7504 B14R2.11684 [13CH3]Oc1cccc2c1NC(=O)CC2 34a_100000082220_200025704644 [0,0,0,1,0,1|1,0,0]=3 7505 B14R2.11684 [13CH3]Oc1cccc2c1NC(=O)CO2 7a_100000098422_200025704644 [0,0,0,1,0,1|2,0,0]=4 7506 B14R2.11684 [13CH3]Sc1cccc2c1CC(=O)CC2 62a_100010006498_200025704644 [0,0,0,1,0,1|1,1,0]=4 7507 B14R2.3348 C=C(c1ccccc1OC)C2CC2 271570a_100010895485_100000174000 [0,1,0,1,0,0|2,0,0]=4 7508 B14R2.3348 COc1ccccc1C(=O)C2CC2 34a_100010648536_200000210301 [0,1,0,1,0,0|1,0,0]=3 7509 B14R2.3348 COc1ccccc1C(=O)C2CC2 7a_100010648536_200000210301 [0,1,0,1,0,0|1,0,0]=3 7510 B14R2.3348 [13CH3]Oc1ccccc1C(=O)C2CC2 34a_100010648536_200025704644 [0,1,0,1,0,0|1,0,0]=3 7511 B14R2.3348 [13CH3]Oc1ccccc1C(=O)C2CC2 7a_100010648536_200025704644 [0,1,0,1,0,0|1,0,0]=3 7512 B14R2.98 CCc1ccccc1C2=CCOC2 271570a_100009872500_100011215823 [0,1,0,1,0,0|2,0,0]=4 7513 B14R2.98 CCc1ccccc1C2=COCC2 271570a_100000118173_100011215823 [0,1,0,1,0,0|2,0,0]=4 7514 B14R2.98 CNc1ccccc1C2=CCOC2 271570a_100009872500_100020606079 [0,1,0,1,0,0|2,0,0]=4 7515 B14R2.98 CNc1ccccc1C2=COCC2 271570a_100000118173_100020606079 [0,1,0,1,0,0|2,0,0]=4 7516 B14R2.98 COc1ccccc1C2=CCCC2 271570a_100000089523_100000174000 [0,1,0,1,0,0|2,0,0]=4 7517 B14R2.98 COc1ccccc1C2=CCOC2 271570a_100009872500_100000174000 [0,1,0,1,0,0|1,0,0]=3 7518 B14R2.98 COc1ccccc1C2=COCC2 271570a_100000118173_100000174000 [0,1,0,1,0,0|1,0,0]=3 7519 B14R2.98 COc1ccccc1c2ccco2 271570a_100000750936_100000174000 [0,1,0,1,0,0|1,0,1]=4 7520 B14R2.98 COc1ccccc1c2ccco2 271570a_100000756652_100009814098 [0,1,0,1,0,0|1,0,1]=4 7521 B14R2.98 COc1ccccc1c2ccno2 34a_100000031527_200000210301 [0,1,0,1,0,0|1,0,1]=4 7522 B14R2.98 COc1ccccc1c2ccoc2 271570a_100000756652_100011215275 [0,1,0,1,0,0|1,0,1]=4 7523 B14R2.98 COc1ccccc1c2ccoc2 271570a_100011218838_100000174000 [0,1,0,1,0,0|1,0,1]=4 7524 B14R2.98 COc1ccccc1c2cnco2 271570a_100000756652_100020591547 [0,1,0,1,0,0|1,0,1]=4 7525 B14R2.98 COc1ccccc1c2cnoc2 271570a_100000756652_100009815712 [0,1,0,1,0,0|2,0,0]=4 7526 B14R2.98 COc1ccccc1c2ncco2 271570a_100000756652_100011787736 [0,1,0,1,0,0|1,0,1]=4 7527 B14R2.98 COc1ccccc1c2nnco2 34a_100000013539_200000210301 [0,1,0,1,0,0|1,0,1]=4 7528 B14R2.98 COc1cccnc1C2=CCOC2 271570a_100009872500_100000690851 [0,1,0,1,0,0|2,0,0]=4 7529 B14R2.98 COc1cccnc1C2=COCC2 271570a_100000118173_100000690851 [0,1,0,1,0,0|2,0,0]=4 7530 B14R2.98 COc1ccncc1C2=CCOC2 271570a_100009872500_100011997281 [0,1,0,1,0,0|2,0,0]=4 7531 B14R2.98 COc1ccncc1C2=COCC2 271570a_100000118173_100011997281 [0,1,0,1,0,0|2,0,0]=4 7532 B14R2.98 COc1cnccc1C2=CCOC2 271570a_100009872500_100016988167 [0,1,0,1,0,0|2,0,0]=4 7533 B14R2.98 COc1cnccc1C2=COCC2 271570a_100000118173_100016988167 [0,1,0,1,0,0|2,0,0]=4 7534 B14R2.98 COc1ncccc1C2=CCOC2 271570a_100009872500_100000047025 [0,1,0,1,0,0|2,0,0]=4 7535 B14R2.98 COc1ncccc1C2=COCC2 271570a_100000118173_100000047025 [0,1,0,1,0,0|2,0,0]=4 7536 B14R2.98 CSc1ccccc1C2=CCOC2 271570a_100009872500_100011217816 [0,1,0,1,0,0|1,1,0]=4 7537 B14R2.98 CSc1ccccc1C2=COCC2 271570a_100000118173_100011217816 [0,1,0,1,0,0|1,1,0]=4 7538 B14R2.98 [13CH3]Oc1ccccc1c2ccno2 34a_100000031527_200025704644 [0,1,0,1,0,0|1,0,1]=4 7539 B14R2.98 [13CH3]Oc1ccccc1c2nnco2 34a_100000013539_200025704644 [0,1,0,1,0,0|1,0,1]=4 7540 B14R2.1131 COC1CCC(=O)c2c1cccc2 7a_100000100557_200000210301 [0,1,0,1,0,0|1,0,0]=3 7541 B14R2.1131 COc1ccc(c2c1cccc2)C 34a_100000074455_200000210301 [0,1,0,1,0,0|2,0,0]=4 7542 B14R2.1131 COc1ccc(c2c1cccc2)C 7a_100000074455_200000210301 [0,1,0,1,0,0|2,0,0]=4 7543 B14R2.1131 COc1nnc(c2c1cccc2)C 34a_100000183092_200000210301 [0,1,0,1,0,0|2,0,0]=4 7544 B14R2.1131 Cc1ccc(c2c1cccc2)O[13CH3] 34a_100000074455_200025704644 [0,1,0,1,0,0|2,0,0]=4 7545 B14R2.1131 Cc1ccc(c2c1cccc2)O[13CH3] 7a_100000074455_200025704644 [0,1,0,1,0,0|2,0,0]=4 7546 B14R2.1131 Cc1nnc(c2c1cccc2)O[13CH3] 34a_100000183092_200025704644 [0,1,0,1,0,0|2,0,0]=4 7547 B14R2.1131 [13CH3]OC1CCC(=O)c2c1cccc2 7a_100000100557_200025704644 [0,1,0,1,0,0|1,0,0]=3 7548 B14R2.11689 COc1cccc2c1c(n[nH]2)SC 62a_200000210301_100010231497 [0,1,0,1,0,0|1,1,0]=4 7549 B14R2.11689 COc1cccc2c1c(n[nH]2)S[13CH3] 62a_200025704644_100010231497 [0,1,0,1,0,0|1,1,0]=4 7550 B14R2.3822 CSc1c(ccc2c1C(=O)CC2)F 62a_200000210301_200010133456 [0,1,0,1,0,0|1,1,0]=4 7551 B14R2.3822 CSc1c(ccc2c1C(=O)CC2)F 62a_200010133456_200000210301 [0,1,0,1,0,0|1,1,0]=4 7552 B14R2.3822 CSc1c(ccc2c1C(=O)CC2)N 62a_100010218033_200000210301 [0,1,0,1,0,0|1,1,0]=4 7553 B14R2.3822 CSc1c(ccc2c1C(=O)CC2)N 62a_200000210301_100010218033 [0,1,0,1,0,0|1,1,0]=4 7554 B14R2.3822 [13CH3]Sc1c(ccc2c1C(=O)CC2)F 62a_200010133456_200025704644 [0,1,0,1,0,0|1,1,0]=4 7555 B14R2.3822 [13CH3]Sc1c(ccc2c1C(=O)CC2)F 62a_200025704644_200010133456 [0,1,0,1,0,0|1,1,0]=4 7556 B14R2.3822 [13CH3]Sc1c(ccc2c1C(=O)CC2)N 62a_100010218033_200025704644 [0,1,0,1,0,0|1,1,0]=4 7557 B14R2.3822 [13CH3]Sc1c(ccc2c1C(=O)CC2)N 62a_200025704644_100010218033 [0,1,0,1,0,0|1,1,0]=4 7558 B14R2.8038 CN1CCc2c(cccc2C1=O)O 271570a_203496583355_100010269134 [0,1,0,1,0,0|2,0,0]=4 7559 B14R2.10782 CCC(=O)c1cccc2c1CCC2 1458a_100000051556_100000210202 [0,1,0,1,0,0|2,0,0]=4 7560 B14R2.10782 CCC(=O)c1cccc2c1OCC2 1458a_100011216994_100000210202 [0,1,0,1,0,0|1,0,0]=3 7561 B14R2.10782 CCC(=O)c1cccc2c1OCO2 1458a_100000048783_100000210202 [0,1,0,1,0,0|1,0,0]=3 7562 B14R2.10782 CCC(=O)c1cccc2c1occ2 1458a_100000098497_100000210202 [0,1,0,1,0,0|1,0,1]=4 7563 B14R2.10782 CCC(=O)c1cccc2c1ocn2 1458a_100012186845_100000210202 [0,1,0,1,0,0|1,0,1]=4 7564 B14R2.10782 CNC(=O)c1cccc2c1CCC2 11a_106832991635_100000051556 [0,1,0,1,0,0|2,0,0]=4 7565 B14R2.10782 CNC(=O)c1cccc2c1CCC2 1626a_100102657272_100000051556 [0,1,0,1,0,0|2,0,0]=4 7566 B14R2.10782 CNC(=O)c1cccc2c1CCC2 240690a_100102657272_100000051556 [0,1,0,1,0,0|2,0,0]=4 7567 B14R2.10782 CNC(=O)c1cccc2c1CCC2 527a_100102657272_100000051556 [0,1,0,1,0,0|2,0,0]=4 7568 B14R2.10782 CNC(=O)c1cccc2c1OCC2 11a_106832991635_100011216994 [0,1,0,1,0,0|1,0,0]=3 7569 B14R2.10782 CNC(=O)c1cccc2c1OCC2 1626a_100102657272_100011216994 [0,1,0,1,0,0|1,0,0]=3 7570 B14R2.10782 CNC(=O)c1cccc2c1OCC2 240690a_100102657272_100011216994 [0,1,0,1,0,0|1,0,0]=3 7571 B14R2.10782 CNC(=O)c1cccc2c1OCC2 527a_100102657272_100011216994 [0,1,0,1,0,0|1,0,0]=3 7572 B14R2.10782 CNC(=O)c1cccc2c1OCO2 11a_106832991635_100000048783 [0,1,0,1,0,0|1,0,0]=3 7573 B14R2.10782 CNC(=O)c1cccc2c1OCO2 1626a_100102657272_100000048783 [0,1,0,1,0,0|1,0,0]=3 7574 B14R2.10782 CNC(=O)c1cccc2c1OCO2 240690a_100102657272_100000048783 [0,1,0,1,0,0|1,0,0]=3 7575 B14R2.10782 CNC(=O)c1cccc2c1OCO2 527a_100102657272_100000048783 [0,1,0,1,0,0|1,0,0]=3 7576 B14R2.10782 CNC(=O)c1cccc2c1occ2 11a_106832991635_100000098497 [0,1,0,1,0,0|1,0,1]=4 7577 B14R2.10782 CNC(=O)c1cccc2c1occ2 1626a_100102657272_100000098497 [0,1,0,1,0,0|1,0,1]=4 7578 B14R2.10782 CNC(=O)c1cccc2c1occ2 240690a_100102657272_100000098497 [0,1,0,1,0,0|1,0,1]=4 7579 B14R2.10782 CNC(=O)c1cccc2c1occ2 527a_100102657272_100000098497 [0,1,0,1,0,0|1,0,1]=4 7580 B14R2.10782 CNC(=O)c1cccc2c1ocn2 11a_106832991635_100012186845 [0,1,0,1,0,0|1,0,1]=4 7581 B14R2.10782 CNC(=O)c1cccc2c1ocn2 1626a_100102657272_100012186845 [0,1,0,1,0,0|1,0,1]=4 7582 B14R2.10782 CNC(=O)c1cccc2c1ocn2 527a_100102657272_100012186845 [0,1,0,1,0,0|1,0,1]=4 7583 B14R2.10782 O=C(CF)c1cccc2c1OCC2 1458a_100011216994_100015361967 [0,1,0,1,0,0|2,0,0]=4 7584 B14R2.10782 O=C(CF)c1cccc2c1OCO2 1458a_100000048783_100015361967 [0,1,0,1,0,0|2,0,0]=4 7585 B14R2.536 C=C=Cc1cccc2c1C(=O)OC2 271570a_100015277604_100010132333 [0,1,0,1,0,0|1,0,1]=4 7586 B14R2.536 CC=Cc1cccc2c1C(=O)CC2 271570a_100016259895_100009816781 [0,1,0,1,0,0|2,0,0]=4 7587 B14R2.536 CC=Cc1cccc2c1C(=O)NC2 271570a_100016259895_100000724024 [0,1,0,1,0,0|2,0,0]=4 7588 B14R2.536 CC=Cc1cccc2c1C(=O)OC2 271570a_100016259895_100010132333 [0,1,0,1,0,0|1,0,0]=3 7589 B14R2.536 CCOc1cccc2c1C(=O)CC2 34a_100000066596_100000210202 [0,1,0,1,0,0|1,0,0]=3 7590 B14R2.536 CCOc1cccc2c1C(=O)CC2 7a_100000066596_100000210202 [0,1,0,1,0,0|1,0,0]=3 7591 B14R2.536 CCOc1cccc2c1C(=O)CO2 34a_200009856558_100000210202 [0,1,0,1,0,0|2,0,0]=4 7592 B14R2.536 CCSc1cccc2c1C(=O)CC2 62a_100000210202_100009816781 [0,1,0,1,0,0|1,1,0]=4 7593 B14R2.536 CCSc1cccc2c1C(=O)CC2 62a_100009816781_100000210202 [0,1,0,1,0,0|1,1,0]=4 7594 B14R2.536 CCSc1cccc2c1C(=O)NC2 62a_100000210202_100000724024 [0,1,0,1,0,0|1,1,0]=4 7595 B14R2.536 CCSc1cccc2c1C(=O)NC2 62a_100000724024_100000210202 [0,1,0,1,0,0|1,1,0]=4 7596 B14R2.536 CCSc1cccc2c1C(=O)OC2 62a_100010132333_100000210202 [0,1,0,1,0,0|0,1,0]=3 7597 B14R2.536 O=C1CCc2c1c(ccc2)OCF 34a_100000066596_100015361967 [0,1,0,1,0,0|1,0,0]=3 7598 B14R2.536 O=C1CCc2c1c(ccc2)OCF 7a_100000066596_100015361967 [0,1,0,1,0,0|1,0,0]=3 7599 B14R2.536 O=C1CCc2c1c(ccc2)SCF 62a_100009816781_100015361967 [0,1,0,1,0,0|1,1,0]=4 7600 B14R2.536 O=C1CCc2c1c(ccc2)SCF 62a_100015361967_100009816781 [0,1,0,1,0,0|1,1,0]=4 7601 B14R2.536 O=C1COc2c1c(ccc2)OCF 34a_200009856558_100015361967 [0,1,0,1,0,0|2,0,0]=4 7602 B14R2.536 O=C1NCc2c1c(ccc2)SCF 62a_100000724024_100015361967 [0,1,0,1,0,0|1,1,0]=4 7603 B14R2.536 O=C1NCc2c1c(ccc2)SCF 62a_100015361967_100000724024 [0,1,0,1,0,0|1,1,0]=4 7604 B14R2.536 O=C1OCc2c1c(ccc2)SCF 62a_100010132333_100015361967 [0,1,0,1,0,0|0,1,0]=3 7605 B14R2.1146 COc1cc(nc2c1cccc2)C 34a_100000698765_200000210301 [0,1,0,1,0,0|2,0,0]=4 7606 B14R2.1146 Cc1cc(c2ccccc2n1)O[13CH3] 34a_100000698765_200025704644 [0,1,0,1,0,0|2,0,0]=4 7607 B14R2.10655 CCC(=O)c1ccccc1C2CC2 1458a_100011688854_100000210202 [0,1,0,1,0,0|2,0,0]=4 7608 B14R2.10655 CNC(=O)c1ccccc1C2CC2 11a_106832991635_100011688854 [0,1,0,1,0,0|2,0,0]=4 7609 B14R2.10655 CNC(=O)c1ccccc1C2CC2 1626a_100102657272_100011688854 [0,1,0,1,0,0|2,0,0]=4 7610 B14R2.10655 CNC(=O)c1ccccc1C2CC2 271570a_100011220607_100000155073 [0,1,0,1,0,0|2,0,0]=4 7611 B14R2.10655 CNC(=O)c1ccccc1C2CC2 527a_100102657272_100011688854 [0,1,0,1,0,0|2,0,0]=4 7612 B14R2.10655 COC(=O)c1ccccc1C2CC2 271570a_100011220607_100000148710 [0,1,0,1,0,0|1,0,0]=3 7613 B14R2.10655 COC(=O)c1cccnc1C2CC2 271570a_100011220607_100000150852 [0,1,0,1,0,0|2,0,0]=4 7614 B14R2.10655 COC(=O)c1ccncc1C2CC2 271570a_100011220607_100010008606 [0,1,0,1,0,0|2,0,0]=4 7615 B14R2.10655 COC(=O)c1cnccc1C2CC2 271570a_100011220607_100020629055 [0,1,0,1,0,0|2,0,0]=4 7616 B14R2.10655 COC(=O)c1ncccc1C2CC2 271570a_100011220607_100011935214 [0,1,0,1,0,0|2,0,0]=4 7617 B14R2.92 CNC1CCc2ccccc2C1=O 2230a_106832991635_100000229917 [0,1,0,1,0,0|2,0,0]=4 7618 B14R2.92 CNC1CCc2ccccc2C1=O 34a_100102657272_100000229917 [0,1,0,1,0,0|2,0,0]=4 7619 B14R2.92 COC1CCc2ccccc2C1=O 34a_100138415774_100000229917 [0,1,0,1,0,0|1,0,0]=3 7620 B14R2.92 CSC1CCc2ccccc2C1=O 62a_100000229917_200000210301 [0,1,0,1,0,0|1,1,0]=4 7621 B14R2.92 CSC1CCc2ccccc2C1=O 62a_200000210301_100000229917 [0,1,0,1,0,0|1,1,0]=4 7622 B14R2.92 CSc1coc2ccccc2c1=O 62a_200000210301_100009813851 [0,1,0,1,0,0|0,1,1]=4 7623 B14R2.92 [13CH3]SC1CCc2ccccc2C1=O 62a_100000229917_200025704644 [0,1,0,1,0,0|1,1,0]=4 7624 B14R2.92 [13CH3]SC1CCc2ccccc2C1=O 62a_200025704644_100000229917 [0,1,0,1,0,0|1,1,0]=4 7625 B14R2.92 [13CH3]Sc1coc2ccccc2c1=O 62a_200025704644_100009813851 [0,1,0,1,0,0|0,1,1]=4 7626 B14R2.510 COCc1nn(c2c1cccc2)C 34a_100011934675_200000210301 [0,1,0,1,0,0|2,0,0]=4 7627 B14R2.510 Cn1nc(c2c1cccc2)CO[13CH3] 34a_100011934675_200025704644 [0,1,0,1,0,0|2,0,0]=4 7628 B14R2.7150 CCOC1CCOc2c1cccc2 7a_100000708930_100000210202 [0,1,0,1,0,0|1,0,1]=4 7629 B14R2.7150 FCOC1CCOc2c1cccc2 7a_100000708930_100015361967 [0,1,0,1,0,0|1,0,1]=4 7630 B14R2.11635 COc1cccc2c1c(=O)[nH]cc2 34a_200010358299_200000210301 [0,1,0,1,0,0|1,0,1]=4 7631 B14R2.11635 COc1cccc2c1c(=O)[nH]cc2 7a_200010358299_200000210301 [0,1,0,1,0,0|1,0,1]=4 7632 B14R2.11635 COc1cccc2c1c(=O)cco2 34a_100000040341_200000210301 [0,1,0,1,0,0|1,0,1]=4 7633 B14R2.11635 COc1cccc2c1c(=O)cco2 7a_100000040341_200000210301 [0,1,0,1,0,0|1,0,1]=4 7634 B14R2.11635 CSc1cccc2c1C(=O)CCC2 62a_100009816782_200000210301 [0,1,0,1,0,0|1,1,0]=4 7635 B14R2.11635 CSc1cccc2c1C(=O)CCC2 62a_200000210301_100009816782 [0,1,0,1,0,0|1,1,0]=4 7636 B14R2.11635 CSc1cccc2c1C(=O)CCO2 62a_100010205896_200000210301 [0,1,0,1,0,0|1,1,0]=4 7637 B14R2.11635 CSc1cccc2c1C(=O)CCO2 62a_200000210301_100010205896 [0,1,0,1,0,0|1,1,0]=4 7638 B14R2.11635 [13CH3]Oc1cccc2c1c(=O)[nH]cc2 34a_200010358299_200025704644 [0,1,0,1,0,0|1,0,1]=4 7639 B14R2.11635 [13CH3]Oc1cccc2c1c(=O)[nH]cc2 7a_200010358299_200025704644 [0,1,0,1,0,0|1,0,1]=4 7640 B14R2.11635 [13CH3]Oc1cccc2c1c(=O)cco2 34a_100000040341_200025704644 [0,1,0,1,0,0|1,0,1]=4 7641 B14R2.11635 [13CH3]Oc1cccc2c1c(=O)cco2 7a_100000040341_200025704644 [0,1,0,1,0,0|1,0,1]=4 7642 B14R2.11635 [13CH3]Sc1cccc2c1C(=O)CCC2 62a_100009816782_200025704644 [0,1,0,1,0,0|1,1,0]=4 7643 B14R2.11635 [13CH3]Sc1cccc2c1C(=O)CCC2 62a_200025704644_100009816782 [0,1,0,1,0,0|1,1,0]=4 7644 B14R2.11635 [13CH3]Sc1cccc2c1C(=O)CCO2 62a_100010205896_200025704644 [0,1,0,1,0,0|1,1,0]=4 7645 B14R2.11635 [13CH3]Sc1cccc2c1C(=O)CCO2 62a_200025704644_100010205896 [0,1,0,1,0,0|1,1,0]=4 7646 B14R2.11691 COc1cccc2c1C(=O)OC2=O 7a_100000042631_200000210301 [0,1,0,1,0,0|0,0,1]=3 7647 B14R2.11691 CSc1cccc2c1C(=O)OC2=O 62a_100010208102_200000210301 [0,1,0,1,0,0|0,1,1]=4 7648 B14R2.11691 [13CH3]Oc1cccc2c1C(=O)OC2=O 7a_100000042631_200025704644 [0,1,0,1,0,0|0,0,1]=3 7649 B14R2.11691 [13CH3]Sc1cccc2c1C(=O)OC2=O 62a_100010208102_200025704644 [0,1,0,1,0,0|0,1,1]=4 7650 B14R2.24350 C=C(C)c1cccc2c1C(=O)CC2 271570a_100000694244_100009816781 [0,1,0,1,0,0|2,0,0]=4 7651 B14R2.24350 C=C(C)c1cccc2c1C(=O)NC2 271570a_100000694244_100000724024 [0,1,0,1,0,0|2,0,0]=4 7652 B14R2.24350 C=C(C)c1cccc2c1C(=O)OC2 271570a_100000694244_100010132333 [0,1,0,1,0,0|1,0,0]=3 7653 B14R2.24350 CC(=O)c1cccc2c1C(=O)NC2 1458a_100000103835_200000210301 [0,1,0,1,0,0|2,0,0]=4 7654 B14R2.24350 [13CH3]C(=O)c1cccc2c1C(=O)NC2 1458a_100000103835_200025704644 [0,1,0,1,0,0|2,0,0]=4 7655 B14R2.1073 COC1CCOc2c1ccc(c2)Br 7a_100012676011_200000210301 [0,1,0,1,0,0|1,0,1]=4 7656 B14R2.1073 [13CH3]OC1CCOc2c1ccc(c2)Br 7a_100012676011_200025704644 [0,1,0,1,0,0|1,0,1]=4 7657 B14R2.1948 CNc1cc(cc2c1C(=O)CC2)F 27a_100102657272_100010079923 [0,1,0,1,0,0|2,0,0]=4 7658 B14R2.1948 CSc1cc(cc2c1C(=O)CC2)F 62a_100010079923_200000210301 [0,1,0,1,0,0|1,1,0]=4 7659 B14R2.1948 CSc1cc(cc2c1C(=O)CC2)F 62a_200000210301_100010079923 [0,1,0,1,0,0|1,1,0]=4 7660 B14R2.1948 CSc1cc(cc2c1C(=O)CC2)O 62a_200000210301_200010214548 [0,1,0,1,0,0|1,1,0]=4 7661 B14R2.1948 CSc1cc(cc2c1C(=O)CC2)O 62a_200010214548_200000210301 [0,1,0,1,0,0|1,1,0]=4 7662 B14R2.1948 [13CH3]Sc1cc(cc2c1C(=O)CC2)F 62a_100010079923_200025704644 [0,1,0,1,0,0|1,1,0]=4 7663 B14R2.1948 [13CH3]Sc1cc(cc2c1C(=O)CC2)F 62a_200025704644_100010079923 [0,1,0,1,0,0|1,1,0]=4 7664 B14R2.1948 [13CH3]Sc1cc(cc2c1C(=O)CC2)O 62a_200010214548_200025704644 [0,1,0,1,0,0|1,1,0]=4 7665 B14R2.1948 [13CH3]Sc1cc(cc2c1C(=O)CC2)O 62a_200025704644_200010214548 [0,1,0,1,0,0|1,1,0]=4 7666 B14R2.8719 O=C1CCCOc2c1ccc(c2)O 271570a_203496583355_100000735630 [0,1,0,1,0,0|1,0,0]=3 7667 B14R2.8719 O=C1NCCNc2c1ccc(c2)O 271570a_203496583355_200000725643 [0,1,0,1,0,0|2,0,0]=4 7668 B14R2.8719 O=C1NCCOc2c1ccc(c2)O 271570a_203496583355_200013358270 [0,1,0,1,0,0|1,0,0]=3 7669 B14R2.29369 CN1CCc2cc(ccc2C1=O)O 271570a_203496583355_100010299130 [0,1,0,1,0,0|2,0,0]=4 7670 B14R2.1759 COc1ccc(c2c1C(=O)CC2)Br 34a_100009816527_200000210301 [0,1,0,1,0,0|1,0,0]=3 7671 B14R2.1759 COc1ccc(c2c1C(=O)CC2)Br 7a_100009816527_200000210301 [0,1,0,1,0,0|1,0,0]=3 7672 B14R2.1759 COc1ccc(c2c1C(=O)CC2)C 34a_100000068735_200000210301 [0,1,0,1,0,0|1,0,0]=3 7673 B14R2.1759 COc1ccc(c2c1C(=O)CC2)C 7a_100000068735_200000210301 [0,1,0,1,0,0|1,0,0]=3 7674 B14R2.1759 COc1ccc(c2c1C(=O)CC2)Cl 34a_100000077558_200000210301 [0,1,0,1,0,0|1,0,0]=3 7675 B14R2.1759 COc1ccc(c2c1C(=O)CC2)Cl 7a_100000077558_200000210301 [0,1,0,1,0,0|1,0,0]=3 7676 B14R2.1759 COc1ccc(c2c1C(=O)CC2)O 271570a_203496583355_100012106140 [0,1,0,1,0,0|1,0,0]=3 7677 B14R2.1759 CSc1ccc(c2c1C(=O)CC2)F 62a_100000694073_200000210301 [0,1,0,1,0,0|1,1,0]=4 7678 B14R2.1759 CSc1ccc(c2c1C(=O)CC2)F 62a_200000210301_100000694073 [0,1,0,1,0,0|1,1,0]=4 7679 B14R2.1759 CSc1ccc(c2c1C(=O)CC2)O 62a_200000210301_200010133748 [0,1,0,1,0,0|1,1,0]=4 7680 B14R2.1759 CSc1ccc(c2c1C(=O)CC2)O 62a_200010133748_200000210301 [0,1,0,1,0,0|1,1,0]=4 7681 B14R2.1759 Cc1ccc(c2c1CCC2=O)O[13CH3] 34a_100000068735_200025704644 [0,1,0,1,0,0|1,0,0]=3 7682 B14R2.1759 Cc1ccc(c2c1CCC2=O)O[13CH3] 7a_100000068735_200025704644 [0,1,0,1,0,0|1,0,0]=3 7683 B14R2.1759 [13CH3]Oc1ccc(c2c1C(=O)CC2)Br 34a_100009816527_200025704644 [0,1,0,1,0,0|1,0,0]=3 7684 B14R2.1759 [13CH3]Oc1ccc(c2c1C(=O)CC2)Br 7a_100009816527_200025704644 [0,1,0,1,0,0|1,0,0]=3 7685 B14R2.1759 [13CH3]Oc1ccc(c2c1C(=O)CC2)Cl 34a_100000077558_200025704644 [0,1,0,1,0,0|1,0,0]=3 7686 B14R2.1759 [13CH3]Oc1ccc(c2c1C(=O)CC2)Cl 7a_100000077558_200025704644 [0,1,0,1,0,0|1,0,0]=3 7687 B14R2.1759 [13CH3]Sc1ccc(c2c1C(=O)CC2)F 62a_100000694073_200025704644 [0,1,0,1,0,0|1,1,0]=4 7688 B14R2.1759 [13CH3]Sc1ccc(c2c1C(=O)CC2)F 62a_200025704644_100000694073 [0,1,0,1,0,0|1,1,0]=4 7689 B14R2.1759 [13CH3]Sc1ccc(c2c1C(=O)CC2)O 62a_200010133748_200025704644 [0,1,0,1,0,0|1,1,0]=4 7690 B14R2.1759 [13CH3]Sc1ccc(c2c1C(=O)CC2)O 62a_200025704644_200010133748 [0,1,0,1,0,0|1,1,0]=4 7691 B14R2.5637 O=C1CCCCc2c1cc(cc2)O 271570a_203496583355_100011742502 [0,1,0,1,0,0|2,0,0]=4 7692 B14R2.5637 O=C1CCCNc2c1cc(cc2)O 271570a_203496583355_100010003710 [0,1,0,1,0,0|2,0,0]=4 7693 B14R2.5637 O=C1CCCOc2c1cc(cc2)O 271570a_203496583355_100000735629 [0,1,0,1,0,0|1,0,0]=3 7694 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [1,0,0,0,1,0|1,1,0]=4 7695 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [1,0,0,0,1,0|1,1,0]=4 7696 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [1,0,0,0,1,0|1,0,0]=3 7697 B10R1.149 COC(=O)c1[nH]cnc1O 271570a_203496583355_100010290838 [1,0,0,0,1,0|2,0,0]=4 7698 B10R1.149 COC(=O)c1[nH]ncc1O 271570a_203496583355_100011934057 [1,0,0,0,1,0|2,0,0]=4 7699 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [1,0,0,0,1,0|1,0,0]=3 7700 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [1,0,0,0,1,0|1,0,0]=3 7701 B10R1.149 COC(=O)c1cscc1O 271570a_203496583355_100012351140 [1,0,0,0,1,0|1,0,0]=3 7702 B10R1.149 COC(=O)c1ncsc1O 271570a_203496583355_100009816836 [1,0,0,0,1,0|2,0,0]=4 7703 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [1,0,0,0,1,0|1,0,0]=3 7704 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [1,0,0,0,1,0|1,0,0]=3 7705 B10R1.149 COC(=O)c1scnc1O 271570a_203496583355_100013370767 [1,0,0,0,1,0|2,0,0]=4 7706 B14R1.863 C#CC(=O)CCc1ccccc1OC 1458a_100000211873_100011713687 [0,0,0,0,0,2|1,0,1]=4 7707 B14R1.863 C#Cc1ccccc1NCC(=O)OC 34a_100011470550_100000747449 [0,0,0,0,0,2|1,0,1]=4 7708 B14R1.863 C#Cc1ccccc1OCC(=O)OC 34a_200011470546_100000747449 [0,0,0,0,0,2|1,0,1]=4 7709 B14R1.863 C#Cc1ccccc1OCC(=O)OC 7a_200011470546_100000747449 [0,0,0,0,0,2|1,0,1]=4 7710 B14R1.863 C=CC(=O)CCc1ccccc1OC 1458a_100000185746_100011713687 [0,0,0,0,0,2|1,0,1]=4 7711 B14R1.863 C=CC(=O)NCc1ccccc1OC 1626a_100000188900_100000185746 [0,0,0,0,0,2|1,0,1]=4 7712 B14R1.863 C=CC(=O)NCc1ccccc1OC 240690a_100000188900_200121576911 [0,0,0,0,0,2|1,0,1]=4 7713 B14R1.863 C=CC(=O)NNc1ccccc1OC 22a_100000751209_100000185746 [0,0,0,0,0,2|1,0,1]=4 7714 B14R1.863 C=Cc1ccccc1/C=C/C(=O)OC 271570a_100011290941_100000151022 [0,0,0,0,0,2|1,0,1]=4 7715 B14R1.863 C=Cc1ccccc1CCC(=O)OC 271570a_100011290941_100009815308 [0,0,0,0,0,2|1,0,1]=4 7716 B14R1.863 C=Cc1ccccc1NCC(=O)OC 34a_100012022501_100000747449 [0,0,0,0,0,2|1,0,1]=4 7717 B14R1.863 C=Cc1ccccc1OCC(=O)OC 271570a_100011290941_200000173920 [0,0,0,0,0,2|1,0,1]=4 7718 B14R1.863 C=Cc1ccccc1SCC(=O)OC 62a_100000747449_100011218376 [0,0,0,0,0,2|1,0,1]=4 7719 B14R1.863 C=Cc1ccccc1SCC(=O)OC 62a_100011218376_100000747449 [0,0,0,0,0,2|1,0,1]=4 7720 B14R1.863 CCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100000210202 [0,0,0,0,0,2|1,0,0]=3 7721 B14R1.863 CCC(=O)C=Cc1cccnc1OC 1458a_100102601226_100000210202 [0,0,0,0,0,2|2,0,0]=4 7722 B14R1.863 CCC(=O)CCc1ccccc1OC 1458a_100000184355_100000210202 [0,0,0,0,0,2|1,0,0]=3 7723 B14R1.863 CCC(=O)CCc1ccccc1OC 1458a_100000210414_100011713687 [0,0,0,0,0,2|1,0,0]=3 7724 B14R1.863 CCC(=O)CNc1ccccc1CC 7a_100000212081_100000747405 [0,0,0,0,0,2|2,0,0]=4 7725 B14R1.863 CCC(=O)COc1ccccc1CC 1458a_100000182566_100000210202 [0,0,0,0,0,2|2,0,0]=4 7726 B14R1.863 CCC(=O)COc1ccccc1CC 7a_100000210936_100000747405 [0,0,0,0,0,2|2,0,0]=4 7727 B14R1.863 CCC(=O)COc1ccccc1OC 1458a_100000182946_100000210202 [0,0,0,0,0,2|1,0,0]=3 7728 B14R1.863 CCC(=O)COc1cccnc1OC 7a_100000698397_100000747405 [0,0,0,0,0,2|2,0,0]=4 7729 B14R1.863 CCC(=O)CSc1ccccc1CC 62a_100000747405_100011215823 [0,0,0,0,0,2|2,0,0]=4 7730 B14R1.863 CCC(=O)CSc1ccccc1CC 62a_100011215823_100000747405 [0,0,0,0,0,2|2,0,0]=4 7731 B14R1.863 CCC(=O)CSc1ccccc1NC 62a_100000747405_100020606079 [0,0,0,0,0,2|2,0,0]=4 7732 B14R1.863 CCC(=O)CSc1ccccc1NC 62a_100020606079_100000747405 [0,0,0,0,0,2|2,0,0]=4 7733 B14R1.863 CCC(=O)CSc1ccccc1OC 62a_100000210334_100000747405 [0,0,0,0,0,2|1,0,0]=3 7734 B14R1.863 CCC(=O)CSc1ccccc1OC 62a_100000747405_100000210334 [0,0,0,0,0,2|1,0,0]=3 7735 B14R1.863 CCC(=O)CSc1ccccc1SC 62a_100000747405_100011217816 [0,0,0,0,0,2|1,1,0]=4 7736 B14R1.863 CCC(=O)CSc1ccccc1SC 62a_100011217816_100000747405 [0,0,0,0,0,2|1,1,0]=4 7737 B14R1.863 CCC(=O)CSc1cccnc1OC 62a_100000047025_100000747405 [0,0,0,0,0,2|2,0,0]=4 7738 B14R1.863 CCC(=O)CSc1cccnc1OC 62a_100000747405_100000047025 [0,0,0,0,0,2|2,0,0]=4 7739 B14R1.863 CCC(=O)CSc1ccncc1OC 62a_100000747405_100016988167 [0,0,0,0,0,2|2,0,0]=4 7740 B14R1.863 CCC(=O)CSc1ccncc1OC 62a_100016988167_100000747405 [0,0,0,0,0,2|2,0,0]=4 7741 B14R1.863 CCC(=O)CSc1cnccc1OC 62a_100000747405_100011997281 [0,0,0,0,0,2|2,0,0]=4 7742 B14R1.863 CCC(=O)CSc1cnccc1OC 62a_100011997281_100000747405 [0,0,0,0,0,2|2,0,0]=4 7743 B14R1.863 CCC(=O)CSc1ncccc1OC 62a_100000747405_100000690851 [0,0,0,0,0,2|2,0,0]=4 7744 B14R1.863 CCC(=O)CSc1ncccc1OC 62a_100000767102_100000747405 [0,0,0,0,0,2|2,0,0]=4 7745 B14R1.863 CCC(=O)NCc1ccccc1OC 11a_100000188900_100000210414 [0,0,0,0,0,2|1,0,0]=3 7746 B14R1.863 CCC(=O)NCc1ccccc1OC 1626a_100000188900_100000210414 [0,0,0,0,0,2|1,0,0]=3 7747 B14R1.863 CCC(=O)NCc1ccccc1OC 240690a_100000188900_100000210414 [0,0,0,0,0,2|1,0,0]=3 7748 B14R1.863 CCC(=O)NCc1ccccc1OC 527a_100000188900_100000210414 [0,0,0,0,0,2|1,0,0]=3 7749 B14R1.863 CCC(=O)NCc1ccccc1SC 11a_102495365025_100000210414 [0,0,0,0,0,2|1,1,0]=4 7750 B14R1.863 CCC(=O)NCc1ccccc1SC 1626a_102495365025_100000210414 [0,0,0,0,0,2|1,1,0]=4 7751 B14R1.863 CCC(=O)NCc1ccccc1SC 240690a_102495365025_100000210414 [0,0,0,0,0,2|1,1,0]=4 7752 B14R1.863 CCC(=O)NCc1ccccc1SC 527a_102495365025_100000210414 [0,0,0,0,0,2|1,1,0]=4 7753 B14R1.863 CCC(=O)NCc1cccnc1OC 11a_100102524934_100000210414 [0,0,0,0,0,2|2,0,0]=4 7754 B14R1.863 CCC(=O)NCc1cccnc1OC 1626a_100102524934_100000210414 [0,0,0,0,0,2|2,0,0]=4 7755 B14R1.863 CCC(=O)NCc1cccnc1OC 240690a_100102524934_100000210414 [0,0,0,0,0,2|2,0,0]=4 7756 B14R1.863 CCC(=O)NCc1cccnc1OC 527a_100102524934_100000210414 [0,0,0,0,0,2|2,0,0]=4 7757 B14R1.863 CCC(=O)NNc1ccccc1CC 22a_100000737054_100000210414 [0,0,0,0,0,2|2,0,0]=4 7758 B14R1.863 CCC(=O)NNc1ccccc1OC 22a_100000751209_100000210414 [0,0,0,0,0,2|1,0,0]=3 7759 B14R1.863 CCC(=O)NNc1cccnc1OC 22a_100159270702_100000210414 [0,0,0,0,0,2|2,0,0]=4 7760 B14R1.863 CCC(=O)NNc1ncccc1OC 22a_100012020716_100000210414 [0,0,0,0,0,2|2,0,0]=4 7761 B14R1.863 CCc1ccccc1NCC(=O)NC 2230a_100000212081_100000183359 [0,0,0,0,0,2|2,0,0]=4 7762 B14R1.863 CCc1ccccc1NCC(=O)NC 34a_100000212081_100000183359 [0,0,0,0,0,2|2,0,0]=4 7763 B14R1.863 CCc1ccccc1NCC(=O)NC 7a_100000212081_100000183359 [0,0,0,0,0,2|2,0,0]=4 7764 B14R1.863 CCc1ccccc1NCC(=O)OC 2230a_100000212081_100000747449 [0,0,0,0,0,2|1,0,0]=3 7765 B14R1.863 CCc1ccccc1NCC(=O)OC 34a_100000212081_100000747449 [0,0,0,0,0,2|1,0,0]=3 7766 B14R1.863 CCc1ccccc1NCC(=O)OC 7a_100000212081_100000747449 [0,0,0,0,0,2|1,0,0]=3 7767 B14R1.863 CCc1ccccc1NNC(=O)NC 273464a_100102657272_100000737054 [0,0,0,0,0,2|2,0,0]=4 7768 B14R1.863 CCc1ccccc1NNC(=O)NC 512a_106832991638_100000737054 [0,0,0,0,0,2|2,0,0]=4 7769 B14R1.863 CCc1ccccc1OCC(=O)NC 11a_106832991635_100000182566 [0,0,0,0,0,2|2,0,0]=4 7770 B14R1.863 CCc1ccccc1OCC(=O)NC 1626a_100102657272_100000182566 [0,0,0,0,0,2|2,0,0]=4 7771 B14R1.863 CCc1ccccc1OCC(=O)NC 240690a_100102657272_100000182566 [0,0,0,0,0,2|2,0,0]=4 7772 B14R1.863 CCc1ccccc1OCC(=O)NC 34a_100000210936_100000183359 [0,0,0,0,0,2|2,0,0]=4 7773 B14R1.863 CCc1ccccc1OCC(=O)NC 527a_100102657272_100000182566 [0,0,0,0,0,2|2,0,0]=4 7774 B14R1.863 CCc1ccccc1OCC(=O)NC 7a_100000210936_100000183359 [0,0,0,0,0,2|2,0,0]=4 7775 B14R1.863 CCc1ccccc1OCC(=O)OC 34a_100000210936_100000747449 [0,0,0,0,0,2|1,0,0]=3 7776 B14R1.863 CCc1ccccc1OCC(=O)OC 7a_100000210936_100000747449 [0,0,0,0,0,2|1,0,0]=3 7777 B14R1.863 CCc1ccccc1SCC(=O)NC 62a_100000183359_100011215823 [0,0,0,0,0,2|2,0,0]=4 7778 B14R1.863 CCc1ccccc1SCC(=O)NC 62a_100011215823_100000183359 [0,0,0,0,0,2|2,0,0]=4 7779 B14R1.863 CCc1ccccc1SCC(=O)OC 62a_100000747449_100011215823 [0,0,0,0,0,2|1,0,0]=3 7780 B14R1.863 CCc1ccccc1SCC(=O)OC 62a_100011215823_100000747449 [0,0,0,0,0,2|1,0,0]=3 7781 B14R1.863 CCc1ccncc1SCC(=O)OC 62a_100000747449_100009819861 [0,0,0,0,0,2|2,0,0]=4 7782 B14R1.863 CCc1ccncc1SCC(=O)OC 62a_100009819861_100000747449 [0,0,0,0,0,2|2,0,0]=4 7783 B14R1.863 CCc1cnccc1SCC(=O)OC 62a_100000747449_100025704421 [0,0,0,0,0,2|2,0,0]=4 7784 B14R1.863 CCc1cnccc1SCC(=O)OC 62a_100025704421_100000747449 [0,0,0,0,0,2|2,0,0]=4 7785 B14R1.863 CCc1ncccc1SCC(=O)OC 62a_100000747449_100009877225 [0,0,0,0,0,2|2,0,0]=4 7786 B14R1.863 CCc1ncccc1SCC(=O)OC 62a_100009877225_100000747449 [0,0,0,0,0,2|2,0,0]=4 7787 B14R1.863 CNC(=O)C=Cc1ccccc1OC 11a_106832991635_100000182468 [0,0,0,0,0,2|1,0,0]=3 7788 B14R1.863 CNC(=O)C=Cc1ccccc1OC 1626a_100102657272_100000182468 [0,0,0,0,0,2|1,0,0]=3 7789 B14R1.863 CNC(=O)C=Cc1cccnc1OC 11a_106832991635_100102601226 [0,0,0,0,0,2|2,0,0]=4 7790 B14R1.863 CNC(=O)C=Cc1cccnc1OC 1626a_100102657272_100102601226 [0,0,0,0,0,2|2,0,0]=4 7791 B14R1.863 CNC(=O)CCc1ccccc1NC 2230a_100011289560_200000210301 [0,0,0,0,0,2|2,0,0]=4 7792 B14R1.863 CNC(=O)CCc1ccccc1NC 34a_100011289560_200000210301 [0,0,0,0,0,2|2,0,0]=4 7793 B14R1.863 CNC(=O)CCc1ccccc1NC 7a_100011289560_200000210301 [0,0,0,0,0,2|2,0,0]=4 7794 B14R1.863 CNC(=O)CCc1ccccc1N[13CH3] 2230a_100011289560_200025704644 [0,0,0,0,0,2|2,0,0]=4 7795 B14R1.863 CNC(=O)CCc1ccccc1N[13CH3] 34a_100011289560_200025704644 [0,0,0,0,0,2|2,0,0]=4 7796 B14R1.863 CNC(=O)CCc1ccccc1N[13CH3] 7a_100011289560_200025704644 [0,0,0,0,0,2|2,0,0]=4 7797 B14R1.863 CNC(=O)CCc1ccccc1OC 11a_106832991635_100000184355 [0,0,0,0,0,2|1,0,0]=3 7798 B14R1.863 CNC(=O)CCc1ccccc1OC 1626a_100102657272_100000184355 [0,0,0,0,0,2|1,0,0]=3 7799 B14R1.863 CNC(=O)CCc1ccccc1OC 240690a_100102657272_100000184355 [0,0,0,0,0,2|1,0,0]=3 7800 B14R1.863 CNC(=O)CCc1ccccc1OC 527a_100102657272_100000184355 [0,0,0,0,0,2|1,0,0]=3 7801 B14R1.863 CNC(=O)CNc1ccccc1OC 34a_100000210025_100000183359 [0,0,0,0,0,2|1,0,0]=3 7802 B14R1.863 CNC(=O)CNc1ccccc1SC 34a_100000211160_100000183359 [0,0,0,0,0,2|1,1,0]=4 7803 B14R1.863 CNC(=O)COc1ccccc1NC 34a_100000033821_100000183359 [0,0,0,0,0,2|2,0,0]=4 7804 B14R1.863 CNC(=O)COc1ccccc1OC 11a_106832991635_100000182946 [0,0,0,0,0,2|1,0,0]=3 7805 B14R1.863 CNC(=O)COc1ccccc1OC 1626a_100102657272_100000182946 [0,0,0,0,0,2|1,0,0]=3 7806 B14R1.863 CNC(=O)COc1ccccc1OC 240690a_100102657272_100000182946 [0,0,0,0,0,2|1,0,0]=3 7807 B14R1.863 CNC(=O)COc1ccccc1OC 34a_100000210385_100000183359 [0,0,0,0,0,2|1,0,0]=3 7808 B14R1.863 CNC(=O)COc1ccccc1OC 527a_100102657272_100000182946 [0,0,0,0,0,2|1,0,0]=3 7809 B14R1.863 CNC(=O)COc1ccccc1SC 34a_100011216402_100000183359 [0,0,0,0,0,2|1,1,0]=4 7810 B14R1.863 CNC(=O)COc1ccccc1SC 62a_200000148481_200000210301 [0,0,0,0,0,2|1,1,0]=4 7811 B14R1.863 CNC(=O)COc1ccccc1SC 62a_200000210301_200000148481 [0,0,0,0,0,2|1,1,0]=4 7812 B14R1.863 CNC(=O)COc1ccccc1S[13CH3] 62a_200000148481_200025704644 [0,0,0,0,0,2|1,1,0]=4 7813 B14R1.863 CNC(=O)COc1ccccc1S[13CH3] 62a_200025704644_200000148481 [0,0,0,0,0,2|1,1,0]=4 7814 B14R1.863 CNC(=O)COc1cccnc1OC 34a_100000698397_100000183359 [0,0,0,0,0,2|2,0,0]=4 7815 B14R1.863 CNC(=O)COc1cccnc1OC 7a_100000698397_100000183359 [0,0,0,0,0,2|2,0,0]=4 7816 B14R1.863 CNC(=O)COc1cnccc1OC 34a_100000101186_100000183359 [0,0,0,0,0,2|2,0,0]=4 7817 B14R1.863 CNC(=O)COc1ncccc1OC 34a_100025773188_100000183359 [0,0,0,0,0,2|2,0,0]=4 7818 B14R1.863 CNC(=O)CSc1ccccc1NC 62a_100000183359_100020606079 [0,0,0,0,0,2|2,0,0]=4 7819 B14R1.863 CNC(=O)CSc1ccccc1NC 62a_100020606079_100000183359 [0,0,0,0,0,2|2,0,0]=4 7820 B14R1.863 CNC(=O)CSc1ccccc1OC 62a_100000183359_100000210334 [0,0,0,0,0,2|1,0,0]=3 7821 B14R1.863 CNC(=O)CSc1ccccc1OC 62a_100000210334_100000183359 [0,0,0,0,0,2|1,0,0]=3 7822 B14R1.863 CNC(=O)CSc1ccccc1SC 62a_100000183359_100011217816 [0,0,0,0,0,2|1,1,0]=4 7823 B14R1.863 CNC(=O)CSc1ccccc1SC 62a_100011217816_100000183359 [0,0,0,0,0,2|1,1,0]=4 7824 B14R1.863 CNC(=O)CSc1cccnc1OC 62a_100000047025_100000183359 [0,0,0,0,0,2|2,0,0]=4 7825 B14R1.863 CNC(=O)CSc1cccnc1OC 62a_100000183359_100000047025 [0,0,0,0,0,2|2,0,0]=4 7826 B14R1.863 CNC(=O)CSc1ccncc1OC 62a_100000183359_100016988167 [0,0,0,0,0,2|2,0,0]=4 7827 B14R1.863 CNC(=O)CSc1ccncc1OC 62a_100016988167_100000183359 [0,0,0,0,0,2|2,0,0]=4 7828 B14R1.863 CNC(=O)CSc1cnccc1OC 62a_100000183359_100011997281 [0,0,0,0,0,2|2,0,0]=4 7829 B14R1.863 CNC(=O)CSc1cnccc1OC 62a_100011997281_100000183359 [0,0,0,0,0,2|2,0,0]=4 7830 B14R1.863 CNC(=O)CSc1ncccc1OC 62a_100000183359_100000690851 [0,0,0,0,0,2|2,0,0]=4 7831 B14R1.863 CNC(=O)CSc1ncccc1OC 62a_100000767102_100000183359 [0,0,0,0,0,2|2,0,0]=4 7832 B14R1.863 CNC(=O)NCc1ccccc1OC 2708a_100000188900_106832991635 [0,0,0,0,0,2|1,0,0]=3 7833 B14R1.863 CNC(=O)NCc1ccccc1OC 2708a_100102657272_100000188900 [0,0,0,0,0,2|1,0,0]=3 7834 B14R1.863 CNC(=O)NCc1ccccc1OC 273464a_100000188900_100102657272 [0,0,0,0,0,2|1,0,0]=3 7835 B14R1.863 CNC(=O)NCc1ccccc1OC 273464a_100102657272_100000188900 [0,0,0,0,0,2|1,0,0]=3 7836 B14R1.863 CNC(=O)NCc1ccccc1OC 512a_100000188900_100102657272 [0,0,0,0,0,2|1,0,0]=3 7837 B14R1.863 CNC(=O)NCc1ccccc1OC 512a_106832991638_100000188900 [0,0,0,0,0,2|1,0,0]=3 7838 B14R1.863 CNC(=O)NCc1ccccc1SC 2708a_100102657272_102495365025 [0,0,0,0,0,2|1,1,0]=4 7839 B14R1.863 CNC(=O)NCc1ccccc1SC 2708a_102495365025_106832991635 [0,0,0,0,0,2|1,1,0]=4 7840 B14R1.863 CNC(=O)NCc1ccccc1SC 273464a_100102657272_102495365025 [0,0,0,0,0,2|1,1,0]=4 7841 B14R1.863 CNC(=O)NCc1ccccc1SC 273464a_102495365025_100102657272 [0,0,0,0,0,2|1,1,0]=4 7842 B14R1.863 CNC(=O)NCc1ccccc1SC 512a_102495365025_100102657272 [0,0,0,0,0,2|1,1,0]=4 7843 B14R1.863 CNC(=O)NCc1ccccc1SC 512a_106832991638_102495365025 [0,0,0,0,0,2|1,1,0]=4 7844 B14R1.863 CNC(=O)NCc1cccnc1OC 2708a_100102524934_106832991635 [0,0,0,0,0,2|2,0,0]=4 7845 B14R1.863 CNC(=O)NCc1cccnc1OC 2708a_100102657272_100102524934 [0,0,0,0,0,2|2,0,0]=4 7846 B14R1.863 CNC(=O)NCc1cccnc1OC 273464a_100102524934_100102657272 [0,0,0,0,0,2|2,0,0]=4 7847 B14R1.863 CNC(=O)NCc1cccnc1OC 273464a_100102657272_100102524934 [0,0,0,0,0,2|2,0,0]=4 7848 B14R1.863 CNC(=O)NCc1cccnc1OC 512a_100102524934_100102657272 [0,0,0,0,0,2|2,0,0]=4 7849 B14R1.863 CNC(=O)NCc1cccnc1OC 512a_106832991638_100102524934 [0,0,0,0,0,2|2,0,0]=4 7850 B14R1.863 CNC(=O)NNc1ccccc1OC 273464a_100102657272_100000751209 [0,0,0,0,0,2|1,0,0]=3 7851 B14R1.863 CNC(=O)NNc1ccccc1OC 512a_106832991638_100000751209 [0,0,0,0,0,2|1,0,0]=3 7852 B14R1.863 CNC(=O)NNc1cccnc1OC 273464a_100102657272_100159270702 [0,0,0,0,0,2|2,0,0]=4 7853 B14R1.863 CNC(=O)NNc1cccnc1OC 512a_100159270702_100102657272 [0,0,0,0,0,2|2,0,0]=4 7854 B14R1.863 CNC(=O)NNc1cccnc1OC 512a_106832991638_100159270702 [0,0,0,0,0,2|2,0,0]=4 7855 B14R1.863 CNC(=O)NNc1ncccc1OC 273464a_100102657272_100012020716 [0,0,0,0,0,2|2,0,0]=4 7856 B14R1.863 CNC(=O)NNc1ncccc1OC 512a_106832991638_100012020716 [0,0,0,0,0,2|2,0,0]=4 7857 B14R1.863 CNc1ccccc1OCC(=O)OC 34a_100000033821_100000747449 [0,0,0,0,0,2|1,0,0]=3 7858 B14R1.863 CNc1ccccc1SCC(=O)OC 62a_100000747449_100020606079 [0,0,0,0,0,2|1,0,0]=3 7859 B14R1.863 CNc1ccccc1SCC(=O)OC 62a_100020606079_100000747449 [0,0,0,0,0,2|1,0,0]=3 7860 B14R1.863 CNc1cccnc1SCC(=O)OC 62a_100000747449_200011806188 [0,0,0,0,0,2|2,0,0]=4 7861 B14R1.863 CNc1ccncc1SCC(=O)OC 62a_100000747449_100010069531 [0,0,0,0,0,2|2,0,0]=4 7862 B14R1.863 CNc1ccncc1SCC(=O)OC 62a_100010069531_100000747449 [0,0,0,0,0,2|2,0,0]=4 7863 B14R1.863 CNc1ncccc1SCC(=O)OC 62a_100000700899_100000747449 [0,0,0,0,0,2|2,0,0]=4 7864 B14R1.863 CNc1ncccc1SCC(=O)OC 62a_100000747449_100000700899 [0,0,0,0,0,2|2,0,0]=4 7865 B14R1.863 COC(=O)/C=C/c1ccccc1SC 62a_100000151022_200000210301 [0,0,0,0,0,2|0,1,0]=3 7866 B14R1.863 COC(=O)/C=C/c1ccccc1SC 62a_200000210301_100000151022 [0,0,0,0,0,2|0,1,0]=3 7867 B14R1.863 COC(=O)/C=C/c1ccccc1S[13CH3] 62a_100000151022_200025704644 [0,0,0,0,0,2|0,1,0]=3 7868 B14R1.863 COC(=O)/C=C/c1ccccc1S[13CH3] 62a_200025704644_100000151022 [0,0,0,0,0,2|0,1,0]=3 7869 B14R1.863 COC(=O)C=Cc1ccccc1OC 34a_200012823195_200000210301 [0,0,0,0,0,2|0,0,0]=2 7870 B14R1.863 COC(=O)C=Cc1ccccc1O[13CH3] 34a_200012823195_200025704644 [0,0,0,0,0,2|0,0,0]=2 7871 B14R1.863 COC(=O)CCc1ccccc1OC 34a_200000148576_200000210301 [0,0,0,0,0,2|0,0,0]=2 7872 B14R1.863 COC(=O)CCc1ccccc1OC 7a_200000148576_200000210301 [0,0,0,0,0,2|0,0,0]=2 7873 B14R1.863 COC(=O)CCc1ccccc1O[13CH3] 34a_200000148576_200025704644 [0,0,0,0,0,2|0,0,0]=2 7874 B14R1.863 COC(=O)CCc1ccccc1O[13CH3] 7a_200000148576_200025704644 [0,0,0,0,0,2|0,0,0]=2 7875 B14R1.863 COC(=O)CCc1ccccc1SC 62a_100009815308_200000210301 [0,0,0,0,0,2|0,1,0]=3 7876 B14R1.863 COC(=O)CCc1ccccc1SC 62a_200000210301_100009815308 [0,0,0,0,0,2|0,1,0]=3 7877 B14R1.863 COC(=O)CCc1ccccc1S[13CH3] 62a_100009815308_200025704644 [0,0,0,0,0,2|0,1,0]=3 7878 B14R1.863 COC(=O)CCc1ccccc1S[13CH3] 62a_200025704644_100009815308 [0,0,0,0,0,2|0,1,0]=3 7879 B14R1.863 COC(=O)CNc1ccccc1C#N 34a_100000211148_100000747449 [0,0,0,0,0,2|2,0,0]=4 7880 B14R1.863 COC(=O)CNc1ccccc1CO 34a_100000212039_100000747449 [0,0,0,0,0,2|2,0,0]=4 7881 B14R1.863 COC(=O)CNc1ccccc1OC 34a_100000210025_100000747449 [0,0,0,0,0,2|0,0,0]=2 7882 B14R1.863 COC(=O)CNc1ccccc1SC 34a_100000211160_100000747449 [0,0,0,0,0,2|0,1,0]=3 7883 B14R1.863 COC(=O)COc1ccccc1C#N 34a_100000211048_100000747449 [0,0,0,0,0,2|2,0,0]=4 7884 B14R1.863 COC(=O)COc1ccccc1C#N 7a_100000211048_100000747449 [0,0,0,0,0,2|2,0,0]=4 7885 B14R1.863 COC(=O)COc1ccccc1CN 34a_100000185550_100000747449 [0,0,0,0,0,2|2,0,0]=4 7886 B14R1.863 COC(=O)COc1ccccc1CO 34a_100011216872_100000747449 [0,0,0,0,0,2|2,0,0]=4 7887 B14R1.863 COC(=O)COc1ccccc1OC 34a_100000210385_100000747449 [0,0,0,0,0,2|0,0,0]=2 7888 B14R1.863 COC(=O)COc1ccccc1SC 34a_100011216402_100000747449 [0,0,0,0,0,2|0,1,0]=3 7889 B14R1.863 COC(=O)COc1ccccc1SC 62a_200000173920_200000210301 [0,0,0,0,0,2|0,1,0]=3 7890 B14R1.863 COC(=O)COc1ccccc1SC 62a_200000210301_200000173920 [0,0,0,0,0,2|0,1,0]=3 7891 B14R1.863 COC(=O)COc1ccccc1S[13CH3] 62a_200000173920_200025704644 [0,0,0,0,0,2|0,1,0]=3 7892 B14R1.863 COC(=O)COc1ccccc1S[13CH3] 62a_200025704644_200000173920 [0,0,0,0,0,2|0,1,0]=3 7893 B14R1.863 COC(=O)COc1cccnc1OC 34a_100000698397_100000747449 [0,0,0,0,0,2|1,0,0]=3 7894 B14R1.863 COC(=O)COc1cccnc1OC 7a_100000698397_100000747449 [0,0,0,0,0,2|1,0,0]=3 7895 B14R1.863 COC(=O)COc1cnccc1OC 34a_100000101186_100000747449 [0,0,0,0,0,2|1,0,0]=3 7896 B14R1.863 COC(=O)COc1ncccc1OC 34a_100025773188_100000747449 [0,0,0,0,0,2|1,0,0]=3 7897 B14R1.863 COC(=O)CSc1ccccc1C#N 62a_100000747449_100000188569 [0,0,0,0,0,2|2,0,0]=4 7898 B14R1.863 COC(=O)CSc1ccccc1C=O 62a_100000210073_100000747449 [0,0,0,0,0,2|2,0,0]=4 7899 B14R1.863 COC(=O)CSc1ccccc1C=O 62a_100000747449_100000210073 [0,0,0,0,0,2|2,0,0]=4 7900 B14R1.863 COC(=O)CSc1ccccc1CN 62a_100000689332_100000747449 [0,0,0,0,0,2|2,0,0]=4 7901 B14R1.863 COC(=O)CSc1ccccc1CN 62a_100000747449_100000689332 [0,0,0,0,0,2|2,0,0]=4 7902 B14R1.863 COC(=O)CSc1ccccc1CO 62a_100000187465_100000747449 [0,0,0,0,0,2|2,0,0]=4 7903 B14R1.863 COC(=O)CSc1ccccc1CO 62a_100000747449_100000187465 [0,0,0,0,0,2|2,0,0]=4 7904 B14R1.863 COC(=O)CSc1ccccc1NN 62a_100000241748_100000747449 [0,0,0,0,0,2|2,0,0]=4 7905 B14R1.863 COC(=O)CSc1ccccc1NN 62a_100000747449_100000241748 [0,0,0,0,0,2|2,0,0]=4 7906 B14R1.863 COC(=O)CSc1ccccc1OC 62a_100000210334_100000747449 [0,0,0,0,0,2|0,0,0]=2 7907 B14R1.863 COC(=O)CSc1ccccc1OC 62a_100000747449_100000210334 [0,0,0,0,0,2|0,0,0]=2 7908 B14R1.863 COC(=O)CSc1ccccc1SC 62a_100000747449_100011217816 [0,0,0,0,0,2|0,1,0]=3 7909 B14R1.863 COC(=O)CSc1ccccc1SC 62a_100011217816_100000747449 [0,0,0,0,0,2|0,1,0]=3 7910 B14R1.863 COC(=O)CSc1cccnc1OC 62a_100000047025_100000747449 [0,0,0,0,0,2|1,0,0]=3 7911 B14R1.863 COC(=O)CSc1cccnc1OC 62a_100000747449_100000047025 [0,0,0,0,0,2|1,0,0]=3 7912 B14R1.863 COC(=O)CSc1cccnc1SC 62a_100000747449_100011465278 [0,0,0,0,0,2|1,1,0]=4 7913 B14R1.863 COC(=O)CSc1cccnc1SC 62a_100011465278_100000747449 [0,0,0,0,0,2|1,1,0]=4 7914 B14R1.863 COC(=O)CSc1ccncc1OC 62a_100000747449_100016988167 [0,0,0,0,0,2|1,0,0]=3 7915 B14R1.863 COC(=O)CSc1ccncc1OC 62a_100016988167_100000747449 [0,0,0,0,0,2|1,0,0]=3 7916 B14R1.863 COC(=O)CSc1cnccc1OC 62a_100000747449_100011997281 [0,0,0,0,0,2|1,0,0]=3 7917 B14R1.863 COC(=O)CSc1cnccc1OC 62a_100011997281_100000747449 [0,0,0,0,0,2|1,0,0]=3 7918 B14R1.863 COC(=O)CSc1cncnc1OC 62a_100000719902_100000747449 [0,0,0,0,0,2|2,0,0]=4 7919 B14R1.863 COC(=O)CSc1cncnc1OC 62a_100000747449_100000719902 [0,0,0,0,0,2|2,0,0]=4 7920 B14R1.863 COC(=O)CSc1ncccc1OC 62a_100000747449_100000690851 [0,0,0,0,0,2|1,0,0]=3 7921 B14R1.863 COC(=O)CSc1ncccc1OC 62a_100000767102_100000747449 [0,0,0,0,0,2|1,0,0]=3 7922 B14R1.863 COC(=O)CSc1nccnc1OC 62a_100000747449_100000749998 [0,0,0,0,0,2|2,0,0]=4 7923 B14R1.863 COC(=O)CSc1nccnc1OC 62a_100009858322_100000747449 [0,0,0,0,0,2|2,0,0]=4 7924 B14R1.863 COC(=O)CSc1ncncc1OC 62a_100000747449_100012001275 [0,0,0,0,0,2|2,0,0]=4 7925 B14R1.863 COC(=O)CSc1ncncc1OC 62a_100012001275_100000747449 [0,0,0,0,0,2|2,0,0]=4 7926 B14R1.863 COc1ccccc1C=CC(=O)CF 1458a_100000182468_100015361967 [0,0,0,0,0,2|2,0,0]=4 7927 B14R1.863 COc1ccccc1CCC(=O)CF 1458a_100000184355_100015361967 [0,0,0,0,0,2|2,0,0]=4 7928 B14R1.863 COc1ccccc1CCC(=O)CO 1458a_100000210174_100011713687 [0,0,0,0,0,2|2,0,0]=4 7929 B14R1.863 COc1ccccc1CCC(=O)NN 34a_100000181720_200000210301 [0,0,0,0,0,2|2,0,0]=4 7930 B14R1.863 COc1ccccc1CNC(=O)CO 240690a_100000188900_100000210174 [0,0,0,0,0,2|2,0,0]=4 7931 B14R1.863 COc1ccccc1CNC(=O)CO 527a_100000188900_100000210174 [0,0,0,0,0,2|2,0,0]=4 7932 B14R1.863 COc1ccccc1CSC(C)OC 62a_100000210004_100009879195 [0,0,0,0,0,2|1,0,1]=4 7933 B14R1.863 COc1ccccc1CSC(C)OC 62a_100009879195_100000210004 [0,0,0,0,0,2|1,0,1]=4 7934 B14R1.863 COc1ccccc1NNC(=O)CO 22a_100000751209_100000210174 [0,0,0,0,0,2|2,0,0]=4 7935 B14R1.863 COc1ccccc1OCC(=O)CF 1458a_100000182946_100015361967 [0,0,0,0,0,2|2,0,0]=4 7936 B14R1.863 COc1ccccc1OCC(C)OC 34a_100000242603_200000210301 [0,0,0,0,0,2|1,0,1]=4 7937 B14R1.863 COc1ccccc1OCC(C)OC 7a_100000242603_200000210301 [0,0,0,0,0,2|1,0,1]=4 7938 B14R1.863 COc1ccccc1OCC(C)O[13CH3] 34a_100000242603_200025704644 [0,0,0,0,0,2|1,0,1]=4 7939 B14R1.863 COc1ccccc1OCC(C)O[13CH3] 7a_100000242603_200025704644 [0,0,0,0,0,2|1,0,1]=4 7940 B14R1.863 [13CH3]Oc1ccccc1CCC(=O)NN 34a_100000181720_200025704644 [0,0,0,0,0,2|2,0,0]=4