0 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,0,0,0,0,0|1,0,3]=4 1 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,0,0,0,0,0|1,0,3]=4 2 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 34a_200000065209_200025704644 [0,0,0,0,0,0|1,0,3]=4 6 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 7a_200000065209_200025704644 [0,0,0,0,0,0|1,0,3]=4 7 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,0,0,0,0,0|2,0,2]=4 9 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [0,0,0,0,0,0|1,0,2]=3 10 B12R1.27 CCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210202 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [0,0,0,0,0,0|2,0,0]=2 15 B12R1.27 CCC(=O)C=Cc1cncnc1 6a_100000749868_100000211110 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,0,0,0,0,0|1,0,2]=3 17 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,0,0,0,0,0|1,0,2]=3 18 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,0,0,0,0,0|2,0,2]=4 19 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,0,0,0,0,0|2,0,2]=4 20 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,0,0,0,0,0|2,0,2]=4 21 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,0,0,0,0,0|2,0,2]=4 22 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,0,0,0,0,0|2,0,2]=4 23 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,0,0,0,0,0|2,0,2]=4 24 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,0,0,0,0,0|2,0,1]=3 25 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,0,0,0,0,0|2,0,1]=3 26 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,0,0,0,0,0|3,0,1]=4 27 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [0,0,0,0,0,0|3,0,1]=4 28 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [0,0,0,0,0,0|3,0,1]=4 29 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,0,0,0,0,0|2,0,1]=3 30 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,0,0,0,0,0|2,0,1]=3 31 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,0,0,0,0,0|2,0,1]=3 32 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000210063_100000747405 [0,0,0,0,0,0|3,0,1]=4 36 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000747405_100000210063 [0,0,0,0,0,0|3,0,1]=4 37 B12R1.27 CCC(=O)CSc1ccncc1 1458a_100000211328_100000210202 [0,0,0,0,0,0|3,0,1]=4 38 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000728582_100000747405 [0,0,0,0,0,0|3,0,1]=4 39 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000747405_100000728582 [0,0,0,0,0,0|3,0,1]=4 40 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,0,0,0,0,0|2,0,1]=3 41 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,0,0,0,0,0|2,0,1]=3 42 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,0,0,0,0,0|2,0,1]=3 43 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,0,0,0,0,0|2,0,1]=3 44 B12R1.27 CCC(=O)NCc1ccccn1 11a_100000210449_100000210414 [0,0,0,0,0,0|3,0,1]=4 45 B12R1.27 CCC(=O)NCc1ccccn1 1626a_100000210449_100000210414 [0,0,0,0,0,0|3,0,1]=4 46 B12R1.27 CCC(=O)NCc1ccccn1 240690a_100000210449_100000210414 [0,0,0,0,0,0|3,0,1]=4 47 B12R1.27 CCC(=O)NCc1ccccn1 527a_100000210449_100000210414 [0,0,0,0,0,0|3,0,1]=4 48 B12R1.27 CCC(=O)NCc1cccnc1 11a_100000210453_100000210414 [0,0,0,0,0,0|3,0,1]=4 49 B12R1.27 CCC(=O)NCc1cccnc1 240690a_100000210453_100000210414 [0,0,0,0,0,0|3,0,1]=4 50 B12R1.27 CCC(=O)NCc1cccnc1 527a_100000210453_100000210414 [0,0,0,0,0,0|3,0,1]=4 51 B12R1.27 CCC(=O)NCc1ccncc1 11a_100000210450_100000210414 [0,0,0,0,0,0|3,0,1]=4 52 B12R1.27 CCC(=O)NCc1ccncc1 1626a_100000210450_100000210414 [0,0,0,0,0,0|3,0,1]=4 53 B12R1.27 CCC(=O)NCc1ccncc1 240690a_100000210450_100000210414 [0,0,0,0,0,0|3,0,1]=4 54 B12R1.27 CCC(=O)NCc1ccncc1 527a_100000210450_100000210414 [0,0,0,0,0,0|3,0,1]=4 55 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,0,0,0,0,0|3,0,0]=3 56 B12R1.27 CCC(=O)NNc1ccccn1 22a_100000183288_100000210414 [0,0,0,0,0,0|4,0,0]=4 57 B12R1.27 CCC(=O)NNc1cccnc1 22a_100000728903_100000210414 [0,0,0,0,0,0|4,0,0]=4 58 B12R1.27 CCC(=O)NNc1ccncc1 22a_100000698918_100000210414 [0,0,0,0,0,0|4,0,0]=4 59 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,0,0,0,0,0|1,0,2]=3 60 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,0,0,0,0,0|1,0,0]=1 61 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,0,0,0,0,0|1,0,0]=1 62 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,0,0,0,0,0|2,0,0]=2 63 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,0,0,0,0,0|2,0,0]=2 64 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [0,0,0,0,0,0|2,0,0]=2 65 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [0,0,0,0,0,0|2,0,0]=2 66 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [0,0,0,0,0,0|2,0,0]=2 67 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,0,0,0,0,0|1,0,2]=3 68 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,0,0,0,0,0|1,0,2]=3 69 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,0,0,0,0,0|1,0,2]=3 70 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,0,0,0,0,0|1,0,2]=3 71 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,0,0,0,0,0|2,0,2]=4 72 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,0,0,0,0,0|2,0,2]=4 73 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,0,0,0,0,0|2,0,2]=4 74 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,0,0,0,0,0|2,0,2]=4 75 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,0,0,0,0,0|2,0,2]=4 76 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,0,0,0,0,0|2,0,2]=4 77 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,0,0,0,0,0|2,0,2]=4 78 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,0,0,0,0,0|2,0,2]=4 79 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,0,0,0,0,0|2,0,2]=4 80 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,0,0,0,0,0|2,0,2]=4 81 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,0,0,0,0,0|2,0,1]=3 82 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,0,0,0,0,0|2,0,1]=3 83 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,0,0,0,0,0|2,0,1]=3 84 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,0,0,0,0,0|2,0,1]=3 85 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,0,0,0,0,0|2,0,1]=3 86 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,0,0,0,0,0|2,0,1]=3 87 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,0,0,0,0,0|2,0,1]=3 88 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,0,0,0,0,0|3,0,1]=4 89 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,0,0,0,0,0|3,0,1]=4 90 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,0,0,0,0,0|3,0,1]=4 91 B12R1.27 CNC(=O)COc1cccnc1 11a_106832991635_100015207166 [0,0,0,0,0,0|3,0,1]=4 92 B12R1.27 CNC(=O)COc1cccnc1 1626a_100102657272_100015207166 [0,0,0,0,0,0|3,0,1]=4 93 B12R1.27 CNC(=O)COc1cccnc1 240690a_100102657272_100015207166 [0,0,0,0,0,0|3,0,1]=4 94 B12R1.27 CNC(=O)COc1cccnc1 34a_100000210849_100000183359 [0,0,0,0,0,0|3,0,1]=4 95 B12R1.27 CNC(=O)COc1cccnc1 527a_100102657272_100015207166 [0,0,0,0,0,0|3,0,1]=4 96 B12R1.27 CNC(=O)COc1cccnc1 7a_100000210849_100000183359 [0,0,0,0,0,0|3,0,1]=4 97 B12R1.27 CNC(=O)COc1ccncc1 34a_100000212176_100000183359 [0,0,0,0,0,0|3,0,1]=4 98 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,0,0,0,0,0|2,0,1]=3 99 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,0,0,0,0,0|2,0,1]=3 100 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,0,0,0,0,0|2,0,1]=3 101 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,0,0,0,0,0|2,0,1]=3 102 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,0,0,0,0,0|2,0,1]=3 103 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,0,0,0,0,0|2,0,1]=3 104 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,0,0,0,0,0|3,0,1]=4 105 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,0,0,0,0,0|3,0,1]=4 106 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,0,0,0,0,0|3,0,1]=4 107 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,0,0,0,0,0|3,0,1]=4 108 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,0,0,0,0,0|3,0,1]=4 109 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000183359_100000210063 [0,0,0,0,0,0|3,0,1]=4 110 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000210063_100000183359 [0,0,0,0,0,0|3,0,1]=4 111 B12R1.27 CNC(=O)CSc1ccncc1 11a_106832991635_100000211328 [0,0,0,0,0,0|3,0,1]=4 112 B12R1.27 CNC(=O)CSc1ccncc1 1626a_100102657272_100000211328 [0,0,0,0,0,0|3,0,1]=4 113 B12R1.27 CNC(=O)CSc1ccncc1 240690a_100102657272_100000211328 [0,0,0,0,0,0|3,0,1]=4 114 B12R1.27 CNC(=O)CSc1ccncc1 527a_100102657272_100000211328 [0,0,0,0,0,0|3,0,1]=4 115 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000183359_100000728582 [0,0,0,0,0,0|3,0,1]=4 116 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000728582_100000183359 [0,0,0,0,0,0|3,0,1]=4 117 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,0,0,0,0,0|2,0,1]=3 118 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,0,0,0,0,0|2,0,1]=3 119 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,0,0,0,0,0|2,0,1]=3 120 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,0,0,0,0,0|2,0,1]=3 121 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,0,0,0,0,0|2,0,1]=3 122 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,0,0,0,0,0|2,0,1]=3 123 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,0,0,0,0,0|3,0,1]=4 124 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,0,0,0,0,0|3,0,1]=4 125 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,0,0,0,0,0|3,0,1]=4 126 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,0,0,0,0,0|3,0,1]=4 127 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,0,0,0,0,0|3,0,1]=4 128 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [0,0,0,0,0,0|3,0,1]=4 129 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [0,0,0,0,0,0|3,0,1]=4 130 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [0,0,0,0,0,0|3,0,1]=4 131 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [0,0,0,0,0,0|3,0,1]=4 132 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [0,0,0,0,0,0|3,0,1]=4 133 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [0,0,0,0,0,0|3,0,1]=4 134 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100000210450_106832991635 [0,0,0,0,0,0|3,0,1]=4 135 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100102657272_100000210450 [0,0,0,0,0,0|3,0,1]=4 136 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100000210450_100102657272 [0,0,0,0,0,0|3,0,1]=4 137 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100102657272_100000210450 [0,0,0,0,0,0|3,0,1]=4 138 B12R1.27 CNC(=O)NCc1ccncc1 512a_106832991638_100000210450 [0,0,0,0,0,0|3,0,1]=4 139 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,0,0,0,0,0|3,0,0]=3 140 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,0,0,0,0,0|3,0,0]=3 141 B12R1.27 CNC(=O)NNc1ccccn1 273464a_100102657272_100000183288 [0,0,0,0,0,0|4,0,0]=4 142 B12R1.27 CNC(=O)NNc1ccccn1 512a_106832991638_100000183288 [0,0,0,0,0,0|4,0,0]=4 143 B12R1.27 CNC(=O)NNc1cccnc1 273464a_100102657272_100000728903 [0,0,0,0,0,0|4,0,0]=4 144 B12R1.27 CNC(=O)NNc1cccnc1 512a_106832991638_100000728903 [0,0,0,0,0,0|4,0,0]=4 145 B12R1.27 CNC(=O)NNc1ccncc1 273464a_100102657272_100000698918 [0,0,0,0,0,0|4,0,0]=4 146 B12R1.27 CNC(=O)NNc1ccncc1 512a_106832991638_100000698918 [0,0,0,0,0,0|4,0,0]=4 147 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,0,0,0,0,0|1,0,1]=2 148 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,0,0,0,0,0|1,0,1]=2 149 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,0,0,0,0,0|1,0,1]=2 150 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,0,0,0,0,0|2,0,1]=3 151 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,0,0,0,0,0|2,0,1]=3 152 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [0,0,0,0,0,0|2,0,1]=3 153 B12R1.27 COC(=O)COc1ccnnc1 34a_100015204005_100000747449 [0,0,0,0,0,0|3,0,1]=4 154 B12R1.27 COC(=O)COc1cncnc1 7a_100000754086_100000747449 [0,0,0,0,0,0|3,0,1]=4 155 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,0,0,0,0,0|1,0,1]=2 156 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,0,0,0,0,0|1,0,1]=2 157 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,0,0,0,0,0|2,0,1]=3 158 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,0,0,0,0,0|2,0,1]=3 159 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [0,0,0,0,0,0|2,0,1]=3 160 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [0,0,0,0,0,0|2,0,1]=3 161 B12R1.27 COC(=O)CSc1cccnn1 62a_100000747449_100016991348 [0,0,0,0,0,0|3,0,1]=4 162 B12R1.27 COC(=O)CSc1cccnn1 62a_100016991348_100000747449 [0,0,0,0,0,0|3,0,1]=4 163 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [0,0,0,0,0,0|2,0,1]=3 164 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [0,0,0,0,0,0|2,0,1]=3 165 B12R1.27 COC(=O)CSc1ccncn1 62a_100000703185_100000747449 [0,0,0,0,0,0|3,0,1]=4 166 B12R1.27 COC(=O)CSc1ccncn1 62a_100000747449_100000703185 [0,0,0,0,0,0|3,0,1]=4 167 B12R1.27 COC(=O)CSc1ccnnc1 62a_100000732662_100000747449 [0,0,0,0,0,0|3,0,1]=4 168 B12R1.27 COC(=O)CSc1ccnnc1 62a_100000747449_100000732662 [0,0,0,0,0,0|3,0,1]=4 169 B12R1.27 COC(=O)CSc1cnccn1 62a_100000211759_100000747449 [0,0,0,0,0,0|3,0,1]=4 170 B12R1.27 COC(=O)CSc1cnccn1 62a_100000747449_100000211759 [0,0,0,0,0,0|3,0,1]=4 171 B12R1.27 COC(=O)CSc1cncnc1 62a_100000747449_100011206942 [0,0,0,0,0,0|3,0,1]=4 172 B12R1.27 COC(=O)CSc1cncnc1 62a_100011206942_100000747449 [0,0,0,0,0,0|3,0,1]=4 173 B12R1.27 COC(=O)CSc1ncccn1 62a_100000211032_100000747449 [0,0,0,0,0,0|3,0,1]=4 174 B12R1.27 COC(=O)CSc1ncccn1 62a_100000747449_100000211032 [0,0,0,0,0,0|3,0,1]=4 175 B12R1.27 COC(C)C#Cc1ccccc1 34a_200000065209_200000210301 [0,0,0,0,0,0|1,0,3]=4 176 B12R1.27 COC(C)C#Cc1ccccc1 7a_200000065209_200000210301 [0,0,0,0,0,0|1,0,3]=4 177 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,0,0,0,0,0|2,0,2]=4 178 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,0,0,0,0,0|2,0,2]=4 179 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,0,0,0,0,0|2,0,2]=4 180 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,0,0,0,0,0|2,0,2]=4 181 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,0,0,0,0,0|1,0,3]=4 182 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,0,0,0,0,0|1,0,3]=4 183 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,0,0,0,0,0|1,0,3]=4 184 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,0,0,0,0,0|1,0,3]=4 185 B12R1.27 O=C(C#Cc1ccccc1)CF 1458a_100000736102_100015361967 [0,0,0,0,0,0|2,0,2]=4 186 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,0,0,0,0,0|2,0,0]=2 187 B12R1.27 O=C(C=Cc1ccccn1)CF 1458a_100000740811_100015361967 [0,0,0,0,0,0|3,0,0]=3 188 B12R1.27 O=C(C=Cc1cccnc1)CF 1458a_100000735890_100015361967 [0,0,0,0,0,0|3,0,0]=3 189 B12R1.27 O=C(C=Cc1ccncc1)CF 1458a_100000682801_100015361967 [0,0,0,0,0,0|3,0,0]=3 190 B12R1.27 O=C(C=Cc1cncnc1)CBr 6a_100000749868_100009888967 [0,0,0,0,0,0|4,0,0]=4 191 B12R1.27 O=C(C=Cc1cncnc1)CCl 6a_100000749868_100000086384 [0,0,0,0,0,0|4,0,0]=4 192 B12R1.27 O=C(C=Cc1cncnc1)CF 6a_100000749868_100000764096 [0,0,0,0,0,0|4,0,0]=4 193 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,0,0,0,0,0|2,0,2]=4 194 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,0,0,0,0,0|3,0,1]=4 195 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,0,0,0,0,0|3,0,1]=4 196 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,0,0,0,0,0|2,0,2]=4 197 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,0,0,0,0,0|3,0,1]=4 198 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,0,0,0,0,0|3,0,1]=4 199 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,0,0,0,0,0|4,0,0]=4 200 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,0,0,0,0,0|2,0,1]=4 201 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,0,0,0,0,0|2,0,1]=4 202 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,0,0,0,0,0|2,0,1]=4 203 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,0,0,0,0,0|2,0,1]=4 204 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,0,0,0,0,0|2,0,1]=4 205 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,0,0,0,0,0|2,0,1]=4 206 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,0,0,0,0,0|2,0,1]=4 207 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,0,0,0,0,0|2,0,1]=4 208 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,0,0,0,0,0|2,0,1]=4 209 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,0,0,0,0,0|2,0,1]=4 210 B11R1.28 CCC=NNc1ccccc1 4a_100015195140_100000210100 [1,0,0,0,0,0|3,0,0]=4 211 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,0,0,0,0,0|1,0,1]=3 212 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [1,0,0,0,0,0|2,0,1]=4 213 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [1,0,0,0,0,0|2,0,1]=4 214 B11R1.28 CCCC=Cc1ccncc1 271570a_100016258520_100000035832 [1,0,0,0,0,0|2,0,1]=4 215 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [1,0,0,0,0,0|3,0,0]=4 216 B11R1.28 CCOC=Cc1ccccc1 271570a_100016256518_100000210277 [1,0,0,0,0,0|2,0,0]=3 217 B11R1.28 CCOC=Cc1ccccn1 271570a_100016256518_100011216584 [1,0,0,0,0,0|3,0,0]=4 218 B11R1.28 CCOC=Cc1cccnc1 271570a_100016256518_100000752921 [1,0,0,0,0,0|3,0,0]=4 219 B11R1.28 CCOC=Cc1ccncc1 271570a_100016256518_100000035832 [1,0,0,0,0,0|3,0,0]=4 220 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [1,0,0,0,0,0|1,0,1]=3 221 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [1,0,0,0,0,0|1,0,1]=3 222 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [1,0,0,0,0,0|1,0,1]=3 223 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [1,0,0,0,0,0|1,0,1]=3 224 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [1,0,0,0,0,0|1,0,1]=3 225 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [1,0,0,0,0,0|1,0,1]=3 226 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,0,0,0,0,0|0,0,1]=2 227 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,0,0,0,0,0|0,0,1]=2 228 B11R1.28 COC/C=C/c1cccnc1 34a_200102594124_200000210301 [1,0,0,0,0,0|1,0,1]=3 229 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [1,0,0,0,0,0|0,0,3]=4 230 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [1,0,0,0,0,0|0,0,3]=4 231 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [1,0,0,0,0,0|0,0,3]=4 232 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,0,0,0,0,0|0,0,1]=2 233 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [1,0,0,0,0,0|1,0,1]=3 234 B11R1.28 COCC=Cc1cccnc1 271570a_100016286323_100000752921 [1,0,0,0,0,0|1,0,1]=3 235 B11R1.28 COCC=Cc1cccnn1 271570a_100016286323_100016991348 [1,0,0,0,0,0|2,0,1]=4 236 B11R1.28 COCC=Cc1ccncc1 271570a_100016286323_100000035832 [1,0,0,0,0,0|1,0,1]=3 237 B11R1.28 COCC=Cc1ccncn1 271570a_100016286323_100000703185 [1,0,0,0,0,0|2,0,1]=4 238 B11R1.28 COCC=Cc1ccnnc1 271570a_100016286323_100000732662 [1,0,0,0,0,0|2,0,1]=4 239 B11R1.28 COCC=Cc1cnccn1 271570a_100016286323_100000758340 [1,0,0,0,0,0|2,0,1]=4 240 B11R1.28 COCC=Cc1cncnc1 271570a_100016286323_100011206942 [1,0,0,0,0,0|2,0,1]=4 241 B11R1.28 COCC=Cc1ncccn1 271570a_100016286323_100000211032 [1,0,0,0,0,0|2,0,1]=4 242 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,0,0,0,0,0|0,0,3]=4 243 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,0,0,0,0,0|0,0,3]=4 244 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,0,0,0,0,0|0,0,3]=4 245 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,0,0,0,0,0|1,0,2]=4 246 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,0,0,0,0,0|1,0,2]=4 247 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,0,0,0,0,0|1,0,2]=4 248 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,0,0,0,0,0|1,0,2]=4 249 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,0,0,0,0,0|1,0,2]=4 250 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,0,0,0,0,0|1,0,2]=4 251 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,0,0,0,0,0|1,0,2]=4 252 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,0,0,0,0,0|1,0,2]=4 253 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,0,0,0,0,0|1,0,2]=4 254 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,0,0,0,0,0|1,0,2]=4 255 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,0,0,0,0,0|1,0,2]=4 256 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,0,0,0,0,0|1,0,2]=4 257 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,0,0,0,0,0|1,0,2]=4 258 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,0,0,0,0,0|1,0,2]=4 259 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,0,0,0,0,0|1,0,2]=4 260 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,0,0,0,0,0|1,0,2]=4 261 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [1,0,0,0,0,0|0,1,1]=3 262 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [1,0,0,0,0,0|0,1,1]=3 263 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [1,0,0,0,0,0|1,0,1]=3 264 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [1,0,0,0,0,0|1,0,1]=3 265 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,0,0,0,0,0|0,0,1]=2 266 B11R1.28 [13CH3]OC/C=C/c1cccnc1 34a_200102594124_200025704644 [1,0,0,0,0,0|1,0,1]=3 267 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [1,0,0,0,0,0|0,0,3]=4 268 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [1,0,0,0,0,0|0,0,3]=4 269 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,0,0,0,0,0|0,0,3]=4 270 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,0,0,0,0,0|0,0,3]=4 271 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,0,0,0,0,0|1,0,2]=4 272 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,0,0,0,0,0|1,0,2]=4 273 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,0,0,0,0,0|1,0,2]=4 274 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,0,0,0,0,0|1,0,2]=4 275 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [1,0,0,0,0,0|0,1,1]=3 276 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [1,0,0,0,0,0|0,1,1]=3 277 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [1,0,0,0,0,0|2,0,1]=4 278 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [1,0,0,0,0,0|2,0,1]=4 279 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [1,0,0,0,0,0|2,0,1]=4 280 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [1,0,0,0,0,0|2,0,1]=4 281 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [1,0,0,0,0,0|2,0,1]=4 282 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [1,0,0,0,0,0|0,0,2]=3 283 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [1,0,0,0,0,0|1,0,2]=4 284 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,0,0,0,0|0,0,0]=1 285 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,0,0,0,0|1,0,0]=2 286 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,0,0,0,0,0|1,0,0]=2 287 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,0,0,0,0,0|1,0,0]=2 288 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,0,0,0,0,0|0,0,2]=3 289 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,0,0,0,0,0|0,0,2]=3 290 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [1,0,0,0,0,0|1,0,2]=4 291 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [1,0,0,0,0,0|1,0,2]=4 292 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [1,0,0,0,0,0|1,0,2]=4 293 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [1,0,0,0,0,0|1,0,2]=4 294 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [1,0,0,0,0,0|1,0,2]=4 295 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [1,0,0,0,0,0|1,0,2]=4 296 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,0,0,0,0,0|1,0,1]=3 297 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [1,0,0,0,0,0|2,0,1]=4 298 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [1,0,0,0,0,0|2,0,1]=4 299 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,0,0,0,0,0|1,0,1]=3 300 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [1,0,0,0,0,0|2,0,1]=4 301 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [1,0,0,0,0,0|2,0,1]=4 302 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,0,0,0,0,0|1,0,1]=3 303 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,0,0,0,0,0|1,0,1]=3 304 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,0,0,0,0,0|1,0,1]=3 305 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,0,0,0,0,0|1,0,1]=3 306 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [1,0,0,0,0,0|2,0,1]=4 307 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [1,0,0,0,0,0|2,0,1]=4 308 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [1,0,0,0,0,0|2,0,1]=4 309 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [1,0,0,0,0,0|2,0,1]=4 310 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [1,0,0,0,0,0|2,0,1]=4 311 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [1,0,0,0,0,0|2,0,1]=4 312 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [1,0,0,0,0,0|2,0,1]=4 313 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [1,0,0,0,0,0|2,0,1]=4 314 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [1,0,0,0,0,0|2,0,1]=4 315 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [1,0,0,0,0,0|2,0,1]=4 316 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [1,0,0,0,0,0|2,0,1]=4 317 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [1,0,0,0,0,0|2,0,0]=3 318 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [1,0,0,0,0,0|3,0,0]=4 319 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [1,0,0,0,0,0|3,0,0]=4 320 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [1,0,0,0,0,0|3,0,0]=4 321 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [1,0,0,0,0,0|1,0,1]=3 322 B11R1.91 CC(C)C=Cc1ccccn1 271570a_100016257149_100011216584 [1,0,0,0,0,0|2,0,1]=4 323 B11R1.91 CC(C)C=Cc1cccnc1 271570a_100016257149_100000752921 [1,0,0,0,0,0|2,0,1]=4 324 B11R1.91 CC(C)C=Cc1ccncc1 271570a_100016257149_100000035832 [1,0,0,0,0,0|2,0,1]=4 325 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,0,0,0,0|0,0,2]=3 326 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [1,0,0,0,0,0|1,0,2]=4 327 B11R1.91 CC(O)C=Cc1cccnc1 271570a_200011019289_100000752921 [1,0,0,0,0,0|1,0,2]=4 328 B11R1.91 CC(O)C=Cc1ccncc1 271570a_200011019289_100000035832 [1,0,0,0,0,0|1,0,2]=4 329 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,0,0,0,0|2,0,1]=4 330 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,0,0,0,0,0|2,0,1]=4 331 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,0,0,0,0,0|2,0,1]=4 332 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,0,0,0,0,0|2,0,1]=4 333 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,0,0,0,0,0|2,0,1]=4 334 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [1,0,0,0,0,0|1,0,2]=4 335 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [1,0,0,0,0,0|1,0,2]=4 336 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [1,0,0,0,0,0|1,0,2]=4 337 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [1,0,0,0,0,0|1,0,2]=4 338 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [1,0,0,0,0,0|0,0,2]=3 339 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [1,0,0,0,0,0|1,0,2]=4 340 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,0,0,0,0|0,0,0]=1 341 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,0,0,0,0|1,0,0]=2 342 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,0,0,0,0,0|1,0,0]=2 343 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,0,0,0,0,0|1,0,0]=2 344 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,0,0,0,0,0|0,0,2]=3 345 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [1,0,0,0,0,0|1,0,2]=4 346 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [1,0,0,0,0,0|1,0,2]=4 347 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [1,0,0,0,0,0|1,0,2]=4 348 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,0,0,0,0,0|1,0,1]=3 349 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [1,0,0,0,0,0|2,0,1]=4 350 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [1,0,0,0,0,0|2,0,1]=4 351 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,0,0,0,0,0|1,0,1]=3 352 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [1,0,0,0,0,0|2,0,1]=4 353 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [1,0,0,0,0,0|2,0,1]=4 354 B13R1.11 C#CC(=O)CC(=O)c1ccccc1 1458a_100000211873_100000211460 [0,1,0,0,0,0|1,0,2]=4 355 B13R1.11 C=CC(=O)CC(=O)c1ccccc1 1458a_100000185746_100000211460 [0,1,0,0,0,0|1,0,2]=4 356 B13R1.11 CC(=CC(=O)CF)c1ccccc1 1458a_100000743005_100015361967 [0,1,0,0,0,0|2,0,0]=3 357 B13R1.11 CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210202 [0,1,0,0,0,0|1,0,0]=2 358 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747405 [0,1,0,0,0,0|1,0,1]=3 359 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000210414_100000211460 [0,1,0,0,0,0|1,0,1]=3 360 B13R1.11 CCC(=O)CC(=O)c1ccccn1 1458a_100000210414_100000027445 [0,1,0,0,0,0|2,0,1]=4 361 B13R1.11 CCC(=O)CC(=O)c1cccnc1 1458a_100000210414_100015188593 [0,1,0,0,0,0|2,0,1]=4 362 B13R1.11 CCC(=O)CC(=O)c1ccncc1 1458a_100000210414_100000027454 [0,1,0,0,0,0|2,0,1]=4 363 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210202 [0,1,0,0,0,0|1,0,2]=4 364 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000210414_100000756946 [0,1,0,0,0,0|1,0,2]=4 365 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [0,1,0,0,0,0|1,0,2]=4 366 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [0,1,0,0,0,0|1,0,2]=4 367 B13R1.11 CCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210202 [0,1,0,0,0,0|2,0,1]=4 368 B13R1.11 CCC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747405 [0,1,0,0,0,0|2,0,1]=4 369 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [0,1,0,0,0,0|1,0,2]=4 370 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210414 [0,1,0,0,0,0|2,0,1]=4 371 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210414 [0,1,0,0,0,0|2,0,1]=4 372 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210414 [0,1,0,0,0,0|2,0,1]=4 373 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210414 [0,1,0,0,0,0|2,0,1]=4 374 B13R1.11 CNC(=O)C=C(C)c1ccccc1 11a_106832991635_100000743005 [0,1,0,0,0,0|1,0,0]=2 375 B13R1.11 CNC(=O)C=C(C)c1ccccc1 1626a_100102657272_100000743005 [0,1,0,0,0,0|1,0,0]=2 376 B13R1.11 CNC(=O)C=C(C)c1ccccc1 240690a_100102657272_100000743005 [0,1,0,0,0,0|1,0,0]=2 377 B13R1.11 CNC(=O)C=C(C)c1ccccc1 527a_100102657272_100000743005 [0,1,0,0,0,0|1,0,0]=2 378 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183359 [0,1,0,0,0,0|1,0,1]=3 379 B13R1.11 CNC(=O)CC(C)c1ccccc1 11a_106832991635_100000183687 [0,1,0,0,0,0|1,0,2]=4 380 B13R1.11 CNC(=O)CC(C)c1ccccc1 1626a_100102657272_100000183687 [0,1,0,0,0,0|1,0,2]=4 381 B13R1.11 CNC(=O)CC(C)c1ccccc1 240690a_100102657272_100000183687 [0,1,0,0,0,0|1,0,2]=4 382 B13R1.11 CNC(=O)CC(C)c1ccccc1 527a_100102657272_100000183687 [0,1,0,0,0,0|1,0,2]=4 383 B13R1.11 CNC(=O)CC(O)c1ccccc1 240690a_100102657272_100000690199 [0,1,0,0,0,0|1,0,2]=4 384 B13R1.11 CNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183359 [0,1,0,0,0,0|2,0,1]=4 385 B13R1.11 CNC(=O)CN(C)c1ccccc1 240690a_100102657272_100000745425 [0,1,0,0,0,0|2,0,1]=4 386 B13R1.11 CNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183359 [0,1,0,0,0,0|2,0,1]=4 387 B13R1.11 CNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183359 [0,1,0,0,0,0|2,0,1]=4 388 B13R1.11 CNC(=O)CN(C)c1ccccc1 527a_100102657272_100000745425 [0,1,0,0,0,0|2,0,1]=4 389 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_106832991635 [0,1,0,0,0,0|2,0,1]=4 390 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100102657272_100000751104 [0,1,0,0,0,0|2,0,1]=4 391 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100102657272 [0,1,0,0,0,0|2,0,1]=4 392 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100102657272_100000751104 [0,1,0,0,0,0|2,0,1]=4 393 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100102657272 [0,1,0,0,0,0|2,0,1]=4 394 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_106832991638_100000751104 [0,1,0,0,0,0|2,0,1]=4 395 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [0,1,0,0,0,0|0,0,1]=2 396 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747449 [0,1,0,0,0,0|1,0,1]=3 397 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000757779_200000210301 [0,1,0,0,0,0|1,0,1]=3 398 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747449 [0,1,0,0,0,0|1,0,1]=3 399 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000757779_200000210301 [0,1,0,0,0,0|1,0,1]=3 400 B13R1.11 COC(=O)CN(C)c1ccccc1 34a_100000210012_100000747449 [0,1,0,0,0,0|1,0,1]=3 401 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 2230a_100000757779_200025704644 [0,1,0,0,0,0|1,0,1]=3 402 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 269982a_100000757779_200025704644 [0,1,0,0,0,0|1,0,1]=3 403 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [0,1,0,0,0,0|2,0,1]=4 404 B13R1.14 CCC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_100000210202 [0,1,0,0,0,0|1,0,2]=4 405 B13R1.14 CCC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_100000210202 [0,1,0,0,0,0|1,0,2]=4 406 B13R1.14 CCC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_100000210202 [0,1,0,0,0,0|1,0,2]=4 407 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210202 [0,1,0,0,0,0|1,0,0]=2 408 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000211110 [0,1,0,0,0,0|1,0,0]=2 409 B13R1.14 CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210202 [0,1,0,0,0,0|1,0,0]=2 410 B13R1.14 CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210202 [0,1,0,0,0,0|1,0,0]=2 411 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210202 [0,1,0,0,0,0|1,0,0]=2 412 B13R1.14 CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000211110 [0,1,0,0,0,0|1,0,0]=2 413 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210202 [0,1,0,0,0,0|1,0,0]=2 414 B13R1.14 CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000211110 [0,1,0,0,0,0|1,0,0]=2 415 B13R1.14 CCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000211110 [0,1,0,0,0,0|2,0,0]=3 416 B13R1.14 CCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210202 [0,1,0,0,0,0|2,0,0]=3 417 B13R1.14 CCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000211110 [0,1,0,0,0,0|2,0,0]=3 418 B13R1.14 CCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210202 [0,1,0,0,0,0|2,0,0]=3 419 B13R1.14 CCC(=O)C=Cc1cnc(cn1)C 6a_100000685221_100000211110 [0,1,0,0,0,0|3,0,0]=4 420 B13R1.14 CCC(=O)C=Cc1cnc(cn1)Cl 6a_100012001714_100000211110 [0,1,0,0,0,0|3,0,0]=4 421 B13R1.14 CCC(=O)C=Cc1cnc(nc1)C 6a_100011202771_100000211110 [0,1,0,0,0,0|3,0,0]=4 422 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000210414_100011740612 [0,1,0,0,0,0|1,0,2]=4 423 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210202 [0,1,0,0,0,0|1,0,2]=4 424 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000210414_100011713686 [0,1,0,0,0,0|1,0,2]=4 425 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210202 [0,1,0,0,0,0|1,0,2]=4 426 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000210414_100011713675 [0,1,0,0,0,0|1,0,2]=4 427 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210202 [0,1,0,0,0,0|1,0,2]=4 428 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210202 [0,1,0,0,0,0|1,0,2]=4 429 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000210414_100011217392 [0,1,0,0,0,0|1,0,2]=4 430 B13R1.14 CCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210202 [0,1,0,0,0,0|1,0,2]=4 431 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000210414_100009816426 [0,1,0,0,0,0|1,0,2]=4 432 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210202 [0,1,0,0,0,0|1,0,2]=4 433 B13R1.14 CCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210202 [0,1,0,0,0,0|2,0,1]=4 434 B13R1.14 CCC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747405 [0,1,0,0,0,0|2,0,1]=4 435 B13R1.14 CCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000210202 [0,1,0,0,0,0|2,0,1]=4 436 B13R1.14 CCC(=O)COc1ccc(cc1)C 7a_100000210336_100000747405 [0,1,0,0,0,0|2,0,1]=4 437 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210202 [0,1,0,0,0,0|2,0,1]=4 438 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747405 [0,1,0,0,0,0|2,0,1]=4 439 B13R1.14 CCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210202 [0,1,0,0,0,0|2,0,1]=4 440 B13R1.14 CCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210202 [0,1,0,0,0,0|2,0,1]=4 441 B13R1.14 CCC(=O)COc1ccc(cc1)I 7a_100000212066_100000747405 [0,1,0,0,0,0|2,0,1]=4 442 B13R1.14 CCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210202 [0,1,0,0,0,0|2,0,1]=4 443 B13R1.14 CCC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100000210202 [0,1,0,0,0,0|2,0,1]=4 444 B13R1.14 CCC(=O)CSc1ccc(cc1)Br 62a_100000747405_100000752885 [0,1,0,0,0,0|2,0,1]=4 445 B13R1.14 CCC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747405 [0,1,0,0,0,0|2,0,1]=4 446 B13R1.14 CCC(=O)CSc1ccc(cc1)C 1458a_100000179497_100000210202 [0,1,0,0,0,0|2,0,1]=4 447 B13R1.14 CCC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747405 [0,1,0,0,0,0|2,0,1]=4 448 B13R1.14 CCC(=O)CSc1ccc(cc1)C 62a_100000747405_100000186775 [0,1,0,0,0,0|2,0,1]=4 449 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000210202 [0,1,0,0,0,0|2,0,1]=4 450 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 62a_100000747405_100000755918 [0,1,0,0,0,0|2,0,1]=4 451 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747405 [0,1,0,0,0,0|2,0,1]=4 452 B13R1.14 CCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100000210202 [0,1,0,0,0,0|2,0,1]=4 453 B13R1.14 CCC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747405 [0,1,0,0,0,0|2,0,1]=4 454 B13R1.14 CCC(=O)CSc1ccc(cc1)F 62a_100000747405_100000211213 [0,1,0,0,0,0|2,0,1]=4 455 B13R1.14 CCC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747405 [0,1,0,0,0,0|2,0,1]=4 456 B13R1.14 CCC(=O)CSc1ccc(cc1)N 62a_100000747405_100000185761 [0,1,0,0,0,0|2,0,1]=4 457 B13R1.14 CCC(=O)CSc1ccc(cc1)O 62a_100000747405_100000185759 [0,1,0,0,0,0|2,0,1]=4 458 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000210414 [0,1,0,0,0,0|2,0,1]=4 459 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000210414 [0,1,0,0,0,0|2,0,1]=4 460 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000210414 [0,1,0,0,0,0|2,0,1]=4 461 B13R1.14 CCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000210414 [0,1,0,0,0,0|2,0,1]=4 462 B13R1.14 CCC(=O)NCc1ccc(cc1)C 11a_100000174908_100000210414 [0,1,0,0,0,0|2,0,1]=4 463 B13R1.14 CCC(=O)NCc1ccc(cc1)C 1626a_100000174908_100000210414 [0,1,0,0,0,0|2,0,1]=4 464 B13R1.14 CCC(=O)NCc1ccc(cc1)C 240690a_100000174908_100000210414 [0,1,0,0,0,0|2,0,1]=4 465 B13R1.14 CCC(=O)NCc1ccc(cc1)C 527a_100000174908_100000210414 [0,1,0,0,0,0|2,0,1]=4 466 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000210414 [0,1,0,0,0,0|2,0,1]=4 467 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000210414 [0,1,0,0,0,0|2,0,1]=4 468 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000210414 [0,1,0,0,0,0|2,0,1]=4 469 B13R1.14 CCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100000210414 [0,1,0,0,0,0|2,0,1]=4 470 B13R1.14 CCC(=O)NCc1ccc(cc1)F 11a_100000174882_100000210414 [0,1,0,0,0,0|2,0,1]=4 471 B13R1.14 CCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000210414 [0,1,0,0,0,0|2,0,1]=4 472 B13R1.14 CCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100000210414 [0,1,0,0,0,0|2,0,1]=4 473 B13R1.14 CCC(=O)NCc1ccc(cc1)F 527a_100000174882_100000210414 [0,1,0,0,0,0|2,0,1]=4 474 B13R1.14 CCC(=O)NCc1ccc(cc1)I 11a_100016989417_100000210414 [0,1,0,0,0,0|2,0,1]=4 475 B13R1.14 CCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000210414 [0,1,0,0,0,0|2,0,1]=4 476 B13R1.14 CCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000210414 [0,1,0,0,0,0|2,0,1]=4 477 B13R1.14 CCC(=O)NCc1ccc(cc1)I 527a_100016989417_100000210414 [0,1,0,0,0,0|2,0,1]=4 478 B13R1.14 CCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000210414 [0,1,0,0,0,0|2,0,1]=4 479 B13R1.14 CCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000210414 [0,1,0,0,0,0|2,0,1]=4 480 B13R1.14 CCC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000210414 [0,1,0,0,0,0|3,0,0]=4 481 B13R1.14 CCC(=O)NNc1ccc(cc1)C 22a_100000683527_100000210414 [0,1,0,0,0,0|3,0,0]=4 482 B13R1.14 CCC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000210414 [0,1,0,0,0,0|3,0,0]=4 483 B13R1.14 CCC(=O)NNc1ccc(cc1)F 22a_100000728448_100000210414 [0,1,0,0,0,0|3,0,0]=4 484 B13R1.14 CCC(=O)NNc1ccc(cc1)I 22a_100016988836_100000210414 [0,1,0,0,0,0|3,0,0]=4 485 B13R1.14 CNC(=O)C#Cc1ccc(cc1)Cl 240690a_100102657272_100011892723 [0,1,0,0,0,0|1,0,2]=4 486 B13R1.14 CNC(=O)C#Cc1ccc(cc1)F 240690a_100102657272_100000238512 [0,1,0,0,0,0|1,0,2]=4 487 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 11a_106832991635_100016267368 [0,1,0,0,0,0|1,0,0]=2 488 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Br 1626a_100102657272_100016267368 [0,1,0,0,0,0|1,0,0]=2 489 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 11a_106832991635_100000716854 [0,1,0,0,0,0|1,0,0]=2 490 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 1626a_100102657272_100000716854 [0,1,0,0,0,0|1,0,0]=2 491 B13R1.14 CNC(=O)C=Cc1ccc(cc1)C 240690a_100102657272_100000716854 [0,1,0,0,0,0|1,0,0]=2 492 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 11a_106832991635_100000184863 [0,1,0,0,0,0|1,0,0]=2 493 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100102657272_100000184863 [0,1,0,0,0,0|1,0,0]=2 494 B13R1.14 CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100102657272_100000184863 [0,1,0,0,0,0|1,0,0]=2 495 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 11a_106832991635_100000182136 [0,1,0,0,0,0|1,0,0]=2 496 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 1626a_100102657272_100000182136 [0,1,0,0,0,0|1,0,0]=2 497 B13R1.14 CNC(=O)C=Cc1ccc(cc1)F 240690a_100102657272_100000182136 [0,1,0,0,0,0|1,0,0]=2 498 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 11a_106832991635_100102526154 [0,1,0,0,0,0|1,0,0]=2 499 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 1626a_100102657272_100102526154 [0,1,0,0,0,0|1,0,0]=2 500 B13R1.14 CNC(=O)C=Cc1ccc(cc1)I 240690a_100102657272_100102526154 [0,1,0,0,0,0|1,0,0]=2 501 B13R1.14 CNC(=O)C=Cc1ccc(cc1)O 240690a_100102657272_100016269017 [0,1,0,0,0,0|1,0,0]=2 502 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 11a_106832991635_100020630499 [0,1,0,0,0,0|2,0,0]=3 503 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 1626a_100102657272_100020630499 [0,1,0,0,0,0|2,0,0]=3 504 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 240690a_100102657272_100020630499 [0,1,0,0,0,0|2,0,0]=3 505 B13R1.14 CNC(=O)C=Cc1ccc(nc1)Br 11a_106832991635_100020588214 [0,1,0,0,0,0|2,0,0]=3 506 B13R1.14 CNC(=O)C=Cc1ccc(nc1)Br 1626a_100102657272_100020588214 [0,1,0,0,0,0|2,0,0]=3 507 B13R1.14 CNC(=O)C=Cc1ccc(nc1)Br 240690a_100102657272_100020588214 [0,1,0,0,0,0|2,0,0]=3 508 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 11a_106832991635_100000217147 [0,1,0,0,0,0|1,0,2]=4 509 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 1626a_100102657272_100000217147 [0,1,0,0,0,0|1,0,2]=4 510 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 240690a_100102657272_100000217147 [0,1,0,0,0,0|1,0,2]=4 511 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 527a_100102657272_100000217147 [0,1,0,0,0,0|1,0,2]=4 512 B13R1.14 CNC(=O)CCc1ccc(cc1)C 11a_106832991635_100000234883 [0,1,0,0,0,0|1,0,2]=4 513 B13R1.14 CNC(=O)CCc1ccc(cc1)C 1626a_100102657272_100000234883 [0,1,0,0,0,0|1,0,2]=4 514 B13R1.14 CNC(=O)CCc1ccc(cc1)C 240690a_100102657272_100000234883 [0,1,0,0,0,0|1,0,2]=4 515 B13R1.14 CNC(=O)CCc1ccc(cc1)C 527a_100102657272_100000234883 [0,1,0,0,0,0|1,0,2]=4 516 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 11a_106832991635_100000235379 [0,1,0,0,0,0|1,0,2]=4 517 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 1626a_100102657272_100000235379 [0,1,0,0,0,0|1,0,2]=4 518 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 240690a_100102657272_100000235379 [0,1,0,0,0,0|1,0,2]=4 519 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 527a_100102657272_100000235379 [0,1,0,0,0,0|1,0,2]=4 520 B13R1.14 CNC(=O)CCc1ccc(cc1)F 11a_106832991635_100000198493 [0,1,0,0,0,0|1,0,2]=4 521 B13R1.14 CNC(=O)CCc1ccc(cc1)F 1626a_100102657272_100000198493 [0,1,0,0,0,0|1,0,2]=4 522 B13R1.14 CNC(=O)CCc1ccc(cc1)F 240690a_100102657272_100000198493 [0,1,0,0,0,0|1,0,2]=4 523 B13R1.14 CNC(=O)CCc1ccc(cc1)F 527a_100102657272_100000198493 [0,1,0,0,0,0|1,0,2]=4 524 B13R1.14 CNC(=O)CCc1ccc(cc1)I 11a_106832991635_100011217499 [0,1,0,0,0,0|1,0,2]=4 525 B13R1.14 CNC(=O)CCc1ccc(cc1)I 1626a_100102657272_100011217499 [0,1,0,0,0,0|1,0,2]=4 526 B13R1.14 CNC(=O)CCc1ccc(cc1)I 240690a_100102657272_100011217499 [0,1,0,0,0,0|1,0,2]=4 527 B13R1.14 CNC(=O)CCc1ccc(cc1)I 527a_100102657272_100011217499 [0,1,0,0,0,0|1,0,2]=4 528 B13R1.14 CNC(=O)CCc1ccc(cc1)O 240690a_100102657272_100000742835 [0,1,0,0,0,0|1,0,2]=4 529 B13R1.14 CNC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010273138 [0,1,0,0,0,0|1,0,2]=4 530 B13R1.14 CNC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000183359 [0,1,0,0,0,0|2,0,1]=4 531 B13R1.14 CNC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000183359 [0,1,0,0,0,0|2,0,1]=4 532 B13R1.14 CNC(=O)CNc1ccc(cc1)C 34a_100000124888_100000183359 [0,1,0,0,0,0|2,0,1]=4 533 B13R1.14 CNC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000183359 [0,1,0,0,0,0|2,0,1]=4 534 B13R1.14 CNC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000183359 [0,1,0,0,0,0|2,0,1]=4 535 B13R1.14 CNC(=O)CNc1ccc(cc1)F 34a_100000185862_100000183359 [0,1,0,0,0,0|2,0,1]=4 536 B13R1.14 CNC(=O)CNc1ccc(cc1)I 34a_100000185761_100000183359 [0,1,0,0,0,0|2,0,1]=4 537 B13R1.14 CNC(=O)CNc1ccc(cc1)O 34a_100000185829_100000183359 [0,1,0,0,0,0|2,0,1]=4 538 B13R1.14 CNC(=O)COc1ccc(cc1)Br 11a_106832991635_100000182358 [0,1,0,0,0,0|2,0,1]=4 539 B13R1.14 CNC(=O)COc1ccc(cc1)Br 1626a_100102657272_100000182358 [0,1,0,0,0,0|2,0,1]=4 540 B13R1.14 CNC(=O)COc1ccc(cc1)Br 240690a_100102657272_100000182358 [0,1,0,0,0,0|2,0,1]=4 541 B13R1.14 CNC(=O)COc1ccc(cc1)Br 34a_100000185759_100000183359 [0,1,0,0,0,0|2,0,1]=4 542 B13R1.14 CNC(=O)COc1ccc(cc1)Br 527a_100102657272_100000182358 [0,1,0,0,0,0|2,0,1]=4 543 B13R1.14 CNC(=O)COc1ccc(cc1)Br 7a_100000185759_100000183359 [0,1,0,0,0,0|2,0,1]=4 544 B13R1.14 CNC(=O)COc1ccc(cc1)C 11a_106832991635_100000182360 [0,1,0,0,0,0|2,0,1]=4 545 B13R1.14 CNC(=O)COc1ccc(cc1)C 1626a_100102657272_100000182360 [0,1,0,0,0,0|2,0,1]=4 546 B13R1.14 CNC(=O)COc1ccc(cc1)C 240690a_100102657272_100000182360 [0,1,0,0,0,0|2,0,1]=4 547 B13R1.14 CNC(=O)COc1ccc(cc1)C 34a_100000210336_100000183359 [0,1,0,0,0,0|2,0,1]=4 548 B13R1.14 CNC(=O)COc1ccc(cc1)C 527a_100102657272_100000182360 [0,1,0,0,0,0|2,0,1]=4 549 B13R1.14 CNC(=O)COc1ccc(cc1)C 7a_100000210336_100000183359 [0,1,0,0,0,0|2,0,1]=4 550 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 11a_106832991635_100016990877 [0,1,0,0,0,0|2,0,1]=4 551 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 1626a_100102657272_100016990877 [0,1,0,0,0,0|2,0,1]=4 552 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 240690a_100102657272_100016990877 [0,1,0,0,0,0|2,0,1]=4 553 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183359 [0,1,0,0,0,0|2,0,1]=4 554 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 527a_100102657272_100016990877 [0,1,0,0,0,0|2,0,1]=4 555 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183359 [0,1,0,0,0,0|2,0,1]=4 556 B13R1.14 CNC(=O)COc1ccc(cc1)F 11a_106832991635_100000184765 [0,1,0,0,0,0|2,0,1]=4 557 B13R1.14 CNC(=O)COc1ccc(cc1)F 1626a_100102657272_100000184765 [0,1,0,0,0,0|2,0,1]=4 558 B13R1.14 CNC(=O)COc1ccc(cc1)F 240690a_100102657272_100000184765 [0,1,0,0,0,0|2,0,1]=4 559 B13R1.14 CNC(=O)COc1ccc(cc1)F 34a_100000210339_100000183359 [0,1,0,0,0,0|2,0,1]=4 560 B13R1.14 CNC(=O)COc1ccc(cc1)F 527a_100102657272_100000184765 [0,1,0,0,0,0|2,0,1]=4 561 B13R1.14 CNC(=O)COc1ccc(cc1)I 11a_106832991635_100000184369 [0,1,0,0,0,0|2,0,1]=4 562 B13R1.14 CNC(=O)COc1ccc(cc1)I 1626a_100102657272_100000184369 [0,1,0,0,0,0|2,0,1]=4 563 B13R1.14 CNC(=O)COc1ccc(cc1)I 240690a_100102657272_100000184369 [0,1,0,0,0,0|2,0,1]=4 564 B13R1.14 CNC(=O)COc1ccc(cc1)I 34a_100000212066_100000183359 [0,1,0,0,0,0|2,0,1]=4 565 B13R1.14 CNC(=O)COc1ccc(cc1)I 527a_100102657272_100000184369 [0,1,0,0,0,0|2,0,1]=4 566 B13R1.14 CNC(=O)COc1ccc(cc1)I 7a_100000212066_100000183359 [0,1,0,0,0,0|2,0,1]=4 567 B13R1.14 CNC(=O)COc1ccc(cc1)N 34a_100000185829_100000183359 [0,1,0,0,0,0|2,0,1]=4 568 B13R1.14 CNC(=O)COc1ccc(cc1)O 240690a_100102657272_100000031633 [0,1,0,0,0,0|2,0,1]=4 569 B13R1.14 CNC(=O)COc1ccc(cc1)O 271570a_203496583355_200000150405 [0,1,0,0,0,0|2,0,1]=4 570 B13R1.14 CNC(=O)COc1ccc(cc1)O 527a_100102657272_100000031633 [0,1,0,0,0,0|2,0,1]=4 571 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 11a_106832991635_100000179496 [0,1,0,0,0,0|2,0,1]=4 572 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 1626a_100102657272_100000179496 [0,1,0,0,0,0|2,0,1]=4 573 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 240690a_100102657272_100000179496 [0,1,0,0,0,0|2,0,1]=4 574 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 527a_100102657272_100000179496 [0,1,0,0,0,0|2,0,1]=4 575 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 62a_100000183359_100000752885 [0,1,0,0,0,0|2,0,1]=4 576 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000183359 [0,1,0,0,0,0|2,0,1]=4 577 B13R1.14 CNC(=O)CSc1ccc(cc1)C 11a_106832991635_100000179497 [0,1,0,0,0,0|2,0,1]=4 578 B13R1.14 CNC(=O)CSc1ccc(cc1)C 1626a_100102657272_100000179497 [0,1,0,0,0,0|2,0,1]=4 579 B13R1.14 CNC(=O)CSc1ccc(cc1)C 240690a_100102657272_100000179497 [0,1,0,0,0,0|2,0,1]=4 580 B13R1.14 CNC(=O)CSc1ccc(cc1)C 527a_100102657272_100000179497 [0,1,0,0,0,0|2,0,1]=4 581 B13R1.14 CNC(=O)CSc1ccc(cc1)C 62a_100000183359_100000186775 [0,1,0,0,0,0|2,0,1]=4 582 B13R1.14 CNC(=O)CSc1ccc(cc1)C 62a_100000186775_100000183359 [0,1,0,0,0,0|2,0,1]=4 583 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 11a_106832991635_100000178402 [0,1,0,0,0,0|2,0,1]=4 584 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 1626a_100102657272_100000178402 [0,1,0,0,0,0|2,0,1]=4 585 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 240690a_100102657272_100000178402 [0,1,0,0,0,0|2,0,1]=4 586 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 527a_100102657272_100000178402 [0,1,0,0,0,0|2,0,1]=4 587 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 62a_100000183359_100000755918 [0,1,0,0,0,0|2,0,1]=4 588 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000183359 [0,1,0,0,0,0|2,0,1]=4 589 B13R1.14 CNC(=O)CSc1ccc(cc1)F 11a_106832991635_100000691584 [0,1,0,0,0,0|2,0,1]=4 590 B13R1.14 CNC(=O)CSc1ccc(cc1)F 1626a_100102657272_100000691584 [0,1,0,0,0,0|2,0,1]=4 591 B13R1.14 CNC(=O)CSc1ccc(cc1)F 240690a_100102657272_100000691584 [0,1,0,0,0,0|2,0,1]=4 592 B13R1.14 CNC(=O)CSc1ccc(cc1)F 527a_100102657272_100000691584 [0,1,0,0,0,0|2,0,1]=4 593 B13R1.14 CNC(=O)CSc1ccc(cc1)F 62a_100000183359_100000211213 [0,1,0,0,0,0|2,0,1]=4 594 B13R1.14 CNC(=O)CSc1ccc(cc1)F 62a_100000211213_100000183359 [0,1,0,0,0,0|2,0,1]=4 595 B13R1.14 CNC(=O)CSc1ccc(cc1)N 62a_100000183359_100000185761 [0,1,0,0,0,0|2,0,1]=4 596 B13R1.14 CNC(=O)CSc1ccc(cc1)N 62a_100000185761_100000183359 [0,1,0,0,0,0|2,0,1]=4 597 B13R1.14 CNC(=O)CSc1ccc(cc1)O 62a_100000183359_100000185759 [0,1,0,0,0,0|2,0,1]=4 598 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_106832991635 [0,1,0,0,0,0|2,0,1]=4 599 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 2708a_100102657272_100000174875 [0,1,0,0,0,0|2,0,1]=4 600 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100102657272 [0,1,0,0,0,0|2,0,1]=4 601 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 273464a_100102657272_100000174875 [0,1,0,0,0,0|2,0,1]=4 602 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 512a_100000174875_100102657272 [0,1,0,0,0,0|2,0,1]=4 603 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 512a_106832991638_100000174875 [0,1,0,0,0,0|2,0,1]=4 604 B13R1.14 CNC(=O)NCc1ccc(cc1)C 2708a_100000174908_106832991635 [0,1,0,0,0,0|2,0,1]=4 605 B13R1.14 CNC(=O)NCc1ccc(cc1)C 2708a_100102657272_100000174908 [0,1,0,0,0,0|2,0,1]=4 606 B13R1.14 CNC(=O)NCc1ccc(cc1)C 273464a_100000174908_100102657272 [0,1,0,0,0,0|2,0,1]=4 607 B13R1.14 CNC(=O)NCc1ccc(cc1)C 273464a_100102657272_100000174908 [0,1,0,0,0,0|2,0,1]=4 608 B13R1.14 CNC(=O)NCc1ccc(cc1)C 512a_100000174908_100102657272 [0,1,0,0,0,0|2,0,1]=4 609 B13R1.14 CNC(=O)NCc1ccc(cc1)C 512a_106832991638_100000174908 [0,1,0,0,0,0|2,0,1]=4 610 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_106832991635 [0,1,0,0,0,0|2,0,1]=4 611 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 2708a_100102657272_100000174871 [0,1,0,0,0,0|2,0,1]=4 612 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100102657272 [0,1,0,0,0,0|2,0,1]=4 613 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 273464a_100102657272_100000174871 [0,1,0,0,0,0|2,0,1]=4 614 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 512a_106832991638_100000174871 [0,1,0,0,0,0|2,0,1]=4 615 B13R1.14 CNC(=O)NCc1ccc(cc1)F 2708a_100000174882_106832991635 [0,1,0,0,0,0|2,0,1]=4 616 B13R1.14 CNC(=O)NCc1ccc(cc1)F 2708a_100102657272_100000174882 [0,1,0,0,0,0|2,0,1]=4 617 B13R1.14 CNC(=O)NCc1ccc(cc1)F 273464a_100000174882_100102657272 [0,1,0,0,0,0|2,0,1]=4 618 B13R1.14 CNC(=O)NCc1ccc(cc1)F 273464a_100102657272_100000174882 [0,1,0,0,0,0|2,0,1]=4 619 B13R1.14 CNC(=O)NCc1ccc(cc1)F 512a_100000174882_100102657272 [0,1,0,0,0,0|2,0,1]=4 620 B13R1.14 CNC(=O)NCc1ccc(cc1)F 512a_106832991638_100000174882 [0,1,0,0,0,0|2,0,1]=4 621 B13R1.14 CNC(=O)NCc1ccc(cc1)I 2708a_100016989417_106832991635 [0,1,0,0,0,0|2,0,1]=4 622 B13R1.14 CNC(=O)NCc1ccc(cc1)I 2708a_100102657272_100016989417 [0,1,0,0,0,0|2,0,1]=4 623 B13R1.14 CNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100102657272 [0,1,0,0,0,0|2,0,1]=4 624 B13R1.14 CNC(=O)NCc1ccc(cc1)I 273464a_100102657272_100016989417 [0,1,0,0,0,0|2,0,1]=4 625 B13R1.14 CNC(=O)NCc1ccc(cc1)I 512a_100016989417_100102657272 [0,1,0,0,0,0|2,0,1]=4 626 B13R1.14 CNC(=O)NCc1ccc(cc1)I 512a_106832991638_100016989417 [0,1,0,0,0,0|2,0,1]=4 627 B13R1.14 CNC(=O)NCc1ccc(cc1)O 2708a_100000185549_106832991635 [0,1,0,0,0,0|2,0,1]=4 628 B13R1.14 CNC(=O)NCc1ccc(cc1)O 2708a_100102657272_100000185549 [0,1,0,0,0,0|2,0,1]=4 629 B13R1.14 CNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100102657272 [0,1,0,0,0,0|2,0,1]=4 630 B13R1.14 CNC(=O)NCc1ccc(cc1)O 273464a_100102657272_100000185549 [0,1,0,0,0,0|2,0,1]=4 631 B13R1.14 CNC(=O)NCc1ccc(cc1)O 512a_106832991638_100000185549 [0,1,0,0,0,0|2,0,1]=4 632 B13R1.14 CNC(=O)NNc1ccc(cc1)Br 273464a_100102657272_100000735608 [0,1,0,0,0,0|3,0,0]=4 633 B13R1.14 CNC(=O)NNc1ccc(cc1)Br 512a_106832991638_100000735608 [0,1,0,0,0,0|3,0,0]=4 634 B13R1.14 CNC(=O)NNc1ccc(cc1)C 273464a_100102657272_100000683527 [0,1,0,0,0,0|3,0,0]=4 635 B13R1.14 CNC(=O)NNc1ccc(cc1)C 512a_106832991638_100000683527 [0,1,0,0,0,0|3,0,0]=4 636 B13R1.14 CNC(=O)NNc1ccc(cc1)Cl 273464a_100102657272_100000683521 [0,1,0,0,0,0|3,0,0]=4 637 B13R1.14 CNC(=O)NNc1ccc(cc1)Cl 512a_106832991638_100000683521 [0,1,0,0,0,0|3,0,0]=4 638 B13R1.14 CNC(=O)NNc1ccc(cc1)F 273464a_100102657272_100000728448 [0,1,0,0,0,0|3,0,0]=4 639 B13R1.14 CNC(=O)NNc1ccc(cc1)F 512a_106832991638_100000728448 [0,1,0,0,0,0|3,0,0]=4 640 B13R1.14 CNC(=O)NNc1ccc(cc1)I 273464a_100102657272_100016988836 [0,1,0,0,0,0|3,0,0]=4 641 B13R1.14 CNC(=O)NNc1ccc(cc1)I 512a_106832991638_100016988836 [0,1,0,0,0,0|3,0,0]=4 642 B13R1.14 COC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100000148628 [0,1,0,0,0,0|0,0,0]=1 643 B13R1.14 COC(=O)C#Cc1ccc(cc1)O 271570a_203496583355_100012100070 [0,1,0,0,0,0|0,0,2]=3 644 B13R1.14 COC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012357364 [0,1,0,0,0,0|0,0,2]=3 645 B13R1.14 COC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747449 [0,1,0,0,0,0|1,0,1]=3 646 B13R1.14 COC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000747449 [0,1,0,0,0,0|1,0,1]=3 647 B13R1.14 COC(=O)CNc1ccc(cc1)C 34a_100000124888_100000747449 [0,1,0,0,0,0|1,0,1]=3 648 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747449 [0,1,0,0,0,0|1,0,1]=3 649 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000747449 [0,1,0,0,0,0|1,0,1]=3 650 B13R1.14 COC(=O)CNc1ccc(cc1)F 34a_100000185862_100000747449 [0,1,0,0,0,0|1,0,1]=3 651 B13R1.14 COC(=O)CNc1ccc(cc1)I 34a_100000185761_100000747449 [0,1,0,0,0,0|1,0,1]=3 652 B13R1.14 COC(=O)CNc1ccc(cc1)O 34a_100000185829_100000747449 [0,1,0,0,0,0|1,0,1]=3 653 B13R1.14 COC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000747449 [0,1,0,0,0,0|2,0,1]=4 654 B13R1.14 COC(=O)COc1ccc(cc1)Br 34a_100000185759_100000747449 [0,1,0,0,0,0|1,0,1]=3 655 B13R1.14 COC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747449 [0,1,0,0,0,0|1,0,1]=3 656 B13R1.14 COC(=O)COc1ccc(cc1)C 34a_100000210336_100000747449 [0,1,0,0,0,0|1,0,1]=3 657 B13R1.14 COC(=O)COc1ccc(cc1)C 7a_100000210336_100000747449 [0,1,0,0,0,0|1,0,1]=3 658 B13R1.14 COC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000747449 [0,1,0,0,0,0|1,0,1]=3 659 B13R1.14 COC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747449 [0,1,0,0,0,0|1,0,1]=3 660 B13R1.14 COC(=O)COc1ccc(cc1)F 34a_100000210339_100000747449 [0,1,0,0,0,0|1,0,1]=3 661 B13R1.14 COC(=O)COc1ccc(cc1)I 34a_100000212066_100000747449 [0,1,0,0,0,0|1,0,1]=3 662 B13R1.14 COC(=O)COc1ccc(cc1)I 7a_100000212066_100000747449 [0,1,0,0,0,0|1,0,1]=3 663 B13R1.14 COC(=O)COc1ccc(cc1)N 34a_100000185829_100000747449 [0,1,0,0,0,0|1,0,1]=3 664 B13R1.14 COC(=O)COc1ccc(cc1)O 271570a_203496583355_100000149925 [0,1,0,0,0,0|1,0,1]=3 665 B13R1.14 COC(=O)COc1ccc(cn1)C 34a_100000759353_100000747449 [0,1,0,0,0,0|2,0,1]=4 666 B13R1.14 COC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000747449 [0,1,0,0,0,0|2,0,1]=4 667 B13R1.14 COC(=O)COc1ccc(cn1)F 34a_100000742473_100000747449 [0,1,0,0,0,0|2,0,1]=4 668 B13R1.14 COC(=O)COc1ccc(cn1)N 34a_100000729260_100000747449 [0,1,0,0,0,0|2,0,1]=4 669 B13R1.14 COC(=O)COc1ccc(nc1)Br 34a_100000685995_100000747449 [0,1,0,0,0,0|2,0,1]=4 670 B13R1.14 COC(=O)COc1ccc(nc1)Br 7a_100000685995_100000747449 [0,1,0,0,0,0|2,0,1]=4 671 B13R1.14 COC(=O)COc1ccc(nc1)C 34a_100000745506_100000747449 [0,1,0,0,0,0|2,0,1]=4 672 B13R1.14 COC(=O)COc1ccc(nc1)C 7a_100000745506_100000747449 [0,1,0,0,0,0|2,0,1]=4 673 B13R1.14 COC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000747449 [0,1,0,0,0,0|2,0,1]=4 674 B13R1.14 COC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000747449 [0,1,0,0,0,0|2,0,1]=4 675 B13R1.14 COC(=O)COc1ccc(nc1)F 34a_100000688820_100000747449 [0,1,0,0,0,0|2,0,1]=4 676 B13R1.14 COC(=O)COc1ccc(nc1)F 7a_100000688820_100000747449 [0,1,0,0,0,0|2,0,1]=4 677 B13R1.14 COC(=O)COc1ccc(nc1)I 34a_100000687607_100000747449 [0,1,0,0,0,0|2,0,1]=4 678 B13R1.14 COC(=O)COc1ccc(nc1)I 7a_100000687607_100000747449 [0,1,0,0,0,0|2,0,1]=4 679 B13R1.14 COC(=O)COc1ccc(nc1)N 34a_100015188713_100000747449 [0,1,0,0,0,0|2,0,1]=4 680 B13R1.14 COC(=O)COc1ccc(nc1)N 7a_100015188713_100000747449 [0,1,0,0,0,0|2,0,1]=4 681 B13R1.14 COC(=O)COc1ccc(nc1)O 271570a_203496583355_100010870986 [0,1,0,0,0,0|2,0,1]=4 682 B13R1.14 COC(=O)CSc1cc[n+](cc1)[O-] 62a_100000747449_100000039755 [0,1,0,0,0,0|2,0,1]=4 683 B13R1.14 COC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000747449 [0,1,0,0,0,0|2,0,1]=4 684 B13R1.14 COC(=O)CSc1ccc(=O)[nH]c1 62a_100000747449_100000212171 [0,1,0,0,0,0|2,0,1]=4 685 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000747449_100000752885 [0,1,0,0,0,0|1,0,1]=3 686 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747449 [0,1,0,0,0,0|1,0,1]=3 687 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747449 [0,1,0,0,0,0|1,0,1]=3 688 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000747449_100000186775 [0,1,0,0,0,0|1,0,1]=3 689 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000747449_100000755918 [0,1,0,0,0,0|1,0,1]=3 690 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747449 [0,1,0,0,0,0|1,0,1]=3 691 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747449 [0,1,0,0,0,0|1,0,1]=3 692 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000747449_100000211213 [0,1,0,0,0,0|1,0,1]=3 693 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747449 [0,1,0,0,0,0|1,0,1]=3 694 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000747449_100000185761 [0,1,0,0,0,0|1,0,1]=3 695 B13R1.14 COC(=O)CSc1ccc(cc1)O 62a_100000747449_100000185759 [0,1,0,0,0,0|1,0,1]=3 696 B13R1.14 COC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000747449 [0,1,0,0,0,0|2,0,1]=4 697 B13R1.14 COC(=O)CSc1ccc(cn1)Br 62a_100000747449_100000686858 [0,1,0,0,0,0|2,0,1]=4 698 B13R1.14 COC(=O)CSc1ccc(cn1)C 62a_100000747449_100000754016 [0,1,0,0,0,0|2,0,1]=4 699 B13R1.14 COC(=O)CSc1ccc(cn1)C 62a_100011192072_100000747449 [0,1,0,0,0,0|2,0,1]=4 700 B13R1.14 COC(=O)CSc1ccc(cn1)Cl 62a_100000747449_100011356976 [0,1,0,0,0,0|2,0,1]=4 701 B13R1.14 COC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000747449 [0,1,0,0,0,0|2,0,1]=4 702 B13R1.14 COC(=O)CSc1ccc(cn1)F 62a_100000744514_100000747449 [0,1,0,0,0,0|2,0,1]=4 703 B13R1.14 COC(=O)CSc1ccc(cn1)F 62a_100000747449_100000744514 [0,1,0,0,0,0|2,0,1]=4 704 B13R1.14 COC(=O)CSc1ccc(cn1)N 62a_100000737798_100000747449 [0,1,0,0,0,0|2,0,1]=4 705 B13R1.14 COC(=O)CSc1ccc(cn1)N 62a_100000747449_100000737798 [0,1,0,0,0,0|2,0,1]=4 706 B13R1.14 COC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747449 [0,1,0,0,0,0|2,0,1]=4 707 B13R1.14 COC(=O)CSc1ccc(cn1)O 62a_100000747449_100000744096 [0,1,0,0,0,0|2,0,1]=4 708 B13R1.14 COC(=O)CSc1ccc(nc1)Br 62a_100000747449_100009814638 [0,1,0,0,0,0|2,0,1]=4 709 B13R1.14 COC(=O)CSc1ccc(nc1)Br 62a_100009814638_100000747449 [0,1,0,0,0,0|2,0,1]=4 710 B13R1.14 COC(=O)CSc1ccc(nc1)C 62a_100000747449_100000751577 [0,1,0,0,0,0|2,0,1]=4 711 B13R1.14 COC(=O)CSc1ccc(nc1)C 62a_100000751577_100000747449 [0,1,0,0,0,0|2,0,1]=4 712 B13R1.14 COC(=O)CSc1ccc(nc1)Cl 62a_100000034144_100000747449 [0,1,0,0,0,0|2,0,1]=4 713 B13R1.14 COC(=O)CSc1ccc(nc1)Cl 62a_100000747449_100000034144 [0,1,0,0,0,0|2,0,1]=4 714 B13R1.14 COC(=O)CSc1ccc(nc1)F 62a_100000042367_100000747449 [0,1,0,0,0,0|2,0,1]=4 715 B13R1.14 COC(=O)CSc1ccc(nc1)F 62a_100000747449_100000042367 [0,1,0,0,0,0|2,0,1]=4 716 B13R1.14 COC(=O)CSc1ccc(nc1)N 62a_100000187370_100000747449 [0,1,0,0,0,0|2,0,1]=4 717 B13R1.14 COC(=O)CSc1ccc(nc1)N 62a_100000747449_100000187370 [0,1,0,0,0,0|2,0,1]=4 718 B13R1.14 Cc1ccc(cc1)C=CC(=O)CF 1458a_100000716854_100015361967 [0,1,0,0,0,0|2,0,0]=3 719 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CBr 6a_100000186029_100009888967 [0,1,0,0,0,0|2,0,0]=3 720 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CCl 6a_100000186029_100000086384 [0,1,0,0,0,0|2,0,0]=3 721 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CF 1458a_100016267368_100015361967 [0,1,0,0,0,0|2,0,0]=3 722 B13R1.14 O=C(C=Cc1ccc(cc1)Br)CF 6a_100000186029_100000764096 [0,1,0,0,0,0|2,0,0]=3 723 B13R1.14 O=C(C=Cc1ccc(cc1)Cl)CF 1458a_100000184863_100015361967 [0,1,0,0,0,0|2,0,0]=3 724 B13R1.14 O=C(C=Cc1ccc(cc1)F)CBr 6a_100000210084_100009888967 [0,1,0,0,0,0|2,0,0]=3 725 B13R1.14 O=C(C=Cc1ccc(cc1)F)CCl 6a_100000210084_100000086384 [0,1,0,0,0,0|2,0,0]=3 726 B13R1.14 O=C(C=Cc1ccc(cc1)F)CF 1458a_100000182136_100015361967 [0,1,0,0,0,0|2,0,0]=3 727 B13R1.14 O=C(C=Cc1ccc(cc1)F)CF 6a_100000210084_100000764096 [0,1,0,0,0,0|2,0,0]=3 728 B13R1.14 O=C(C=Cc1ccc(cc1)I)CBr 6a_100000188517_100009888967 [0,1,0,0,0,0|2,0,0]=3 729 B13R1.14 O=C(C=Cc1ccc(cc1)I)CCl 6a_100000188517_100000086384 [0,1,0,0,0,0|2,0,0]=3 730 B13R1.14 O=C(C=Cc1ccc(cc1)I)CF 1458a_100102526154_100015361967 [0,1,0,0,0,0|2,0,0]=3 731 B13R1.14 O=C(C=Cc1ccc(cc1)I)CF 6a_100000188517_100000764096 [0,1,0,0,0,0|2,0,0]=3 732 B13R1.14 O=C(C=Cc1ccc(cn1)Br)CBr 6a_100000754260_100009888967 [0,1,0,0,0,0|3,0,0]=4 733 B13R1.14 O=C(C=Cc1ccc(cn1)Br)CCl 6a_100000754260_100000086384 [0,1,0,0,0,0|3,0,0]=4 734 B13R1.14 O=C(C=Cc1ccc(cn1)Br)CF 6a_100000754260_100000764096 [0,1,0,0,0,0|3,0,0]=4 735 B13R1.14 O=C(C=Cc1ccc(cn1)F)CBr 6a_100011934744_100009888967 [0,1,0,0,0,0|3,0,0]=4 736 B13R1.14 O=C(C=Cc1ccc(cn1)F)CCl 6a_100011934744_100000086384 [0,1,0,0,0,0|3,0,0]=4 737 B13R1.14 O=C(C=Cc1ccc(cn1)F)CF 1458a_100020630499_100015361967 [0,1,0,0,0,0|3,0,0]=4 738 B13R1.14 O=C(C=Cc1ccc(cn1)F)CF 6a_100011934744_100000764096 [0,1,0,0,0,0|3,0,0]=4 739 B13R1.14 O=C(C=Cc1ccc(nc1)Br)CF 1458a_100020588214_100015361967 [0,1,0,0,0,0|3,0,0]=4 740 B13R1.15 CCC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_100000210202 [0,1,0,0,0,0|1,0,2]=4 741 B13R1.15 CCC(=O)C#Cc1cccc(c1)C 1458a_100011892726_100000210202 [0,1,0,0,0,0|1,0,2]=4 742 B13R1.15 CCC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_100000210202 [0,1,0,0,0,0|1,0,2]=4 743 B13R1.15 CCC(=O)C#Cc1cccc(c1)F 1458a_100011892744_100000210202 [0,1,0,0,0,0|1,0,2]=4 744 B13R1.15 CCC(=O)C#Cc1cccc(c1)O 1458a_200009909484_100000210202 [0,1,0,0,0,0|1,0,2]=4 745 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210202 [0,1,0,0,0,0|1,0,0]=2 746 B13R1.15 CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000211110 [0,1,0,0,0,0|1,0,0]=2 747 B13R1.15 CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210202 [0,1,0,0,0,0|1,0,0]=2 748 B13R1.15 CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210202 [0,1,0,0,0,0|1,0,0]=2 749 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210202 [0,1,0,0,0,0|1,0,0]=2 750 B13R1.15 CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000211110 [0,1,0,0,0,0|1,0,0]=2 751 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210202 [0,1,0,0,0,0|1,0,0]=2 752 B13R1.15 CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000211110 [0,1,0,0,0,0|1,0,0]=2 753 B13R1.15 CCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000211110 [0,1,0,0,0,0|2,0,0]=3 754 B13R1.15 CCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000211110 [0,1,0,0,0,0|2,0,0]=3 755 B13R1.15 CCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000211110 [0,1,0,0,0,0|2,0,0]=3 756 B13R1.15 CCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000211110 [0,1,0,0,0,0|2,0,0]=3 757 B13R1.15 CCC(=O)C=Cc1cncc(n1)C 6a_100000100294_100000211110 [0,1,0,0,0,0|3,0,0]=4 758 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210202 [0,1,0,0,0,0|1,0,2]=4 759 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000210414_100011740638 [0,1,0,0,0,0|1,0,2]=4 760 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000210414_100011713685 [0,1,0,0,0,0|1,0,2]=4 761 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210202 [0,1,0,0,0,0|1,0,2]=4 762 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000210414_100011713710 [0,1,0,0,0,0|1,0,2]=4 763 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210202 [0,1,0,0,0,0|1,0,2]=4 764 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000210414_100011217235 [0,1,0,0,0,0|1,0,2]=4 765 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210202 [0,1,0,0,0,0|1,0,2]=4 766 B13R1.15 CCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210202 [0,1,0,0,0,0|1,0,2]=4 767 B13R1.15 CCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210202 [0,1,0,0,0,0|1,0,2]=4 768 B13R1.15 CCC(=O)COc1cccc(c1)Br 1458a_100000182359_100000210202 [0,1,0,0,0,0|2,0,1]=4 769 B13R1.15 CCC(=O)COc1cccc(c1)Br 7a_100000210342_100000747405 [0,1,0,0,0,0|2,0,1]=4 770 B13R1.15 CCC(=O)COc1cccc(c1)C 1458a_100000183606_100000210202 [0,1,0,0,0,0|2,0,1]=4 771 B13R1.15 CCC(=O)COc1cccc(c1)C 7a_100000210337_100000747405 [0,1,0,0,0,0|2,0,1]=4 772 B13R1.15 CCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100000210202 [0,1,0,0,0,0|2,0,1]=4 773 B13R1.15 CCC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747405 [0,1,0,0,0,0|2,0,1]=4 774 B13R1.15 CCC(=O)COc1cccc(c1)F 1458a_100000182781_100000210202 [0,1,0,0,0,0|2,0,1]=4 775 B13R1.15 CCC(=O)COc1cccc(c1)F 7a_100000210426_100000747405 [0,1,0,0,0,0|2,0,1]=4 776 B13R1.15 CCC(=O)COc1cccc(c1)I 7a_100000211634_100000747405 [0,1,0,0,0,0|2,0,1]=4 777 B13R1.15 CCC(=O)CSc1cccc(c1)Br 1458a_100000760868_100000210202 [0,1,0,0,0,0|2,0,1]=4 778 B13R1.15 CCC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747405 [0,1,0,0,0,0|2,0,1]=4 779 B13R1.15 CCC(=O)CSc1cccc(c1)Br 62a_100000747405_100000691529 [0,1,0,0,0,0|2,0,1]=4 780 B13R1.15 CCC(=O)CSc1cccc(c1)C 62a_100000747405_100011215228 [0,1,0,0,0,0|2,0,1]=4 781 B13R1.15 CCC(=O)CSc1cccc(c1)C 62a_100011215228_100000747405 [0,1,0,0,0,0|2,0,1]=4 782 B13R1.15 CCC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747405 [0,1,0,0,0,0|2,0,1]=4 783 B13R1.15 CCC(=O)CSc1cccc(c1)Cl 62a_100000747405_100000699651 [0,1,0,0,0,0|2,0,1]=4 784 B13R1.15 CCC(=O)CSc1cccc(c1)F 62a_100000685547_100000747405 [0,1,0,0,0,0|2,0,1]=4 785 B13R1.15 CCC(=O)CSc1cccc(c1)F 62a_100000747405_100000685547 [0,1,0,0,0,0|2,0,1]=4 786 B13R1.15 CCC(=O)CSc1cccc(c1)N 62a_100000210019_100000747405 [0,1,0,0,0,0|2,0,1]=4 787 B13R1.15 CCC(=O)CSc1cccc(c1)N 62a_100000747405_100000210019 [0,1,0,0,0,0|2,0,1]=4 788 B13R1.15 CCC(=O)CSc1cccc(c1)O 62a_100000747405_100000211634 [0,1,0,0,0,0|2,0,1]=4 789 B13R1.15 CCC(=O)CSc1cccc(c1)[S] 62a_100000747405_114929384022 [0,1,0,0,0,0|2,0,1]=4 790 B13R1.15 CCC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747405 [0,1,0,0,0,0|2,0,1]=4 791 B13R1.15 CCC(=O)NCc1cccc(c1)Br 11a_100000174977_100000210414 [0,1,0,0,0,0|2,0,1]=4 792 B13R1.15 CCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000210414 [0,1,0,0,0,0|2,0,1]=4 793 B13R1.15 CCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100000210414 [0,1,0,0,0,0|2,0,1]=4 794 B13R1.15 CCC(=O)NCc1cccc(c1)Br 527a_100000174977_100000210414 [0,1,0,0,0,0|2,0,1]=4 795 B13R1.15 CCC(=O)NCc1cccc(c1)C 11a_100000185548_100000210414 [0,1,0,0,0,0|2,0,1]=4 796 B13R1.15 CCC(=O)NCc1cccc(c1)C 1626a_100000185548_100000210414 [0,1,0,0,0,0|2,0,1]=4 797 B13R1.15 CCC(=O)NCc1cccc(c1)C 240690a_100000185548_100000210414 [0,1,0,0,0,0|2,0,1]=4 798 B13R1.15 CCC(=O)NCc1cccc(c1)C 527a_100000185548_100000210414 [0,1,0,0,0,0|2,0,1]=4 799 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100000210414 [0,1,0,0,0,0|2,0,1]=4 800 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000210414 [0,1,0,0,0,0|2,0,1]=4 801 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000210414 [0,1,0,0,0,0|2,0,1]=4 802 B13R1.15 CCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100000210414 [0,1,0,0,0,0|2,0,1]=4 803 B13R1.15 CCC(=O)NCc1cccc(c1)F 11a_100000174948_100000210414 [0,1,0,0,0,0|2,0,1]=4 804 B13R1.15 CCC(=O)NCc1cccc(c1)F 1626a_100000174948_100000210414 [0,1,0,0,0,0|2,0,1]=4 805 B13R1.15 CCC(=O)NCc1cccc(c1)F 240690a_100000174948_100000210414 [0,1,0,0,0,0|2,0,1]=4 806 B13R1.15 CCC(=O)NCc1cccc(c1)F 527a_100000174948_100000210414 [0,1,0,0,0,0|2,0,1]=4 807 B13R1.15 CCC(=O)NCc1cccc(c1)I 11a_100000106179_100000210414 [0,1,0,0,0,0|2,0,1]=4 808 B13R1.15 CCC(=O)NCc1cccc(c1)I 1626a_100000106179_100000210414 [0,1,0,0,0,0|2,0,1]=4 809 B13R1.15 CCC(=O)NCc1cccc(c1)I 240690a_100000106179_100000210414 [0,1,0,0,0,0|2,0,1]=4 810 B13R1.15 CCC(=O)NCc1cccc(c1)I 527a_100000106179_100000210414 [0,1,0,0,0,0|2,0,1]=4 811 B13R1.15 CCC(=O)NCc1cccc(c1)O 240690a_100000743036_100000210414 [0,1,0,0,0,0|2,0,1]=4 812 B13R1.15 CCC(=O)NCc1cccc(c1)O 271570a_203496583355_200011236840 [0,1,0,0,0,0|2,0,1]=4 813 B13R1.15 CCC(=O)NCc1cccc(c1)O 527a_100000743036_100000210414 [0,1,0,0,0,0|2,0,1]=4 814 B13R1.15 CCC(=O)NNc1cccc(c1)Br 22a_100000217339_100000210414 [0,1,0,0,0,0|3,0,0]=4 815 B13R1.15 CCC(=O)NNc1cccc(c1)C 22a_100000681630_100000210414 [0,1,0,0,0,0|3,0,0]=4 816 B13R1.15 CCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000210414 [0,1,0,0,0,0|3,0,0]=4 817 B13R1.15 CCC(=O)NNc1cccc(c1)F 22a_100000745080_100000210414 [0,1,0,0,0,0|3,0,0]=4 818 B13R1.15 CCC(=O)NNc1cccc(c1)I 22a_100020605690_100000210414 [0,1,0,0,0,0|3,0,0]=4 819 B13R1.15 CNC(=O)C#Cc1cccc(c1)C 240690a_100102657272_100011892726 [0,1,0,0,0,0|1,0,2]=4 820 B13R1.15 CNC(=O)C#Cc1cccc(c1)Cl 240690a_100102657272_100011892777 [0,1,0,0,0,0|1,0,2]=4 821 B13R1.15 CNC(=O)C#Cc1cccc(c1)F 240690a_100102657272_100011892744 [0,1,0,0,0,0|1,0,2]=4 822 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 11a_106832991635_100016258244 [0,1,0,0,0,0|1,0,0]=2 823 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 1626a_100102657272_100016258244 [0,1,0,0,0,0|1,0,0]=2 824 B13R1.15 CNC(=O)C=Cc1cccc(c1)Br 240690a_100102657272_100016258244 [0,1,0,0,0,0|1,0,0]=2 825 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 11a_106832991635_100000690095 [0,1,0,0,0,0|1,0,0]=2 826 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 1626a_100102657272_100000690095 [0,1,0,0,0,0|1,0,0]=2 827 B13R1.15 CNC(=O)C=Cc1cccc(c1)C 240690a_100102657272_100000690095 [0,1,0,0,0,0|1,0,0]=2 828 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 11a_106832991635_100000184502 [0,1,0,0,0,0|1,0,0]=2 829 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 1626a_100102657272_100000184502 [0,1,0,0,0,0|1,0,0]=2 830 B13R1.15 CNC(=O)C=Cc1cccc(c1)Cl 240690a_100102657272_100000184502 [0,1,0,0,0,0|1,0,0]=2 831 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 11a_106832991635_100000718793 [0,1,0,0,0,0|1,0,0]=2 832 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 1626a_100102657272_100000718793 [0,1,0,0,0,0|1,0,0]=2 833 B13R1.15 CNC(=O)C=Cc1cccc(c1)F 240690a_100102657272_100000718793 [0,1,0,0,0,0|1,0,0]=2 834 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 11a_106832991635_100020647043 [0,1,0,0,0,0|1,0,0]=2 835 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 1626a_100102657272_100020647043 [0,1,0,0,0,0|1,0,0]=2 836 B13R1.15 CNC(=O)C=Cc1cccc(c1)I 240690a_100102657272_100020647043 [0,1,0,0,0,0|1,0,0]=2 837 B13R1.15 CNC(=O)CCc1cccc(c1)Br 11a_106832991635_100000184314 [0,1,0,0,0,0|1,0,2]=4 838 B13R1.15 CNC(=O)CCc1cccc(c1)Br 1626a_100102657272_100000184314 [0,1,0,0,0,0|1,0,2]=4 839 B13R1.15 CNC(=O)CCc1cccc(c1)Br 240690a_100102657272_100000184314 [0,1,0,0,0,0|1,0,2]=4 840 B13R1.15 CNC(=O)CCc1cccc(c1)Br 527a_100102657272_100000184314 [0,1,0,0,0,0|1,0,2]=4 841 B13R1.15 CNC(=O)CCc1cccc(c1)C 11a_106832991635_100000234952 [0,1,0,0,0,0|1,0,2]=4 842 B13R1.15 CNC(=O)CCc1cccc(c1)C 1626a_100102657272_100000234952 [0,1,0,0,0,0|1,0,2]=4 843 B13R1.15 CNC(=O)CCc1cccc(c1)C 240690a_100102657272_100000234952 [0,1,0,0,0,0|1,0,2]=4 844 B13R1.15 CNC(=O)CCc1cccc(c1)C 527a_100102657272_100000234952 [0,1,0,0,0,0|1,0,2]=4 845 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 11a_106832991635_100000235675 [0,1,0,0,0,0|1,0,2]=4 846 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 1626a_100102657272_100000235675 [0,1,0,0,0,0|1,0,2]=4 847 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 240690a_100102657272_100000235675 [0,1,0,0,0,0|1,0,2]=4 848 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 527a_100102657272_100000235675 [0,1,0,0,0,0|1,0,2]=4 849 B13R1.15 CNC(=O)CCc1cccc(c1)F 11a_106832991635_100000235673 [0,1,0,0,0,0|1,0,2]=4 850 B13R1.15 CNC(=O)CCc1cccc(c1)F 1626a_100102657272_100000235673 [0,1,0,0,0,0|1,0,2]=4 851 B13R1.15 CNC(=O)CCc1cccc(c1)F 240690a_100102657272_100000235673 [0,1,0,0,0,0|1,0,2]=4 852 B13R1.15 CNC(=O)CCc1cccc(c1)F 527a_100102657272_100000235673 [0,1,0,0,0,0|1,0,2]=4 853 B13R1.15 CNC(=O)CCc1cccc(c1)I 11a_106832991635_100010007846 [0,1,0,0,0,0|1,0,2]=4 854 B13R1.15 CNC(=O)CCc1cccc(c1)I 1626a_100102657272_100010007846 [0,1,0,0,0,0|1,0,2]=4 855 B13R1.15 CNC(=O)CCc1cccc(c1)I 240690a_100102657272_100010007846 [0,1,0,0,0,0|1,0,2]=4 856 B13R1.15 CNC(=O)CCc1cccc(c1)I 527a_100102657272_100010007846 [0,1,0,0,0,0|1,0,2]=4 857 B13R1.15 CNC(=O)CCc1cccc(c1)O 240690a_100102657272_100011216126 [0,1,0,0,0,0|1,0,2]=4 858 B13R1.15 CNC(=O)CCc1cccc(c1)O 527a_100102657272_100011216126 [0,1,0,0,0,0|1,0,2]=4 859 B13R1.15 CNC(=O)CNc1cccc(c1)Br 34a_100000210019_100000183359 [0,1,0,0,0,0|2,0,1]=4 860 B13R1.15 CNC(=O)CNc1cccc(c1)C 2230a_100000188690_100000183359 [0,1,0,0,0,0|2,0,1]=4 861 B13R1.15 CNC(=O)CNc1cccc(c1)C 34a_100000188690_100000183359 [0,1,0,0,0,0|2,0,1]=4 862 B13R1.15 CNC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000183359 [0,1,0,0,0,0|2,0,1]=4 863 B13R1.15 CNC(=O)CNc1cccc(c1)F 34a_100000210047_100000183359 [0,1,0,0,0,0|2,0,1]=4 864 B13R1.15 CNC(=O)CNc1cccc(c1)I 34a_100000211102_100000183359 [0,1,0,0,0,0|2,0,1]=4 865 B13R1.15 CNC(=O)CNc1cccc(c1)O 34a_100000210217_100000183359 [0,1,0,0,0,0|2,0,1]=4 866 B13R1.15 CNC(=O)COc1cccc(c1)Br 11a_106832991635_100000182359 [0,1,0,0,0,0|2,0,1]=4 867 B13R1.15 CNC(=O)COc1cccc(c1)Br 1626a_100102657272_100000182359 [0,1,0,0,0,0|2,0,1]=4 868 B13R1.15 CNC(=O)COc1cccc(c1)Br 240690a_100102657272_100000182359 [0,1,0,0,0,0|2,0,1]=4 869 B13R1.15 CNC(=O)COc1cccc(c1)Br 34a_100000210342_100000183359 [0,1,0,0,0,0|2,0,1]=4 870 B13R1.15 CNC(=O)COc1cccc(c1)Br 527a_100102657272_100000182359 [0,1,0,0,0,0|2,0,1]=4 871 B13R1.15 CNC(=O)COc1cccc(c1)Br 7a_100000210342_100000183359 [0,1,0,0,0,0|2,0,1]=4 872 B13R1.15 CNC(=O)COc1cccc(c1)C 11a_106832991635_100000183606 [0,1,0,0,0,0|2,0,1]=4 873 B13R1.15 CNC(=O)COc1cccc(c1)C 1626a_100102657272_100000183606 [0,1,0,0,0,0|2,0,1]=4 874 B13R1.15 CNC(=O)COc1cccc(c1)C 240690a_100102657272_100000183606 [0,1,0,0,0,0|2,0,1]=4 875 B13R1.15 CNC(=O)COc1cccc(c1)C 34a_100000210337_100000183359 [0,1,0,0,0,0|2,0,1]=4 876 B13R1.15 CNC(=O)COc1cccc(c1)C 527a_100102657272_100000183606 [0,1,0,0,0,0|2,0,1]=4 877 B13R1.15 CNC(=O)COc1cccc(c1)C 7a_100000210337_100000183359 [0,1,0,0,0,0|2,0,1]=4 878 B13R1.15 CNC(=O)COc1cccc(c1)Cl 11a_106832991635_100000184978 [0,1,0,0,0,0|2,0,1]=4 879 B13R1.15 CNC(=O)COc1cccc(c1)Cl 1626a_100102657272_100000184978 [0,1,0,0,0,0|2,0,1]=4 880 B13R1.15 CNC(=O)COc1cccc(c1)Cl 240690a_100102657272_100000184978 [0,1,0,0,0,0|2,0,1]=4 881 B13R1.15 CNC(=O)COc1cccc(c1)Cl 34a_100000210295_100000183359 [0,1,0,0,0,0|2,0,1]=4 882 B13R1.15 CNC(=O)COc1cccc(c1)Cl 527a_100102657272_100000184978 [0,1,0,0,0,0|2,0,1]=4 883 B13R1.15 CNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000183359 [0,1,0,0,0,0|2,0,1]=4 884 B13R1.15 CNC(=O)COc1cccc(c1)F 11a_106832991635_100000182781 [0,1,0,0,0,0|2,0,1]=4 885 B13R1.15 CNC(=O)COc1cccc(c1)F 1626a_100102657272_100000182781 [0,1,0,0,0,0|2,0,1]=4 886 B13R1.15 CNC(=O)COc1cccc(c1)F 240690a_100102657272_100000182781 [0,1,0,0,0,0|2,0,1]=4 887 B13R1.15 CNC(=O)COc1cccc(c1)F 34a_100000210426_100000183359 [0,1,0,0,0,0|2,0,1]=4 888 B13R1.15 CNC(=O)COc1cccc(c1)F 527a_100102657272_100000182781 [0,1,0,0,0,0|2,0,1]=4 889 B13R1.15 CNC(=O)COc1cccc(c1)F 7a_100000210426_100000183359 [0,1,0,0,0,0|2,0,1]=4 890 B13R1.15 CNC(=O)COc1cccc(c1)I 34a_100000211634_100000183359 [0,1,0,0,0,0|2,0,1]=4 891 B13R1.15 CNC(=O)COc1cccc(c1)I 7a_100000211634_100000183359 [0,1,0,0,0,0|2,0,1]=4 892 B13R1.15 CNC(=O)COc1cccc(c1)N 34a_100000210217_100000183359 [0,1,0,0,0,0|2,0,1]=4 893 B13R1.15 CNC(=O)COc1cccc(c1)O 271570a_203496583355_200000150594 [0,1,0,0,0,0|2,0,1]=4 894 B13R1.15 CNC(=O)CSc1cccc(c1)Br 11a_106832991635_100000760868 [0,1,0,0,0,0|2,0,1]=4 895 B13R1.15 CNC(=O)CSc1cccc(c1)Br 1626a_100102657272_100000760868 [0,1,0,0,0,0|2,0,1]=4 896 B13R1.15 CNC(=O)CSc1cccc(c1)Br 240690a_100102657272_100000760868 [0,1,0,0,0,0|2,0,1]=4 897 B13R1.15 CNC(=O)CSc1cccc(c1)Br 527a_100102657272_100000760868 [0,1,0,0,0,0|2,0,1]=4 898 B13R1.15 CNC(=O)CSc1cccc(c1)Br 62a_100000183359_100000691529 [0,1,0,0,0,0|2,0,1]=4 899 B13R1.15 CNC(=O)CSc1cccc(c1)Br 62a_100000691529_100000183359 [0,1,0,0,0,0|2,0,1]=4 900 B13R1.15 CNC(=O)CSc1cccc(c1)C 62a_100000183359_100011215228 [0,1,0,0,0,0|2,0,1]=4 901 B13R1.15 CNC(=O)CSc1cccc(c1)C 62a_100011215228_100000183359 [0,1,0,0,0,0|2,0,1]=4 902 B13R1.15 CNC(=O)CSc1cccc(c1)Cl 62a_100000183359_100000699651 [0,1,0,0,0,0|2,0,1]=4 903 B13R1.15 CNC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000183359 [0,1,0,0,0,0|2,0,1]=4 904 B13R1.15 CNC(=O)CSc1cccc(c1)F 62a_100000183359_100000685547 [0,1,0,0,0,0|2,0,1]=4 905 B13R1.15 CNC(=O)CSc1cccc(c1)F 62a_100000685547_100000183359 [0,1,0,0,0,0|2,0,1]=4 906 B13R1.15 CNC(=O)CSc1cccc(c1)N 62a_100000183359_100000210019 [0,1,0,0,0,0|2,0,1]=4 907 B13R1.15 CNC(=O)CSc1cccc(c1)N 62a_100000210019_100000183359 [0,1,0,0,0,0|2,0,1]=4 908 B13R1.15 CNC(=O)CSc1cccc(c1)O 62a_100000183359_100000211634 [0,1,0,0,0,0|2,0,1]=4 909 B13R1.15 CNC(=O)CSc1cccc(c1)[S] 62a_100000183359_114929384022 [0,1,0,0,0,0|2,0,1]=4 910 B13R1.15 CNC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000183359 [0,1,0,0,0,0|2,0,1]=4 911 B13R1.15 CNC(=O)NCc1cccc(c1)Br 2708a_100000174977_106832991635 [0,1,0,0,0,0|2,0,1]=4 912 B13R1.15 CNC(=O)NCc1cccc(c1)Br 2708a_100102657272_100000174977 [0,1,0,0,0,0|2,0,1]=4 913 B13R1.15 CNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100102657272 [0,1,0,0,0,0|2,0,1]=4 914 B13R1.15 CNC(=O)NCc1cccc(c1)Br 273464a_100102657272_100000174977 [0,1,0,0,0,0|2,0,1]=4 915 B13R1.15 CNC(=O)NCc1cccc(c1)Br 512a_100000174977_100102657272 [0,1,0,0,0,0|2,0,1]=4 916 B13R1.15 CNC(=O)NCc1cccc(c1)Br 512a_106832991638_100000174977 [0,1,0,0,0,0|2,0,1]=4 917 B13R1.15 CNC(=O)NCc1cccc(c1)C 2708a_100000185548_106832991635 [0,1,0,0,0,0|2,0,1]=4 918 B13R1.15 CNC(=O)NCc1cccc(c1)C 2708a_100102657272_100000185548 [0,1,0,0,0,0|2,0,1]=4 919 B13R1.15 CNC(=O)NCc1cccc(c1)C 273464a_100000185548_100102657272 [0,1,0,0,0,0|2,0,1]=4 920 B13R1.15 CNC(=O)NCc1cccc(c1)C 273464a_100102657272_100000185548 [0,1,0,0,0,0|2,0,1]=4 921 B13R1.15 CNC(=O)NCc1cccc(c1)C 512a_100000185548_100102657272 [0,1,0,0,0,0|2,0,1]=4 922 B13R1.15 CNC(=O)NCc1cccc(c1)C 512a_106832991638_100000185548 [0,1,0,0,0,0|2,0,1]=4 923 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_106832991635 [0,1,0,0,0,0|2,0,1]=4 924 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 2708a_100102657272_100000174878 [0,1,0,0,0,0|2,0,1]=4 925 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100102657272 [0,1,0,0,0,0|2,0,1]=4 926 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 273464a_100102657272_100000174878 [0,1,0,0,0,0|2,0,1]=4 927 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 512a_100000174878_100102657272 [0,1,0,0,0,0|2,0,1]=4 928 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 512a_106832991638_100000174878 [0,1,0,0,0,0|2,0,1]=4 929 B13R1.15 CNC(=O)NCc1cccc(c1)F 2708a_100000174948_106832991635 [0,1,0,0,0,0|2,0,1]=4 930 B13R1.15 CNC(=O)NCc1cccc(c1)F 2708a_100102657272_100000174948 [0,1,0,0,0,0|2,0,1]=4 931 B13R1.15 CNC(=O)NCc1cccc(c1)F 273464a_100000174948_100102657272 [0,1,0,0,0,0|2,0,1]=4 932 B13R1.15 CNC(=O)NCc1cccc(c1)F 273464a_100102657272_100000174948 [0,1,0,0,0,0|2,0,1]=4 933 B13R1.15 CNC(=O)NCc1cccc(c1)F 512a_100000174948_100102657272 [0,1,0,0,0,0|2,0,1]=4 934 B13R1.15 CNC(=O)NCc1cccc(c1)F 512a_106832991638_100000174948 [0,1,0,0,0,0|2,0,1]=4 935 B13R1.15 CNC(=O)NCc1cccc(c1)I 2708a_100000106179_106832991635 [0,1,0,0,0,0|2,0,1]=4 936 B13R1.15 CNC(=O)NCc1cccc(c1)I 2708a_100102657272_100000106179 [0,1,0,0,0,0|2,0,1]=4 937 B13R1.15 CNC(=O)NCc1cccc(c1)I 273464a_100000106179_100102657272 [0,1,0,0,0,0|2,0,1]=4 938 B13R1.15 CNC(=O)NCc1cccc(c1)I 273464a_100102657272_100000106179 [0,1,0,0,0,0|2,0,1]=4 939 B13R1.15 CNC(=O)NCc1cccc(c1)I 512a_100000106179_100102657272 [0,1,0,0,0,0|2,0,1]=4 940 B13R1.15 CNC(=O)NCc1cccc(c1)I 512a_106832991638_100000106179 [0,1,0,0,0,0|2,0,1]=4 941 B13R1.15 CNC(=O)NCc1cccc(c1)O 2708a_100000743036_106832991635 [0,1,0,0,0,0|2,0,1]=4 942 B13R1.15 CNC(=O)NCc1cccc(c1)O 2708a_100102657272_100000743036 [0,1,0,0,0,0|2,0,1]=4 943 B13R1.15 CNC(=O)NCc1cccc(c1)O 273464a_100000743036_100102657272 [0,1,0,0,0,0|2,0,1]=4 944 B13R1.15 CNC(=O)NCc1cccc(c1)O 273464a_100102657272_100000743036 [0,1,0,0,0,0|2,0,1]=4 945 B13R1.15 CNC(=O)NCc1cccc(c1)O 512a_100000743036_100102657272 [0,1,0,0,0,0|2,0,1]=4 946 B13R1.15 CNC(=O)NCc1cccc(c1)O 512a_106832991638_100000743036 [0,1,0,0,0,0|2,0,1]=4 947 B13R1.15 CNC(=O)NNc1cccc(c1)Br 273464a_100102657272_100000217339 [0,1,0,0,0,0|3,0,0]=4 948 B13R1.15 CNC(=O)NNc1cccc(c1)Br 512a_100000217339_100102657272 [0,1,0,0,0,0|3,0,0]=4 949 B13R1.15 CNC(=O)NNc1cccc(c1)Br 512a_106832991638_100000217339 [0,1,0,0,0,0|3,0,0]=4 950 B13R1.15 CNC(=O)NNc1cccc(c1)C 273464a_100102657272_100000681630 [0,1,0,0,0,0|3,0,0]=4 951 B13R1.15 CNC(=O)NNc1cccc(c1)C 512a_100000681630_100102657272 [0,1,0,0,0,0|3,0,0]=4 952 B13R1.15 CNC(=O)NNc1cccc(c1)C 512a_106832991638_100000681630 [0,1,0,0,0,0|3,0,0]=4 953 B13R1.15 CNC(=O)NNc1cccc(c1)Cl 273464a_100102657272_100000184277 [0,1,0,0,0,0|3,0,0]=4 954 B13R1.15 CNC(=O)NNc1cccc(c1)Cl 512a_106832991638_100000184277 [0,1,0,0,0,0|3,0,0]=4 955 B13R1.15 CNC(=O)NNc1cccc(c1)F 273464a_100102657272_100000745080 [0,1,0,0,0,0|3,0,0]=4 956 B13R1.15 CNC(=O)NNc1cccc(c1)F 512a_100000745080_100102657272 [0,1,0,0,0,0|3,0,0]=4 957 B13R1.15 CNC(=O)NNc1cccc(c1)F 512a_106832991638_100000745080 [0,1,0,0,0,0|3,0,0]=4 958 B13R1.15 CNC(=O)NNc1cccc(c1)I 273464a_100102657272_100020605690 [0,1,0,0,0,0|3,0,0]=4 959 B13R1.15 CNC(=O)NNc1cccc(c1)I 512a_100020605690_100102657272 [0,1,0,0,0,0|3,0,0]=4 960 B13R1.15 CNC(=O)NNc1cccc(c1)I 512a_106832991638_100020605690 [0,1,0,0,0,0|3,0,0]=4 961 B13R1.15 COC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_100000149372 [0,1,0,0,0,0|0,0,0]=1 962 B13R1.15 COC(=O)CCc1cccc(c1)O 271570a_203496583355_100000151591 [0,1,0,0,0,0|0,0,2]=3 963 B13R1.15 COC(=O)CNc1cccc(c1)Br 34a_100000210019_100000747449 [0,1,0,0,0,0|1,0,1]=3 964 B13R1.15 COC(=O)CNc1cccc(c1)C 2230a_100000188690_100000747449 [0,1,0,0,0,0|1,0,1]=3 965 B13R1.15 COC(=O)CNc1cccc(c1)C 34a_100000188690_100000747449 [0,1,0,0,0,0|1,0,1]=3 966 B13R1.15 COC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000747449 [0,1,0,0,0,0|1,0,1]=3 967 B13R1.15 COC(=O)CNc1cccc(c1)F 34a_100000210047_100000747449 [0,1,0,0,0,0|1,0,1]=3 968 B13R1.15 COC(=O)CNc1cccc(c1)I 34a_100000211102_100000747449 [0,1,0,0,0,0|1,0,1]=3 969 B13R1.15 COC(=O)CNc1cccc(c1)O 34a_100000210217_100000747449 [0,1,0,0,0,0|1,0,1]=3 970 B13R1.15 COC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000747449 [0,1,0,0,0,0|2,0,1]=4 971 B13R1.15 COC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000747449 [0,1,0,0,0,0|2,0,1]=4 972 B13R1.15 COC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000747449 [0,1,0,0,0,0|2,0,1]=4 973 B13R1.15 COC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000747449 [0,1,0,0,0,0|2,0,1]=4 974 B13R1.15 COC(=O)COc1cccc(c1)Br 34a_100000210342_100000747449 [0,1,0,0,0,0|1,0,1]=3 975 B13R1.15 COC(=O)COc1cccc(c1)Br 7a_100000210342_100000747449 [0,1,0,0,0,0|1,0,1]=3 976 B13R1.15 COC(=O)COc1cccc(c1)C 34a_100000210337_100000747449 [0,1,0,0,0,0|1,0,1]=3 977 B13R1.15 COC(=O)COc1cccc(c1)C 7a_100000210337_100000747449 [0,1,0,0,0,0|1,0,1]=3 978 B13R1.15 COC(=O)COc1cccc(c1)Cl 34a_100000210295_100000747449 [0,1,0,0,0,0|1,0,1]=3 979 B13R1.15 COC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747449 [0,1,0,0,0,0|1,0,1]=3 980 B13R1.15 COC(=O)COc1cccc(c1)F 34a_100000210426_100000747449 [0,1,0,0,0,0|1,0,1]=3 981 B13R1.15 COC(=O)COc1cccc(c1)F 7a_100000210426_100000747449 [0,1,0,0,0,0|1,0,1]=3 982 B13R1.15 COC(=O)COc1cccc(c1)I 34a_100000211634_100000747449 [0,1,0,0,0,0|1,0,1]=3 983 B13R1.15 COC(=O)COc1cccc(c1)I 7a_100000211634_100000747449 [0,1,0,0,0,0|1,0,1]=3 984 B13R1.15 COC(=O)COc1cccc(c1)N 34a_100000210217_100000747449 [0,1,0,0,0,0|1,0,1]=3 985 B13R1.15 COC(=O)COc1cccc(c1)O 271570a_203496583355_200000148702 [0,1,0,0,0,0|1,0,1]=3 986 B13R1.15 COC(=O)COc1cccc(n1)F 34a_100011432558_100000747449 [0,1,0,0,0,0|2,0,1]=4 987 B13R1.15 COC(=O)COc1ccnc(c1)C 34a_100000688365_100000747449 [0,1,0,0,0,0|2,0,1]=4 988 B13R1.15 COC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000747449 [0,1,0,0,0,0|2,0,1]=4 989 B13R1.15 COC(=O)COc1ccnc(c1)F 34a_100000732698_100000747449 [0,1,0,0,0,0|2,0,1]=4 990 B13R1.15 COC(=O)COc1ccnc(c1)N 34a_100011834064_100000747449 [0,1,0,0,0,0|2,0,1]=4 991 B13R1.15 COC(=O)COc1cncc(c1)Br 34a_100000754920_100000747449 [0,1,0,0,0,0|2,0,1]=4 992 B13R1.15 COC(=O)COc1cncc(c1)Br 7a_100000754920_100000747449 [0,1,0,0,0,0|2,0,1]=4 993 B13R1.15 COC(=O)COc1cncc(c1)C 34a_100011830280_100000747449 [0,1,0,0,0,0|2,0,1]=4 994 B13R1.15 COC(=O)COc1cncc(c1)C 7a_100011830280_100000747449 [0,1,0,0,0,0|2,0,1]=4 995 B13R1.15 COC(=O)COc1cncc(c1)Cl 7a_100000032511_100000747449 [0,1,0,0,0,0|2,0,1]=4 996 B13R1.15 COC(=O)COc1cncc(c1)F 34a_100011830296_100000747449 [0,1,0,0,0,0|2,0,1]=4 997 B13R1.15 COC(=O)COc1cncc(c1)F 7a_100011830296_100000747449 [0,1,0,0,0,0|2,0,1]=4 998 B13R1.15 COC(=O)COc1cncc(c1)N 34a_100011997051_100000747449 [0,1,0,0,0,0|2,0,1]=4 999 B13R1.15 COC(=O)CSc1cc(=O)cc[nH]1 62a_100009817434_100000747449 [0,1,0,0,0,0|2,0,1]=4 1000 B13R1.15 COC(=O)CSc1cc(ccn1)C 62a_100000747449_100000750283 [0,1,0,0,0,0|2,0,1]=4 1001 B13R1.15 COC(=O)CSc1cc(ccn1)C 62a_100000750283_100000747449 [0,1,0,0,0,0|2,0,1]=4 1002 B13R1.15 COC(=O)CSc1cc(ccn1)Cl 62a_100000747449_100010167805 [0,1,0,0,0,0|2,0,1]=4 1003 B13R1.15 COC(=O)CSc1cc(ccn1)Cl 62a_100010167805_100000747449 [0,1,0,0,0,0|2,0,1]=4 1004 B13R1.15 COC(=O)CSc1cc(ccn1)F 62a_100000747449_100000764206 [0,1,0,0,0,0|2,0,1]=4 1005 B13R1.15 COC(=O)CSc1cc(ccn1)F 62a_100000764206_100000747449 [0,1,0,0,0,0|2,0,1]=4 1006 B13R1.15 COC(=O)CSc1cc(ccn1)N 62a_100000747449_100009814236 [0,1,0,0,0,0|2,0,1]=4 1007 B13R1.15 COC(=O)CSc1cc(ccn1)N 62a_100009814236_100000747449 [0,1,0,0,0,0|2,0,1]=4 1008 B13R1.15 COC(=O)CSc1cc(ccn1)O 62a_100000747449_100000762945 [0,1,0,0,0,0|2,0,1]=4 1009 B13R1.15 COC(=O)CSc1cc[nH]c(=O)c1 62a_100000747449_100009816521 [0,1,0,0,0,0|2,0,1]=4 1010 B13R1.15 COC(=O)CSc1cc[nH]c(=O)c1 62a_100009816521_100000747449 [0,1,0,0,0,0|2,0,1]=4 1011 B13R1.15 COC(=O)CSc1ccc[n+](c1)C 62a_100000747449_100009996589 [0,1,0,0,0,0|2,0,1]=4 1012 B13R1.15 COC(=O)CSc1ccc[n+](c1)C 62a_100009996589_100000747449 [0,1,0,0,0,0|2,0,1]=4 1013 B13R1.15 COC(=O)CSc1ccc[n+](c1)[O-] 62a_100000747449_100009815978 [0,1,0,0,0,0|2,0,1]=4 1014 B13R1.15 COC(=O)CSc1cccc(=O)[nH]1 62a_100000747449_100000752884 [0,1,0,0,0,0|2,0,1]=4 1015 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747449 [0,1,0,0,0,0|1,0,1]=3 1016 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000747449_100000691529 [0,1,0,0,0,0|1,0,1]=3 1017 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100000747449_100011215228 [0,1,0,0,0,0|1,0,1]=3 1018 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100011215228_100000747449 [0,1,0,0,0,0|1,0,1]=3 1019 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747449 [0,1,0,0,0,0|1,0,1]=3 1020 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000747449_100000699651 [0,1,0,0,0,0|1,0,1]=3 1021 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000685547_100000747449 [0,1,0,0,0,0|1,0,1]=3 1022 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000747449_100000685547 [0,1,0,0,0,0|1,0,1]=3 1023 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000210019_100000747449 [0,1,0,0,0,0|1,0,1]=3 1024 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000747449_100000210019 [0,1,0,0,0,0|1,0,1]=3 1025 B13R1.15 COC(=O)CSc1cccc(c1)O 271570a_203496583355_100011756034 [0,1,0,0,0,0|1,0,1]=3 1026 B13R1.15 COC(=O)CSc1cccc(c1)O 62a_100000747449_100000211634 [0,1,0,0,0,0|1,0,1]=3 1027 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_100000747449_114929384022 [0,1,0,0,0,0|1,0,1]=3 1028 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747449 [0,1,0,0,0,0|1,0,1]=3 1029 B13R1.15 COC(=O)CSc1cccc(n1)Br 62a_100000684672_100000747449 [0,1,0,0,0,0|2,0,1]=4 1030 B13R1.15 COC(=O)CSc1cccc(n1)Br 62a_100000747449_100000684672 [0,1,0,0,0,0|2,0,1]=4 1031 B13R1.15 COC(=O)CSc1cccc(n1)C 62a_100000742759_100000747449 [0,1,0,0,0,0|2,0,1]=4 1032 B13R1.15 COC(=O)CSc1cccc(n1)C 62a_100000747449_100000742759 [0,1,0,0,0,0|2,0,1]=4 1033 B13R1.15 COC(=O)CSc1cccc(n1)Cl 62a_100000051397_100000747449 [0,1,0,0,0,0|2,0,1]=4 1034 B13R1.15 COC(=O)CSc1cccc(n1)Cl 62a_100000747449_100000051397 [0,1,0,0,0,0|2,0,1]=4 1035 B13R1.15 COC(=O)CSc1cccc(n1)F 62a_100000747449_100009815982 [0,1,0,0,0,0|2,0,1]=4 1036 B13R1.15 COC(=O)CSc1cccc(n1)F 62a_100009815982_100000747449 [0,1,0,0,0,0|2,0,1]=4 1037 B13R1.15 COC(=O)CSc1cccc(n1)N 62a_100000740741_100000747449 [0,1,0,0,0,0|2,0,1]=4 1038 B13R1.15 COC(=O)CSc1cccc(n1)N 62a_100000747449_100000740741 [0,1,0,0,0,0|2,0,1]=4 1039 B13R1.15 COC(=O)CSc1ccnc(c1)Br 62a_100000747449_100009814637 [0,1,0,0,0,0|2,0,1]=4 1040 B13R1.15 COC(=O)CSc1ccnc(c1)Br 62a_100009814637_100000747449 [0,1,0,0,0,0|2,0,1]=4 1041 B13R1.15 COC(=O)CSc1ccnc(c1)C 62a_100000747449_100000758586 [0,1,0,0,0,0|2,0,1]=4 1042 B13R1.15 COC(=O)CSc1ccnc(c1)C 62a_100000758586_100000747449 [0,1,0,0,0,0|2,0,1]=4 1043 B13R1.15 COC(=O)CSc1ccnc(c1)Cl 62a_100000035001_100000747449 [0,1,0,0,0,0|2,0,1]=4 1044 B13R1.15 COC(=O)CSc1ccnc(c1)Cl 62a_100000747449_100000035001 [0,1,0,0,0,0|2,0,1]=4 1045 B13R1.15 COC(=O)CSc1ccnc(c1)F 62a_100000747449_100009816116 [0,1,0,0,0,0|2,0,1]=4 1046 B13R1.15 COC(=O)CSc1ccnc(c1)F 62a_100009816116_100000747449 [0,1,0,0,0,0|2,0,1]=4 1047 B13R1.15 COC(=O)CSc1ccnc(c1)N 62a_100000049665_100000747449 [0,1,0,0,0,0|2,0,1]=4 1048 B13R1.15 COC(=O)CSc1ccnc(c1)N 62a_100000747449_100000049665 [0,1,0,0,0,0|2,0,1]=4 1049 B13R1.15 COC(=O)CSc1cncc(c1)Br 62a_100000728054_100000747449 [0,1,0,0,0,0|2,0,1]=4 1050 B13R1.15 COC(=O)CSc1cncc(c1)Br 62a_100000747449_100000728054 [0,1,0,0,0,0|2,0,1]=4 1051 B13R1.15 COC(=O)CSc1cncc(c1)C 62a_100000747449_100000760492 [0,1,0,0,0,0|2,0,1]=4 1052 B13R1.15 COC(=O)CSc1cncc(c1)C 62a_100000760492_100000747449 [0,1,0,0,0,0|2,0,1]=4 1053 B13R1.15 COC(=O)CSc1cncc(c1)Cl 62a_100000049639_100000747449 [0,1,0,0,0,0|2,0,1]=4 1054 B13R1.15 COC(=O)CSc1cncc(c1)Cl 62a_100000747449_100000049639 [0,1,0,0,0,0|2,0,1]=4 1055 B13R1.15 COC(=O)CSc1cncc(c1)F 62a_100000744099_100000747449 [0,1,0,0,0,0|2,0,1]=4 1056 B13R1.15 COC(=O)CSc1cncc(c1)F 62a_100000747449_100000744099 [0,1,0,0,0,0|2,0,1]=4 1057 B13R1.15 COC(=O)CSc1cncc(c1)N 62a_100000687067_100000747449 [0,1,0,0,0,0|2,0,1]=4 1058 B13R1.15 COC(=O)CSc1cncc(c1)N 62a_100000747449_100000687067 [0,1,0,0,0,0|2,0,1]=4 1059 B13R1.15 COC(=O)CSc1cncc(c1)O 62a_100000747449_100000754920 [0,1,0,0,0,0|2,0,1]=4 1060 B13R1.15 COC(=O)CSc1cncc(c1)O 62a_100000754920_100000747449 [0,1,0,0,0,0|2,0,1]=4 1061 B13R1.15 Cc1cccc(c1)C=CC(=O)CF 1458a_100000690095_100015361967 [0,1,0,0,0,0|2,0,0]=3 1062 B13R1.15 Cc1cncc(c1)C=CC(=O)CBr 6a_100011998712_100009888967 [0,1,0,0,0,0|3,0,0]=4 1063 B13R1.15 Cc1cncc(c1)C=CC(=O)CCl 6a_100011998712_100000086384 [0,1,0,0,0,0|3,0,0]=4 1064 B13R1.15 Cc1cncc(c1)C=CC(=O)CF 6a_100011998712_100000764096 [0,1,0,0,0,0|3,0,0]=4 1065 B13R1.15 O=C(C=Cc1cccc(c1)Br)CBr 6a_100000210085_100009888967 [0,1,0,0,0,0|2,0,0]=3 1066 B13R1.15 O=C(C=Cc1cccc(c1)Br)CCl 6a_100000210085_100000086384 [0,1,0,0,0,0|2,0,0]=3 1067 B13R1.15 O=C(C=Cc1cccc(c1)Br)CF 1458a_100016258244_100015361967 [0,1,0,0,0,0|2,0,0]=3 1068 B13R1.15 O=C(C=Cc1cccc(c1)Br)CF 6a_100000210085_100000764096 [0,1,0,0,0,0|2,0,0]=3 1069 B13R1.15 O=C(C=Cc1cccc(c1)Cl)CF 1458a_100000184502_100015361967 [0,1,0,0,0,0|2,0,0]=3 1070 B13R1.15 O=C(C=Cc1cccc(c1)F)CBr 6a_100000210812_100009888967 [0,1,0,0,0,0|2,0,0]=3 1071 B13R1.15 O=C(C=Cc1cccc(c1)F)CCl 6a_100000210812_100000086384 [0,1,0,0,0,0|2,0,0]=3 1072 B13R1.15 O=C(C=Cc1cccc(c1)F)CF 1458a_100000718793_100015361967 [0,1,0,0,0,0|2,0,0]=3 1073 B13R1.15 O=C(C=Cc1cccc(c1)F)CF 6a_100000210812_100000764096 [0,1,0,0,0,0|2,0,0]=3 1074 B13R1.15 O=C(C=Cc1cccc(c1)I)CBr 6a_100000014684_100009888967 [0,1,0,0,0,0|2,0,0]=3 1075 B13R1.15 O=C(C=Cc1cccc(c1)I)CCl 6a_100000014684_100000086384 [0,1,0,0,0,0|2,0,0]=3 1076 B13R1.15 O=C(C=Cc1cccc(c1)I)CF 1458a_100020647043_100015361967 [0,1,0,0,0,0|2,0,0]=3 1077 B13R1.15 O=C(C=Cc1cccc(c1)I)CF 6a_100000014684_100000764096 [0,1,0,0,0,0|2,0,0]=3 1078 B13R1.15 O=C(C=Cc1cncc(c1)Br)CBr 6a_100000687066_100009888967 [0,1,0,0,0,0|3,0,0]=4 1079 B13R1.15 O=C(C=Cc1cncc(c1)Br)CCl 6a_100000687066_100000086384 [0,1,0,0,0,0|3,0,0]=4 1080 B13R1.15 O=C(C=Cc1cncc(c1)Br)CF 6a_100000687066_100000764096 [0,1,0,0,0,0|3,0,0]=4 1081 B13R1.15 O=C(C=Cc1cncc(c1)Cl)CBr 6a_100000088910_100009888967 [0,1,0,0,0,0|3,0,0]=4 1082 B13R1.15 O=C(C=Cc1cncc(c1)Cl)CCl 6a_100000088910_100000086384 [0,1,0,0,0,0|3,0,0]=4 1083 B13R1.15 O=C(C=Cc1cncc(c1)Cl)CF 6a_100000088910_100000764096 [0,1,0,0,0,0|3,0,0]=4 1084 B13R1.15 O=C(C=Cc1cncc(c1)F)CBr 6a_100011361476_100009888967 [0,1,0,0,0,0|3,0,0]=4 1085 B13R1.15 O=C(C=Cc1cncc(c1)F)CCl 6a_100011361476_100000086384 [0,1,0,0,0,0|3,0,0]=4 1086 B13R1.15 O=C(C=Cc1cncc(c1)F)CF 6a_100011361476_100000764096 [0,1,0,0,0,0|3,0,0]=4 1087 B13R1.42 C#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000184674 [0,1,0,0,0,0|1,0,1]=3 1088 B13R1.42 C#CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000184674 [0,1,0,0,0,0|2,0,1]=4 1089 B13R1.42 C#CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000184674 [0,1,0,0,0,0|2,0,1]=4 1090 B13R1.42 C#CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000184674 [0,1,0,0,0,0|2,0,1]=4 1091 B13R1.42 C=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210623 [0,1,0,0,0,0|1,0,1]=3 1092 B13R1.42 C=CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210623 [0,1,0,0,0,0|2,0,1]=4 1093 B13R1.42 C=CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210623 [0,1,0,0,0,0|2,0,1]=4 1094 B13R1.42 C=CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210623 [0,1,0,0,0,0|2,0,1]=4 1095 B13R1.42 C=COC(=O)CNc1ccccc1 34a_100000106764_100000036128 [0,1,0,0,0,0|1,0,2]=4 1096 B13R1.42 C=COC(=O)COc1ccccc1 34a_100000210340_100000036128 [0,1,0,0,0,0|1,0,2]=4 1097 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000036128_100000041952 [0,1,0,0,0,0|1,0,2]=4 1098 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000719477_100000036128 [0,1,0,0,0,0|1,0,2]=4 1099 B13R1.42 CC#CC(=O)CCc1ccccc1 1458a_100000763181_100000765856 [0,1,0,0,0,0|1,0,2]=4 1100 B13R1.42 CC#CC(=O)NNc1ccccc1 22a_100015195140_100000763181 [0,1,0,0,0,0|3,0,0]=4 1101 B13R1.42 CC=CC(=O)CCc1ccccc1 1458a_100000210699_100000765856 [0,1,0,0,0,0|1,0,2]=4 1102 B13R1.42 CC=CC(=O)NCc1ccccc1 11a_100015324214_100000210699 [0,1,0,0,0,0|2,0,1]=4 1103 B13R1.42 CC=CC(=O)NCc1ccccc1 1626a_100015324214_100000210699 [0,1,0,0,0,0|2,0,1]=4 1104 B13R1.42 CC=CC(=O)NCc1ccccc1 240690a_100015324214_100000210699 [0,1,0,0,0,0|2,0,1]=4 1105 B13R1.42 CC=CC(=O)NNc1ccccc1 22a_100015195140_100000210699 [0,1,0,0,0,0|3,0,0]=4 1106 B13R1.42 CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210303 [0,1,0,0,0,0|1,0,2]=4 1107 B13R1.42 CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210303 [0,1,0,0,0,0|1,0,0]=2 1108 B13R1.42 CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210303 [0,1,0,0,0,0|2,0,0]=3 1109 B13R1.42 CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210303 [0,1,0,0,0,0|2,0,0]=3 1110 B13R1.42 CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210303 [0,1,0,0,0,0|2,0,0]=3 1111 B13R1.42 CCCC(=O)C=Cc1cncnc1 6a_100000749868_100011215381 [0,1,0,0,0,0|3,0,0]=4 1112 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [0,1,0,0,0,0|1,0,2]=4 1113 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [0,1,0,0,0,0|1,0,2]=4 1114 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [0,1,0,0,0,0|2,0,1]=4 1115 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [0,1,0,0,0,0|2,0,1]=4 1116 B13R1.42 CCCC(=O)CSc1ccccc1 1458a_100000211596_100000210303 [0,1,0,0,0,0|2,0,1]=4 1117 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000719477_100000747444 [0,1,0,0,0,0|2,0,1]=4 1118 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000747444_100000041952 [0,1,0,0,0,0|2,0,1]=4 1119 B13R1.42 CCCC(=O)NCc1ccccc1 11a_100015324214_100000211992 [0,1,0,0,0,0|2,0,1]=4 1120 B13R1.42 CCCC(=O)NCc1ccccc1 1626a_100015324214_100000211992 [0,1,0,0,0,0|2,0,1]=4 1121 B13R1.42 CCCC(=O)NCc1ccccc1 240690a_100015324214_100000211992 [0,1,0,0,0,0|2,0,1]=4 1122 B13R1.42 CCCC(=O)NCc1ccccc1 527a_100015324214_100000211992 [0,1,0,0,0,0|2,0,1]=4 1123 B13R1.42 CCCC(=O)NNc1ccccc1 22a_100015195140_100000211992 [0,1,0,0,0,0|3,0,0]=4 1124 B13R1.42 CCNC(=O)C#Cc1ccccc1 240690a_100015525214_100000736102 [0,1,0,0,0,0|1,0,2]=4 1125 B13R1.42 CCNC(=O)C=Cc1ccccc1 11a_100015525214_100000210462 [0,1,0,0,0,0|1,0,0]=2 1126 B13R1.42 CCNC(=O)C=Cc1ccccn1 11a_100015525214_100000740811 [0,1,0,0,0,0|2,0,0]=3 1127 B13R1.42 CCNC(=O)C=Cc1ccccn1 240690a_100015525214_100000740811 [0,1,0,0,0,0|2,0,0]=3 1128 B13R1.42 CCNC(=O)C=Cc1cccnc1 11a_100015525214_100000735890 [0,1,0,0,0,0|2,0,0]=3 1129 B13R1.42 CCNC(=O)C=Cc1cccnc1 240690a_100015525214_100000735890 [0,1,0,0,0,0|2,0,0]=3 1130 B13R1.42 CCNC(=O)C=Cc1ccncc1 240690a_100015525214_100000682801 [0,1,0,0,0,0|2,0,0]=3 1131 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [0,1,0,0,0,0|1,0,2]=4 1132 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [0,1,0,0,0,0|1,0,2]=4 1133 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [0,1,0,0,0,0|1,0,2]=4 1134 B13R1.42 CCNC(=O)CNc1ccccc1 34a_100000106764_100000183381 [0,1,0,0,0,0|2,0,1]=4 1135 B13R1.42 CCNC(=O)COc1ccccc1 11a_100015525214_100000186222 [0,1,0,0,0,0|2,0,1]=4 1136 B13R1.42 CCNC(=O)COc1ccccc1 240690a_100015525214_100000186222 [0,1,0,0,0,0|2,0,1]=4 1137 B13R1.42 CCNC(=O)COc1ccccc1 34a_100000210340_100000183381 [0,1,0,0,0,0|2,0,1]=4 1138 B13R1.42 CCNC(=O)COc1ccccc1 527a_100015525214_100000186222 [0,1,0,0,0,0|2,0,1]=4 1139 B13R1.42 CCNC(=O)COc1ccccc1 7a_100000210340_100000183381 [0,1,0,0,0,0|2,0,1]=4 1140 B13R1.42 CCNC(=O)CSc1ccccc1 11a_100015525214_100000211596 [0,1,0,0,0,0|2,0,1]=4 1141 B13R1.42 CCNC(=O)CSc1ccccc1 240690a_100015525214_100000211596 [0,1,0,0,0,0|2,0,1]=4 1142 B13R1.42 CCNC(=O)CSc1ccccc1 527a_100015525214_100000211596 [0,1,0,0,0,0|2,0,1]=4 1143 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000183381_100000041952 [0,1,0,0,0,0|2,0,1]=4 1144 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000719477_100000183381 [0,1,0,0,0,0|2,0,1]=4 1145 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015324214_100015525214 [0,1,0,0,0,0|2,0,1]=4 1146 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015525214_100015324214 [0,1,0,0,0,0|2,0,1]=4 1147 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015324214_100015525214 [0,1,0,0,0,0|2,0,1]=4 1148 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015525214_100015324214 [0,1,0,0,0,0|2,0,1]=4 1149 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015324214_100015525214 [0,1,0,0,0,0|2,0,1]=4 1150 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015525214_100015324214 [0,1,0,0,0,0|2,0,1]=4 1151 B13R1.42 CCNC(=O)NNc1ccccc1 273464a_100015525214_100015195140 [0,1,0,0,0,0|3,0,0]=4 1152 B13R1.42 CCNC(=O)NNc1ccccc1 512a_100015525214_100015195140 [0,1,0,0,0,0|3,0,0]=4 1153 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [0,1,0,0,0,0|0,0,0]=1 1154 B13R1.42 CCOC(=O)C=Cc1ccccn1 271570a_100010199719_100011216584 [0,1,0,0,0,0|1,0,0]=2 1155 B13R1.42 CCOC(=O)C=Cc1cccnc1 271570a_100010199719_100000752921 [0,1,0,0,0,0|1,0,0]=2 1156 B13R1.42 CCOC(=O)C=Cc1cccnn1 271570a_100010199719_100016991348 [0,1,0,0,0,0|2,0,0]=3 1157 B13R1.42 CCOC(=O)C=Cc1ccncc1 271570a_100010199719_100000035832 [0,1,0,0,0,0|1,0,0]=2 1158 B13R1.42 CCOC(=O)C=Cc1ccncn1 271570a_100010199719_100000703185 [0,1,0,0,0,0|2,0,0]=3 1159 B13R1.42 CCOC(=O)C=Cc1ccnnc1 271570a_100010199719_100000732662 [0,1,0,0,0,0|2,0,0]=3 1160 B13R1.42 CCOC(=O)C=Cc1cnccn1 271570a_100010199719_100000758340 [0,1,0,0,0,0|2,0,0]=3 1161 B13R1.42 CCOC(=O)C=Cc1cncnc1 271570a_100010199719_100011206942 [0,1,0,0,0,0|2,0,0]=3 1162 B13R1.42 CCOC(=O)C=Cc1cnnnc1 271570a_100010199719_100009846058 [0,1,0,0,0,0|3,0,0]=4 1163 B13R1.42 CCOC(=O)C=Cc1ncccn1 271570a_100010199719_100000211032 [0,1,0,0,0,0|2,0,0]=3 1164 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [0,1,0,0,0,0|1,0,1]=3 1165 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [0,1,0,0,0,0|1,0,1]=3 1166 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [0,1,0,0,0,0|1,0,1]=3 1167 B13R1.42 CCOC(=O)COc1cccnc1 34a_100000210849_100000188475 [0,1,0,0,0,0|2,0,1]=4 1168 B13R1.42 CCOC(=O)COc1cccnc1 7a_100000210849_100000188475 [0,1,0,0,0,0|2,0,1]=4 1169 B13R1.42 CCOC(=O)COc1ccncc1 34a_100000212176_100000188475 [0,1,0,0,0,0|2,0,1]=4 1170 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [0,1,0,0,0,0|1,0,1]=3 1171 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [0,1,0,0,0,0|1,0,1]=3 1172 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100000188475_100011216584 [0,1,0,0,0,0|2,0,1]=4 1173 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100011216584_100000188475 [0,1,0,0,0,0|2,0,1]=4 1174 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000188475_100000210063 [0,1,0,0,0,0|2,0,1]=4 1175 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000210063_100000188475 [0,1,0,0,0,0|2,0,1]=4 1176 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000188475_100000728582 [0,1,0,0,0,0|2,0,1]=4 1177 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000728582_100000188475 [0,1,0,0,0,0|2,0,1]=4 1178 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [0,1,0,0,0,0|1,0,2]=4 1179 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [0,1,0,0,0,0|1,0,2]=4 1180 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [0,1,0,0,0,0|1,0,2]=4 1181 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_100000739245_200000210301 [0,1,0,0,0,0|2,0,1]=4 1182 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_106832991635_100000183539 [0,1,0,0,0,0|2,0,1]=4 1183 B13R1.42 CNCC(=O)NCc1ccccc1 34a_100102657272_100000183539 [0,1,0,0,0,0|2,0,1]=4 1184 B13R1.42 CNCC(=O)NCc1ccccc1 7a_106832991635_100000183539 [0,1,0,0,0,0|2,0,1]=4 1185 B13R1.42 CNCC(=O)OCc1ccccc1 2230a_106832991635_100000753625 [0,1,0,0,0,0|2,0,1]=4 1186 B13R1.42 CNCC(=O)OCc1ccccc1 34a_100102657272_100000753625 [0,1,0,0,0,0|2,0,1]=4 1187 B13R1.42 CNCC(=O)OCc1ccccc1 7a_106832991635_100000753625 [0,1,0,0,0,0|2,0,1]=4 1188 B13R1.42 CNNC(=O)C#Cc1ccccc1 22a_100016993582_100000736102 [0,1,0,0,0,0|1,0,2]=4 1189 B13R1.42 CNNC(=O)C=Cc1ccccc1 22a_100016993582_100000210462 [0,1,0,0,0,0|1,0,0]=2 1190 B13R1.42 CNNC(=O)C=Cc1ccccn1 22a_100016993582_100000740811 [0,1,0,0,0,0|2,0,0]=3 1191 B13R1.42 CNNC(=O)C=Cc1cccnc1 22a_100016993582_100000735890 [0,1,0,0,0,0|2,0,0]=3 1192 B13R1.42 CNNC(=O)C=Cc1ccncc1 22a_100016993582_100000682801 [0,1,0,0,0,0|2,0,0]=3 1193 B13R1.42 CNNC(=O)CCc1ccccc1 22a_100016993582_100000185753 [0,1,0,0,0,0|1,0,2]=4 1194 B13R1.42 CNNC(=O)COc1ccccc1 22a_100016993582_100000186222 [0,1,0,0,0,0|2,0,1]=4 1195 B13R1.42 CNNC(=O)CSc1ccccc1 22a_100016993582_100000211596 [0,1,0,0,0,0|2,0,1]=4 1196 B13R1.42 CNNC(=O)NCc1ccccc1 273464a_100015324214_100016993582 [0,1,0,0,0,0|2,0,1]=4 1197 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100015324214_100016993582 [0,1,0,0,0,0|2,0,1]=4 1198 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100016993582_100015324214 [0,1,0,0,0,0|2,0,1]=4 1199 B13R1.42 CNNC(=O)NNc1ccccc1 512a_100016993582_100015195140 [0,1,0,0,0,0|3,0,0]=4 1200 B13R1.42 COCC(=NNc1ccccc1)C 4a_100015195140_100000749346 [0,1,0,0,0,0|3,0,0]=4 1201 B13R1.42 COCC(=O)C=Cc1cncnc1 6a_100000749868_100000211753 [0,1,0,0,0,0|2,0,0]=3 1202 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [0,1,0,0,0,0|0,0,2]=3 1203 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [0,1,0,0,0,0|0,0,2]=3 1204 B13R1.42 COCC(=O)CCc1ccccn1 1458a_100000210968_100015183660 [0,1,0,0,0,0|1,0,2]=4 1205 B13R1.42 COCC(=O)CCc1cccnc1 1458a_100000210968_200011713674 [0,1,0,0,0,0|1,0,2]=4 1206 B13R1.42 COCC(=O)CCc1ccncc1 1458a_100000210968_100000723409 [0,1,0,0,0,0|1,0,2]=4 1207 B13R1.42 COCC(=O)NCc1ccccc1 11a_100015324214_100000210968 [0,1,0,0,0,0|1,0,1]=3 1208 B13R1.42 COCC(=O)NCc1ccccc1 1626a_100015324214_100000210968 [0,1,0,0,0,0|1,0,1]=3 1209 B13R1.42 COCC(=O)NCc1ccccc1 240690a_100015324214_100000210968 [0,1,0,0,0,0|1,0,1]=3 1210 B13R1.42 COCC(=O)NCc1ccccc1 34a_100138415774_100000183539 [0,1,0,0,0,0|1,0,1]=3 1211 B13R1.42 COCC(=O)NCc1ccccc1 527a_100015324214_100000210968 [0,1,0,0,0,0|1,0,1]=3 1212 B13R1.42 COCC(=O)NCc1ccccn1 11a_100000210449_100000210968 [0,1,0,0,0,0|2,0,1]=4 1213 B13R1.42 COCC(=O)NCc1ccccn1 1626a_100000210449_100000210968 [0,1,0,0,0,0|2,0,1]=4 1214 B13R1.42 COCC(=O)NCc1ccccn1 240690a_100000210449_100000210968 [0,1,0,0,0,0|2,0,1]=4 1215 B13R1.42 COCC(=O)NCc1ccccn1 34a_100138415774_100000684169 [0,1,0,0,0,0|2,0,1]=4 1216 B13R1.42 COCC(=O)NCc1ccccn1 527a_100000210449_100000210968 [0,1,0,0,0,0|2,0,1]=4 1217 B13R1.42 COCC(=O)NCc1cccnc1 11a_100000210453_100000210968 [0,1,0,0,0,0|2,0,1]=4 1218 B13R1.42 COCC(=O)NCc1cccnc1 240690a_100000210453_100000210968 [0,1,0,0,0,0|2,0,1]=4 1219 B13R1.42 COCC(=O)NCc1cccnc1 527a_100000210453_100000210968 [0,1,0,0,0,0|2,0,1]=4 1220 B13R1.42 COCC(=O)NCc1ccncc1 11a_100000210450_100000210968 [0,1,0,0,0,0|2,0,1]=4 1221 B13R1.42 COCC(=O)NCc1ccncc1 1626a_100000210450_100000210968 [0,1,0,0,0,0|2,0,1]=4 1222 B13R1.42 COCC(=O)NCc1ccncc1 240690a_100000210450_100000210968 [0,1,0,0,0,0|2,0,1]=4 1223 B13R1.42 COCC(=O)NCc1ccncc1 527a_100000210450_100000210968 [0,1,0,0,0,0|2,0,1]=4 1224 B13R1.42 COCC(=O)NNc1ccccc1 22a_100015195140_100000210968 [0,1,0,0,0,0|2,0,0]=3 1225 B13R1.42 COCC(=O)NNc1ccccn1 22a_100000183288_100000210968 [0,1,0,0,0,0|3,0,0]=4 1226 B13R1.42 COCC(=O)NNc1cccnc1 22a_100000728903_100000210968 [0,1,0,0,0,0|3,0,0]=4 1227 B13R1.42 COCC(=O)NNc1ccncc1 22a_100000698918_100000210968 [0,1,0,0,0,0|3,0,0]=4 1228 B13R1.42 COCC(=O)OCc1ccccc1 34a_100138415774_100000753625 [0,1,0,0,0,0|1,0,1]=3 1229 B13R1.42 CSCC(=O)C=Cc1cncnc1 6a_100000749868_100011216314 [0,1,0,0,0,0|2,1,0]=4 1230 B13R1.42 CSCC(=O)CCc1ccccc1 1458a_100000184570_100000765856 [0,1,0,0,0,0|0,1,2]=4 1231 B13R1.42 CSCC(=O)CCc1ccccc1 62a_100012361361_200000210301 [0,1,0,0,0,0|0,1,2]=4 1232 B13R1.42 CSCC(=O)CCc1ccccc1 62a_200000210301_100012361361 [0,1,0,0,0,0|0,1,2]=4 1233 B13R1.42 CSCC(=O)NCc1ccccc1 11a_100015324214_100000184570 [0,1,0,0,0,0|1,1,1]=4 1234 B13R1.42 CSCC(=O)NCc1ccccc1 1626a_100015324214_100000184570 [0,1,0,0,0,0|1,1,1]=4 1235 B13R1.42 CSCC(=O)NCc1ccccc1 240690a_100015324214_100000184570 [0,1,0,0,0,0|1,1,1]=4 1236 B13R1.42 CSCC(=O)NCc1ccccc1 527a_100015324214_100000184570 [0,1,0,0,0,0|1,1,1]=4 1237 B13R1.42 CSCC(=O)NCc1ccccc1 62a_100000183539_200000210301 [0,1,0,0,0,0|1,1,1]=4 1238 B13R1.42 CSCC(=O)NCc1ccccc1 62a_200000210301_100000183539 [0,1,0,0,0,0|1,1,1]=4 1239 B13R1.42 CSCC(=O)NNc1ccccc1 22a_100015195140_100000184570 [0,1,0,0,0,0|2,1,0]=4 1240 B13R1.42 CSCC(=O)OCc1ccccc1 62a_100000753625_200000210301 [0,1,0,0,0,0|1,1,1]=4 1241 B13R1.42 CSCC(=O)OCc1ccccc1 62a_200000210301_100000753625 [0,1,0,0,0,0|1,1,1]=4 1242 B13R1.42 N#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100011214920 [0,1,0,0,0,0|1,0,1]=3 1243 B13R1.42 N#CCC(=O)C=Cc1ccccn1 1458a_100000740811_100011214920 [0,1,0,0,0,0|2,0,1]=4 1244 B13R1.42 N#CCC(=O)C=Cc1cccnc1 1458a_100000735890_100011214920 [0,1,0,0,0,0|2,0,1]=4 1245 B13R1.42 N#CCC(=O)C=Cc1ccncc1 1458a_100000682801_100011214920 [0,1,0,0,0,0|2,0,1]=4 1246 B13R1.42 O=C(C#Cc1ccccc1)CCF 1458a_100000736102_100011217306 [0,1,0,0,0,0|1,0,2]=4 1247 B13R1.42 O=C(C#Cc1ccccc1)CCO 1458a_100000736102_100000211926 [0,1,0,0,0,0|1,0,2]=4 1248 B13R1.42 O=C(C=Cc1ccccc1)CCF 1458a_100000210462_100011217306 [0,1,0,0,0,0|1,0,0]=2 1249 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [0,1,0,0,0,0|1,0,0]=2 1250 B13R1.42 O=C(C=Cc1ccccn1)CCF 1458a_100000740811_100011217306 [0,1,0,0,0,0|2,0,0]=3 1251 B13R1.42 O=C(C=Cc1ccccn1)CCO 1458a_100000740811_100000211926 [0,1,0,0,0,0|2,0,0]=3 1252 B13R1.42 O=C(C=Cc1cccnc1)CCF 1458a_100000735890_100011217306 [0,1,0,0,0,0|2,0,0]=3 1253 B13R1.42 O=C(C=Cc1cccnc1)CCO 1458a_100000735890_100000211926 [0,1,0,0,0,0|2,0,0]=3 1254 B13R1.42 O=C(C=Cc1ccncc1)CCF 1458a_100000682801_100011217306 [0,1,0,0,0,0|2,0,0]=3 1255 B13R1.42 O=C(C=Cc1ccncc1)CCO 1458a_100000682801_100000211926 [0,1,0,0,0,0|2,0,0]=3 1256 B13R1.42 O=C(C=Cc1cncnc1)CCBr 6a_100000749868_100011261029 [0,1,0,0,0,0|3,0,0]=4 1257 B13R1.42 O=C(C=Cc1cncnc1)CCCl 6a_100000749868_100000053229 [0,1,0,0,0,0|3,0,0]=4 1258 B13R1.42 O=C(CCF)CCc1ccccc1 1458a_100000185753_100011217306 [0,1,0,0,0,0|1,0,2]=4 1259 B13R1.42 O=C(CCF)COc1ccccc1 1458a_100000186222_100011217306 [0,1,0,0,0,0|2,0,1]=4 1260 B13R1.42 O=C(CCF)CSc1ccccc1 1458a_100000211596_100011217306 [0,1,0,0,0,0|2,0,1]=4 1261 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [0,1,0,0,0,0|1,0,2]=4 1262 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [0,1,0,0,0,0|1,0,2]=4 1263 B13R1.42 O=C(CCO)COc1ccccc1 1458a_100000186222_100000211926 [0,1,0,0,0,0|2,0,1]=4 1264 B13R1.42 O=C(CCO)CSc1ccccc1 1458a_100000211596_100000211926 [0,1,0,0,0,0|2,0,1]=4 1265 B13R1.42 O=C(CCO)NCc1ccccc1 240690a_100015324214_100011216618 [0,1,0,0,0,0|2,0,1]=4 1266 B13R1.42 O=C(CCO)NNc1ccccc1 22a_100015195140_100011216618 [0,1,0,0,0,0|3,0,0]=4 1267 B13R1.42 O=C(CNc1ccccc1)NCO 34a_100000106764_100000185155 [0,1,0,0,0,0|2,0,1]=4 1268 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [0,1,0,0,0,0|2,0,1]=4 1269 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [0,1,0,0,0,0|2,0,1]=4 1270 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000185155_100000041952 [0,1,0,0,0,0|2,0,1]=4 1271 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000719477_100000185155 [0,1,0,0,0,0|2,0,1]=4 1272 B13R1.42 [13CH3]NCC(=O)NCc1ccccc1 2230a_100000739245_200025704644 [0,1,0,0,0,0|2,0,1]=4 1273 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_100012361361_200025704644 [0,1,0,0,0,0|0,1,2]=4 1274 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_200025704644_100012361361 [0,1,0,0,0,0|0,1,2]=4 1275 B13R1.42 [13CH3]SCC(=O)NCc1ccccc1 62a_100000183539_200025704644 [0,1,0,0,0,0|1,1,1]=4 1276 B13R1.42 [13CH3]SCC(=O)NCc1ccccc1 62a_200025704644_100000183539 [0,1,0,0,0,0|1,1,1]=4 1277 B13R1.42 [13CH3]SCC(=O)OCc1ccccc1 62a_100000753625_200025704644 [0,1,0,0,0,0|1,1,1]=4 1278 B13R1.42 [13CH3]SCC(=O)OCc1ccccc1 62a_200025704644_100000753625 [0,1,0,0,0,0|1,1,1]=4 1279 B13R1.135 C/C(=C\c1ccccc1)/C(=O)CF 1458a_100016990649_100015361967 [0,1,0,0,0,0|2,0,0]=3 1280 B13R1.135 C/C(=C\c1ccccn1)/C(=O)CF 1458a_100025712827_100015361967 [0,1,0,0,0,0|3,0,0]=4 1281 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccc1 1458a_100020587367_100015291786 [0,1,0,0,0,0|2,0,1]=4 1282 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100020587367 [0,1,0,0,0,0|3,0,0]=4 1283 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100020587367 [0,1,0,0,0,0|3,0,0]=4 1284 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100020587367 [0,1,0,0,0,0|3,0,0]=4 1285 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 11a_106832991635_100000066491 [0,1,0,0,0,0|1,0,1]=3 1286 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 1626a_100102657272_100000066491 [0,1,0,0,0,0|1,0,1]=3 1287 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210202 [0,1,0,0,0,0|1,0,0]=2 1288 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210202 [0,1,0,0,0,0|1,0,0]=2 1289 B13R1.135 CCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210202 [0,1,0,0,0,0|2,0,0]=3 1290 B13R1.135 CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210202 [0,1,0,0,0,0|1,0,0]=2 1291 B13R1.135 CCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210202 [0,1,0,0,0,0|2,0,0]=3 1292 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210202 [0,1,0,0,0,0|2,0,0]=3 1293 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [0,1,0,0,0,0|1,0,2]=4 1294 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [0,1,0,0,0,0|1,0,2]=4 1295 B13R1.135 CCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210202 [0,1,0,0,0,0|2,0,1]=4 1296 B13R1.135 CCC(=O)C(C)Oc1ccccc1 7a_100000210340_100000742827 [0,1,0,0,0,0|2,0,1]=4 1297 B13R1.135 CCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210202 [0,1,0,0,0,0|2,0,1]=4 1298 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000719477_100000742827 [0,1,0,0,0,0|2,0,1]=4 1299 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000742827_100000041952 [0,1,0,0,0,0|2,0,1]=4 1300 B13R1.135 CCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000210414 [0,1,0,0,0,0|2,0,1]=4 1301 B13R1.135 CCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000210414 [0,1,0,0,0,0|2,0,1]=4 1302 B13R1.135 CCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000210414 [0,1,0,0,0,0|2,0,1]=4 1303 B13R1.135 CCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000210414 [0,1,0,0,0,0|2,0,1]=4 1304 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [0,1,0,0,0,0|1,0,2]=4 1305 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 11a_106832991635_100016990649 [0,1,0,0,0,0|1,0,0]=2 1306 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 1626a_100102657272_100016990649 [0,1,0,0,0,0|1,0,0]=2 1307 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 527a_100102657272_100016990649 [0,1,0,0,0,0|1,0,0]=2 1308 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 11a_106832991635_200020598536 [0,1,0,0,0,0|1,0,0]=2 1309 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100102657272_200020598536 [0,1,0,0,0,0|1,0,0]=2 1310 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100102657272_200020598536 [0,1,0,0,0,0|1,0,0]=2 1311 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100102657272_200020598536 [0,1,0,0,0,0|1,0,0]=2 1312 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 11a_106832991635_100025712827 [0,1,0,0,0,0|2,0,0]=3 1313 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 1626a_100102657272_100025712827 [0,1,0,0,0,0|2,0,0]=3 1314 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 527a_100102657272_100025712827 [0,1,0,0,0,0|2,0,0]=3 1315 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 11a_106832991635_100020889036 [0,1,0,0,0,0|1,0,0]=2 1316 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 527a_100102657272_100020889036 [0,1,0,0,0,0|1,0,0]=2 1317 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 11a_106832991635_100000731744 [0,1,0,0,0,0|2,0,0]=3 1318 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 240690a_100102657272_100000731744 [0,1,0,0,0,0|2,0,0]=3 1319 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 527a_100102657272_100000731744 [0,1,0,0,0,0|2,0,0]=3 1320 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 1458a_100011218921_100015291786 [0,1,0,0,0,0|1,0,1]=3 1321 B13R1.135 CNC(=O)C(=O)Cc1ccccn1 1458a_100011218921_100000721315 [0,1,0,0,0,0|2,0,1]=4 1322 B13R1.135 CNC(=O)C(=O)Cc1cccnc1 1458a_100011218921_100000733263 [0,1,0,0,0,0|2,0,1]=4 1323 B13R1.135 CNC(=O)C(=O)Cc1ccncc1 1458a_100011218921_100000705612 [0,1,0,0,0,0|2,0,1]=4 1324 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011218921 [0,1,0,0,0,0|2,0,0]=3 1325 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011218921 [0,1,0,0,0,0|2,0,0]=3 1326 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 240690a_100102657272_100000738435 [0,1,0,0,0,0|2,0,0]=3 1327 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_100011218921 [0,1,0,0,0,0|2,0,0]=3 1328 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [0,1,0,0,0,0|1,0,2]=4 1329 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [0,1,0,0,0,0|1,0,2]=4 1330 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [0,1,0,0,0,0|1,0,2]=4 1331 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [0,1,0,0,0,0|1,0,2]=4 1332 B13R1.135 CNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000731044 [0,1,0,0,0,0|2,0,1]=4 1333 B13R1.135 CNC(=O)C(C)Oc1ccccc1 11a_106832991635_100000188414 [0,1,0,0,0,0|2,0,1]=4 1334 B13R1.135 CNC(=O)C(C)Oc1ccccc1 1626a_100102657272_100000188414 [0,1,0,0,0,0|2,0,1]=4 1335 B13R1.135 CNC(=O)C(C)Oc1ccccc1 240690a_100102657272_100000188414 [0,1,0,0,0,0|2,0,1]=4 1336 B13R1.135 CNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000731044 [0,1,0,0,0,0|2,0,1]=4 1337 B13R1.135 CNC(=O)C(C)Oc1ccccc1 527a_100102657272_100000188414 [0,1,0,0,0,0|2,0,1]=4 1338 B13R1.135 CNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000209862 [0,1,0,0,0,0|2,0,1]=4 1339 B13R1.135 CNC(=O)C(C)Sc1ccccc1 11a_106832991635_100000199063 [0,1,0,0,0,0|2,0,1]=4 1340 B13R1.135 CNC(=O)C(C)Sc1ccccc1 1626a_100102657272_100000199063 [0,1,0,0,0,0|2,0,1]=4 1341 B13R1.135 CNC(=O)C(C)Sc1ccccc1 240690a_100102657272_100000199063 [0,1,0,0,0,0|2,0,1]=4 1342 B13R1.135 CNC(=O)C(C)Sc1ccccc1 527a_100102657272_100000199063 [0,1,0,0,0,0|2,0,1]=4 1343 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000209862_100000041952 [0,1,0,0,0,0|2,0,1]=4 1344 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000731044 [0,1,0,0,0,0|2,0,1]=4 1345 B13R1.135 CNC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813575 [0,1,0,0,0,0|2,0,1]=4 1346 B13R1.135 CNC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813575 [0,1,0,0,0,0|2,0,1]=4 1347 B13R1.135 CNC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813575 [0,1,0,0,0,0|2,0,1]=4 1348 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813575 [0,1,0,0,0,0|2,0,1]=4 1349 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100009813575_100000041952 [0,1,0,0,0,0|2,0,1]=4 1350 B13R1.135 CNC(=O)N(C)Cc1ccccc1 2708a_100102657272_100000186898 [0,1,0,0,0,0|2,0,1]=4 1351 B13R1.135 CNC(=O)N(C)Cc1ccccc1 273464a_100102657272_100000186898 [0,1,0,0,0,0|2,0,1]=4 1352 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [0,1,0,0,0,0|1,0,2]=4 1353 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,1,0,0,0,0|1,0,0]=2 1354 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,1,0,0,0,0|1,0,0]=2 1355 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,1,0,0,0,0|1,0,0]=2 1356 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [0,1,0,0,0,0|1,0,1]=3 1357 B13R1.135 COC(=O)C(C)Oc1ccccc1 34a_100000210340_100000211248 [0,1,0,0,0,0|1,0,1]=3 1358 B13R1.135 COC(=O)C(C)Oc1ccccc1 7a_100000210340_100000211248 [0,1,0,0,0,0|1,0,1]=3 1359 B13R1.135 COC(=O)C(C)Oc1cccnc1 34a_100000210849_100000211248 [0,1,0,0,0,0|2,0,1]=4 1360 B13R1.135 COC(=O)C(C)Oc1cccnc1 7a_100000210849_100000211248 [0,1,0,0,0,0|2,0,1]=4 1361 B13R1.135 COC(=O)C(C)Oc1ccncc1 34a_100000212176_100000211248 [0,1,0,0,0,0|2,0,1]=4 1362 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000211248_100000041952 [0,1,0,0,0,0|1,0,1]=3 1363 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000719477_100000211248 [0,1,0,0,0,0|1,0,1]=3 1364 B13R1.135 COC(=O)C(C)Sc1ccccn1 62a_100000211248_100011216584 [0,1,0,0,0,0|2,0,1]=4 1365 B13R1.135 COC(=O)C(C)Sc1ccccn1 62a_100011216584_100000211248 [0,1,0,0,0,0|2,0,1]=4 1366 B13R1.135 COC(=O)C(C)Sc1cccnc1 62a_100000210063_100000211248 [0,1,0,0,0,0|2,0,1]=4 1367 B13R1.135 COC(=O)C(C)Sc1cccnc1 62a_100000211248_100000210063 [0,1,0,0,0,0|2,0,1]=4 1368 B13R1.135 COC(=O)C(C)Sc1ccncc1 62a_100000211248_100000728582 [0,1,0,0,0,0|2,0,1]=4 1369 B13R1.135 COC(=O)C(C)Sc1ccncc1 62a_100000728582_100000211248 [0,1,0,0,0,0|2,0,1]=4 1370 B13R1.135 COC(C)C(=O)Cc1ccccc1 1458a_100000743197_100015291786 [0,1,0,0,0,0|1,0,2]=4 1371 B13R1.135 COC(C)C(=O)Nc1ccccc1 11a_100000106764_100000743197 [0,1,0,0,0,0|2,0,1]=4 1372 B13R1.135 COC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000743197 [0,1,0,0,0,0|2,0,1]=4 1373 B13R1.135 COC(C)C(=O)Nc1ccccc1 22a_100000106764_100000743197 [0,1,0,0,0,0|2,0,1]=4 1374 B13R1.135 COC(C)C(=O)Nc1ccccc1 34a_100138415774_100000183986 [0,1,0,0,0,0|2,0,1]=4 1375 B13R1.135 COC(C)C(=O)Nc1ccccc1 527a_100000106764_100000743197 [0,1,0,0,0,0|2,0,1]=4 1376 B13R1.135 O=C(CF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100015361967 [0,1,0,0,0,0|2,0,0]=3 1377 B13R1.135 O=C(CF)/C(=C\c1ccccc1)/F 1458a_100020889036_100015361967 [0,1,0,0,0,0|2,0,0]=3 1378 B13R1.135 O=C(CF)C(=Cc1cccnc1)F 1458a_100000731744_100015361967 [0,1,0,0,0,0|3,0,0]=4 1379 B13R1.135 O=C(CF)C(=O)Nc1ccccc1 1458a_100000738435_100015361967 [0,1,0,0,0,0|3,0,0]=4 1380 B13R1.254 CNS(=O)(=O)C=Cc1ccccc1 40a_100102657272_100011098038 [0,1,0,0,0,0|2,0,0]=3 1381 B13R1.351 C=C(C)C(=O)CCc1ccccc1 1458a_100000185857_100000765856 [0,1,0,0,0,0|1,0,2]=4 1382 B13R1.351 C=C(C)C(=O)NCc1ccccc1 11a_100015324214_100000185857 [0,1,0,0,0,0|2,0,1]=4 1383 B13R1.351 C=C(C)C(=O)NCc1ccccc1 1626a_100015324214_100000185857 [0,1,0,0,0,0|2,0,1]=4 1384 B13R1.351 C=C(C)C(=O)NNc1ccccc1 22a_100015195140_100000185857 [0,1,0,0,0,0|3,0,0]=4 1385 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,1,0,0,0,0|2,0,1]=4 1386 B13R1.351 CC(=O)C(=O)COc1ccccc1 34a_100000210340_100011261029 [0,1,0,0,0,0|2,0,1]=4 1387 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011261029 [0,1,0,0,0,0|2,0,1]=4 1388 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100011261029_100000041952 [0,1,0,0,0,0|2,0,1]=4 1389 B13R1.351 CC(C)C(=O)C#Cc1ccccc1 1458a_100000736102_100000210206 [0,1,0,0,0,0|1,0,2]=4 1390 B13R1.351 CC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000210206 [0,1,0,0,0,0|1,0,0]=2 1391 B13R1.351 CC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100000210206 [0,1,0,0,0,0|2,0,0]=3 1392 B13R1.351 CC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_100000210206 [0,1,0,0,0,0|2,0,0]=3 1393 B13R1.351 CC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_100000210206 [0,1,0,0,0,0|2,0,0]=3 1394 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000210206 [0,1,0,0,0,0|1,0,2]=4 1395 B13R1.351 CC(C)C(=O)CCc1ccccc1 1458a_100000210198_100000765856 [0,1,0,0,0,0|1,0,2]=4 1396 B13R1.351 CC(C)C(=O)CNc1ccccc1 34a_100000106764_100000753385 [0,1,0,0,0,0|2,0,1]=4 1397 B13R1.351 CC(C)C(=O)COc1ccccc1 1458a_100000186222_100000210206 [0,1,0,0,0,0|2,0,1]=4 1398 B13R1.351 CC(C)C(=O)COc1ccccc1 34a_100000210340_100000753385 [0,1,0,0,0,0|2,0,1]=4 1399 B13R1.351 CC(C)C(=O)COc1ccccc1 7a_100000210340_100000753385 [0,1,0,0,0,0|2,0,1]=4 1400 B13R1.351 CC(C)C(=O)CSc1ccccc1 1458a_100000211596_100000210206 [0,1,0,0,0,0|2,0,1]=4 1401 B13R1.351 CC(C)C(=O)CSc1ccccc1 62a_100000719477_100000753385 [0,1,0,0,0,0|2,0,1]=4 1402 B13R1.351 CC(C)C(=O)CSc1ccccc1 62a_100000753385_100000041952 [0,1,0,0,0,0|2,0,1]=4 1403 B13R1.351 CC(C)C(=O)NCc1ccccc1 11a_100015324214_100000210198 [0,1,0,0,0,0|2,0,1]=4 1404 B13R1.351 CC(C)C(=O)NCc1ccccc1 1626a_100015324214_100000210198 [0,1,0,0,0,0|2,0,1]=4 1405 B13R1.351 CC(C)C(=O)NCc1ccccc1 240690a_100015324214_100000210198 [0,1,0,0,0,0|2,0,1]=4 1406 B13R1.351 CC(C)C(=O)NCc1ccccc1 527a_100015324214_100000210198 [0,1,0,0,0,0|2,0,1]=4 1407 B13R1.351 CC(C)C(=O)NNc1ccccc1 22a_100015195140_100000210198 [0,1,0,0,0,0|3,0,0]=4 1408 B13R1.351 CC(F)C(=O)CCc1ccccc1 1458a_100000062450_100000765856 [0,1,0,0,0,0|1,0,2]=4 1409 B13R1.351 CC(F)C(=O)NCc1ccccc1 11a_100015324214_100000062450 [0,1,0,0,0,0|2,0,1]=4 1410 B13R1.351 CC(F)C(=O)NCc1ccccc1 1626a_100015324214_100000062450 [0,1,0,0,0,0|2,0,1]=4 1411 B13R1.351 CC(F)C(=O)NCc1ccccc1 240690a_100015324214_100000062450 [0,1,0,0,0,0|2,0,1]=4 1412 B13R1.351 CC(F)C(=O)NCc1ccccc1 527a_100015324214_100000062450 [0,1,0,0,0,0|2,0,1]=4 1413 B13R1.351 CC(F)C(=O)NNc1ccccc1 22a_100015195140_100000062450 [0,1,0,0,0,0|3,0,0]=4 1414 B13R1.351 CN(C)C(=O)C#Cc1ccccc1 240690a_100102631434_100000736102 [0,1,0,0,0,0|1,0,2]=4 1415 B13R1.351 CN(C)C(=O)C=Cc1ccccc1 11a_100102631434_100000210462 [0,1,0,0,0,0|1,0,0]=2 1416 B13R1.351 CN(C)C(=O)C=Cc1ccccc1 1626a_100102631434_100000210462 [0,1,0,0,0,0|1,0,0]=2 1417 B13R1.351 CN(C)C(=O)C=Cc1ccccn1 11a_100102631434_100000740811 [0,1,0,0,0,0|2,0,0]=3 1418 B13R1.351 CN(C)C(=O)C=Cc1ccccn1 240690a_100102631434_100000740811 [0,1,0,0,0,0|2,0,0]=3 1419 B13R1.351 CN(C)C(=O)C=Cc1cccnc1 11a_100102631434_100000735890 [0,1,0,0,0,0|2,0,0]=3 1420 B13R1.351 CN(C)C(=O)C=Cc1cccnc1 240690a_100102631434_100000735890 [0,1,0,0,0,0|2,0,0]=3 1421 B13R1.351 CN(C)C(=O)C=Cc1ccncc1 240690a_100102631434_100000682801 [0,1,0,0,0,0|2,0,0]=3 1422 B13R1.351 CN(C)C(=O)CCc1ccccc1 11a_100102631434_100000185753 [0,1,0,0,0,0|1,0,2]=4 1423 B13R1.351 CN(C)C(=O)CCc1ccccc1 1626a_100102631434_100000185753 [0,1,0,0,0,0|1,0,2]=4 1424 B13R1.351 CN(C)C(=O)CCc1ccccc1 240690a_100102631434_100000185753 [0,1,0,0,0,0|1,0,2]=4 1425 B13R1.351 CN(C)C(=O)CCc1ccccc1 271570a_200010232142_100000210277 [0,1,0,0,0,0|1,0,2]=4 1426 B13R1.351 CN(C)C(=O)CCc1ccccc1 527a_100102631434_100000185753 [0,1,0,0,0,0|1,0,2]=4 1427 B13R1.351 CN(C)C(=O)CNc1ccccc1 34a_100000106764_100000692301 [0,1,0,0,0,0|2,0,1]=4 1428 B13R1.351 CN(C)C(=O)COc1ccccc1 11a_100102631434_100000186222 [0,1,0,0,0,0|2,0,1]=4 1429 B13R1.351 CN(C)C(=O)COc1ccccc1 1626a_100102631434_100000186222 [0,1,0,0,0,0|2,0,1]=4 1430 B13R1.351 CN(C)C(=O)COc1ccccc1 240690a_100102631434_100000186222 [0,1,0,0,0,0|2,0,1]=4 1431 B13R1.351 CN(C)C(=O)COc1ccccc1 34a_100000210340_100000692301 [0,1,0,0,0,0|2,0,1]=4 1432 B13R1.351 CN(C)C(=O)COc1ccccc1 527a_100102631434_100000186222 [0,1,0,0,0,0|2,0,1]=4 1433 B13R1.351 CN(C)C(=O)COc1ccccc1 7a_100000210340_100000692301 [0,1,0,0,0,0|2,0,1]=4 1434 B13R1.351 CN(C)C(=O)CSc1ccccc1 11a_100102631434_100000211596 [0,1,0,0,0,0|2,0,1]=4 1435 B13R1.351 CN(C)C(=O)CSc1ccccc1 1626a_100102631434_100000211596 [0,1,0,0,0,0|2,0,1]=4 1436 B13R1.351 CN(C)C(=O)CSc1ccccc1 240690a_100102631434_100000211596 [0,1,0,0,0,0|2,0,1]=4 1437 B13R1.351 CN(C)C(=O)CSc1ccccc1 527a_100102631434_100000211596 [0,1,0,0,0,0|2,0,1]=4 1438 B13R1.351 CN(C)C(=O)CSc1ccccc1 62a_100000692301_100000041952 [0,1,0,0,0,0|2,0,1]=4 1439 B13R1.351 CN(C)C(=O)CSc1ccccc1 62a_100000719477_100000692301 [0,1,0,0,0,0|2,0,1]=4 1440 B13R1.351 CN(C)C(=O)NCc1ccccc1 2708a_100015324214_100102631434 [0,1,0,0,0,0|2,0,1]=4 1441 B13R1.351 C[C@@H](O)C(=O)CCc1ccccc1 1458a_100000717761_100000765856 [0,1,0,0,0,0|1,0,2]=4 1442 B13R1.351 C[C@@H](O)C(=O)NCc1ccccc1 240690a_100015324214_100000717761 [0,1,0,0,0,0|2,0,1]=4 1443 B13R1.351 C[C@@H](O)C(=O)NNc1ccccc1 22a_100015195140_100000717761 [0,1,0,0,0,0|3,0,0]=4 1444 B13R1.351 C[C@H](O)C(=O)CCc1ccccc1 1458a_217856618621_100000765856 [0,1,0,0,0,0|1,0,2]=4 1445 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 1626a_100015324214_217856618621 [0,1,0,0,0,0|2,0,1]=4 1446 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 240690a_100015324214_217856618621 [0,1,0,0,0,0|2,0,1]=4 1447 B13R1.351 C[C@H](O)C(=O)NNc1ccccc1 22a_100015195140_217856618621 [0,1,0,0,0,0|3,0,0]=4 1448 B13R1.528 CCC(=O)C#Cc1ccccc1F 1458a_100011892747_100000210202 [0,1,0,0,0,0|1,0,2]=4 1449 B13R1.528 CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210202 [0,1,0,0,0,0|1,0,0]=2 1450 B13R1.528 CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210202 [0,1,0,0,0,0|1,0,0]=2 1451 B13R1.528 CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210202 [0,1,0,0,0,0|1,0,0]=2 1452 B13R1.528 CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210202 [0,1,0,0,0,0|1,0,0]=2 1453 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000210414_100012161201 [0,1,0,0,0,0|1,0,2]=4 1454 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210202 [0,1,0,0,0,0|1,0,2]=4 1455 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000210414_100011713688 [0,1,0,0,0,0|1,0,2]=4 1456 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000748742_100000210202 [0,1,0,0,0,0|1,0,2]=4 1457 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210202 [0,1,0,0,0,0|1,0,2]=4 1458 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000210414_100011713703 [0,1,0,0,0,0|1,0,2]=4 1459 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000189703_100000210202 [0,1,0,0,0,0|1,0,2]=4 1460 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000210414_100000720011 [0,1,0,0,0,0|1,0,2]=4 1461 B13R1.528 CCC(=O)CCc1ccccc1I 1458a_100000037306_100000210202 [0,1,0,0,0,0|1,0,2]=4 1462 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000181328_100000210202 [0,1,0,0,0,0|1,0,2]=4 1463 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000210414_100000722297 [0,1,0,0,0,0|1,0,2]=4 1464 B13R1.528 CCC(=O)COc1ccccc1Br 1458a_100000216496_100000210202 [0,1,0,0,0,0|2,0,1]=4 1465 B13R1.528 CCC(=O)COc1ccccc1Br 7a_100000181306_100000747405 [0,1,0,0,0,0|2,0,1]=4 1466 B13R1.528 CCC(=O)COc1ccccc1C 1458a_100000182418_100000210202 [0,1,0,0,0,0|2,0,1]=4 1467 B13R1.528 CCC(=O)COc1ccccc1C 7a_100000210338_100000747405 [0,1,0,0,0,0|2,0,1]=4 1468 B13R1.528 CCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210202 [0,1,0,0,0,0|2,0,1]=4 1469 B13R1.528 CCC(=O)COc1ccccc1Cl 7a_100000210172_100000747405 [0,1,0,0,0,0|2,0,1]=4 1470 B13R1.528 CCC(=O)COc1ccccc1F 1458a_100000182486_100000210202 [0,1,0,0,0,0|2,0,1]=4 1471 B13R1.528 CCC(=O)COc1ccccc1F 7a_100000210171_100000747405 [0,1,0,0,0,0|2,0,1]=4 1472 B13R1.528 CCC(=O)COc1ccccc1I 7a_100000739446_100000747405 [0,1,0,0,0,0|2,0,1]=4 1473 B13R1.528 CCC(=O)COc1ccccc1N 7a_100000185747_100000747405 [0,1,0,0,0,0|2,0,1]=4 1474 B13R1.528 CCC(=O)COc1ccccc1O 1458a_100000183020_100000210202 [0,1,0,0,0,0|2,0,1]=4 1475 B13R1.528 CCC(=O)CSc1ccccc1Br 62a_100000695589_100000747405 [0,1,0,0,0,0|2,0,1]=4 1476 B13R1.528 CCC(=O)CSc1ccccc1Br 62a_100000747405_100000695589 [0,1,0,0,0,0|2,0,1]=4 1477 B13R1.528 CCC(=O)CSc1ccccc1C 1458a_100000183026_100000210202 [0,1,0,0,0,0|2,0,1]=4 1478 B13R1.528 CCC(=O)CSc1ccccc1C 62a_100000210755_100000747405 [0,1,0,0,0,0|2,0,1]=4 1479 B13R1.528 CCC(=O)CSc1ccccc1C 62a_100000747405_100000210755 [0,1,0,0,0,0|2,0,1]=4 1480 B13R1.528 CCC(=O)CSc1ccccc1Cl 62a_100000747405_100000764095 [0,1,0,0,0,0|2,0,1]=4 1481 B13R1.528 CCC(=O)CSc1ccccc1Cl 62a_100000764095_100000747405 [0,1,0,0,0,0|2,0,1]=4 1482 B13R1.528 CCC(=O)CSc1ccccc1F 1458a_100000179528_100000210202 [0,1,0,0,0,0|2,0,1]=4 1483 B13R1.528 CCC(=O)CSc1ccccc1F 62a_100000747405_100011215700 [0,1,0,0,0,0|2,0,1]=4 1484 B13R1.528 CCC(=O)CSc1ccccc1F 62a_100011215700_100000747405 [0,1,0,0,0,0|2,0,1]=4 1485 B13R1.528 CCC(=O)CSc1ccccc1N 62a_100000210017_100000747405 [0,1,0,0,0,0|2,0,1]=4 1486 B13R1.528 CCC(=O)CSc1ccccc1N 62a_100000747405_100000210017 [0,1,0,0,0,0|2,0,1]=4 1487 B13R1.528 CCC(=O)CSc1ccccc1O 1458a_100000695322_100000210202 [0,1,0,0,0,0|2,0,1]=4 1488 B13R1.528 CCC(=O)CSc1ccccc1O 62a_100000739446_100000747405 [0,1,0,0,0,0|2,0,1]=4 1489 B13R1.528 CCC(=O)CSc1ccccc1O 62a_100000747405_100000739446 [0,1,0,0,0,0|2,0,1]=4 1490 B13R1.528 CCC(=O)NCc1ccccc1Br 11a_100000689332_100000210414 [0,1,0,0,0,0|2,0,1]=4 1491 B13R1.528 CCC(=O)NCc1ccccc1Br 1626a_100000689332_100000210414 [0,1,0,0,0,0|2,0,1]=4 1492 B13R1.528 CCC(=O)NCc1ccccc1Br 240690a_100000689332_100000210414 [0,1,0,0,0,0|2,0,1]=4 1493 B13R1.528 CCC(=O)NCc1ccccc1Br 527a_100000689332_100000210414 [0,1,0,0,0,0|2,0,1]=4 1494 B13R1.528 CCC(=O)NCc1ccccc1C 11a_100000174972_100000210414 [0,1,0,0,0,0|2,0,1]=4 1495 B13R1.528 CCC(=O)NCc1ccccc1C 1626a_100000174972_100000210414 [0,1,0,0,0,0|2,0,1]=4 1496 B13R1.528 CCC(=O)NCc1ccccc1C 240690a_100000174972_100000210414 [0,1,0,0,0,0|2,0,1]=4 1497 B13R1.528 CCC(=O)NCc1ccccc1C 527a_100000174972_100000210414 [0,1,0,0,0,0|2,0,1]=4 1498 B13R1.528 CCC(=O)NCc1ccccc1Cl 11a_100000174879_100000210414 [0,1,0,0,0,0|2,0,1]=4 1499 B13R1.528 CCC(=O)NCc1ccccc1Cl 1626a_100000174879_100000210414 [0,1,0,0,0,0|2,0,1]=4 1500 B13R1.528 CCC(=O)NCc1ccccc1Cl 240690a_100000174879_100000210414 [0,1,0,0,0,0|2,0,1]=4 1501 B13R1.528 CCC(=O)NCc1ccccc1Cl 527a_100000174879_100000210414 [0,1,0,0,0,0|2,0,1]=4 1502 B13R1.528 CCC(=O)NCc1ccccc1F 11a_100000174869_100000210414 [0,1,0,0,0,0|2,0,1]=4 1503 B13R1.528 CCC(=O)NCc1ccccc1F 1626a_100000174869_100000210414 [0,1,0,0,0,0|2,0,1]=4 1504 B13R1.528 CCC(=O)NCc1ccccc1F 240690a_100000174869_100000210414 [0,1,0,0,0,0|2,0,1]=4 1505 B13R1.528 CCC(=O)NCc1ccccc1F 527a_100000174869_100000210414 [0,1,0,0,0,0|2,0,1]=4 1506 B13R1.528 CCC(=O)NCc1ccccc1I 11a_100015347259_100000210414 [0,1,0,0,0,0|2,0,1]=4 1507 B13R1.528 CCC(=O)NCc1ccccc1I 1626a_100015347259_100000210414 [0,1,0,0,0,0|2,0,1]=4 1508 B13R1.528 CCC(=O)NCc1ccccc1I 240690a_100015347259_100000210414 [0,1,0,0,0,0|2,0,1]=4 1509 B13R1.528 CCC(=O)NCc1ccccc1I 527a_100015347259_100000210414 [0,1,0,0,0,0|2,0,1]=4 1510 B13R1.528 CCC(=O)NCc1ccccc1O 240690a_100000185550_100000210414 [0,1,0,0,0,0|2,0,1]=4 1511 B13R1.528 CCC(=O)NCc1ccccc1O 527a_100000185550_100000210414 [0,1,0,0,0,0|2,0,1]=4 1512 B13R1.528 CCC(=O)NNc1ccccc1Br 22a_100000241748_100000210414 [0,1,0,0,0,0|3,0,0]=4 1513 B13R1.528 CCC(=O)NNc1ccccc1C 22a_100000184220_100000210414 [0,1,0,0,0,0|3,0,0]=4 1514 B13R1.528 CCC(=O)NNc1ccccc1Cl 22a_100000683529_100000210414 [0,1,0,0,0,0|3,0,0]=4 1515 B13R1.528 CCC(=O)NNc1ccccc1F 22a_100000239246_100000210414 [0,1,0,0,0,0|3,0,0]=4 1516 B13R1.528 CCC(=O)NNc1ccccc1I 22a_100011218156_100000210414 [0,1,0,0,0,0|3,0,0]=4 1517 B13R1.528 CNC(=O)C=Cc1ccccc1Br 11a_106832991635_100000719032 [0,1,0,0,0,0|1,0,0]=2 1518 B13R1.528 CNC(=O)C=Cc1ccccc1Br 1626a_100102657272_100000719032 [0,1,0,0,0,0|1,0,0]=2 1519 B13R1.528 CNC(=O)C=Cc1ccccc1Br 240690a_100102657272_100000719032 [0,1,0,0,0,0|1,0,0]=2 1520 B13R1.528 CNC(=O)C=Cc1ccccc1C 1626a_100102657272_100016266485 [0,1,0,0,0,0|1,0,0]=2 1521 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 11a_106832991635_100000720304 [0,1,0,0,0,0|1,0,0]=2 1522 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 1626a_100102657272_100000720304 [0,1,0,0,0,0|1,0,0]=2 1523 B13R1.528 CNC(=O)C=Cc1ccccc1Cl 240690a_100102657272_100000720304 [0,1,0,0,0,0|1,0,0]=2 1524 B13R1.528 CNC(=O)C=Cc1ccccc1F 11a_106832991635_100016256065 [0,1,0,0,0,0|1,0,0]=2 1525 B13R1.528 CNC(=O)C=Cc1ccccc1F 1626a_100102657272_100016256065 [0,1,0,0,0,0|1,0,0]=2 1526 B13R1.528 CNC(=O)C=Cc1ccccc1F 240690a_100102657272_100016256065 [0,1,0,0,0,0|1,0,0]=2 1527 B13R1.528 CNC(=O)CCc1ccccc1Br 11a_106832991635_100000740810 [0,1,0,0,0,0|1,0,2]=4 1528 B13R1.528 CNC(=O)CCc1ccccc1Br 1626a_100102657272_100000740810 [0,1,0,0,0,0|1,0,2]=4 1529 B13R1.528 CNC(=O)CCc1ccccc1Br 240690a_100102657272_100000740810 [0,1,0,0,0,0|1,0,2]=4 1530 B13R1.528 CNC(=O)CCc1ccccc1Br 527a_100102657272_100000740810 [0,1,0,0,0,0|1,0,2]=4 1531 B13R1.528 CNC(=O)CCc1ccccc1C 11a_106832991635_100000748742 [0,1,0,0,0,0|1,0,2]=4 1532 B13R1.528 CNC(=O)CCc1ccccc1C 1626a_100102657272_100000748742 [0,1,0,0,0,0|1,0,2]=4 1533 B13R1.528 CNC(=O)CCc1ccccc1C 240690a_100102657272_100000748742 [0,1,0,0,0,0|1,0,2]=4 1534 B13R1.528 CNC(=O)CCc1ccccc1C 527a_100102657272_100000748742 [0,1,0,0,0,0|1,0,2]=4 1535 B13R1.528 CNC(=O)CCc1ccccc1Cl 11a_106832991635_100000184300 [0,1,0,0,0,0|1,0,2]=4 1536 B13R1.528 CNC(=O)CCc1ccccc1Cl 1626a_100102657272_100000184300 [0,1,0,0,0,0|1,0,2]=4 1537 B13R1.528 CNC(=O)CCc1ccccc1Cl 240690a_100102657272_100000184300 [0,1,0,0,0,0|1,0,2]=4 1538 B13R1.528 CNC(=O)CCc1ccccc1Cl 527a_100102657272_100000184300 [0,1,0,0,0,0|1,0,2]=4 1539 B13R1.528 CNC(=O)CCc1ccccc1F 11a_106832991635_100000189703 [0,1,0,0,0,0|1,0,2]=4 1540 B13R1.528 CNC(=O)CCc1ccccc1F 1626a_100102657272_100000189703 [0,1,0,0,0,0|1,0,2]=4 1541 B13R1.528 CNC(=O)CCc1ccccc1F 240690a_100102657272_100000189703 [0,1,0,0,0,0|1,0,2]=4 1542 B13R1.528 CNC(=O)CCc1ccccc1F 527a_100102657272_100000189703 [0,1,0,0,0,0|1,0,2]=4 1543 B13R1.528 CNC(=O)CCc1ccccc1I 11a_106832991635_100000037306 [0,1,0,0,0,0|1,0,2]=4 1544 B13R1.528 CNC(=O)CCc1ccccc1I 1626a_100102657272_100000037306 [0,1,0,0,0,0|1,0,2]=4 1545 B13R1.528 CNC(=O)CCc1ccccc1I 240690a_100102657272_100000037306 [0,1,0,0,0,0|1,0,2]=4 1546 B13R1.528 CNC(=O)CCc1ccccc1I 527a_100102657272_100000037306 [0,1,0,0,0,0|1,0,2]=4 1547 B13R1.528 CNC(=O)CCc1ccccc1O 11a_106832991635_100000181328 [0,1,0,0,0,0|1,0,2]=4 1548 B13R1.528 CNC(=O)CCc1ccccc1O 240690a_100102657272_100000181328 [0,1,0,0,0,0|1,0,2]=4 1549 B13R1.528 CNC(=O)CCc1ccccc1O 527a_100102657272_100000181328 [0,1,0,0,0,0|1,0,2]=4 1550 B13R1.528 CNC(=O)CNc1ccccc1Br 34a_100000210017_100000183359 [0,1,0,0,0,0|2,0,1]=4 1551 B13R1.528 CNC(=O)CNc1ccccc1C 34a_100015192222_100000183359 [0,1,0,0,0,0|2,0,1]=4 1552 B13R1.528 CNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183359 [0,1,0,0,0,0|2,0,1]=4 1553 B13R1.528 CNC(=O)CNc1ccccc1F 34a_100000210422_100000183359 [0,1,0,0,0,0|2,0,1]=4 1554 B13R1.528 CNC(=O)CNc1ccccc1I 34a_100000210053_100000183359 [0,1,0,0,0,0|2,0,1]=4 1555 B13R1.528 CNC(=O)CNc1ccccc1O 34a_100000185747_100000183359 [0,1,0,0,0,0|2,0,1]=4 1556 B13R1.528 CNC(=O)COc1ccccc1Br 11a_106832991635_100000216496 [0,1,0,0,0,0|2,0,1]=4 1557 B13R1.528 CNC(=O)COc1ccccc1Br 1626a_100102657272_100000216496 [0,1,0,0,0,0|2,0,1]=4 1558 B13R1.528 CNC(=O)COc1ccccc1Br 240690a_100102657272_100000216496 [0,1,0,0,0,0|2,0,1]=4 1559 B13R1.528 CNC(=O)COc1ccccc1Br 34a_100000181306_100000183359 [0,1,0,0,0,0|2,0,1]=4 1560 B13R1.528 CNC(=O)COc1ccccc1Br 527a_100102657272_100000216496 [0,1,0,0,0,0|2,0,1]=4 1561 B13R1.528 CNC(=O)COc1ccccc1Br 7a_100000181306_100000183359 [0,1,0,0,0,0|2,0,1]=4 1562 B13R1.528 CNC(=O)COc1ccccc1C 11a_106832991635_100000182418 [0,1,0,0,0,0|2,0,1]=4 1563 B13R1.528 CNC(=O)COc1ccccc1C 1626a_100102657272_100000182418 [0,1,0,0,0,0|2,0,1]=4 1564 B13R1.528 CNC(=O)COc1ccccc1C 240690a_100102657272_100000182418 [0,1,0,0,0,0|2,0,1]=4 1565 B13R1.528 CNC(=O)COc1ccccc1C 34a_100000210338_100000183359 [0,1,0,0,0,0|2,0,1]=4 1566 B13R1.528 CNC(=O)COc1ccccc1C 527a_100102657272_100000182418 [0,1,0,0,0,0|2,0,1]=4 1567 B13R1.528 CNC(=O)COc1ccccc1C 7a_100000210338_100000183359 [0,1,0,0,0,0|2,0,1]=4 1568 B13R1.528 CNC(=O)COc1ccccc1Cl 11a_106832991635_100000185159 [0,1,0,0,0,0|2,0,1]=4 1569 B13R1.528 CNC(=O)COc1ccccc1Cl 1626a_100102657272_100000185159 [0,1,0,0,0,0|2,0,1]=4 1570 B13R1.528 CNC(=O)COc1ccccc1Cl 240690a_100102657272_100000185159 [0,1,0,0,0,0|2,0,1]=4 1571 B13R1.528 CNC(=O)COc1ccccc1Cl 34a_100000210172_100000183359 [0,1,0,0,0,0|2,0,1]=4 1572 B13R1.528 CNC(=O)COc1ccccc1Cl 527a_100102657272_100000185159 [0,1,0,0,0,0|2,0,1]=4 1573 B13R1.528 CNC(=O)COc1ccccc1Cl 7a_100000210172_100000183359 [0,1,0,0,0,0|2,0,1]=4 1574 B13R1.528 CNC(=O)COc1ccccc1F 11a_106832991635_100000182486 [0,1,0,0,0,0|2,0,1]=4 1575 B13R1.528 CNC(=O)COc1ccccc1F 1626a_100102657272_100000182486 [0,1,0,0,0,0|2,0,1]=4 1576 B13R1.528 CNC(=O)COc1ccccc1F 240690a_100102657272_100000182486 [0,1,0,0,0,0|2,0,1]=4 1577 B13R1.528 CNC(=O)COc1ccccc1F 34a_100000210171_100000183359 [0,1,0,0,0,0|2,0,1]=4 1578 B13R1.528 CNC(=O)COc1ccccc1F 527a_100102657272_100000182486 [0,1,0,0,0,0|2,0,1]=4 1579 B13R1.528 CNC(=O)COc1ccccc1F 7a_100000210171_100000183359 [0,1,0,0,0,0|2,0,1]=4 1580 B13R1.528 CNC(=O)COc1ccccc1I 34a_100000739446_100000183359 [0,1,0,0,0,0|2,0,1]=4 1581 B13R1.528 CNC(=O)COc1ccccc1I 7a_100000739446_100000183359 [0,1,0,0,0,0|2,0,1]=4 1582 B13R1.528 CNC(=O)COc1ccccc1N 34a_100000185747_100000183359 [0,1,0,0,0,0|2,0,1]=4 1583 B13R1.528 CNC(=O)COc1ccccc1N 7a_100000185747_100000183359 [0,1,0,0,0,0|2,0,1]=4 1584 B13R1.528 CNC(=O)COc1ccccc1O 240690a_100102657272_100000183020 [0,1,0,0,0,0|2,0,1]=4 1585 B13R1.528 CNC(=O)COc1ccccc1O 271570a_203496583355_200000148481 [0,1,0,0,0,0|2,0,1]=4 1586 B13R1.528 CNC(=O)COc1ccccc1O 527a_100102657272_100000183020 [0,1,0,0,0,0|2,0,1]=4 1587 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000183359_100000695589 [0,1,0,0,0,0|2,0,1]=4 1588 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000695589_100000183359 [0,1,0,0,0,0|2,0,1]=4 1589 B13R1.528 CNC(=O)CSc1ccccc1C 11a_106832991635_100000183026 [0,1,0,0,0,0|2,0,1]=4 1590 B13R1.528 CNC(=O)CSc1ccccc1C 1626a_100102657272_100000183026 [0,1,0,0,0,0|2,0,1]=4 1591 B13R1.528 CNC(=O)CSc1ccccc1C 240690a_100102657272_100000183026 [0,1,0,0,0,0|2,0,1]=4 1592 B13R1.528 CNC(=O)CSc1ccccc1C 527a_100102657272_100000183026 [0,1,0,0,0,0|2,0,1]=4 1593 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000183359_100000210755 [0,1,0,0,0,0|2,0,1]=4 1594 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000210755_100000183359 [0,1,0,0,0,0|2,0,1]=4 1595 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000183359_100000764095 [0,1,0,0,0,0|2,0,1]=4 1596 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000764095_100000183359 [0,1,0,0,0,0|2,0,1]=4 1597 B13R1.528 CNC(=O)CSc1ccccc1F 11a_106832991635_100000179528 [0,1,0,0,0,0|2,0,1]=4 1598 B13R1.528 CNC(=O)CSc1ccccc1F 1626a_100102657272_100000179528 [0,1,0,0,0,0|2,0,1]=4 1599 B13R1.528 CNC(=O)CSc1ccccc1F 240690a_100102657272_100000179528 [0,1,0,0,0,0|2,0,1]=4 1600 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100000183359_100011215700 [0,1,0,0,0,0|2,0,1]=4 1601 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100011215700_100000183359 [0,1,0,0,0,0|2,0,1]=4 1602 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000183359_100000210017 [0,1,0,0,0,0|2,0,1]=4 1603 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000210017_100000183359 [0,1,0,0,0,0|2,0,1]=4 1604 B13R1.528 CNC(=O)CSc1ccccc1O 240690a_100102657272_100000695322 [0,1,0,0,0,0|2,0,1]=4 1605 B13R1.528 CNC(=O)CSc1ccccc1O 527a_100102657272_100000695322 [0,1,0,0,0,0|2,0,1]=4 1606 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000183359_100000739446 [0,1,0,0,0,0|2,0,1]=4 1607 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000739446_100000183359 [0,1,0,0,0,0|2,0,1]=4 1608 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100000689332_106832991635 [0,1,0,0,0,0|2,0,1]=4 1609 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100102657272_100000689332 [0,1,0,0,0,0|2,0,1]=4 1610 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100000689332_100102657272 [0,1,0,0,0,0|2,0,1]=4 1611 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100102657272_100000689332 [0,1,0,0,0,0|2,0,1]=4 1612 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_100000689332_100102657272 [0,1,0,0,0,0|2,0,1]=4 1613 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_106832991638_100000689332 [0,1,0,0,0,0|2,0,1]=4 1614 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100000174972_106832991635 [0,1,0,0,0,0|2,0,1]=4 1615 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100102657272_100000174972 [0,1,0,0,0,0|2,0,1]=4 1616 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100000174972_100102657272 [0,1,0,0,0,0|2,0,1]=4 1617 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100102657272_100000174972 [0,1,0,0,0,0|2,0,1]=4 1618 B13R1.528 CNC(=O)NCc1ccccc1C 512a_100000174972_100102657272 [0,1,0,0,0,0|2,0,1]=4 1619 B13R1.528 CNC(=O)NCc1ccccc1C 512a_106832991638_100000174972 [0,1,0,0,0,0|2,0,1]=4 1620 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100000174879_106832991635 [0,1,0,0,0,0|2,0,1]=4 1621 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100102657272_100000174879 [0,1,0,0,0,0|2,0,1]=4 1622 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100000174879_100102657272 [0,1,0,0,0,0|2,0,1]=4 1623 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100102657272_100000174879 [0,1,0,0,0,0|2,0,1]=4 1624 B13R1.528 CNC(=O)NCc1ccccc1Cl 512a_106832991638_100000174879 [0,1,0,0,0,0|2,0,1]=4 1625 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100000174869_106832991635 [0,1,0,0,0,0|2,0,1]=4 1626 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100102657272_100000174869 [0,1,0,0,0,0|2,0,1]=4 1627 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100000174869_100102657272 [0,1,0,0,0,0|2,0,1]=4 1628 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100102657272_100000174869 [0,1,0,0,0,0|2,0,1]=4 1629 B13R1.528 CNC(=O)NCc1ccccc1F 512a_100000174869_100102657272 [0,1,0,0,0,0|2,0,1]=4 1630 B13R1.528 CNC(=O)NCc1ccccc1F 512a_106832991638_100000174869 [0,1,0,0,0,0|2,0,1]=4 1631 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100015347259_106832991635 [0,1,0,0,0,0|2,0,1]=4 1632 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100102657272_100015347259 [0,1,0,0,0,0|2,0,1]=4 1633 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100015347259_100102657272 [0,1,0,0,0,0|2,0,1]=4 1634 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100102657272_100015347259 [0,1,0,0,0,0|2,0,1]=4 1635 B13R1.528 CNC(=O)NCc1ccccc1I 512a_100015347259_100102657272 [0,1,0,0,0,0|2,0,1]=4 1636 B13R1.528 CNC(=O)NCc1ccccc1I 512a_106832991638_100015347259 [0,1,0,0,0,0|2,0,1]=4 1637 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100000185550_106832991635 [0,1,0,0,0,0|2,0,1]=4 1638 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100102657272_100000185550 [0,1,0,0,0,0|2,0,1]=4 1639 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100000185550_100102657272 [0,1,0,0,0,0|2,0,1]=4 1640 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100102657272_100000185550 [0,1,0,0,0,0|2,0,1]=4 1641 B13R1.528 CNC(=O)NCc1ccccc1O 512a_100000185550_100102657272 [0,1,0,0,0,0|2,0,1]=4 1642 B13R1.528 CNC(=O)NNc1ccccc1Br 273464a_100102657272_100000241748 [0,1,0,0,0,0|3,0,0]=4 1643 B13R1.528 CNC(=O)NNc1ccccc1Br 512a_106832991638_100000241748 [0,1,0,0,0,0|3,0,0]=4 1644 B13R1.528 CNC(=O)NNc1ccccc1C 273464a_100102657272_100000184220 [0,1,0,0,0,0|3,0,0]=4 1645 B13R1.528 CNC(=O)NNc1ccccc1C 512a_106832991638_100000184220 [0,1,0,0,0,0|3,0,0]=4 1646 B13R1.528 CNC(=O)NNc1ccccc1Cl 273464a_100102657272_100000683529 [0,1,0,0,0,0|3,0,0]=4 1647 B13R1.528 CNC(=O)NNc1ccccc1Cl 512a_106832991638_100000683529 [0,1,0,0,0,0|3,0,0]=4 1648 B13R1.528 CNC(=O)NNc1ccccc1F 273464a_100102657272_100000239246 [0,1,0,0,0,0|3,0,0]=4 1649 B13R1.528 CNC(=O)NNc1ccccc1F 512a_106832991638_100000239246 [0,1,0,0,0,0|3,0,0]=4 1650 B13R1.528 CNC(=O)NNc1ccccc1I 273464a_100102657272_100011218156 [0,1,0,0,0,0|3,0,0]=4 1651 B13R1.528 CNC(=O)NNc1ccccc1I 512a_106832991638_100011218156 [0,1,0,0,0,0|3,0,0]=4 1652 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [0,1,0,0,0,0|0,0,0]=1 1653 B13R1.528 COC(=O)CCc1ccccc1O 271570a_203496583355_100009815308 [0,1,0,0,0,0|0,0,2]=3 1654 B13R1.528 COC(=O)CNc1ccccc1Br 34a_100000210017_100000747449 [0,1,0,0,0,0|1,0,1]=3 1655 B13R1.528 COC(=O)CNc1ccccc1C 34a_100015192222_100000747449 [0,1,0,0,0,0|1,0,1]=3 1656 B13R1.528 COC(=O)CNc1ccccc1Cl 34a_100000185783_100000747449 [0,1,0,0,0,0|1,0,1]=3 1657 B13R1.528 COC(=O)CNc1ccccc1F 34a_100000210422_100000747449 [0,1,0,0,0,0|1,0,1]=3 1658 B13R1.528 COC(=O)CNc1ccccc1I 34a_100000210053_100000747449 [0,1,0,0,0,0|1,0,1]=3 1659 B13R1.528 COC(=O)CNc1ccccc1O 34a_100000185747_100000747449 [0,1,0,0,0,0|1,0,1]=3 1660 B13R1.528 COC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000747449 [0,1,0,0,0,0|2,0,1]=4 1661 B13R1.528 COC(=O)COc1ccccc1Br 34a_100000181306_100000747449 [0,1,0,0,0,0|1,0,1]=3 1662 B13R1.528 COC(=O)COc1ccccc1Br 7a_100000181306_100000747449 [0,1,0,0,0,0|1,0,1]=3 1663 B13R1.528 COC(=O)COc1ccccc1C 34a_100000210338_100000747449 [0,1,0,0,0,0|1,0,1]=3 1664 B13R1.528 COC(=O)COc1ccccc1C 7a_100000210338_100000747449 [0,1,0,0,0,0|1,0,1]=3 1665 B13R1.528 COC(=O)COc1ccccc1Cl 34a_100000210172_100000747449 [0,1,0,0,0,0|1,0,1]=3 1666 B13R1.528 COC(=O)COc1ccccc1Cl 7a_100000210172_100000747449 [0,1,0,0,0,0|1,0,1]=3 1667 B13R1.528 COC(=O)COc1ccccc1F 34a_100000210171_100000747449 [0,1,0,0,0,0|1,0,1]=3 1668 B13R1.528 COC(=O)COc1ccccc1F 7a_100000210171_100000747449 [0,1,0,0,0,0|1,0,1]=3 1669 B13R1.528 COC(=O)COc1ccccc1I 34a_100000739446_100000747449 [0,1,0,0,0,0|1,0,1]=3 1670 B13R1.528 COC(=O)COc1ccccc1I 7a_100000739446_100000747449 [0,1,0,0,0,0|1,0,1]=3 1671 B13R1.528 COC(=O)COc1ccccc1N 34a_100000185747_100000747449 [0,1,0,0,0,0|1,0,1]=3 1672 B13R1.528 COC(=O)COc1ccccc1N 7a_100000185747_100000747449 [0,1,0,0,0,0|1,0,1]=3 1673 B13R1.528 COC(=O)COc1ccccc1O 271570a_203496583355_200000173920 [0,1,0,0,0,0|1,0,1]=3 1674 B13R1.528 COC(=O)COc1cccnc1Br 34a_100000744436_100000747449 [0,1,0,0,0,0|2,0,1]=4 1675 B13R1.528 COC(=O)COc1cccnc1Br 7a_100000744436_100000747449 [0,1,0,0,0,0|2,0,1]=4 1676 B13R1.528 COC(=O)COc1cccnc1C 34a_100000745507_100000747449 [0,1,0,0,0,0|2,0,1]=4 1677 B13R1.528 COC(=O)COc1cccnc1C 7a_100000745507_100000747449 [0,1,0,0,0,0|2,0,1]=4 1678 B13R1.528 COC(=O)COc1cccnc1Cl 34a_100000757616_100000747449 [0,1,0,0,0,0|2,0,1]=4 1679 B13R1.528 COC(=O)COc1cccnc1Cl 7a_100000757616_100000747449 [0,1,0,0,0,0|2,0,1]=4 1680 B13R1.528 COC(=O)COc1cccnc1F 34a_100000061740_100000747449 [0,1,0,0,0,0|2,0,1]=4 1681 B13R1.528 COC(=O)COc1cccnc1F 7a_100000061740_100000747449 [0,1,0,0,0,0|2,0,1]=4 1682 B13R1.528 COC(=O)COc1cccnc1I 34a_100000034122_100000747449 [0,1,0,0,0,0|2,0,1]=4 1683 B13R1.528 COC(=O)COc1cccnc1I 7a_100000034122_100000747449 [0,1,0,0,0,0|2,0,1]=4 1684 B13R1.528 COC(=O)COc1cccnc1N 34a_100000211975_100000747449 [0,1,0,0,0,0|2,0,1]=4 1685 B13R1.528 COC(=O)COc1cccnc1N 7a_100000211975_100000747449 [0,1,0,0,0,0|2,0,1]=4 1686 B13R1.528 COC(=O)COc1cccoc1=O 34a_100000077404_100000747449 [0,1,0,0,0,0|2,0,1]=4 1687 B13R1.528 COC(=O)COc1cccoc1=O 7a_100000077404_100000747449 [0,1,0,0,0,0|2,0,1]=4 1688 B13R1.528 COC(=O)COc1ccncc1Br 34a_100011996408_100000747449 [0,1,0,0,0,0|2,0,1]=4 1689 B13R1.528 COC(=O)COc1ccncc1C 34a_100000694293_100000747449 [0,1,0,0,0,0|2,0,1]=4 1690 B13R1.528 COC(=O)COc1ccncc1Cl 34a_100011997054_100000747449 [0,1,0,0,0,0|2,0,1]=4 1691 B13R1.528 COC(=O)COc1ccncc1F 34a_200000081243_100000747449 [0,1,0,0,0,0|2,0,1]=4 1692 B13R1.528 COC(=O)COc1cnccc1C 34a_100011997053_100000747449 [0,1,0,0,0,0|2,0,1]=4 1693 B13R1.528 COC(=O)COc1cnccc1C 7a_100011997053_100000747449 [0,1,0,0,0,0|2,0,1]=4 1694 B13R1.528 COC(=O)COc1cnccc1Cl 34a_100011996695_100000747449 [0,1,0,0,0,0|2,0,1]=4 1695 B13R1.528 COC(=O)COc1cnccc1I 34a_100000050107_100000747449 [0,1,0,0,0,0|2,0,1]=4 1696 B13R1.528 COC(=O)COc1cnccc1N 34a_100000753702_100000747449 [0,1,0,0,0,0|2,0,1]=4 1697 B13R1.528 COC(=O)COc1coccc1=O 34a_100000060831_100000747449 [0,1,0,0,0,0|2,0,1]=4 1698 B13R1.528 COC(=O)COc1ncccc1Cl 34a_100011290957_100000747449 [0,1,0,0,0,0|2,0,1]=4 1699 B13R1.528 COC(=O)COc1ncccc1F 34a_100011219419_100000747449 [0,1,0,0,0,0|2,0,1]=4 1700 B13R1.528 COC(=O)COc1ncccc1N 34a_100000746358_100000747449 [0,1,0,0,0,0|2,0,1]=4 1701 B13R1.528 COC(=O)CSc1c[nH]ccc1=O 62a_100000747449_100009998708 [0,1,0,0,0,0|2,0,1]=4 1702 B13R1.528 COC(=O)CSc1c[nH]ccc1=O 62a_100009998708_100000747449 [0,1,0,0,0,0|2,0,1]=4 1703 B13R1.528 COC(=O)CSc1c[nH]ccc1=S 62a_100000747449_200012280681 [0,1,0,0,0,0|2,0,1]=4 1704 B13R1.528 COC(=O)CSc1c[nH]ccc1=S 62a_200012280681_100000747449 [0,1,0,0,0,0|2,0,1]=4 1705 B13R1.528 COC(=O)CSc1cccc[n+]1C 62a_100000747449_100000212160 [0,1,0,0,0,0|2,0,1]=4 1706 B13R1.528 COC(=O)CSc1cccc[n+]1[O-] 62a_100000747449_200000042595 [0,1,0,0,0,0|2,0,1]=4 1707 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000695589_100000747449 [0,1,0,0,0,0|1,0,1]=3 1708 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000747449_100000695589 [0,1,0,0,0,0|1,0,1]=3 1709 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000210755_100000747449 [0,1,0,0,0,0|1,0,1]=3 1710 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000747449_100000210755 [0,1,0,0,0,0|1,0,1]=3 1711 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000747449_100000764095 [0,1,0,0,0,0|1,0,1]=3 1712 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000764095_100000747449 [0,1,0,0,0,0|1,0,1]=3 1713 B13R1.528 COC(=O)CSc1ccccc1F 62a_100000747449_100011215700 [0,1,0,0,0,0|1,0,1]=3 1714 B13R1.528 COC(=O)CSc1ccccc1F 62a_100011215700_100000747449 [0,1,0,0,0,0|1,0,1]=3 1715 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000210017_100000747449 [0,1,0,0,0,0|1,0,1]=3 1716 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000747449_100000210017 [0,1,0,0,0,0|1,0,1]=3 1717 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000739446_100000747449 [0,1,0,0,0,0|1,0,1]=3 1718 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000747449_100000739446 [0,1,0,0,0,0|1,0,1]=3 1719 B13R1.528 COC(=O)CSc1cccnc1Br 62a_100000747449_100010202626 [0,1,0,0,0,0|2,0,1]=4 1720 B13R1.528 COC(=O)CSc1cccnc1Br 62a_100010202626_100000747449 [0,1,0,0,0,0|2,0,1]=4 1721 B13R1.528 COC(=O)CSc1cccnc1C 62a_100000747449_100000751574 [0,1,0,0,0,0|2,0,1]=4 1722 B13R1.528 COC(=O)CSc1cccnc1C 62a_100000751574_100000747449 [0,1,0,0,0,0|2,0,1]=4 1723 B13R1.528 COC(=O)CSc1cccnc1Cl 62a_100000036424_100000747449 [0,1,0,0,0,0|2,0,1]=4 1724 B13R1.528 COC(=O)CSc1cccnc1Cl 62a_100000747449_100000036424 [0,1,0,0,0,0|2,0,1]=4 1725 B13R1.528 COC(=O)CSc1cccnc1F 62a_100000747449_100009816115 [0,1,0,0,0,0|2,0,1]=4 1726 B13R1.528 COC(=O)CSc1cccnc1F 62a_100009816115_100000747449 [0,1,0,0,0,0|2,0,1]=4 1727 B13R1.528 COC(=O)CSc1cccnc1N 62a_100000045569_100000747449 [0,1,0,0,0,0|2,0,1]=4 1728 B13R1.528 COC(=O)CSc1cccnc1N 62a_100000747449_100000045569 [0,1,0,0,0,0|2,0,1]=4 1729 B13R1.528 COC(=O)CSc1cccnc1O 62a_100000747449_100000760158 [0,1,0,0,0,0|2,0,1]=4 1730 B13R1.528 COC(=O)CSc1cccnc1O 62a_100000760158_100000747449 [0,1,0,0,0,0|2,0,1]=4 1731 B13R1.528 COC(=O)CSc1ccncc1Br 62a_100000726257_100000747449 [0,1,0,0,0,0|2,0,1]=4 1732 B13R1.528 COC(=O)CSc1ccncc1Br 62a_100000747449_100000726257 [0,1,0,0,0,0|2,0,1]=4 1733 B13R1.528 COC(=O)CSc1ccncc1C 62a_100000747449_100000765111 [0,1,0,0,0,0|2,0,1]=4 1734 B13R1.528 COC(=O)CSc1ccncc1C 62a_100000765111_100000747449 [0,1,0,0,0,0|2,0,1]=4 1735 B13R1.528 COC(=O)CSc1ccncc1Cl 62a_100000708259_100000747449 [0,1,0,0,0,0|2,0,1]=4 1736 B13R1.528 COC(=O)CSc1ccncc1Cl 62a_100000747449_100000708259 [0,1,0,0,0,0|2,0,1]=4 1737 B13R1.528 COC(=O)CSc1ccncc1F 62a_100000047030_100000747449 [0,1,0,0,0,0|2,0,1]=4 1738 B13R1.528 COC(=O)CSc1ccncc1F 62a_100000747449_100000047030 [0,1,0,0,0,0|2,0,1]=4 1739 B13R1.528 COC(=O)CSc1ccncc1N 62a_100000747449_100000756074 [0,1,0,0,0,0|2,0,1]=4 1740 B13R1.528 COC(=O)CSc1ccncc1N 62a_100000756074_100000747449 [0,1,0,0,0,0|2,0,1]=4 1741 B13R1.528 COC(=O)CSc1ccncc1O 62a_100000747449_100009817591 [0,1,0,0,0,0|2,0,1]=4 1742 B13R1.528 COC(=O)CSc1ccncc1O 62a_100009817591_100000747449 [0,1,0,0,0,0|2,0,1]=4 1743 B13R1.528 COC(=O)CSc1cnccc1Br 62a_100000747449_100010138639 [0,1,0,0,0,0|2,0,1]=4 1744 B13R1.528 COC(=O)CSc1cnccc1Br 62a_100010138639_100000747449 [0,1,0,0,0,0|2,0,1]=4 1745 B13R1.528 COC(=O)CSc1cnccc1C 62a_100000747449_100000761580 [0,1,0,0,0,0|2,0,1]=4 1746 B13R1.528 COC(=O)CSc1cnccc1C 62a_100000761580_100000747449 [0,1,0,0,0,0|2,0,1]=4 1747 B13R1.528 COC(=O)CSc1cnccc1Cl 62a_100000747449_100009995489 [0,1,0,0,0,0|2,0,1]=4 1748 B13R1.528 COC(=O)CSc1cnccc1Cl 62a_100009995489_100000747449 [0,1,0,0,0,0|2,0,1]=4 1749 B13R1.528 COC(=O)CSc1cnccc1F 62a_100000747449_100009820683 [0,1,0,0,0,0|2,0,1]=4 1750 B13R1.528 COC(=O)CSc1cnccc1F 62a_100009820683_100000747449 [0,1,0,0,0,0|2,0,1]=4 1751 B13R1.528 COC(=O)CSc1cnccc1N 62a_100000047001_100000747449 [0,1,0,0,0,0|2,0,1]=4 1752 B13R1.528 COC(=O)CSc1cnccc1N 62a_100000747449_100000047001 [0,1,0,0,0,0|2,0,1]=4 1753 B13R1.528 COC(=O)CSc1ncccc1Br 62a_100000696092_100000747449 [0,1,0,0,0,0|2,0,1]=4 1754 B13R1.528 COC(=O)CSc1ncccc1Br 62a_100000747449_100000696092 [0,1,0,0,0,0|2,0,1]=4 1755 B13R1.528 COC(=O)CSc1ncccc1C 62a_100000747449_100000751373 [0,1,0,0,0,0|2,0,1]=4 1756 B13R1.528 COC(=O)CSc1ncccc1C 62a_100000751373_100000747449 [0,1,0,0,0,0|2,0,1]=4 1757 B13R1.528 COC(=O)CSc1ncccc1Cl 62a_100000747449_100011356963 [0,1,0,0,0,0|2,0,1]=4 1758 B13R1.528 COC(=O)CSc1ncccc1Cl 62a_100011356963_100000747449 [0,1,0,0,0,0|2,0,1]=4 1759 B13R1.528 COC(=O)CSc1ncccc1F 62a_100000685392_100000747449 [0,1,0,0,0,0|2,0,1]=4 1760 B13R1.528 COC(=O)CSc1ncccc1F 62a_100000747449_100000685392 [0,1,0,0,0,0|2,0,1]=4 1761 B13R1.528 COC(=O)CSc1ncccc1N 62a_100000688686_100000747449 [0,1,0,0,0,0|2,0,1]=4 1762 B13R1.528 COC(=O)CSc1ncccc1N 62a_100000747449_100000688686 [0,1,0,0,0,0|2,0,1]=4 1763 B13R1.528 COC(=O)CSc1ncccc1O 62a_100000034122_100000747449 [0,1,0,0,0,0|2,0,1]=4 1764 B13R1.528 COC(=O)CSc1ncccc1O 62a_100000747449_100000034122 [0,1,0,0,0,0|2,0,1]=4 1765 B13R1.528 O=C(C=Cc1ccccc1Br)CF 1458a_100000719032_100015361967 [0,1,0,0,0,0|2,0,0]=3 1766 B13R1.528 O=C(C=Cc1ccccc1Cl)CF 1458a_100000720304_100015361967 [0,1,0,0,0,0|2,0,0]=3 1767 B13R1.528 O=C(C=Cc1ccccc1F)CF 1458a_100016256065_100015361967 [0,1,0,0,0,0|2,0,0]=3 1768 B13R1.528 O=C(C=Cc1ccccc1O)CF 1458a_100016263591_100015361967 [0,1,0,0,0,0|2,0,0]=3 1769 B11R0.70 C=CCNC(=O)C=CC(=O)OC 1626a_100020586998_100016283253 [0,0,1,0,0,0|2,0,1]=4 1770 B13R2.10 Brc1cc([nH]n1)c2ccccc2 271570a_100011218836_100160470719 [0,0,0,1,0,0|3,0,0]=4 1771 B13R2.10 Cc1cc(cs1)c2ccccc2 271570a_100000699828_100000210277 [0,0,0,1,0,0|1,1,1]=4 1772 B13R2.10 Cc1cc(cs1)c2ccccc2 271570a_100011218836_100000759034 [0,0,0,1,0,0|1,1,1]=4 1773 B13R2.10 Cc1cc(n[nH]1)c2ccccc2 271570a_100009872134_100000210277 [0,0,0,1,0,0|3,0,0]=4 1774 B13R2.10 Cc1cc(n[nH]1)c2ccccc2 271570a_100011218836_100015199547 [0,0,0,1,0,0|3,0,0]=4 1775 B13R2.10 Cc1cc(sn1)c2ccccc2 271570a_100011218836_100009815735 [0,0,0,1,0,0|3,0,0]=4 1776 B13R2.10 Cc1csc(c1)c2ccccc2 271570a_100000038307_100000210277 [0,0,0,1,0,0|3,0,0]=4 1777 B13R2.10 Cc1csc(c1)c2ccccc2 271570a_100011218836_100009876951 [0,0,0,1,0,0|3,0,0]=4 1778 B13R2.10 Cc1nc(no1)c2ccccc2 270196a_100000210280_100000070787 [0,0,0,1,0,0|3,0,0]=4 1779 B13R2.10 Cc1nc(no1)c2ccccc2 271570a_100011218836_100012003639 [0,0,0,1,0,0|3,0,0]=4 1780 B13R2.10 Nc1cc(n[nH]1)c2ccccc2 271570a_100011218836_100009822546 [0,0,0,1,0,0|3,0,0]=4 1781 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [0,0,0,1,0,0|1,0,0]=2 1782 B13R2.10 O=C1C=C(CC1)c2ccccn2 271570a_100010737933_100011216584 [0,0,0,1,0,0|2,0,0]=3 1783 B13R2.10 O=C1C=C(CC1)c2cccnc2 271570a_100010737933_100000752921 [0,0,0,1,0,0|2,0,0]=3 1784 B13R2.10 O=C1C=C(CC1)c2cccnn2 271570a_100010737933_100016991348 [0,0,0,1,0,0|3,0,0]=4 1785 B13R2.10 O=C1C=C(CC1)c2ccncc2 271570a_100010737933_100000035832 [0,0,0,1,0,0|2,0,0]=3 1786 B13R2.10 O=C1C=C(CC1)c2ccncn2 271570a_100010737933_100000703185 [0,0,0,1,0,0|3,0,0]=4 1787 B13R2.10 O=C1C=C(CC1)c2ccnnc2 271570a_100010737933_100000732662 [0,0,0,1,0,0|3,0,0]=4 1788 B13R2.10 O=C1C=C(CC1)c2cnccn2 271570a_100010737933_100000758340 [0,0,0,1,0,0|3,0,0]=4 1789 B13R2.10 O=C1C=C(CC1)c2cncnc2 271570a_100010737933_100011206942 [0,0,0,1,0,0|3,0,0]=4 1790 B13R2.10 O=C1C=C(CC1)c2ncccn2 271570a_100010737933_100000211032 [0,0,0,1,0,0|3,0,0]=4 1791 B13R2.10 Oc1cc(n[nH]1)c2ccccc2 271570a_203496583355_114929179799 [0,0,0,1,0,0|2,0,1]=4 1792 B13R2.10 Oc1nc(no1)c2ccccc2 270196a_100000210280_100015183105 [0,0,0,1,0,0|2,0,1]=4 1793 B13R2.27 O=C1CCC1Nc2ccccc2 34a_100000106764_100009892977 [0,0,0,1,0,0|2,0,1]=4 1794 B13R2.27 O=C1CCC1Oc2ccccc2 34a_100000210340_100009892977 [0,0,0,1,0,0|2,0,1]=4 1795 B13R2.27 O=C1CCC1Oc2ccccc2 7a_100000210340_100009892977 [0,0,0,1,0,0|2,0,1]=4 1796 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100000719477_100009892977 [0,0,0,1,0,0|2,0,1]=4 1797 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100009892977_100000041952 [0,0,0,1,0,0|2,0,1]=4 1798 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [0,0,0,1,0,0|1,0,1]=3 1799 B13R2.32 Cc1c(ccc2c1cccn2)O 271570a_203496583355_200010137439 [0,0,0,1,0,0|2,0,1]=4 1800 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [0,0,0,1,0,0|2,0,1]=4 1801 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [0,0,0,1,0,0|3,0,0]=4 1802 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [0,0,0,1,0,0|2,0,1]=4 1803 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [0,0,0,1,0,0|3,0,0]=4 1804 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [0,0,0,1,0,0|3,0,0]=4 1805 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [0,0,0,1,0,0|2,0,1]=4 1806 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [0,0,0,1,0,0|2,0,1]=4 1807 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [0,0,0,1,0,0|2,0,1]=4 1808 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [0,0,0,1,0,0|2,0,1]=4 1809 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [0,0,0,1,0,0|2,0,1]=4 1810 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [0,0,0,1,0,0|2,0,1]=4 1811 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [0,0,0,1,0,0|2,0,0]=3 1812 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [0,0,0,1,0,0|2,0,0]=3 1813 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [0,0,0,1,0,0|2,0,0]=3 1814 B13R2.57 CNc1ccc2cccnc2c1 34a_100102887122_200000210301 [0,0,0,1,0,0|3,0,0]=4 1815 B13R2.57 CNc1ccc2cccnc2n1 27a_100102657272_100000075685 [0,0,0,1,0,0|3,0,0]=4 1816 B13R2.57 CNc1ccc2ccncc2n1 27a_100102657272_100000020162 [0,0,0,1,0,0|3,0,0]=4 1817 B13R2.57 CNc1ccc2cnccc2c1 34a_100000039641_200000210301 [0,0,0,1,0,0|3,0,0]=4 1818 B13R2.57 CNc1ccc2ncccc2c1 34a_100011198106_200000210301 [0,0,0,1,0,0|3,0,0]=4 1819 B13R2.57 CNc1ccc2ncccc2n1 27a_100102657272_100000073381 [0,0,0,1,0,0|3,0,0]=4 1820 B13R2.57 CNc1cnc2ccccc2n1 27a_100102657272_100000756483 [0,0,0,1,0,0|3,0,0]=4 1821 B13R2.57 CNc1ncc2ccccc2n1 27a_100102657272_100000097389 [0,0,0,1,0,0|3,0,0]=4 1822 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [0,0,0,1,0,0|1,0,0]=2 1823 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [0,0,0,1,0,0|1,0,0]=2 1824 B13R2.57 COc1ccc2cccnc2c1 34a_100011216045_200000210301 [0,0,0,1,0,0|2,0,0]=3 1825 B13R2.57 COc1ccc2ccncc2c1 7a_100000752006_200000210301 [0,0,0,1,0,0|2,0,0]=3 1826 B13R2.57 COc1ccc2cnccc2c1 34a_100000046372_200000210301 [0,0,0,1,0,0|2,0,0]=3 1827 B13R2.57 COc1ccc2cnccc2c1 7a_100000046372_200000210301 [0,0,0,1,0,0|2,0,0]=3 1828 B13R2.57 COc1ccc2ncccc2c1 34a_100011215586_200000210301 [0,0,0,1,0,0|2,0,0]=3 1829 B13R2.57 COc1ccc2ncccc2c1 7a_100011215586_200000210301 [0,0,0,1,0,0|2,0,0]=3 1830 B13R2.57 COc1ccc2nccnc2c1 34a_100000694412_200000210301 [0,0,0,1,0,0|3,0,0]=4 1831 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [0,0,0,1,0,0|2,0,0]=3 1832 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [0,0,0,1,0,0|2,0,0]=3 1833 B13R2.57 CSc1cc2ccccc2cn1 62a_100009816522_200000210301 [0,0,0,1,0,0|2,1,0]=4 1834 B13R2.57 CSc1cc2ccccc2cn1 62a_200000210301_100000047361 [0,0,0,1,0,0|2,1,0]=4 1835 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [0,0,0,1,0,0|1,1,0]=3 1836 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [0,0,0,1,0,0|1,1,0]=3 1837 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [0,0,0,1,0,0|1,1,0]=3 1838 B13R2.57 CSc1ccc2cccnc2c1 62a_200000210301_100009816655 [0,0,0,1,0,0|2,1,0]=4 1839 B13R2.57 CSc1ccc2cccnc2n1 62a_100000075685_200000210301 [0,0,0,1,0,0|2,1,0]=4 1840 B13R2.57 CSc1ccc2cccnc2n1 62a_200000210301_100000075685 [0,0,0,1,0,0|2,1,0]=4 1841 B13R2.57 CSc1ccc2ccncc2c1 62a_100000686496_200000210301 [0,0,0,1,0,0|2,1,0]=4 1842 B13R2.57 CSc1ccc2ccncc2c1 62a_200000210301_100000686496 [0,0,0,1,0,0|2,1,0]=4 1843 B13R2.57 CSc1ccc2ccncc2n1 62a_200000210301_100000020162 [0,0,0,1,0,0|2,1,0]=4 1844 B13R2.57 CSc1ccc2cnccc2c1 62a_100009816743_200000210301 [0,0,0,1,0,0|2,1,0]=4 1845 B13R2.57 CSc1ccc2cnccc2c1 62a_200000210301_100009816743 [0,0,0,1,0,0|2,1,0]=4 1846 B13R2.57 CSc1ccc2ncccc2c1 62a_100011215947_200000210301 [0,0,0,1,0,0|2,1,0]=4 1847 B13R2.57 CSc1ccc2ncccc2c1 62a_200000210301_100011215947 [0,0,0,1,0,0|2,1,0]=4 1848 B13R2.57 CSc1ccc2ncccc2n1 62a_200000210301_100000073381 [0,0,0,1,0,0|2,1,0]=4 1849 B13R2.57 CSc1cnc2ccccc2c1 62a_200000210301_100000737414 [0,0,0,1,0,0|2,1,0]=4 1850 B13R2.57 CSc1cnc2ccccc2n1 62a_100000756483_200000210301 [0,0,0,1,0,0|2,1,0]=4 1851 B13R2.57 CSc1cnc2ccccc2n1 62a_200000210301_100000756483 [0,0,0,1,0,0|2,1,0]=4 1852 B13R2.57 CSc1ncc2ccccc2n1 62a_200000210301_100000097389 [0,0,0,1,0,0|2,1,0]=4 1853 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [0,0,0,1,0,0|2,0,0]=3 1854 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [0,0,0,1,0,0|2,0,0]=3 1855 B13R2.57 [13CH3]Nc1ccc2cccnc2c1 34a_100102887122_200025704644 [0,0,0,1,0,0|3,0,0]=4 1856 B13R2.57 [13CH3]Nc1ccc2cnccc2c1 34a_100000039641_200025704644 [0,0,0,1,0,0|3,0,0]=4 1857 B13R2.57 [13CH3]Nc1ccc2ncccc2c1 34a_100011198106_200025704644 [0,0,0,1,0,0|3,0,0]=4 1858 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [0,0,0,1,0,0|1,0,0]=2 1859 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [0,0,0,1,0,0|1,0,0]=2 1860 B13R2.57 [13CH3]Oc1ccc2cccnc2c1 34a_100011216045_200025704644 [0,0,0,1,0,0|2,0,0]=3 1861 B13R2.57 [13CH3]Oc1ccc2ccncc2c1 7a_100000752006_200025704644 [0,0,0,1,0,0|2,0,0]=3 1862 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 34a_100000046372_200025704644 [0,0,0,1,0,0|2,0,0]=3 1863 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 7a_100000046372_200025704644 [0,0,0,1,0,0|2,0,0]=3 1864 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 34a_100011215586_200025704644 [0,0,0,1,0,0|2,0,0]=3 1865 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 7a_100011215586_200025704644 [0,0,0,1,0,0|2,0,0]=3 1866 B13R2.57 [13CH3]Oc1ccc2nccnc2c1 34a_100000694412_200025704644 [0,0,0,1,0,0|3,0,0]=4 1867 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [0,0,0,1,0,0|2,0,0]=3 1868 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [0,0,0,1,0,0|2,0,0]=3 1869 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_100009816522_200025704644 [0,0,0,1,0,0|2,1,0]=4 1870 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_200025704644_100000047361 [0,0,0,1,0,0|2,1,0]=4 1871 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [0,0,0,1,0,0|1,1,0]=3 1872 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [0,0,0,1,0,0|1,1,0]=3 1873 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [0,0,0,1,0,0|1,1,0]=3 1874 B13R2.57 [13CH3]Sc1ccc2cccnc2c1 62a_200025704644_100009816655 [0,0,0,1,0,0|2,1,0]=4 1875 B13R2.57 [13CH3]Sc1ccc2cccnc2n1 62a_100000075685_200025704644 [0,0,0,1,0,0|2,1,0]=4 1876 B13R2.57 [13CH3]Sc1ccc2cccnc2n1 62a_200025704644_100000075685 [0,0,0,1,0,0|2,1,0]=4 1877 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_100000686496_200025704644 [0,0,0,1,0,0|2,1,0]=4 1878 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_200025704644_100000686496 [0,0,0,1,0,0|2,1,0]=4 1879 B13R2.57 [13CH3]Sc1ccc2ccncc2n1 62a_200025704644_100000020162 [0,0,0,1,0,0|2,1,0]=4 1880 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_100009816743_200025704644 [0,0,0,1,0,0|2,1,0]=4 1881 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_200025704644_100009816743 [0,0,0,1,0,0|2,1,0]=4 1882 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_100011215947_200025704644 [0,0,0,1,0,0|2,1,0]=4 1883 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_200025704644_100011215947 [0,0,0,1,0,0|2,1,0]=4 1884 B13R2.57 [13CH3]Sc1ccc2ncccc2n1 62a_200025704644_100000073381 [0,0,0,1,0,0|2,1,0]=4 1885 B13R2.57 [13CH3]Sc1cnc2ccccc2c1 62a_200025704644_100000737414 [0,0,0,1,0,0|2,1,0]=4 1886 B13R2.57 [13CH3]Sc1cnc2ccccc2n1 62a_100000756483_200025704644 [0,0,0,1,0,0|2,1,0]=4 1887 B13R2.57 [13CH3]Sc1cnc2ccccc2n1 62a_200025704644_100000756483 [0,0,0,1,0,0|2,1,0]=4 1888 B13R2.57 [13CH3]Sc1ncc2ccccc2n1 62a_200025704644_100000097389 [0,0,0,1,0,0|2,1,0]=4 1889 B13R2.15272 CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210202 [0,0,0,1,0,0|1,0,2]=4 1890 B13R2.15272 CNC(=O)C1Cc2c1cccc2 11a_106832991635_200000238571 [0,0,0,1,0,0|1,0,2]=4 1891 B13R2.15272 CNC(=O)C1Cc2c1cccc2 1626a_100102657272_200000238571 [0,0,0,1,0,0|1,0,2]=4 1892 B13R2.15272 CNC(=O)C1Cc2c1cccc2 240690a_100102657272_200000238571 [0,0,0,1,0,0|1,0,2]=4 1893 B13R2.15272 CNC(=O)C1Cc2c1cccc2 527a_100102657272_200000238571 [0,0,0,1,0,0|1,0,2]=4 1894 B11R1.25 CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210202 [0,0,0,0,1,0|3,0,0]=4 1895 B11R1.25 CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210202 [0,0,0,0,1,0|2,0,0]=3 1896 B11R1.25 CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210202 [0,0,0,0,1,0|2,0,0]=3 1897 B11R1.25 CCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210202 [0,0,0,0,1,0|2,0,0]=3 1898 B11R1.25 CCC(=O)C=Cc1cscn1 1458a_200000747928_100000210202 [0,0,0,0,1,0|3,0,0]=4 1899 B11R1.25 CCC(=O)C=Cc1nccs1 1458a_100102558208_100000210202 [0,0,0,0,1,0|3,0,0]=4 1900 B11R1.25 CCC(=O)C=Cc1nccs1 6a_100000750902_100000211110 [0,0,0,0,1,0|3,0,0]=4 1901 B11R1.25 CNC(=O)C=Cc1c[nH]cn1 240690a_100102657272_100102678534 [0,0,0,0,1,0|3,0,0]=4 1902 B11R1.25 CNC(=O)C=Cc1cccs1 11a_106832991635_100000182767 [0,0,0,0,1,0|2,0,0]=3 1903 B11R1.25 CNC(=O)C=Cc1cccs1 1626a_100102657272_100000182767 [0,0,0,0,1,0|2,0,0]=3 1904 B11R1.25 CNC(=O)C=Cc1cccs1 240690a_100102657272_100000182767 [0,0,0,0,1,0|2,0,0]=3 1905 B11R1.25 CNC(=O)C=Cc1ccoc1 11a_106832991635_100000238621 [0,0,0,0,1,0|2,0,0]=3 1906 B11R1.25 CNC(=O)C=Cc1ccoc1 1626a_100102657272_100000238621 [0,0,0,0,1,0|2,0,0]=3 1907 B11R1.25 CNC(=O)C=Cc1ccoc1 240690a_100102657272_100000238621 [0,0,0,0,1,0|2,0,0]=3 1908 B11R1.25 CNC(=O)C=Cc1ccsc1 11a_106832991635_100000698588 [0,0,0,0,1,0|2,0,0]=3 1909 B11R1.25 CNC(=O)C=Cc1ccsc1 1626a_100102657272_100000698588 [0,0,0,0,1,0|2,0,0]=3 1910 B11R1.25 CNC(=O)C=Cc1ccsc1 240690a_100102657272_100000698588 [0,0,0,0,1,0|2,0,0]=3 1911 B11R1.25 CNC(=O)C=Cc1ccsc1 527a_100102657272_100000698588 [0,0,0,0,1,0|2,0,0]=3 1912 B11R1.25 CNC(=O)C=Cc1cscn1 11a_106832991635_200000747928 [0,0,0,0,1,0|3,0,0]=4 1913 B11R1.25 CNC(=O)C=Cc1cscn1 1626a_100102657272_200000747928 [0,0,0,0,1,0|3,0,0]=4 1914 B11R1.25 CNC(=O)C=Cc1cscn1 240690a_100102657272_200000747928 [0,0,0,0,1,0|3,0,0]=4 1915 B11R1.25 CNC(=O)C=Cc1nccs1 11a_106832991635_100102558208 [0,0,0,0,1,0|3,0,0]=4 1916 B11R1.25 CNC(=O)C=Cc1nccs1 240690a_100102657272_100102558208 [0,0,0,0,1,0|3,0,0]=4 1917 B11R1.25 COC(=O)COc1ccsc1 34a_100000106738_100000747449 [0,0,0,0,1,0|2,0,1]=4 1918 B11R1.25 COC(=O)COc1ccsc1 7a_100000106738_100000747449 [0,0,0,0,1,0|2,0,1]=4 1919 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,0,0,0,1,0|2,0,1]=4 1920 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,0,0,0,1,0|2,0,1]=4 1921 B11R1.25 COC(=O)CSc1cccs1 62a_100000747449_100011215356 [0,0,0,0,1,0|2,0,1]=4 1922 B11R1.25 COC(=O)CSc1cccs1 62a_100011215356_100000747449 [0,0,0,0,1,0|2,0,1]=4 1923 B11R1.25 COC(=O)CSc1ccoc1 62a_100000747449_100011215275 [0,0,0,0,1,0|2,0,1]=4 1924 B11R1.25 COC(=O)CSc1ccoc1 62a_100011215275_100000747449 [0,0,0,0,1,0|2,0,1]=4 1925 B11R1.25 COC(=O)CSc1ccsc1 62a_100000738268_100000747449 [0,0,0,0,1,0|2,0,1]=4 1926 B11R1.25 COC(=O)CSc1ccsc1 62a_100000747449_100000738268 [0,0,0,0,1,0|2,0,1]=4 1927 B11R1.25 O=C(C=Cc1cccs1)CF 1458a_100000182767_100015361967 [0,0,0,0,1,0|3,0,0]=4 1928 B11R1.25 O=C(C=Cc1ccoc1)CF 1458a_100000238621_100015361967 [0,0,0,0,1,0|3,0,0]=4 1929 B11R1.25 O=C(C=Cc1ccsc1)CF 1458a_100000698588_100015361967 [0,0,0,0,1,0|3,0,0]=4 1930 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,0,0,0,1,0|1,0,2]=4 1931 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,0,0,1,0|1,0,2]=4 1932 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,0,0,0,1,0|2,0,1]=4 1933 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,0,0,0,1,0|2,0,1]=4 1934 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,0,0,0,1,0|1,0,2]=4 1935 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,0,0,0,1,0|1,0,2]=4 1936 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,0,0,0,1,0|2,0,1]=4 1937 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,0,0,1,0|1,0,1]=3 1938 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,0,0,0,1,0|2,0,1]=4 1939 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,0,0,0,1,0|2,0,1]=4 1940 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,0,0,0,1,0|2,0,1]=4 1941 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,0,0,0,1,0|2,0,1]=4 1942 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,0,0,0,1,0|2,0,1]=4 1943 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,0,0,1,0|2,0,0]=3 1944 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,0,0,1,0|2,0,0]=3 1945 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,0,0,1,0|2,0,0]=3 1946 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,0,0,1,0|2,0,0]=3 1947 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,0,0,0,1,0|2,0,1]=4 1948 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,0,0,0,1,0|2,0,1]=4 1949 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,0,0,0,1,0|2,0,1]=4 1950 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,0,0,0,1,0|2,0,1]=4 1951 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,0,0,0,1,0|2,0,1]=4 1952 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,0,0,0,1,0|2,0,1]=4 1953 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,0,0,0,1,0|2,0,1]=4 1954 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,0,0,0,1,0|2,0,1]=4 1955 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,0,0,0,1,0|2,0,1]=4 1956 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,0,0,0,1,0|2,0,0]=3 1957 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,0,0,0,1,0|1,0,2]=4 1958 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,0,0,0,1,0|1,0,2]=4 1959 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,0,0,0,1,0|1,0,2]=4 1960 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,0,0,0,1,0|2,0,1]=4 1961 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,0,0,0,1,0|2,0,1]=4 1962 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,0,0,0,1,0|2,0,1]=4 1963 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,0,0,0,1,0|3,0,0]=4 1964 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,0,0,0,1,0|3,0,0]=4 1965 B13R1.718 C#CC(=O)C/C=C/c1ccccc1 1458a_100000211873_100016265936 [0,0,0,0,0,1|1,0,1]=3 1966 B13R1.718 C/C=C(\C)/C=NNc1ccccc1 4a_100015195140_100020587592 [0,0,0,0,0,1|3,0,0]=4 1967 B13R1.718 C=CC(=O)C/C=C/c1ccccc1 1458a_100000185746_100016265936 [0,0,0,0,0,1|1,0,1]=3 1968 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100000210414_100016265936 [0,0,0,0,0,1|1,0,0]=2 1969 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210202 [0,0,0,0,0,1|1,0,0]=2 1970 B13R1.718 CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210202 [0,0,0,0,0,1|1,0,0]=2 1971 B13R1.718 CCC(=O)CC#Cc1ccccc1 1458a_100000210414_100011352542 [0,0,0,0,0,1|1,0,2]=4 1972 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,0,0,0,0,1|1,0,2]=4 1973 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,0,0,0,0,1|1,0,2]=4 1974 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210202 [0,0,0,0,0,1|1,0,2]=4 1975 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000210414_100000184471 [0,0,0,0,0,1|1,0,2]=4 1976 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000182436_100000210202 [0,0,0,0,0,1|1,0,2]=4 1977 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000210414_100000246102 [0,0,0,0,0,1|1,0,2]=4 1978 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [0,0,0,0,0,1|1,0,2]=4 1979 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [0,0,0,0,0,1|1,0,2]=4 1980 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [0,0,0,0,0,1|1,0,2]=4 1981 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000150264_100000210202 [0,0,0,0,0,1|1,0,2]=4 1982 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000210414_200011217039 [0,0,0,0,0,1|1,0,2]=4 1983 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000211182_100000747405 [0,0,0,0,0,1|1,0,2]=4 1984 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000747405_100015291786 [0,0,0,0,0,1|1,0,2]=4 1985 B13R1.718 CCC(=O)NCCc1ccccc1 11a_100000106460_100000210414 [0,0,0,0,0,1|1,0,2]=4 1986 B13R1.718 CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210414 [0,0,0,0,0,1|1,0,2]=4 1987 B13R1.718 CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210414 [0,0,0,0,0,1|1,0,2]=4 1988 B13R1.718 CCC(=O)NCCc1ccccc1 527a_100000106460_100000210414 [0,0,0,0,0,1|1,0,2]=4 1989 B13R1.718 CCC(=O)NN=Cc1ccccc1 4a_100000183195_100015611070 [0,0,0,0,0,1|2,0,0]=3 1990 B13R1.718 CCC(=O)NN=Cc1ccccn1 4a_100000183195_100000209966 [0,0,0,0,0,1|3,0,0]=4 1991 B13R1.718 CCC(=O)NN=Cc1cccnc1 4a_100000183195_100000209961 [0,0,0,0,0,1|3,0,0]=4 1992 B13R1.718 CCC(=O)NN=Cc1ccncc1 4a_100000183195_100000186114 [0,0,0,0,0,1|3,0,0]=4 1993 B13R1.718 CCC(=O)NNCc1ccccc1 22a_100000007032_100000210414 [0,0,0,0,0,1|2,0,1]=4 1994 B13R1.718 CCN(C)C/C=C/c1ccccc1 2230a_100000225621_100016265936 [0,0,0,0,0,1|3,0,0]=4 1995 B13R1.718 CCN(C)C/C=C/c1ccccc1 2230a_100020603567_200000210301 [0,0,0,0,0,1|3,0,0]=4 1996 B13R1.718 CCN(C)C/C=C/c1ccccc1 269982a_100000225621_100016265936 [0,0,0,0,0,1|3,0,0]=4 1997 B13R1.718 CCN(C)C/C=C/c1ccccc1 269982a_100020603567_200000210301 [0,0,0,0,0,1|3,0,0]=4 1998 B13R1.718 CCN([13CH3])C/C=C/c1ccccc1 2230a_100020603567_200025704644 [0,0,0,0,0,1|3,0,0]=4 1999 B13R1.718 CCN([13CH3])C/C=C/c1ccccc1 269982a_100020603567_200025704644 [0,0,0,0,0,1|3,0,0]=4 2000 B13R1.718 CNC(=O)C/C=C/c1ccccc1 11a_106832991635_100011219626 [0,0,0,0,0,1|1,0,0]=2 2001 B13R1.718 CNC(=O)C/C=C/c1ccccc1 1626a_100102657272_100011219626 [0,0,0,0,0,1|1,0,0]=2 2002 B13R1.718 CNC(=O)C/C=C/c1ccccc1 240690a_100102657272_100011219626 [0,0,0,0,0,1|1,0,0]=2 2003 B13R1.718 CNC(=O)C=CSc1ccccc1 11a_106832991635_100016262050 [0,0,0,0,0,1|1,0,0]=2 2004 B13R1.718 CNC(=O)C=CSc1ccccc1 1626a_100102657272_100016262050 [0,0,0,0,0,1|1,0,0]=2 2005 B13R1.718 CNC(=O)C=CSc1ccccc1 240690a_100102657272_100016262050 [0,0,0,0,0,1|1,0,0]=2 2006 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,0,0,0,0,1|1,0,2]=4 2007 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,0,0,0,0,1|1,0,2]=4 2008 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,0,0,0,0,1|1,0,2]=4 2009 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,0,0,0,0,1|1,0,2]=4 2010 B13R1.718 CNC(=O)CCNc1ccccc1 34a_100000106764_100012179268 [0,0,0,0,0,1|1,0,2]=4 2011 B13R1.718 CNC(=O)CCOc1ccccc1 11a_106832991635_100000182761 [0,0,0,0,0,1|1,0,2]=4 2012 B13R1.718 CNC(=O)CCOc1ccccc1 1626a_100102657272_100000182761 [0,0,0,0,0,1|1,0,2]=4 2013 B13R1.718 CNC(=O)CCOc1ccccc1 240690a_100102657272_100000182761 [0,0,0,0,0,1|1,0,2]=4 2014 B13R1.718 CNC(=O)CCOc1ccccc1 34a_100000210340_100012179268 [0,0,0,0,0,1|1,0,2]=4 2015 B13R1.718 CNC(=O)CCOc1ccccc1 7a_100000210340_100000737683 [0,0,0,0,0,1|1,0,2]=4 2016 B13R1.718 CNC(=O)CCSc1ccccc1 11a_106832991635_100000182436 [0,0,0,0,0,1|1,0,2]=4 2017 B13R1.718 CNC(=O)CCSc1ccccc1 1626a_100102657272_100000182436 [0,0,0,0,0,1|1,0,2]=4 2018 B13R1.718 CNC(=O)CCSc1ccccc1 240690a_100102657272_100000182436 [0,0,0,0,0,1|1,0,2]=4 2019 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000719477_100000737683 [0,0,0,0,0,1|1,0,2]=4 2020 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000737683_100000041952 [0,0,0,0,0,1|1,0,2]=4 2021 B13R1.718 CNC(=O)CNCc1ccccc1 207a_100000693194_100015611070 [0,0,0,0,0,1|1,0,2]=4 2022 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100000693194_100015291786 [0,0,0,0,0,1|1,0,2]=4 2023 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100015324214_100000183359 [0,0,0,0,0,1|1,0,2]=4 2024 B13R1.718 CNC(=O)CNCc1ccccc1 270004a_100000693194_100015611070 [0,0,0,0,0,1|1,0,2]=4 2025 B13R1.718 CNC(=O)CNCc1ccccc1 34a_100015324214_100000183359 [0,0,0,0,0,1|1,0,2]=4 2026 B13R1.718 CNC(=O)COCc1ccccc1 11a_106832991635_100000230186 [0,0,0,0,0,1|1,0,2]=4 2027 B13R1.718 CNC(=O)COCc1ccccc1 1626a_100102657272_100000230186 [0,0,0,0,0,1|1,0,2]=4 2028 B13R1.718 CNC(=O)COCc1ccccc1 240690a_100102657272_100000230186 [0,0,0,0,0,1|1,0,2]=4 2029 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000210790_100000183359 [0,0,0,0,0,1|1,0,2]=4 2030 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000750040_100015291786 [0,0,0,0,0,1|1,0,2]=4 2031 B13R1.718 CNC(=O)COCc1ccccc1 527a_100102657272_100000230186 [0,0,0,0,0,1|1,0,2]=4 2032 B13R1.718 CNC(=O)COCc1ccccc1 7a_100000210790_100000183359 [0,0,0,0,0,1|1,0,2]=4 2033 B13R1.718 CNC(=O)CSCc1ccccc1 11a_106832991635_100000150264 [0,0,0,0,0,1|1,0,2]=4 2034 B13R1.718 CNC(=O)CSCc1ccccc1 1626a_100102657272_100000150264 [0,0,0,0,0,1|1,0,2]=4 2035 B13R1.718 CNC(=O)CSCc1ccccc1 240690a_100102657272_100000150264 [0,0,0,0,0,1|1,0,2]=4 2036 B13R1.718 CNC(=O)CSCc1ccccc1 527a_100102657272_100000150264 [0,0,0,0,0,1|1,0,2]=4 2037 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000183359_100015291786 [0,0,0,0,0,1|1,0,2]=4 2038 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000211182_100000183359 [0,0,0,0,0,1|1,0,2]=4 2039 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [0,0,0,0,0,1|1,0,2]=4 2040 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [0,0,0,0,0,1|1,0,2]=4 2041 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [0,0,0,0,0,1|1,0,2]=4 2042 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [0,0,0,0,0,1|1,0,2]=4 2043 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [0,0,0,0,0,1|1,0,2]=4 2044 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [0,0,0,0,0,1|1,0,2]=4 2045 B13R1.718 CNC(=O)NNCc1ccccc1 273464a_100102657272_100000007032 [0,0,0,0,0,1|2,0,1]=4 2046 B13R1.718 CNC(=O)NNCc1ccccc1 512a_106832991638_100000007032 [0,0,0,0,0,1|2,0,1]=4 2047 B13R1.718 COC(=O)C=NNc1ccccc1 4a_100015195140_200011823558 [0,0,0,0,0,1|1,0,0]=2 2048 B13R1.718 COC(=O)C=NNc1ccccn1 4a_100000183288_200011823558 [0,0,0,0,0,1|2,0,0]=3 2049 B13R1.718 COC(=O)C=NNc1cccnc1 4a_100000728903_200011823558 [0,0,0,0,0,1|2,0,0]=3 2050 B13R1.718 COC(=O)C=NNc1cccnn1 4a_100000757824_200011823558 [0,0,0,0,0,1|3,0,0]=4 2051 B13R1.718 COC(=O)C=NNc1ccncc1 4a_100000698918_200011823558 [0,0,0,0,0,1|2,0,0]=3 2052 B13R1.718 COC(=O)C=NNc1ccncn1 4a_100011438088_200011823558 [0,0,0,0,0,1|3,0,0]=4 2053 B13R1.718 COC(=O)C=NNc1cnccn1 4a_100000736894_200011823558 [0,0,0,0,0,1|3,0,0]=4 2054 B13R1.718 COC(=O)C=NNc1ncccn1 4a_100000736892_200011823558 [0,0,0,0,0,1|3,0,0]=4 2055 B13R1.718 COC(=O)CCNc1ccccc1 34a_100000106764_100000742370 [0,0,0,0,0,1|0,0,2]=3 2056 B13R1.718 COC(=O)CCOc1ccccc1 34a_100000210340_100000742370 [0,0,0,0,0,1|0,0,2]=3 2057 B13R1.718 COC(=O)CCOc1ccccc1 7a_100000210340_100000204255 [0,0,0,0,0,1|0,0,2]=3 2058 B13R1.718 COC(=O)CCOc1cccnc1 34a_100000210849_100000742370 [0,0,0,0,0,1|1,0,2]=4 2059 B13R1.718 COC(=O)CCOc1cccnc1 7a_100000210849_100000204255 [0,0,0,0,0,1|1,0,2]=4 2060 B13R1.718 COC(=O)CCOc1ccncc1 34a_100000212176_100000742370 [0,0,0,0,0,1|1,0,2]=4 2061 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000204255_100000041952 [0,0,0,0,0,1|0,0,2]=3 2062 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000719477_100000204255 [0,0,0,0,0,1|0,0,2]=3 2063 B13R1.718 COC(=O)CCSc1ccccn1 62a_100000204255_100011216584 [0,0,0,0,0,1|1,0,2]=4 2064 B13R1.718 COC(=O)CCSc1ccccn1 62a_100011216584_100000204255 [0,0,0,0,0,1|1,0,2]=4 2065 B13R1.718 COC(=O)CCSc1cccnc1 62a_100000204255_100000210063 [0,0,0,0,0,1|1,0,2]=4 2066 B13R1.718 COC(=O)CCSc1cccnc1 62a_100000210063_100000204255 [0,0,0,0,0,1|1,0,2]=4 2067 B13R1.718 COC(=O)CCSc1ccncc1 62a_100000204255_100000728582 [0,0,0,0,0,1|1,0,2]=4 2068 B13R1.718 COC(=O)CCSc1ccncc1 62a_100000728582_100000204255 [0,0,0,0,0,1|1,0,2]=4 2069 B13R1.718 COC(=O)CNCc1ccccc1 2230a_100015324214_100000747449 [0,0,0,0,0,1|0,0,2]=3 2070 B13R1.718 COC(=O)CNCc1ccccc1 34a_100015324214_100000747449 [0,0,0,0,0,1|0,0,2]=3 2071 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [0,0,0,0,0,1|0,0,2]=3 2072 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [0,0,0,0,0,1|0,0,2]=3 2073 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000211182_100000747449 [0,0,0,0,0,1|0,0,2]=3 2074 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000747449_100015291786 [0,0,0,0,0,1|0,0,2]=3 2075 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000721315_100000747449 [0,0,0,0,0,1|1,0,2]=4 2076 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000747449_100000721315 [0,0,0,0,0,1|1,0,2]=4 2077 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000741622_100000747449 [0,0,0,0,0,1|1,0,2]=4 2078 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000747449_100000741622 [0,0,0,0,0,1|1,0,2]=4 2079 B13R1.718 COC(=O)CSCc1ccncc1 62a_100000747449_100015193705 [0,0,0,0,0,1|1,0,2]=4 2080 B13R1.718 COC(=O)CSCc1ccncc1 62a_100015193705_100000747449 [0,0,0,0,0,1|1,0,2]=4 2081 B13R1.718 COC(=O)OCSc1ccccc1 62a_100000719477_100000139417 [0,0,0,0,0,1|1,0,1]=3 2082 B13R1.718 COC(=O)OCSc1ccccn1 62a_100011216584_100000139417 [0,0,0,0,0,1|2,0,1]=4 2083 B13R1.718 COC(=O)OCSc1cccnc1 62a_100000210063_100000139417 [0,0,0,0,0,1|2,0,1]=4 2084 B13R1.718 COC(=O)OCSc1ccncc1 62a_100000728582_100000139417 [0,0,0,0,0,1|2,0,1]=4 2085 B13R1.718 O=C(C=CSc1ccccc1)CF 1458a_100016262050_100015361967 [0,0,0,0,0,1|2,0,0]=3 2086 B13R1.718 O=C(CF)C/C=C/c1ccccc1 1458a_100011219626_100015361967 [0,0,0,0,0,1|2,0,0]=3 2087 B13R1.718 O=C(CO)C/C=C/c1ccccc1 1458a_100000210174_100016265936 [0,0,0,0,0,1|2,0,0]=3 2088 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [2,0,0,0,0,0|2,0,0]=4 2089 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [2,0,0,0,0,0|0,0,2]=4 2090 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [2,0,0,0,0,0|0,0,2]=4 2091 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [2,0,0,0,0,0|0,0,2]=4 2092 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [2,0,0,0,0,0|1,0,1]=4 2093 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [2,0,0,0,0,0|1,0,1]=4 2094 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [2,0,0,0,0,0|1,0,1]=4 2095 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [2,0,0,0,0,0|1,0,1]=4 2096 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [2,0,0,0,0,0|1,0,1]=4 2097 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [2,0,0,0,0,0|1,0,1]=4 2098 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [2,0,0,0,0,0|1,0,1]=4 2099 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [2,0,0,0,0,0|0,0,2]=4 2100 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [2,0,0,0,0,0|0,0,2]=4 2101 B12R1.1 CCCC=Cc1ccc(cc1)Br 271570a_100016258520_100000752885 [1,1,0,0,0,0|1,0,1]=4 2102 B12R1.1 CCCC=Cc1ccc(cc1)C 271570a_100016258520_100000186775 [1,1,0,0,0,0|1,0,1]=4 2103 B12R1.1 CCCC=Cc1ccc(cc1)Cl 271570a_100016258520_100000755918 [1,1,0,0,0,0|1,0,1]=4 2104 B12R1.1 CCCC=Cc1ccc(cc1)F 271570a_100016258520_100000211213 [1,1,0,0,0,0|1,0,1]=4 2105 B12R1.1 CCCC=Cc1ccc(cc1)N 271570a_100016258520_100000185761 [1,1,0,0,0,0|1,0,1]=4 2106 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [1,1,0,0,0,0|1,0,1]=4 2107 B12R1.1 CCOC=Cc1ccc(cc1)Br 271570a_100016256518_100000752885 [1,1,0,0,0,0|2,0,0]=4 2108 B12R1.1 CCOC=Cc1ccc(cc1)C 271570a_100016256518_100000186775 [1,1,0,0,0,0|2,0,0]=4 2109 B12R1.1 CCOC=Cc1ccc(cc1)Cl 271570a_100016256518_100000755918 [1,1,0,0,0,0|2,0,0]=4 2110 B12R1.1 CCOC=Cc1ccc(cc1)F 271570a_100016256518_100000211213 [1,1,0,0,0,0|2,0,0]=4 2111 B12R1.1 CCOC=Cc1ccc(cc1)N 271570a_100016256518_100000185761 [1,1,0,0,0,0|2,0,0]=4 2112 B12R1.1 CCOC=Cc1ccc(cc1)O 271570a_100016256518_100000185759 [1,1,0,0,0,0|2,0,0]=4 2113 B12R1.1 CNCC=Cc1ccc(cc1)Br 270004a_106832991635_100016291818 [1,1,0,0,0,0|1,0,1]=4 2114 B12R1.1 CNCC=Cc1ccc(cc1)C 270004a_106832991635_100016257026 [1,1,0,0,0,0|1,0,1]=4 2115 B12R1.1 CNCC=Cc1ccc(cc1)Cl 270004a_106832991635_100102525842 [1,1,0,0,0,0|1,0,1]=4 2116 B12R1.1 CNCC=Cc1ccc(cc1)F 270004a_106832991635_100016272083 [1,1,0,0,0,0|1,0,1]=4 2117 B12R1.1 COCC=Cc1cc[n+](cc1)[O-] 271570a_100016286323_100000039755 [1,1,0,0,0,0|1,0,1]=4 2118 B12R1.1 COCC=Cc1ccc(=O)[nH]c1 271570a_100016286323_100000212171 [1,1,0,0,0,0|1,0,1]=4 2119 B12R1.1 COCC=Cc1ccc(cc1)Br 271570a_100016286323_100000752885 [1,1,0,0,0,0|0,0,1]=3 2120 B12R1.1 COCC=Cc1ccc(cc1)C 271570a_100016286323_100000186775 [1,1,0,0,0,0|0,0,1]=3 2121 B12R1.1 COCC=Cc1ccc(cc1)Cl 271570a_100016286323_100000755918 [1,1,0,0,0,0|0,0,1]=3 2122 B12R1.1 COCC=Cc1ccc(cc1)F 271570a_100016286323_100000211213 [1,1,0,0,0,0|0,0,1]=3 2123 B12R1.1 COCC=Cc1ccc(cc1)N 271570a_100016286323_100000185761 [1,1,0,0,0,0|0,0,1]=3 2124 B12R1.1 COCC=Cc1ccc(cc1)O 271570a_100016286323_100000185759 [1,1,0,0,0,0|0,0,1]=3 2125 B12R1.1 COCC=Cc1ccc(cn1)Br 271570a_100016286323_100000686858 [1,1,0,0,0,0|1,0,1]=4 2126 B12R1.1 COCC=Cc1ccc(cn1)C 271570a_100016286323_100000754016 [1,1,0,0,0,0|1,0,1]=4 2127 B12R1.1 COCC=Cc1ccc(cn1)Cl 271570a_100016286323_100011356976 [1,1,0,0,0,0|1,0,1]=4 2128 B12R1.1 COCC=Cc1ccc(cn1)F 271570a_100016286323_100000744514 [1,1,0,0,0,0|1,0,1]=4 2129 B12R1.1 COCC=Cc1ccc(cn1)N 271570a_100016286323_100000744251 [1,1,0,0,0,0|1,0,1]=4 2130 B12R1.1 COCC=Cc1ccc(cn1)O 271570a_100016286323_100000685995 [1,1,0,0,0,0|1,0,1]=4 2131 B12R1.1 COCC=Cc1ccc(nc1)Br 271570a_100016286323_100009814638 [1,1,0,0,0,0|1,0,1]=4 2132 B12R1.1 COCC=Cc1ccc(nc1)C 271570a_100016286323_100000751577 [1,1,0,0,0,0|1,0,1]=4 2133 B12R1.1 COCC=Cc1ccc(nc1)Cl 271570a_100016286323_100000034144 [1,1,0,0,0,0|1,0,1]=4 2134 B12R1.1 COCC=Cc1ccc(nc1)F 271570a_100016286323_100000748661 [1,1,0,0,0,0|1,0,1]=4 2135 B12R1.1 COCC=Cc1ccc(nc1)N 271570a_100016286323_100000187370 [1,1,0,0,0,0|1,0,1]=4 2136 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [1,1,0,0,0,0|1,0,1]=4 2137 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [1,1,0,0,0,0|1,0,1]=4 2138 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [1,1,0,0,0,0|1,0,1]=4 2139 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [1,1,0,0,0,0|1,0,1]=4 2140 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [1,1,0,0,0,0|1,0,1]=4 2141 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [1,1,0,0,0,0|1,0,1]=4 2142 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [1,1,0,0,0,0|1,0,1]=4 2143 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [1,1,0,0,0,0|1,0,1]=4 2144 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [1,1,0,0,0,0|1,0,1]=4 2145 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [1,1,0,0,0,0|1,0,1]=4 2146 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [1,1,0,0,0,0|0,0,1]=3 2147 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [1,1,0,0,0,0|0,0,1]=3 2148 B12R1.8 CCOC/C=C/c1cccnc1 34a_200102594124_100000210202 [1,1,0,0,0,0|1,0,1]=4 2149 B12R1.8 CCSC/C=C/c1ccccc1 62a_100000210202_100016265936 [1,1,0,0,0,0|0,1,1]=4 2150 B12R1.8 CCSC/C=C/c1ccccc1 62a_100016265936_100000210202 [1,1,0,0,0,0|0,1,1]=4 2151 B12R1.8 FCNC/C=C/c1ccccc1 34a_100020603302_100015361967 [1,1,0,0,0,0|1,0,1]=4 2152 B12R1.8 FCOC/C=C/c1ccccc1 34a_100000210256_100015361967 [1,1,0,0,0,0|0,0,1]=3 2153 B12R1.8 FCOC/C=C/c1cccnc1 34a_200102594124_100015361967 [1,1,0,0,0,0|1,0,1]=4 2154 B12R1.8 FCSC/C=C/c1ccccc1 62a_100015361967_100016265936 [1,1,0,0,0,0|0,1,1]=4 2155 B12R1.8 FCSC/C=C/c1ccccc1 62a_100016265936_100015361967 [1,1,0,0,0,0|0,1,1]=4 2156 B12R1.28 CCCC=Cc1cccc(c1)Br 271570a_100016258520_100000691529 [1,1,0,0,0,0|1,0,1]=4 2157 B12R1.28 CCCC=Cc1cccc(c1)C 271570a_100016258520_100011215228 [1,1,0,0,0,0|1,0,1]=4 2158 B12R1.28 CCCC=Cc1cccc(c1)Cl 271570a_100016258520_100000699651 [1,1,0,0,0,0|1,0,1]=4 2159 B12R1.28 CCCC=Cc1cccc(c1)F 271570a_100016258520_100000685547 [1,1,0,0,0,0|1,0,1]=4 2160 B12R1.28 CCCC=Cc1cccc(c1)N 271570a_100016258520_100000210019 [1,1,0,0,0,0|1,0,1]=4 2161 B12R1.28 CCCC=Cc1cccc(c1)O 271570a_100016258520_100000211634 [1,1,0,0,0,0|1,0,1]=4 2162 B12R1.28 CCCC=Cc1cccc(c1)[S] 271570a_100016258520_114929384022 [1,1,0,0,0,0|1,0,1]=4 2163 B12R1.28 CCOC=Cc1cccc(c1)Br 271570a_100016256518_100000691529 [1,1,0,0,0,0|2,0,0]=4 2164 B12R1.28 CCOC=Cc1cccc(c1)C 271570a_100016256518_100011215228 [1,1,0,0,0,0|2,0,0]=4 2165 B12R1.28 CCOC=Cc1cccc(c1)Cl 271570a_100016256518_100000699651 [1,1,0,0,0,0|2,0,0]=4 2166 B12R1.28 CCOC=Cc1cccc(c1)F 271570a_100016256518_100000685547 [1,1,0,0,0,0|2,0,0]=4 2167 B12R1.28 CCOC=Cc1cccc(c1)N 271570a_100016256518_100000210019 [1,1,0,0,0,0|2,0,0]=4 2168 B12R1.28 CCOC=Cc1cccc(c1)O 271570a_100016256518_100000211634 [1,1,0,0,0,0|2,0,0]=4 2169 B12R1.28 CCOC=Cc1cccc(c1)[S] 271570a_100016256518_114929384022 [1,1,0,0,0,0|2,0,0]=4 2170 B12R1.28 CNCC=Cc1cccc(c1)C 270004a_106832991635_100102525846 [1,1,0,0,0,0|1,0,1]=4 2171 B12R1.28 CNCC=Cc1cccc(c1)Cl 270004a_106832991635_100016268971 [1,1,0,0,0,0|1,0,1]=4 2172 B12R1.28 COCC=Cc1cc(ccn1)C 271570a_100016286323_100000750283 [1,1,0,0,0,0|1,0,1]=4 2173 B12R1.28 COCC=Cc1cc(ccn1)Cl 271570a_100016286323_100010167805 [1,1,0,0,0,0|1,0,1]=4 2174 B12R1.28 COCC=Cc1cc(ccn1)F 271570a_100016286323_100009817058 [1,1,0,0,0,0|1,0,1]=4 2175 B12R1.28 COCC=Cc1cc(ccn1)N 271570a_100016286323_100009814236 [1,1,0,0,0,0|1,0,1]=4 2176 B12R1.28 COCC=Cc1cc(ccn1)O 271570a_100016286323_100000762945 [1,1,0,0,0,0|1,0,1]=4 2177 B12R1.28 COCC=Cc1cc[nH]c(=O)c1 271570a_100016286323_100009816521 [1,1,0,0,0,0|1,0,1]=4 2178 B12R1.28 COCC=Cc1ccc[n+](c1)C 271570a_100016286323_100009996589 [1,1,0,0,0,0|1,0,1]=4 2179 B12R1.28 COCC=Cc1ccc[n+](c1)[O-] 271570a_100016286323_100009815978 [1,1,0,0,0,0|1,0,1]=4 2180 B12R1.28 COCC=Cc1cccc(=O)[nH]1 271570a_100016286323_100000761760 [1,1,0,0,0,0|1,0,1]=4 2181 B12R1.28 COCC=Cc1cccc(c1)Br 271570a_100016286323_100000691529 [1,1,0,0,0,0|0,0,1]=3 2182 B12R1.28 COCC=Cc1cccc(c1)C 271570a_100016286323_100011215228 [1,1,0,0,0,0|0,0,1]=3 2183 B12R1.28 COCC=Cc1cccc(c1)Cl 271570a_100016286323_100000699651 [1,1,0,0,0,0|0,0,1]=3 2184 B12R1.28 COCC=Cc1cccc(c1)F 271570a_100016286323_100000685547 [1,1,0,0,0,0|0,0,1]=3 2185 B12R1.28 COCC=Cc1cccc(c1)N 271570a_100016286323_100000210019 [1,1,0,0,0,0|0,0,1]=3 2186 B12R1.28 COCC=Cc1cccc(c1)O 271570a_100016286323_100000211634 [1,1,0,0,0,0|0,0,1]=3 2187 B12R1.28 COCC=Cc1cccc(c1)[S] 271570a_100016286323_114929384022 [1,1,0,0,0,0|0,0,1]=3 2188 B12R1.28 COCC=Cc1cccc(n1)Br 271570a_100016286323_100000684672 [1,1,0,0,0,0|1,0,1]=4 2189 B12R1.28 COCC=Cc1cccc(n1)C 271570a_100016286323_100000742759 [1,1,0,0,0,0|1,0,1]=4 2190 B12R1.28 COCC=Cc1cccc(n1)F 271570a_100016286323_100009815982 [1,1,0,0,0,0|1,0,1]=4 2191 B12R1.28 COCC=Cc1cccc(n1)N 271570a_100016286323_100000740741 [1,1,0,0,0,0|1,0,1]=4 2192 B12R1.28 COCC=Cc1ccnc(c1)Br 271570a_100016286323_100009814637 [1,1,0,0,0,0|1,0,1]=4 2193 B12R1.28 COCC=Cc1ccnc(c1)C 271570a_100016286323_100000758586 [1,1,0,0,0,0|1,0,1]=4 2194 B12R1.28 COCC=Cc1ccnc(c1)Cl 271570a_100016286323_100000035001 [1,1,0,0,0,0|1,0,1]=4 2195 B12R1.28 COCC=Cc1ccnc(c1)F 271570a_100016286323_100009816116 [1,1,0,0,0,0|1,0,1]=4 2196 B12R1.28 COCC=Cc1ccnc(c1)N 271570a_100016286323_100000744379 [1,1,0,0,0,0|1,0,1]=4 2197 B12R1.28 COCC=Cc1cncc(c1)Br 271570a_100016286323_100000728054 [1,1,0,0,0,0|1,0,1]=4 2198 B12R1.28 COCC=Cc1cncc(c1)C 271570a_100016286323_100000760492 [1,1,0,0,0,0|1,0,1]=4 2199 B12R1.28 COCC=Cc1cncc(c1)Cl 271570a_100016286323_100000049639 [1,1,0,0,0,0|1,0,1]=4 2200 B12R1.28 COCC=Cc1cncc(c1)F 271570a_100016286323_100000744099 [1,1,0,0,0,0|1,0,1]=4 2201 B12R1.28 COCC=Cc1cncc(c1)N 271570a_100016286323_100000687067 [1,1,0,0,0,0|1,0,1]=4 2202 B12R1.28 COCC=Cc1cncc(c1)O 271570a_100016286323_100000754920 [1,1,0,0,0,0|1,0,1]=4 2203 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [1,1,0,0,0,0|1,0,1]=4 2204 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [1,1,0,0,0,0|1,0,1]=4 2205 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [1,1,0,0,0,0|0,0,2]=4 2206 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [1,1,0,0,0,0|0,0,1]=3 2207 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [1,1,0,0,0,0|0,0,1]=3 2208 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [1,1,0,0,0,0|1,0,1]=4 2209 B12R1.32 CC=CC(=O)Nc1ccccc1 11a_100000106764_100000210699 [1,1,0,0,0,0|2,0,0]=4 2210 B12R1.32 CC=CC(=O)Nc1ccccc1 1626a_100000106764_100000210699 [1,1,0,0,0,0|2,0,0]=4 2211 B12R1.32 CC=CC(=O)Nc1ccccc1 22a_100000106764_100000210699 [1,1,0,0,0,0|2,0,0]=4 2212 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [1,1,0,0,0,0|0,0,1]=3 2213 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [1,1,0,0,0,0|0,0,1]=3 2214 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [1,1,0,0,0,0|0,0,2]=4 2215 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [1,1,0,0,0,0|1,0,1]=4 2216 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [1,1,0,0,0,0|1,0,1]=4 2217 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [1,1,0,0,0,0|1,0,1]=4 2218 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [1,1,0,0,0,0|1,0,1]=4 2219 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [1,1,0,0,0,0|1,0,1]=4 2220 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [1,1,0,0,0,0|1,0,1]=4 2221 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [1,1,0,0,0,0|1,0,1]=4 2222 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [1,1,0,0,0,0|1,0,1]=4 2223 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [1,1,0,0,0,0|1,0,1]=4 2224 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [1,1,0,0,0,0|1,0,1]=4 2225 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [1,1,0,0,0,0|2,0,0]=4 2226 B12R1.252 CC(C)CC=Cc1ccccc1 271570a_100016259101_100000210277 [1,1,0,0,0,0|1,0,1]=4 2227 B12R1.252 CN(C)C/C=C/c1ccccc1 2230a_100102631434_100016265936 [1,1,0,0,0,0|1,0,1]=4 2228 B12R1.252 CN(C)C/C=C/c1ccccc1 269982a_100102631434_100016265936 [1,1,0,0,0,0|1,0,1]=4 2229 B12R1.252 CN(C)CC=Cc1ccccc1 270004a_100102631434_100000210105 [1,1,0,0,0,0|1,0,1]=4 2230 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [1,1,0,0,0,0|1,0,1]=4 2231 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [1,1,0,0,0,0|2,0,0]=4 2232 B12R1.267 CCCC=Cc1ccccc1Br 271570a_100016258520_100000695589 [1,1,0,0,0,0|1,0,1]=4 2233 B12R1.267 CCCC=Cc1ccccc1C 271570a_100016258520_100000210755 [1,1,0,0,0,0|1,0,1]=4 2234 B12R1.267 CCCC=Cc1ccccc1Cl 271570a_100016258520_100000764095 [1,1,0,0,0,0|1,0,1]=4 2235 B12R1.267 CCCC=Cc1ccccc1F 271570a_100016258520_100011215700 [1,1,0,0,0,0|1,0,1]=4 2236 B12R1.267 CCCC=Cc1ccccc1N 271570a_100016258520_100000210017 [1,1,0,0,0,0|1,0,1]=4 2237 B12R1.267 CCCC=Cc1ccccc1O 271570a_100016258520_100000739446 [1,1,0,0,0,0|1,0,1]=4 2238 B12R1.267 CCOC=Cc1ccccc1Br 271570a_100016256518_100000695589 [1,1,0,0,0,0|2,0,0]=4 2239 B12R1.267 CCOC=Cc1ccccc1C 271570a_100016256518_100000210755 [1,1,0,0,0,0|2,0,0]=4 2240 B12R1.267 CCOC=Cc1ccccc1Cl 271570a_100016256518_100000764095 [1,1,0,0,0,0|2,0,0]=4 2241 B12R1.267 CCOC=Cc1ccccc1F 271570a_100016256518_100011215700 [1,1,0,0,0,0|2,0,0]=4 2242 B12R1.267 CCOC=Cc1ccccc1N 271570a_100016256518_100000210017 [1,1,0,0,0,0|2,0,0]=4 2243 B12R1.267 CCOC=Cc1ccccc1O 271570a_100016256518_100000739446 [1,1,0,0,0,0|2,0,0]=4 2244 B12R1.267 CNCC=Cc1ccccc1Br 270004a_106832991635_200016268969 [1,1,0,0,0,0|1,0,1]=4 2245 B12R1.267 CNCC=Cc1ccccc1Cl 270004a_106832991635_200102525841 [1,1,0,0,0,0|1,0,1]=4 2246 B12R1.267 CNCC=Cc1ccccc1F 270004a_106832991635_200102525844 [1,1,0,0,0,0|1,0,1]=4 2247 B12R1.267 COCC=Cc1c[nH]ccc1=O 271570a_100016286323_100009998708 [1,1,0,0,0,0|1,0,1]=4 2248 B12R1.267 COCC=Cc1c[nH]ccc1=S 271570a_100016286323_200012280681 [1,1,0,0,0,0|1,0,1]=4 2249 B12R1.267 COCC=Cc1ccc[nH]c1=O 271570a_100016286323_100000050042 [1,1,0,0,0,0|1,0,1]=4 2250 B12R1.267 COCC=Cc1cccc[n+]1C 271570a_100016286323_100000212160 [1,1,0,0,0,0|1,0,1]=4 2251 B12R1.267 COCC=Cc1cccc[n+]1[O-] 271570a_100016286323_200000042595 [1,1,0,0,0,0|1,0,1]=4 2252 B12R1.267 COCC=Cc1ccccc1Br 271570a_100016286323_100000695589 [1,1,0,0,0,0|0,0,1]=3 2253 B12R1.267 COCC=Cc1ccccc1C 271570a_100016286323_100000210755 [1,1,0,0,0,0|0,0,1]=3 2254 B12R1.267 COCC=Cc1ccccc1Cl 271570a_100016286323_100000764095 [1,1,0,0,0,0|0,0,1]=3 2255 B12R1.267 COCC=Cc1ccccc1F 271570a_100016286323_100011215700 [1,1,0,0,0,0|0,0,1]=3 2256 B12R1.267 COCC=Cc1ccccc1N 271570a_100016286323_100000210017 [1,1,0,0,0,0|0,0,1]=3 2257 B12R1.267 COCC=Cc1ccccc1O 271570a_100016286323_100000739446 [1,1,0,0,0,0|0,0,1]=3 2258 B12R1.267 COCC=Cc1cccnc1Br 271570a_100016286323_100010202626 [1,1,0,0,0,0|1,0,1]=4 2259 B12R1.267 COCC=Cc1cccnc1C 271570a_100016286323_100000751574 [1,1,0,0,0,0|1,0,1]=4 2260 B12R1.267 COCC=Cc1cccnc1Cl 271570a_100016286323_100000036424 [1,1,0,0,0,0|1,0,1]=4 2261 B12R1.267 COCC=Cc1cccnc1F 271570a_100016286323_100009816115 [1,1,0,0,0,0|1,0,1]=4 2262 B12R1.267 COCC=Cc1cccnc1N 271570a_100016286323_100000045569 [1,1,0,0,0,0|1,0,1]=4 2263 B12R1.267 COCC=Cc1ccncc1Br 271570a_100016286323_100000726257 [1,1,0,0,0,0|1,0,1]=4 2264 B12R1.267 COCC=Cc1ccncc1C 271570a_100016286323_100015191297 [1,1,0,0,0,0|1,0,1]=4 2265 B12R1.267 COCC=Cc1ccncc1Cl 271570a_100016286323_100000708259 [1,1,0,0,0,0|1,0,1]=4 2266 B12R1.267 COCC=Cc1ccncc1F 271570a_100016286323_100000047030 [1,1,0,0,0,0|1,0,1]=4 2267 B12R1.267 COCC=Cc1ccncc1N 271570a_100016286323_100009815883 [1,1,0,0,0,0|1,0,1]=4 2268 B12R1.267 COCC=Cc1ccncc1O 271570a_100016286323_100009817591 [1,1,0,0,0,0|1,0,1]=4 2269 B12R1.267 COCC=Cc1cnccc1Br 271570a_100016286323_100010138639 [1,1,0,0,0,0|1,0,1]=4 2270 B12R1.267 COCC=Cc1cnccc1C 271570a_100016286323_100000761580 [1,1,0,0,0,0|1,0,1]=4 2271 B12R1.267 COCC=Cc1cnccc1Cl 271570a_100016286323_100009995489 [1,1,0,0,0,0|1,0,1]=4 2272 B12R1.267 COCC=Cc1cnccc1F 271570a_100016286323_100009820683 [1,1,0,0,0,0|1,0,1]=4 2273 B12R1.267 COCC=Cc1cnccc1N 271570a_100016286323_100000047001 [1,1,0,0,0,0|1,0,1]=4 2274 B12R1.267 COCC=Cc1ncccc1Br 271570a_100016286323_100000696092 [1,1,0,0,0,0|1,0,1]=4 2275 B12R1.267 COCC=Cc1ncccc1C 271570a_100016286323_100000751373 [1,1,0,0,0,0|1,0,1]=4 2276 B12R1.267 COCC=Cc1ncccc1Cl 271570a_100016286323_100011356963 [1,1,0,0,0,0|1,0,1]=4 2277 B12R1.267 COCC=Cc1ncccc1F 271570a_100016286323_100000685392 [1,1,0,0,0,0|1,0,1]=4 2278 B12R1.267 COCC=Cc1ncccc1N 271570a_100016286323_100000688686 [1,1,0,0,0,0|1,0,1]=4 2279 B12R1.267 COCC=Cc1ncccc1O 271570a_100016286323_100000034122 [1,1,0,0,0,0|1,0,1]=4 2280 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [1,1,0,0,0,0|0,0,0]=2 2281 B12R1.21 CC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200000210301 [1,1,0,0,0,0|0,0,2]=4 2282 B12R1.21 CC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200000210301 [1,1,0,0,0,0|0,0,2]=4 2283 B12R1.21 CC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200000210301 [1,1,0,0,0,0|0,0,2]=4 2284 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [1,1,0,0,0,0|0,0,0]=2 2285 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [1,1,0,0,0,0|0,0,0]=2 2286 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [1,1,0,0,0,0|0,0,0]=2 2287 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [1,1,0,0,0,0|0,0,0]=2 2288 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [1,1,0,0,0,0|0,0,0]=2 2289 B12R1.21 CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200000210301 [1,1,0,0,0,0|1,0,0]=3 2290 B12R1.21 CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200000210301 [1,1,0,0,0,0|1,0,0]=3 2291 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [1,1,0,0,0,0|0,0,2]=4 2292 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [1,1,0,0,0,0|0,0,2]=4 2293 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [1,1,0,0,0,0|0,0,2]=4 2294 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [1,1,0,0,0,0|0,0,2]=4 2295 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [1,1,0,0,0,0|0,0,2]=4 2296 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [1,1,0,0,0,0|0,0,2]=4 2297 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [1,1,0,0,0,0|0,0,2]=4 2298 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [1,1,0,0,0,0|0,0,2]=4 2299 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [1,1,0,0,0,0|0,0,2]=4 2300 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [1,1,0,0,0,0|0,0,2]=4 2301 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [1,1,0,0,0,0|0,0,2]=4 2302 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [1,1,0,0,0,0|0,0,2]=4 2303 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [1,1,0,0,0,0|1,0,1]=4 2304 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [1,1,0,0,0,0|1,0,1]=4 2305 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [1,1,0,0,0,0|1,0,1]=4 2306 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [1,1,0,0,0,0|1,0,1]=4 2307 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [1,1,0,0,0,0|1,0,1]=4 2308 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [1,1,0,0,0,0|1,0,1]=4 2309 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [1,1,0,0,0,0|1,0,1]=4 2310 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [1,1,0,0,0,0|1,0,1]=4 2311 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [1,1,0,0,0,0|1,0,1]=4 2312 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [1,1,0,0,0,0|1,0,1]=4 2313 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [1,1,0,0,0,0|1,0,1]=4 2314 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [1,1,0,0,0,0|1,0,1]=4 2315 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [1,1,0,0,0,0|1,0,1]=4 2316 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [1,1,0,0,0,0|1,0,1]=4 2317 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [1,1,0,0,0,0|1,0,1]=4 2318 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [1,1,0,0,0,0|1,0,1]=4 2319 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [1,1,0,0,0,0|1,0,1]=4 2320 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [1,1,0,0,0,0|1,0,1]=4 2321 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [1,1,0,0,0,0|1,0,1]=4 2322 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [1,1,0,0,0,0|1,0,1]=4 2323 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [1,1,0,0,0,0|1,0,1]=4 2324 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [1,1,0,0,0,0|1,0,1]=4 2325 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [1,1,0,0,0,0|1,0,1]=4 2326 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [1,1,0,0,0,0|1,0,1]=4 2327 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [1,1,0,0,0,0|1,0,1]=4 2328 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [1,1,0,0,0,0|1,0,1]=4 2329 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [1,1,0,0,0,0|1,0,1]=4 2330 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [1,1,0,0,0,0|1,0,1]=4 2331 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [1,1,0,0,0,0|1,0,1]=4 2332 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [1,1,0,0,0,0|1,0,1]=4 2333 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [1,1,0,0,0,0|1,0,1]=4 2334 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [1,1,0,0,0,0|1,0,1]=4 2335 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [1,1,0,0,0,0|1,0,1]=4 2336 B12R1.21 CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000070787 [1,1,0,0,0,0|2,0,0]=4 2337 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [1,1,0,0,0,0|2,0,0]=4 2338 B12R1.21 CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000070787 [1,1,0,0,0,0|2,0,0]=4 2339 B12R1.21 CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000070787 [1,1,0,0,0,0|2,0,0]=4 2340 B12R1.21 CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000070787 [1,1,0,0,0,0|2,0,0]=4 2341 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [1,1,0,0,0,0|2,0,0]=4 2342 B12R1.21 CC(C)C=Cc1ccc(cc1)Br 271570a_100016257149_100000752885 [1,1,0,0,0,0|1,0,1]=4 2343 B12R1.21 CC(C)C=Cc1ccc(cc1)Cl 271570a_100016257149_100000755918 [1,1,0,0,0,0|1,0,1]=4 2344 B12R1.21 CC(C)C=Cc1ccc(cc1)F 271570a_100016257149_100000211213 [1,1,0,0,0,0|1,0,1]=4 2345 B12R1.21 CC(C)C=Cc1ccc(cc1)N 271570a_100016257149_100000185761 [1,1,0,0,0,0|1,0,1]=4 2346 B12R1.21 CC(C)C=Cc1ccc(cc1)O 271570a_100016257149_100000185759 [1,1,0,0,0,0|1,0,1]=4 2347 B12R1.21 CC(O)C=Cc1ccc(cc1)Br 271570a_200011019289_100000752885 [1,1,0,0,0,0|0,0,2]=4 2348 B12R1.21 CC(O)C=Cc1ccc(cc1)Cl 271570a_200011019289_100000755918 [1,1,0,0,0,0|0,0,2]=4 2349 B12R1.21 CC(O)C=Cc1ccc(cc1)F 271570a_200011019289_100000211213 [1,1,0,0,0,0|0,0,2]=4 2350 B12R1.21 CC(O)C=Cc1ccc(cc1)N 271570a_200011019289_100000185761 [1,1,0,0,0,0|0,0,2]=4 2351 B12R1.21 CC(O)C=Cc1ccc(cc1)O 271570a_200011019289_100000185759 [1,1,0,0,0,0|0,0,2]=4 2352 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [1,1,0,0,0,0|0,0,0]=2 2353 B12R1.21 Cc1ccc(cc1)C=CC(C)C 271570a_100016257149_100000186775 [1,1,0,0,0,0|1,0,1]=4 2354 B12R1.21 Cc1ccc(cc1)C=CC(C)O 271570a_200011019289_100000186775 [1,1,0,0,0,0|0,0,2]=4 2355 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [1,1,0,0,0,0|0,0,2]=4 2356 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [1,1,0,0,0,0|1,0,1]=4 2357 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [1,1,0,0,0,0|1,0,1]=4 2358 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200025704644 [1,1,0,0,0,0|0,0,2]=4 2359 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200025704644 [1,1,0,0,0,0|0,0,2]=4 2360 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200025704644 [1,1,0,0,0,0|0,0,2]=4 2361 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [1,1,0,0,0,0|0,0,0]=2 2362 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [1,1,0,0,0,0|0,0,0]=2 2363 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [1,1,0,0,0,0|0,0,0]=2 2364 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [1,1,0,0,0,0|0,0,0]=2 2365 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_200025704644 [1,1,0,0,0,0|1,0,0]=3 2366 B12R1.21 [13CH3]C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_200025704644 [1,1,0,0,0,0|1,0,0]=3 2367 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [1,1,0,0,0,0|0,0,2]=4 2368 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [1,1,0,0,0,0|0,0,2]=4 2369 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [1,1,0,0,0,0|0,0,2]=4 2370 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [1,1,0,0,0,0|0,0,2]=4 2371 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [1,1,0,0,0,0|0,0,2]=4 2372 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [1,1,0,0,0,0|1,0,1]=4 2373 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [1,1,0,0,0,0|1,0,1]=4 2374 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [1,1,0,0,0,0|1,0,1]=4 2375 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [1,1,0,0,0,0|1,0,1]=4 2376 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [1,1,0,0,0,0|1,0,1]=4 2377 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [1,1,0,0,0,0|1,0,1]=4 2378 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [1,1,0,0,0,0|1,0,1]=4 2379 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [1,1,0,0,0,0|1,0,1]=4 2380 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [1,1,0,0,0,0|0,0,0]=2 2381 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [1,1,0,0,0,0|1,0,0]=3 2382 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [1,1,0,0,0,0|1,0,1]=4 2383 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [1,1,0,0,0,0|2,0,0]=4 2384 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [1,1,0,0,0,0|2,0,0]=4 2385 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [1,1,0,0,0,0|2,0,0]=4 2386 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [1,1,0,0,0,0|0,0,0]=2 2387 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [1,1,0,0,0,0|0,0,0]=2 2388 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [1,1,0,0,0,0|1,0,0]=3 2389 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [1,1,0,0,0,0|0,0,0]=2 2390 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [1,1,0,0,0,0|1,0,0]=3 2391 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [1,1,0,0,0,0|1,0,0]=3 2392 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [1,1,0,0,0,0|0,0,2]=4 2393 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [1,1,0,0,0,0|0,0,2]=4 2394 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [1,1,0,0,0,0|1,0,1]=4 2395 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [1,1,0,0,0,0|1,0,1]=4 2396 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [1,1,0,0,0,0|1,0,1]=4 2397 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [1,1,0,0,0,0|1,0,1]=4 2398 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [1,1,0,0,0,0|1,0,1]=4 2399 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [1,1,0,0,0,0|1,0,1]=4 2400 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [1,1,0,0,0,0|1,0,1]=4 2401 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [1,1,0,0,0,0|1,0,1]=4 2402 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [1,1,0,0,0,0|1,0,1]=4 2403 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [1,1,0,0,0,0|0,0,2]=4 2404 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [1,1,0,0,0,0|0,0,2]=4 2405 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [1,1,0,0,0,0|1,0,1]=4 2406 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [1,1,0,0,0,0|1,0,1]=4 2407 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [1,1,0,0,0,0|2,0,0]=4 2408 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [1,1,0,0,0,0|0,0,0]=2 2409 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [1,1,0,0,0,0|0,0,0]=2 2410 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [1,1,0,0,0,0|1,0,0]=3 2411 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [1,1,0,0,0,0|1,0,0]=3 2412 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [1,1,0,0,0,0|0,0,2]=4 2413 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [1,1,0,0,0,0|1,0,1]=4 2414 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [1,1,0,0,0,0|0,0,0]=2 2415 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [1,1,0,0,0,0|0,0,0]=2 2416 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [1,1,0,0,0,0|0,0,1]=3 2417 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [1,1,0,0,0,0|1,0,1]=4 2418 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [1,1,0,0,0,0|1,0,1]=4 2419 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [1,1,0,0,0,0|1,0,1]=4 2420 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [1,1,0,0,0,0|0,0,2]=4 2421 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [1,1,0,0,0,0|0,0,2]=4 2422 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [1,1,0,0,0,0|0,0,2]=4 2423 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [1,1,0,0,0,0|0,0,2]=4 2424 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [1,1,0,0,0,0|1,0,1]=4 2425 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [1,1,0,0,0,0|0,0,2]=4 2426 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [1,1,0,0,0,0|1,0,1]=4 2427 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [1,1,0,0,0,0|1,0,1]=4 2428 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [1,1,0,0,0,0|1,0,1]=4 2429 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [1,1,0,0,0,0|1,0,1]=4 2430 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [1,1,0,0,0,0|0,0,2]=4 2431 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [1,1,0,0,0,0|1,0,1]=4 2432 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [1,1,0,0,0,0|1,0,1]=4 2433 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [1,1,0,0,0,0|1,0,1]=4 2434 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [1,1,0,0,0,0|0,0,2]=4 2435 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [1,1,0,0,0,0|0,0,2]=4 2436 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [1,1,0,0,0,0|1,0,1]=4 2437 B12R1.125 CC(=O)C#Cc1ccccc1F 1458a_100011892747_200000210301 [1,1,0,0,0,0|0,0,2]=4 2438 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [1,1,0,0,0,0|0,0,0]=2 2439 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [1,1,0,0,0,0|0,0,0]=2 2440 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [1,1,0,0,0,0|0,0,0]=2 2441 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [1,1,0,0,0,0|0,0,0]=2 2442 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [1,1,0,0,0,0|0,0,2]=4 2443 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [1,1,0,0,0,0|0,0,2]=4 2444 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [1,1,0,0,0,0|0,0,2]=4 2445 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [1,1,0,0,0,0|0,0,2]=4 2446 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [1,1,0,0,0,0|0,0,2]=4 2447 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [1,1,0,0,0,0|0,0,2]=4 2448 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [1,1,0,0,0,0|0,0,2]=4 2449 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [1,1,0,0,0,0|0,0,2]=4 2450 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [1,1,0,0,0,0|0,0,2]=4 2451 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [1,1,0,0,0,0|0,0,2]=4 2452 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [1,1,0,0,0,0|0,0,2]=4 2453 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [1,1,0,0,0,0|1,0,1]=4 2454 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [1,1,0,0,0,0|1,0,1]=4 2455 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [1,1,0,0,0,0|1,0,1]=4 2456 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [1,1,0,0,0,0|1,0,1]=4 2457 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [1,1,0,0,0,0|1,0,1]=4 2458 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [1,1,0,0,0,0|1,0,1]=4 2459 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [1,1,0,0,0,0|1,0,1]=4 2460 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [1,1,0,0,0,0|1,0,1]=4 2461 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [1,1,0,0,0,0|1,0,1]=4 2462 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [1,1,0,0,0,0|1,0,1]=4 2463 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [1,1,0,0,0,0|1,0,1]=4 2464 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [1,1,0,0,0,0|1,0,1]=4 2465 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [1,1,0,0,0,0|1,0,1]=4 2466 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [1,1,0,0,0,0|1,0,1]=4 2467 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [1,1,0,0,0,0|1,0,1]=4 2468 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [1,1,0,0,0,0|1,0,1]=4 2469 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [1,1,0,0,0,0|1,0,1]=4 2470 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [1,1,0,0,0,0|1,0,1]=4 2471 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [1,1,0,0,0,0|1,0,1]=4 2472 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [1,1,0,0,0,0|1,0,1]=4 2473 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [1,1,0,0,0,0|1,0,1]=4 2474 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [1,1,0,0,0,0|1,0,1]=4 2475 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [1,1,0,0,0,0|1,0,1]=4 2476 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [1,1,0,0,0,0|1,0,1]=4 2477 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [1,1,0,0,0,0|1,0,1]=4 2478 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [1,1,0,0,0,0|1,0,1]=4 2479 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [1,1,0,0,0,0|1,0,1]=4 2480 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [1,1,0,0,0,0|1,0,1]=4 2481 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [1,1,0,0,0,0|1,0,1]=4 2482 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [1,1,0,0,0,0|1,0,1]=4 2483 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [1,1,0,0,0,0|1,0,1]=4 2484 B12R1.125 CC(=O)NNc1ccccc1Br 22a_100000241748_100000070787 [1,1,0,0,0,0|2,0,0]=4 2485 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [1,1,0,0,0,0|2,0,0]=4 2486 B12R1.125 CC(=O)NNc1ccccc1Cl 22a_100000683529_100000070787 [1,1,0,0,0,0|2,0,0]=4 2487 B12R1.125 CC(=O)NNc1ccccc1F 22a_100000239246_100000070787 [1,1,0,0,0,0|2,0,0]=4 2488 B12R1.125 CC(=O)NNc1ccccc1I 22a_100011218156_100000070787 [1,1,0,0,0,0|2,0,0]=4 2489 B12R1.125 CC(C)C=Cc1ccccc1Br 271570a_100016257149_100000695589 [1,1,0,0,0,0|1,0,1]=4 2490 B12R1.125 CC(C)C=Cc1ccccc1Cl 271570a_100016257149_100000764095 [1,1,0,0,0,0|1,0,1]=4 2491 B12R1.125 CC(C)C=Cc1ccccc1F 271570a_100016257149_100011215700 [1,1,0,0,0,0|1,0,1]=4 2492 B12R1.125 CC(C)C=Cc1ccccc1N 271570a_100016257149_100000210017 [1,1,0,0,0,0|1,0,1]=4 2493 B12R1.125 CC(C)C=Cc1ccccc1O 271570a_100016257149_100000739446 [1,1,0,0,0,0|1,0,1]=4 2494 B12R1.125 CC(O)C=Cc1ccccc1Br 271570a_200011019289_100000695589 [1,1,0,0,0,0|0,0,2]=4 2495 B12R1.125 CC(O)C=Cc1ccccc1Cl 271570a_200011019289_100000764095 [1,1,0,0,0,0|0,0,2]=4 2496 B12R1.125 CC(O)C=Cc1ccccc1F 271570a_200011019289_100011215700 [1,1,0,0,0,0|0,0,2]=4 2497 B12R1.125 CC(O)C=Cc1ccccc1N 271570a_200011019289_100000210017 [1,1,0,0,0,0|0,0,2]=4 2498 B12R1.125 CC(O)C=Cc1ccccc1O 271570a_200011019289_100000739446 [1,1,0,0,0,0|0,0,2]=4 2499 B12R1.125 Cc1ccccc1C=CC(C)C 271570a_100016257149_100000210755 [1,1,0,0,0,0|1,0,1]=4 2500 B12R1.125 Cc1ccccc1C=CC(C)O 271570a_200011019289_100000210755 [1,1,0,0,0,0|0,0,2]=4 2501 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [1,1,0,0,0,0|0,0,2]=4 2502 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [1,1,0,0,0,0|1,0,1]=4 2503 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [1,1,0,0,0,0|1,0,1]=4 2504 B12R1.125 [13CH3]C(=O)C#Cc1ccccc1F 1458a_100011892747_200025704644 [1,1,0,0,0,0|0,0,2]=4 2505 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [1,1,0,0,0,0|0,0,0]=2 2506 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [1,1,0,0,0,0|0,0,0]=2 2507 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [1,1,0,0,0,0|0,0,0]=2 2508 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [1,1,0,0,0,0|0,0,0]=2 2509 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [1,1,0,0,0,0|0,0,2]=4 2510 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [1,1,0,0,0,0|0,0,2]=4 2511 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [1,1,0,0,0,0|0,0,2]=4 2512 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [1,1,0,0,0,0|0,0,2]=4 2513 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [1,1,0,0,0,0|0,0,2]=4 2514 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [1,1,0,0,0,0|1,0,1]=4 2515 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [1,1,0,0,0,0|1,0,1]=4 2516 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [1,1,0,0,0,0|1,0,1]=4 2517 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [1,1,0,0,0,0|1,0,1]=4 2518 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [1,1,0,0,0,0|1,0,1]=4 2519 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [1,1,0,0,0,0|1,0,1]=4 2520 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [1,1,0,0,0,0|0,0,0]=2 2521 B12R1.226 CC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200000210301 [1,1,0,0,0,0|0,0,2]=4 2522 B12R1.226 CC(=O)C#Cc1cccc(c1)C 1458a_100011892726_200000210301 [1,1,0,0,0,0|0,0,2]=4 2523 B12R1.226 CC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200000210301 [1,1,0,0,0,0|0,0,2]=4 2524 B12R1.226 CC(=O)C#Cc1cccc(c1)F 1458a_100011892744_200000210301 [1,1,0,0,0,0|0,0,2]=4 2525 B12R1.226 CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_200000210301 [1,1,0,0,0,0|0,0,2]=4 2526 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [1,1,0,0,0,0|0,0,0]=2 2527 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [1,1,0,0,0,0|0,0,0]=2 2528 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [1,1,0,0,0,0|0,0,0]=2 2529 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [1,1,0,0,0,0|0,0,0]=2 2530 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [1,1,0,0,0,0|0,0,0]=2 2531 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [1,1,0,0,0,0|0,0,2]=4 2532 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [1,1,0,0,0,0|0,0,2]=4 2533 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [1,1,0,0,0,0|0,0,2]=4 2534 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [1,1,0,0,0,0|0,0,2]=4 2535 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [1,1,0,0,0,0|0,0,2]=4 2536 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [1,1,0,0,0,0|0,0,2]=4 2537 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [1,1,0,0,0,0|0,0,2]=4 2538 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [1,1,0,0,0,0|0,0,2]=4 2539 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [1,1,0,0,0,0|0,0,2]=4 2540 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [1,1,0,0,0,0|0,0,2]=4 2541 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [1,1,0,0,0,0|0,0,2]=4 2542 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [1,1,0,0,0,0|1,0,1]=4 2543 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [1,1,0,0,0,0|1,0,1]=4 2544 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [1,1,0,0,0,0|1,0,1]=4 2545 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [1,1,0,0,0,0|1,0,1]=4 2546 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [1,1,0,0,0,0|1,0,1]=4 2547 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [1,1,0,0,0,0|1,0,1]=4 2548 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [1,1,0,0,0,0|1,0,1]=4 2549 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [1,1,0,0,0,0|1,0,1]=4 2550 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [1,1,0,0,0,0|1,0,1]=4 2551 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [1,1,0,0,0,0|1,0,1]=4 2552 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [1,1,0,0,0,0|1,0,1]=4 2553 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [1,1,0,0,0,0|1,0,1]=4 2554 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [1,1,0,0,0,0|1,0,1]=4 2555 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [1,1,0,0,0,0|1,0,1]=4 2556 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [1,1,0,0,0,0|1,0,1]=4 2557 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [1,1,0,0,0,0|1,0,1]=4 2558 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [1,1,0,0,0,0|1,0,1]=4 2559 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [1,1,0,0,0,0|1,0,1]=4 2560 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [1,1,0,0,0,0|1,0,1]=4 2561 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [1,1,0,0,0,0|1,0,1]=4 2562 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [1,1,0,0,0,0|1,0,1]=4 2563 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [1,1,0,0,0,0|1,0,1]=4 2564 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [1,1,0,0,0,0|1,0,1]=4 2565 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [1,1,0,0,0,0|1,0,1]=4 2566 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [1,1,0,0,0,0|1,0,1]=4 2567 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [1,1,0,0,0,0|1,0,1]=4 2568 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [1,1,0,0,0,0|1,0,1]=4 2569 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [1,1,0,0,0,0|1,0,1]=4 2570 B12R1.226 CC(=O)NNc1cccc(c1)Br 22a_100000217339_100000070787 [1,1,0,0,0,0|2,0,0]=4 2571 B12R1.226 CC(=O)NNc1cccc(c1)C 22a_100000681630_100000070787 [1,1,0,0,0,0|2,0,0]=4 2572 B12R1.226 CC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000070787 [1,1,0,0,0,0|2,0,0]=4 2573 B12R1.226 CC(=O)NNc1cccc(c1)F 22a_100000745080_100000070787 [1,1,0,0,0,0|2,0,0]=4 2574 B12R1.226 CC(=O)NNc1cccc(c1)I 22a_100020605690_100000070787 [1,1,0,0,0,0|2,0,0]=4 2575 B12R1.226 CC(C)C=Cc1cccc(c1)Br 271570a_100016257149_100000691529 [1,1,0,0,0,0|1,0,1]=4 2576 B12R1.226 CC(C)C=Cc1cccc(c1)Cl 271570a_100016257149_100000699651 [1,1,0,0,0,0|1,0,1]=4 2577 B12R1.226 CC(C)C=Cc1cccc(c1)F 271570a_100016257149_100000685547 [1,1,0,0,0,0|1,0,1]=4 2578 B12R1.226 CC(C)C=Cc1cccc(c1)N 271570a_100016257149_100000210019 [1,1,0,0,0,0|1,0,1]=4 2579 B12R1.226 CC(C)C=Cc1cccc(c1)O 271570a_100016257149_100000211634 [1,1,0,0,0,0|1,0,1]=4 2580 B12R1.226 CC(C)C=Cc1cccc(c1)[S] 271570a_100016257149_114929384022 [1,1,0,0,0,0|1,0,1]=4 2581 B12R1.226 CC(O)C=Cc1cccc(c1)Br 271570a_200011019289_100000691529 [1,1,0,0,0,0|0,0,2]=4 2582 B12R1.226 CC(O)C=Cc1cccc(c1)Cl 271570a_200011019289_100000699651 [1,1,0,0,0,0|0,0,2]=4 2583 B12R1.226 CC(O)C=Cc1cccc(c1)F 271570a_200011019289_100000685547 [1,1,0,0,0,0|0,0,2]=4 2584 B12R1.226 CC(O)C=Cc1cccc(c1)N 271570a_200011019289_100000210019 [1,1,0,0,0,0|0,0,2]=4 2585 B12R1.226 CC(O)C=Cc1cccc(c1)O 271570a_200011019289_100000211634 [1,1,0,0,0,0|0,0,2]=4 2586 B12R1.226 CC(O)C=Cc1cccc(c1)[S] 271570a_200011019289_114929384022 [1,1,0,0,0,0|0,0,2]=4 2587 B12R1.226 Cc1cccc(c1)C#CC(=O)[13CH3] 1458a_100011892726_200025704644 [1,1,0,0,0,0|0,0,2]=4 2588 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [1,1,0,0,0,0|0,0,0]=2 2589 B12R1.226 Cc1cccc(c1)C=CC(C)C 271570a_100016257149_100011215228 [1,1,0,0,0,0|1,0,1]=4 2590 B12R1.226 Cc1cccc(c1)C=CC(C)O 271570a_200011019289_100011215228 [1,1,0,0,0,0|0,0,2]=4 2591 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [1,1,0,0,0,0|0,0,2]=4 2592 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [1,1,0,0,0,0|1,0,1]=4 2593 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200025704644 [1,1,0,0,0,0|0,0,2]=4 2594 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200025704644 [1,1,0,0,0,0|0,0,2]=4 2595 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)F 1458a_100011892744_200025704644 [1,1,0,0,0,0|0,0,2]=4 2596 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)O 1458a_200009909484_200025704644 [1,1,0,0,0,0|0,0,2]=4 2597 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [1,1,0,0,0,0|0,0,0]=2 2598 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [1,1,0,0,0,0|0,0,0]=2 2599 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [1,1,0,0,0,0|0,0,0]=2 2600 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [1,1,0,0,0,0|0,0,0]=2 2601 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [1,1,0,0,0,0|0,0,2]=4 2602 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [1,1,0,0,0,0|0,0,2]=4 2603 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [1,1,0,0,0,0|0,0,2]=4 2604 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [1,1,0,0,0,0|0,0,2]=4 2605 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [1,1,0,0,0,0|0,0,2]=4 2606 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [1,1,0,0,0,0|1,0,1]=4 2607 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [1,1,0,0,0,0|1,0,1]=4 2608 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [1,1,0,0,0,0|1,0,1]=4 2609 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [1,1,0,0,0,0|1,0,1]=4 2610 B12R1.891 CC(C)(C)C=Cc1ccccc1 271570a_100102527731_100000210277 [1,1,0,0,0,0|1,0,1]=4 2611 B12R1.891 CC(C)(O)C=Cc1ccccc1 271570a_200016258132_100000210277 [1,1,0,0,0,0|0,0,2]=4 2612 B12R1.26 CCC(=O)C=Cc1cc(c[nH]1)I 6a_100000071964_100000211110 [0,1,0,0,1,0|2,0,0]=4 2613 B12R1.26 CCC(=O)C=Cc1cc(co1)Br 6a_100000747035_100000211110 [0,1,0,0,1,0|2,0,0]=4 2614 B12R1.26 CCC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_100000210202 [0,1,0,0,1,0|2,0,0]=4 2615 B12R1.26 CCC(=O)C=Cc1cc(cs1)Br 6a_100000211722_100000211110 [0,1,0,0,1,0|2,0,0]=4 2616 B12R1.26 CCC(=O)C=Cc1cc(cs1)I 6a_100010179861_100000211110 [0,1,0,0,1,0|2,0,0]=4 2617 B12R1.26 CCC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_100000210202 [0,1,0,0,1,0|2,0,0]=4 2618 B12R1.26 CCC(=O)C=Cc1ccc(o1)C 1458a_100000183563_100000210202 [0,1,0,0,1,0|2,0,0]=4 2619 B12R1.26 CCC(=O)C=Cc1ccc(o1)I 1458a_100000679848_100000210202 [0,1,0,0,1,0|2,0,0]=4 2620 B12R1.26 CCC(=O)C=Cc1ccc(o1)I 6a_100000186757_100000211110 [0,1,0,0,1,0|2,0,0]=4 2621 B12R1.26 CCC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_100000210202 [0,1,0,0,1,0|2,0,0]=4 2622 B12R1.26 CCC(=O)C=Cc1ccc(s1)C 1458a_100102558089_100000210202 [0,1,0,0,1,0|2,0,0]=4 2623 B12R1.26 CCC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_100000210202 [0,1,0,0,1,0|2,0,0]=4 2624 B12R1.26 CCC(=O)C=Cc1csc(c1)Br 6a_100000737087_100000211110 [0,1,0,0,1,0|2,0,0]=4 2625 B12R1.26 CNC(=O)C=Cc1cc(cs1)Br 11a_106832991635_100102601599 [0,1,0,0,1,0|2,0,0]=4 2626 B12R1.26 CNC(=O)C=Cc1cc(cs1)Br 1626a_100102657272_100102601599 [0,1,0,0,1,0|2,0,0]=4 2627 B12R1.26 CNC(=O)C=Cc1cc(cs1)Br 240690a_100102657272_100102601599 [0,1,0,0,1,0|2,0,0]=4 2628 B12R1.26 CNC(=O)C=Cc1ccc(o1)Br 11a_106832991635_100000182240 [0,1,0,0,1,0|2,0,0]=4 2629 B12R1.26 CNC(=O)C=Cc1ccc(o1)Br 240690a_100102657272_100000182240 [0,1,0,0,1,0|2,0,0]=4 2630 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 11a_106832991635_100000183563 [0,1,0,0,1,0|2,0,0]=4 2631 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 1626a_100102657272_100000183563 [0,1,0,0,1,0|2,0,0]=4 2632 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 240690a_100102657272_100000183563 [0,1,0,0,1,0|2,0,0]=4 2633 B12R1.26 CNC(=O)C=Cc1ccc(o1)C 527a_100102657272_100000183563 [0,1,0,0,1,0|2,0,0]=4 2634 B12R1.26 CNC(=O)C=Cc1ccc(o1)I 11a_106832991635_100000679848 [0,1,0,0,1,0|2,0,0]=4 2635 B12R1.26 CNC(=O)C=Cc1ccc(o1)I 1626a_100102657272_100000679848 [0,1,0,0,1,0|2,0,0]=4 2636 B12R1.26 CNC(=O)C=Cc1ccc(o1)I 240690a_100102657272_100000679848 [0,1,0,0,1,0|2,0,0]=4 2637 B12R1.26 CNC(=O)C=Cc1ccc(s1)Br 11a_106832991635_100102558031 [0,1,0,0,1,0|2,0,0]=4 2638 B12R1.26 CNC(=O)C=Cc1ccc(s1)Br 1626a_100102657272_100102558031 [0,1,0,0,1,0|2,0,0]=4 2639 B12R1.26 CNC(=O)C=Cc1ccc(s1)Br 240690a_100102657272_100102558031 [0,1,0,0,1,0|2,0,0]=4 2640 B12R1.26 CNC(=O)C=Cc1ccc(s1)C 11a_106832991635_100102558089 [0,1,0,0,1,0|2,0,0]=4 2641 B12R1.26 CNC(=O)C=Cc1ccc(s1)C 1626a_100102657272_100102558089 [0,1,0,0,1,0|2,0,0]=4 2642 B12R1.26 CNC(=O)C=Cc1ccc(s1)C 240690a_100102657272_100102558089 [0,1,0,0,1,0|2,0,0]=4 2643 B12R1.26 CNC(=O)C=Cc1ccc(s1)Cl 11a_106832991635_100102558157 [0,1,0,0,1,0|2,0,0]=4 2644 B12R1.26 CNC(=O)C=Cc1ccc(s1)Cl 1626a_100102657272_100102558157 [0,1,0,0,1,0|2,0,0]=4 2645 B12R1.26 CNC(=O)C=Cc1ccc(s1)Cl 240690a_100102657272_100102558157 [0,1,0,0,1,0|2,0,0]=4 2646 B12R1.26 COC(=O)/C=C/c1ccc(o1)O 271570a_203496583355_100000150861 [0,1,0,0,1,0|1,0,0]=3 2647 B12R1.51 CCCC(=O)C=Cc1cccs1 1458a_100000182767_100000210303 [0,1,0,0,1,0|2,0,0]=4 2648 B12R1.51 CCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210303 [0,1,0,0,1,0|2,0,0]=4 2649 B12R1.51 CCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210303 [0,1,0,0,1,0|2,0,0]=4 2650 B12R1.51 CCNC(=O)C=Cc1cccs1 11a_100015525214_100000182767 [0,1,0,0,1,0|2,0,0]=4 2651 B12R1.51 CCNC(=O)C=Cc1cccs1 240690a_100015525214_100000182767 [0,1,0,0,1,0|2,0,0]=4 2652 B12R1.51 CCNC(=O)C=Cc1ccoc1 11a_100015525214_100000238621 [0,1,0,0,1,0|2,0,0]=4 2653 B12R1.51 CCNC(=O)C=Cc1ccoc1 240690a_100015525214_100000238621 [0,1,0,0,1,0|2,0,0]=4 2654 B12R1.51 CCNC(=O)C=Cc1ccsc1 11a_100015525214_100000698588 [0,1,0,0,1,0|2,0,0]=4 2655 B12R1.51 CCNC(=O)C=Cc1ccsc1 240690a_100015525214_100000698588 [0,1,0,0,1,0|2,0,0]=4 2656 B12R1.51 CCNC(=O)C=Cc1ccsc1 527a_100015525214_100000698588 [0,1,0,0,1,0|2,0,0]=4 2657 B12R1.51 CCOC(=O)C=Cc1c[nH]cn1 271570a_100010199719_100000756875 [0,1,0,0,1,0|2,0,0]=4 2658 B12R1.51 CCOC(=O)C=Cc1cc[nH]n1 271570a_100010199719_100000062575 [0,1,0,0,1,0|2,0,0]=4 2659 B12R1.51 CCOC(=O)C=Cc1ccco1 271570a_100010199719_100009814098 [0,1,0,0,1,0|1,0,0]=3 2660 B12R1.51 CCOC(=O)C=Cc1cccs1 271570a_100010199719_100011215356 [0,1,0,0,1,0|1,0,0]=3 2661 B12R1.51 CCOC(=O)C=Cc1ccoc1 271570a_100010199719_100011215275 [0,1,0,0,1,0|1,0,0]=3 2662 B12R1.51 CCOC(=O)C=Cc1ccsc1 271570a_100010199719_100000738268 [0,1,0,0,1,0|1,0,0]=3 2663 B12R1.51 CCOC(=O)C=Cc1ccsn1 271570a_100010199719_100009818082 [0,1,0,0,1,0|2,0,0]=4 2664 B12R1.51 CCOC(=O)C=Cc1cn[nH]c1 271570a_100010199719_100000238712 [0,1,0,0,1,0|2,0,0]=4 2665 B12R1.51 CCOC(=O)C=Cc1cnco1 271570a_100010199719_100020591547 [0,1,0,0,1,0|2,0,0]=4 2666 B12R1.51 CCOC(=O)C=Cc1cncs1 271570a_100010199719_100011934649 [0,1,0,0,1,0|2,0,0]=4 2667 B12R1.51 CCOC(=O)C=Cc1cnoc1 271570a_100010199719_100009815712 [0,1,0,0,1,0|2,0,0]=4 2668 B12R1.51 CCOC(=O)C=Cc1cnsc1 271570a_100010199719_100009815736 [0,1,0,0,1,0|2,0,0]=4 2669 B12R1.51 CCOC(=O)C=Cc1cscn1 271570a_100010199719_100000751502 [0,1,0,0,1,0|2,0,0]=4 2670 B12R1.51 CCOC(=O)C=Cc1ncc[nH]1 271570a_100010199719_100025796157 [0,1,0,0,1,0|2,0,0]=4 2671 B12R1.51 CCOC(=O)C=Cc1ncco1 271570a_100010199719_100011787736 [0,1,0,0,1,0|2,0,0]=4 2672 B12R1.51 CCOC(=O)C=Cc1nccs1 271570a_100010199719_100000211983 [0,1,0,0,1,0|2,0,0]=4 2673 B12R1.51 CNNC(=O)C=Cc1ccco1 22a_100016993582_100000720202 [0,1,0,0,1,0|2,0,0]=4 2674 B12R1.51 CNNC(=O)C=Cc1cccs1 22a_100016993582_100000182767 [0,1,0,0,1,0|2,0,0]=4 2675 B12R1.51 CNNC(=O)C=Cc1ccoc1 22a_100016993582_100000238621 [0,1,0,0,1,0|2,0,0]=4 2676 B12R1.51 CNNC(=O)C=Cc1ccsc1 22a_100016993582_100000698588 [0,1,0,0,1,0|2,0,0]=4 2677 B12R1.51 COCC(=O)C=Cc1nccs1 6a_100000750902_100000211753 [0,1,0,0,1,0|2,0,0]=4 2678 B12R1.51 O=C(C=Cc1cccs1)CCF 1458a_100000182767_100011217306 [0,1,0,0,1,0|2,0,0]=4 2679 B12R1.51 O=C(C=Cc1cccs1)CCO 1458a_100000182767_100000211926 [0,1,0,0,1,0|2,0,0]=4 2680 B12R1.51 O=C(C=Cc1ccoc1)CCF 1458a_100000238621_100011217306 [0,1,0,0,1,0|2,0,0]=4 2681 B12R1.51 O=C(C=Cc1ccoc1)CCO 1458a_100000238621_100000211926 [0,1,0,0,1,0|2,0,0]=4 2682 B12R1.51 O=C(C=Cc1ccsc1)CCF 1458a_100000698588_100011217306 [0,1,0,0,1,0|2,0,0]=4 2683 B12R1.51 O=C(C=Cc1ccsc1)CCO 1458a_100000698588_100000211926 [0,1,0,0,1,0|2,0,0]=4 2684 B12R1.108 CCC(=O)C(=Cc1ccco1)C 1458a_100011995979_100000210202 [0,1,0,0,1,0|2,0,0]=4 2685 B12R1.108 CNC(=O)C(=Cc1ccco1)C 11a_106832991635_100011995979 [0,1,0,0,1,0|2,0,0]=4 2686 B12R1.108 CNC(=O)C(=Cc1ccco1)C 1626a_100102657272_100011995979 [0,1,0,0,1,0|2,0,0]=4 2687 B12R1.108 CNC(=O)C(=Cc1ccco1)C 527a_100102657272_100011995979 [0,1,0,0,1,0|2,0,0]=4 2688 B12R1.264 CC(C)C(=O)C=Cc1cccs1 1458a_100000182767_100000210206 [0,1,0,0,1,0|2,0,0]=4 2689 B12R1.264 CC(C)C(=O)C=Cc1ccoc1 1458a_100000238621_100000210206 [0,1,0,0,1,0|2,0,0]=4 2690 B12R1.264 CC(C)C(=O)C=Cc1ccsc1 1458a_100000698588_100000210206 [0,1,0,0,1,0|2,0,0]=4 2691 B12R1.264 CN(C)C(=O)C=Cc1cccs1 11a_100102631434_100000182767 [0,1,0,0,1,0|2,0,0]=4 2692 B12R1.264 CN(C)C(=O)C=Cc1cccs1 1626a_100102631434_100000182767 [0,1,0,0,1,0|2,0,0]=4 2693 B12R1.264 CN(C)C(=O)C=Cc1cccs1 240690a_100102631434_100000182767 [0,1,0,0,1,0|2,0,0]=4 2694 B12R1.264 CN(C)C(=O)C=Cc1ccoc1 11a_100102631434_100000238621 [0,1,0,0,1,0|2,0,0]=4 2695 B12R1.264 CN(C)C(=O)C=Cc1ccoc1 1626a_100102631434_100000238621 [0,1,0,0,1,0|2,0,0]=4 2696 B12R1.264 CN(C)C(=O)C=Cc1ccoc1 240690a_100102631434_100000238621 [0,1,0,0,1,0|2,0,0]=4 2697 B12R1.264 CN(C)C(=O)C=Cc1ccsc1 11a_100102631434_100000698588 [0,1,0,0,1,0|2,0,0]=4 2698 B12R1.264 CN(C)C(=O)C=Cc1ccsc1 1626a_100102631434_100000698588 [0,1,0,0,1,0|2,0,0]=4 2699 B12R1.264 CN(C)C(=O)C=Cc1ccsc1 240690a_100102631434_100000698588 [0,1,0,0,1,0|2,0,0]=4 2700 B12R1.264 CN(C)C(=O)C=Cc1ccsc1 527a_100102631434_100000698588 [0,1,0,0,1,0|2,0,0]=4 2701 B12R1.353 CCC(=O)C=Cc1sccc1C 1458a_100000185125_100000210202 [0,1,0,0,1,0|2,0,0]=4 2702 B12R1.353 CNC(=O)C=Cc1sccc1C 11a_106832991635_100000185125 [0,1,0,0,1,0|2,0,0]=4 2703 B12R1.353 CNC(=O)C=Cc1sccc1C 1626a_100102657272_100000185125 [0,1,0,0,1,0|2,0,0]=4 2704 B12R1.353 CNC(=O)C=Cc1sccc1C 240690a_100102657272_100000185125 [0,1,0,0,1,0|2,0,0]=4 2705 B12R1.353 CNC(=O)C=Cc1sccc1C 527a_100102657272_100000185125 [0,1,0,0,1,0|2,0,0]=4 2706 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [0,1,0,0,1,0|1,0,0]=3 2707 B12R1.34 C=C(C(=O)CF)c1ccccc1 1458a_100000065200_100015361967 [0,1,0,0,1,0|2,0,0]=4 2708 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,1,0,0,1,0|1,0,0]=3 2709 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,0,0,1,0|1,0,1]=4 2710 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,1,0,0,1,0|1,0,1]=4 2711 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [0,1,0,0,1,0|2,0,0]=4 2712 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [0,1,0,0,1,0|2,0,0]=4 2713 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [0,1,0,0,1,0|2,0,0]=4 2714 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,0,0,1,0|1,0,1]=4 2715 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,1,0,0,1,0|1,0,1]=4 2716 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,1,0,0,1,0|1,0,1]=4 2717 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,1,0,0,1,0|1,0,1]=4 2718 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,1,0,0,1,0|1,0,1]=4 2719 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,1,0,0,1,0|1,0,1]=4 2720 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,1,0,0,1,0|2,0,0]=4 2721 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,1,0,0,1,0|1,0,1]=4 2722 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,1,0,0,1,0|1,0,1]=4 2723 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,1,0,0,1,0|1,0,1]=4 2724 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,1,0,0,1,0|1,0,1]=4 2725 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,1,0,0,1,0|1,0,1]=4 2726 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,1,0,0,1,0|1,0,1]=4 2727 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,1,0,0,1,0|1,0,1]=4 2728 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,1,0,0,1,0|1,0,1]=4 2729 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,1,0,0,1,0|1,0,1]=4 2730 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,1,0,0,1,0|1,0,1]=4 2731 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,1,0,0,1,0|1,0,1]=4 2732 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,1,0,0,1,0|1,0,1]=4 2733 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,1,0,0,1,0|1,0,1]=4 2734 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,1,0,0,1,0|1,0,1]=4 2735 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,1,0,0,1,0|1,0,1]=4 2736 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,1,0,0,1,0|1,0,1]=4 2737 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000210414 [0,1,0,0,1,0|2,0,0]=4 2738 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000210414 [0,1,0,0,1,0|2,0,0]=4 2739 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000210414 [0,1,0,0,1,0|2,0,0]=4 2740 B12R1.49 CCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000210414 [0,1,0,0,1,0|2,0,0]=4 2741 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [0,1,0,0,1,0|2,0,0]=4 2742 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [0,1,0,0,1,0|2,0,0]=4 2743 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [0,1,0,0,1,0|2,0,0]=4 2744 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [0,1,0,0,1,0|2,0,0]=4 2745 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000210414 [0,1,0,0,1,0|2,0,0]=4 2746 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000210414 [0,1,0,0,1,0|2,0,0]=4 2747 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000210414 [0,1,0,0,1,0|2,0,0]=4 2748 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000210414 [0,1,0,0,1,0|2,0,0]=4 2749 B12R1.49 CCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000210414 [0,1,0,0,1,0|2,0,0]=4 2750 B12R1.49 CCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000210414 [0,1,0,0,1,0|2,0,0]=4 2751 B12R1.49 CCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000210414 [0,1,0,0,1,0|2,0,0]=4 2752 B12R1.49 CCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000210414 [0,1,0,0,1,0|2,0,0]=4 2753 B12R1.49 CCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000210414 [0,1,0,0,1,0|2,0,0]=4 2754 B12R1.49 CCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000210414 [0,1,0,0,1,0|2,0,0]=4 2755 B12R1.49 CCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000210414 [0,1,0,0,1,0|2,0,0]=4 2756 B12R1.49 CCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000210414 [0,1,0,0,1,0|2,0,0]=4 2757 B12R1.49 CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000210414 [0,1,0,0,1,0|2,0,0]=4 2758 B12R1.49 CCC(=O)Oc1ccc(cc1)O 271570a_203496583355_200009811598 [0,1,0,0,1,0|2,0,0]=4 2759 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,1,0,0,1,0|1,0,1]=4 2760 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,1,0,0,1,0|1,0,1]=4 2761 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,1,0,0,1,0|1,0,1]=4 2762 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,1,0,0,1,0|1,0,1]=4 2763 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,1,0,0,1,0|1,0,1]=4 2764 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,1,0,0,1,0|1,0,1]=4 2765 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,1,0,0,1,0|1,0,1]=4 2766 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,1,0,0,1,0|1,0,1]=4 2767 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,1,0,0,1,0|1,0,1]=4 2768 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,1,0,0,1,0|1,0,1]=4 2769 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,1,0,0,1,0|1,0,1]=4 2770 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,1,0,0,1,0|1,0,1]=4 2771 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,1,0,0,1,0|1,0,1]=4 2772 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,1,0,0,1,0|1,0,1]=4 2773 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,1,0,0,1,0|1,0,1]=4 2774 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,1,0,0,1,0|1,0,1]=4 2775 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,1,0,0,1,0|1,0,1]=4 2776 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,1,0,0,1,0|1,0,1]=4 2777 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,1,0,0,1,0|1,0,1]=4 2778 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,1,0,0,1,0|1,0,1]=4 2779 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,1,0,0,1,0|1,0,1]=4 2780 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [0,1,0,0,1,0|2,0,0]=4 2781 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,1,0,0,1,0|2,0,0]=4 2782 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [0,1,0,0,1,0|2,0,0]=4 2783 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [0,1,0,0,1,0|2,0,0]=4 2784 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [0,1,0,0,1,0|2,0,0]=4 2785 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,1,0,0,1,0|2,0,0]=4 2786 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,1,0,0,1,0|0,0,1]=3 2787 B12R1.49 COC(=O)Cc1ccc(cn1)O 271570a_203496583355_100012362609 [0,1,0,0,1,0|1,0,1]=4 2788 B12R1.49 COC(=O)Cc1ccc(nc1)O 271570a_203496583355_100000071674 [0,1,0,0,1,0|1,0,1]=4 2789 B12R1.49 COC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000181880 [0,1,0,0,1,0|1,0,0]=3 2790 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [0,1,0,0,1,0|2,0,0]=4 2791 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [0,1,0,0,1,0|1,0,1]=4 2792 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [0,1,0,0,1,0|1,0,1]=4 2793 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,1,0,0,1,0|1,0,1]=4 2794 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,1,0,0,1,0|1,0,1]=4 2795 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [0,1,0,0,1,0|1,0,1]=4 2796 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [0,1,0,0,1,0|1,0,1]=4 2797 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [0,1,0,0,1,0|1,0,1]=4 2798 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [0,1,0,0,1,0|1,0,1]=4 2799 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [0,1,0,0,1,0|1,0,1]=4 2800 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [0,1,0,0,1,0|1,0,1]=4 2801 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,1,0,0,1,0|1,0,1]=4 2802 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,1,0,0,1,0|1,0,1]=4 2803 B12R1.50 CCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000210414 [0,1,0,0,1,0|2,0,0]=4 2804 B12R1.50 CCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000210414 [0,1,0,0,1,0|2,0,0]=4 2805 B12R1.50 CCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000210414 [0,1,0,0,1,0|2,0,0]=4 2806 B12R1.50 CCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000210414 [0,1,0,0,1,0|2,0,0]=4 2807 B12R1.50 CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210414 [0,1,0,0,1,0|2,0,0]=4 2808 B12R1.50 CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210414 [0,1,0,0,1,0|2,0,0]=4 2809 B12R1.50 CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210414 [0,1,0,0,1,0|2,0,0]=4 2810 B12R1.50 CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210414 [0,1,0,0,1,0|2,0,0]=4 2811 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000210414 [0,1,0,0,1,0|2,0,0]=4 2812 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000210414 [0,1,0,0,1,0|2,0,0]=4 2813 B12R1.50 CCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000210414 [0,1,0,0,1,0|2,0,0]=4 2814 B12R1.50 CCC(=O)Nc1cccc(c1)F 11a_100000210047_100000210414 [0,1,0,0,1,0|2,0,0]=4 2815 B12R1.50 CCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000210414 [0,1,0,0,1,0|2,0,0]=4 2816 B12R1.50 CCC(=O)Nc1cccc(c1)F 22a_100000210047_100000210414 [0,1,0,0,1,0|2,0,0]=4 2817 B12R1.50 CCC(=O)Nc1cccc(c1)F 527a_100000210047_100000210414 [0,1,0,0,1,0|2,0,0]=4 2818 B12R1.50 CCC(=O)Nc1cccc(c1)I 11a_100000211102_100000210414 [0,1,0,0,1,0|2,0,0]=4 2819 B12R1.50 CCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000210414 [0,1,0,0,1,0|2,0,0]=4 2820 B12R1.50 CCC(=O)Nc1cccc(c1)I 22a_100000211102_100000210414 [0,1,0,0,1,0|2,0,0]=4 2821 B12R1.50 CCC(=O)Nc1cccc(c1)I 527a_100000211102_100000210414 [0,1,0,0,1,0|2,0,0]=4 2822 B12R1.50 CCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000210414 [0,1,0,0,1,0|2,0,0]=4 2823 B12R1.50 CCC(=O)Nc1cccc(c1)O 22a_100000210217_100000210414 [0,1,0,0,1,0|2,0,0]=4 2824 B12R1.50 CCC(=O)Nc1cccc(c1)O 527a_100000210217_100000210414 [0,1,0,0,1,0|2,0,0]=4 2825 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,1,0,0,1,0|1,0,1]=4 2826 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,1,0,0,1,0|1,0,1]=4 2827 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,1,0,0,1,0|1,0,1]=4 2828 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,1,0,0,1,0|1,0,1]=4 2829 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,1,0,0,1,0|1,0,1]=4 2830 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,1,0,0,1,0|1,0,1]=4 2831 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,1,0,0,1,0|1,0,1]=4 2832 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,1,0,0,1,0|1,0,1]=4 2833 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,1,0,0,1,0|1,0,1]=4 2834 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,1,0,0,1,0|1,0,1]=4 2835 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,1,0,0,1,0|1,0,1]=4 2836 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,1,0,0,1,0|1,0,1]=4 2837 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,1,0,0,1,0|1,0,1]=4 2838 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,1,0,0,1,0|1,0,1]=4 2839 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,1,0,0,1,0|1,0,1]=4 2840 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,1,0,0,1,0|1,0,1]=4 2841 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,1,0,0,1,0|1,0,1]=4 2842 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,1,0,0,1,0|1,0,1]=4 2843 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,1,0,0,1,0|1,0,1]=4 2844 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,1,0,0,1,0|1,0,1]=4 2845 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,1,0,0,1,0|1,0,1]=4 2846 B12R1.50 CNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100102657272 [0,1,0,0,1,0|2,0,0]=4 2847 B12R1.50 CNC(=O)Nc1cccc(c1)Br 512a_100000210019_100102657272 [0,1,0,0,1,0|2,0,0]=4 2848 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,1,0,0,1,0|2,0,0]=4 2849 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,1,0,0,1,0|2,0,0]=4 2850 B12R1.50 CNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100102657272 [0,1,0,0,1,0|2,0,0]=4 2851 B12R1.50 CNC(=O)Nc1cccc(c1)F 2430a_100000210047_100102657272 [0,1,0,0,1,0|2,0,0]=4 2852 B12R1.50 CNC(=O)Nc1cccc(c1)F 512a_100000210047_100102657272 [0,1,0,0,1,0|2,0,0]=4 2853 B12R1.50 CNC(=O)Nc1cccc(c1)I 2430a_100000211102_100102657272 [0,1,0,0,1,0|2,0,0]=4 2854 B12R1.50 CNC(=O)Nc1cccc(c1)I 512a_100000211102_100102657272 [0,1,0,0,1,0|2,0,0]=4 2855 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [0,1,0,0,1,0|2,0,0]=4 2856 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [0,1,0,0,1,0|2,0,0]=4 2857 B12R1.50 COC(=O)Cc1cc(ccn1)O 271570a_203496583355_100010275543 [0,1,0,0,1,0|1,0,1]=4 2858 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [0,1,0,0,1,0|0,0,1]=3 2859 B12R1.50 COC(=O)Cc1cccc(n1)O 271570a_203496583355_100000094215 [0,1,0,0,1,0|1,0,1]=4 2860 B12R1.50 COC(=O)Cc1ccnc(c1)O 271570a_203496583355_100010135589 [0,1,0,0,1,0|1,0,1]=4 2861 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,1,0,0,1,0|1,0,1]=4 2862 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,1,0,0,1,0|1,0,1]=4 2863 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,1,0,0,1,0|1,0,1]=4 2864 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,1,0,0,1,0|1,0,1]=4 2865 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,1,0,0,1,0|1,0,1]=4 2866 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,1,0,0,1,0|1,0,1]=4 2867 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,1,0,0,1,0|1,0,1]=4 2868 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,1,0,0,1,0|1,0,1]=4 2869 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,1,0,0,1,0|1,0,1]=4 2870 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,1,0,0,1,0|1,0,1]=4 2871 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,1,0,0,1,0|1,0,1]=4 2872 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [0,1,0,0,1,0|2,0,0]=4 2873 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,1,0,0,1,0|2,0,0]=4 2874 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,1,0,0,1,0|2,0,0]=4 2875 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,1,0,0,1,0|2,0,0]=4 2876 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,1,0,0,1,0|2,0,0]=4 2877 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,1,0,0,1,0|2,0,0]=4 2878 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,1,0,0,1,0|2,0,0]=4 2879 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,1,0,0,1,0|2,0,0]=4 2880 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,1,0,0,1,0|2,0,0]=4 2881 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,1,0,0,1,0|2,0,0]=4 2882 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,1,0,0,1,0|2,0,0]=4 2883 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,1,0,0,1,0|2,0,0]=4 2884 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,1,0,0,1,0|2,0,0]=4 2885 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,1,0,0,1,0|2,0,0]=4 2886 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,1,0,0,1,0|2,0,0]=4 2887 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,1,0,0,1,0|2,0,0]=4 2888 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,1,0,0,1,0|2,0,0]=4 2889 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,1,0,0,1,0|2,0,0]=4 2890 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,1,0,0,1,0|2,0,0]=4 2891 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,1,0,0,1,0|1,0,1]=4 2892 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,1,0,0,1,0|1,0,1]=4 2893 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,1,0,0,1,0|1,0,1]=4 2894 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,1,0,0,1,0|1,0,1]=4 2895 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,1,0,0,1,0|1,0,1]=4 2896 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,1,0,0,1,0|1,0,1]=4 2897 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,1,0,0,1,0|1,0,1]=4 2898 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,1,0,0,1,0|1,0,1]=4 2899 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,1,0,0,1,0|1,0,1]=4 2900 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,1,0,0,1,0|1,0,1]=4 2901 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,1,0,0,1,0|1,0,1]=4 2902 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,1,0,0,1,0|1,0,1]=4 2903 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,1,0,0,1,0|1,0,1]=4 2904 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,1,0,0,1,0|1,0,1]=4 2905 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,1,0,0,1,0|1,0,1]=4 2906 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,1,0,0,1,0|1,0,1]=4 2907 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,1,0,0,1,0|1,0,1]=4 2908 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,1,0,0,1,0|1,0,1]=4 2909 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,1,0,0,1,0|1,0,1]=4 2910 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,1,0,0,1,0|1,0,1]=4 2911 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,1,0,0,1,0|1,0,1]=4 2912 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,1,0,0,1,0|1,0,1]=4 2913 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,1,0,0,1,0|2,0,0]=4 2914 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,1,0,0,1,0|2,0,0]=4 2915 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,1,0,0,1,0|2,0,0]=4 2916 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,1,0,0,1,0|2,0,0]=4 2917 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,1,0,0,1,0|2,0,0]=4 2918 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,1,0,0,1,0|2,0,0]=4 2919 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,1,0,0,1,0|0,0,1]=3 2920 B12R1.371 COC(=O)Cc1cccnc1O 271570a_203496583355_100010293180 [0,1,0,0,1,0|1,0,1]=4 2921 B12R1.371 COC(=O)Cc1ncccc1O 271570a_203496583355_100012347948 [0,1,0,0,1,0|1,0,1]=4 2922 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,1,0,0,1,0|1,0,0]=3 2923 B14R1.13 CCC(=O)NN=Cc1ccc(cc1)Br 4a_100000183195_100000186029 [0,1,0,0,0,1|2,0,0]=4 2924 B14R1.13 CCC(=O)NN=Cc1ccc(cc1)C 4a_100000183195_100000211033 [0,1,0,0,0,1|2,0,0]=4 2925 B14R1.13 CCC(=O)NN=Cc1ccc(cc1)Cl 4a_100000183195_100000189385 [0,1,0,0,0,1|2,0,0]=4 2926 B14R1.13 CCC(=O)NN=Cc1ccc(cc1)F 4a_100000183195_100000210084 [0,1,0,0,0,1|2,0,0]=4 2927 B14R1.13 CCC(=O)NN=Cc1ccc(cc1)I 4a_100000183195_100000188517 [0,1,0,0,0,1|2,0,0]=4 2928 B14R1.13 CCC(=O)NN=Cc1ccc(cc1)O 4a_100000183195_100000185832 [0,1,0,0,0,1|2,0,0]=4 2929 B14R1.13 COC(=O)C=NNc1ccc(cc1)Br 4a_100000735608_200011823558 [0,1,0,0,0,1|1,0,0]=3 2930 B14R1.13 COC(=O)C=NNc1ccc(cc1)C 4a_100000683527_200011823558 [0,1,0,0,0,1|1,0,0]=3 2931 B14R1.13 COC(=O)C=NNc1ccc(cc1)Cl 4a_100000683521_200011823558 [0,1,0,0,0,1|1,0,0]=3 2932 B14R1.13 COC(=O)C=NNc1ccc(cc1)F 4a_100000728448_200011823558 [0,1,0,0,0,1|1,0,0]=3 2933 B14R1.13 COC(=O)C=NNc1ccc(cc1)I 4a_100016988836_200011823558 [0,1,0,0,0,1|1,0,0]=3 2934 B14R1.13 COC(=O)C=NNc1ccc(cn1)Br 4a_100000750576_200011823558 [0,1,0,0,0,1|2,0,0]=4 2935 B14R1.13 COC(=O)C=NNc1ccc(cn1)C 4a_100000746693_200011823558 [0,1,0,0,0,1|2,0,0]=4 2936 B14R1.13 COC(=O)C=NNc1ccc(cn1)Cl 4a_100011206499_200011823558 [0,1,0,0,0,1|2,0,0]=4 2937 B14R1.13 COC(=O)C=NNc1ccc(cn1)F 4a_100000753838_200011823558 [0,1,0,0,0,1|2,0,0]=4 2938 B14R1.13 COC(=O)C=NNc1ccc(cn1)I 4a_100010221006_200011823558 [0,1,0,0,0,1|2,0,0]=4 2939 B14R1.13 COC(=O)C=NNc1ccc(nc1)Br 4a_100000755011_200011823558 [0,1,0,0,0,1|2,0,0]=4 2940 B14R1.13 COC(=O)C=NNc1ccc(nc1)C 4a_100020639869_200011823558 [0,1,0,0,0,1|2,0,0]=4 2941 B14R1.13 COC(=O)C=NNc1ccc(nc1)Cl 4a_100000119030_200011823558 [0,1,0,0,0,1|2,0,0]=4 2942 B14R1.13 COC(=O)C=NNc1ccc(nc1)F 4a_100000120849_200011823558 [0,1,0,0,0,1|2,0,0]=4 2943 B14R1.13 COC(=O)CCCc1ccc(cc1)O 271570a_203496583355_100010209878 [0,1,0,0,0,1|0,0,2]=4 2944 B14R1.13 COC(=O)CCNc1ccc(cc1)Br 2230a_100000210018_100000204255 [0,1,0,0,0,1|0,0,2]=4 2945 B14R1.13 COC(=O)CCNc1ccc(cc1)Br 34a_100000210018_100000742370 [0,1,0,0,0,1|0,0,2]=4 2946 B14R1.13 COC(=O)CCNc1ccc(cc1)C 34a_100000124888_100000742370 [0,1,0,0,0,1|0,0,2]=4 2947 B14R1.13 COC(=O)CCNc1ccc(cc1)Cl 2230a_100000210052_100000204255 [0,1,0,0,0,1|0,0,2]=4 2948 B14R1.13 COC(=O)CCNc1ccc(cc1)Cl 34a_100000210052_100000742370 [0,1,0,0,0,1|0,0,2]=4 2949 B14R1.13 COC(=O)CCNc1ccc(cc1)F 34a_100000185862_100000742370 [0,1,0,0,0,1|0,0,2]=4 2950 B14R1.13 COC(=O)CCNc1ccc(cc1)I 34a_100000185761_100000742370 [0,1,0,0,0,1|0,0,2]=4 2951 B14R1.13 COC(=O)CCNc1ccc(cc1)O 34a_100000185829_100000742370 [0,1,0,0,0,1|0,0,2]=4 2952 B14R1.13 COC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000742370 [0,1,0,0,0,1|0,0,2]=4 2953 B14R1.13 COC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000204255 [0,1,0,0,0,1|0,0,2]=4 2954 B14R1.13 COC(=O)CCOc1ccc(cc1)C 34a_100000210336_100000742370 [0,1,0,0,0,1|0,0,2]=4 2955 B14R1.13 COC(=O)CCOc1ccc(cc1)C 7a_100000210336_100000204255 [0,1,0,0,0,1|0,0,2]=4 2956 B14R1.13 COC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000742370 [0,1,0,0,0,1|0,0,2]=4 2957 B14R1.13 COC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000204255 [0,1,0,0,0,1|0,0,2]=4 2958 B14R1.13 COC(=O)CCOc1ccc(cc1)F 34a_100000210339_100000742370 [0,1,0,0,0,1|0,0,2]=4 2959 B14R1.13 COC(=O)CCOc1ccc(cc1)I 34a_100000212066_100000742370 [0,1,0,0,0,1|0,0,2]=4 2960 B14R1.13 COC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000204255 [0,1,0,0,0,1|0,0,2]=4 2961 B14R1.13 COC(=O)CCOc1ccc(cc1)N 34a_100000185829_100000742370 [0,1,0,0,0,1|0,0,2]=4 2962 B14R1.13 COC(=O)CCSc1ccc(cc1)Br 62a_100000204255_100000752885 [0,1,0,0,0,1|0,0,2]=4 2963 B14R1.13 COC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000204255 [0,1,0,0,0,1|0,0,2]=4 2964 B14R1.13 COC(=O)CCSc1ccc(cc1)C 62a_100000186775_100000204255 [0,1,0,0,0,1|0,0,2]=4 2965 B14R1.13 COC(=O)CCSc1ccc(cc1)C 62a_100000204255_100000186775 [0,1,0,0,0,1|0,0,2]=4 2966 B14R1.13 COC(=O)CCSc1ccc(cc1)Cl 62a_100000204255_100000755918 [0,1,0,0,0,1|0,0,2]=4 2967 B14R1.13 COC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000204255 [0,1,0,0,0,1|0,0,2]=4 2968 B14R1.13 COC(=O)CCSc1ccc(cc1)F 62a_100000204255_100000211213 [0,1,0,0,0,1|0,0,2]=4 2969 B14R1.13 COC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000204255 [0,1,0,0,0,1|0,0,2]=4 2970 B14R1.13 COC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000204255 [0,1,0,0,0,1|0,0,2]=4 2971 B14R1.13 COC(=O)CCSc1ccc(cc1)N 62a_100000204255_100000185761 [0,1,0,0,0,1|0,0,2]=4 2972 B14R1.13 COC(=O)CCSc1ccc(cc1)O 62a_100000204255_100000185759 [0,1,0,0,0,1|0,0,2]=4 2973 B14R1.13 COC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000747449 [0,1,0,0,0,1|0,0,2]=4 2974 B14R1.13 COC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000747449 [0,1,0,0,0,1|0,0,2]=4 2975 B14R1.13 COC(=O)CNCc1ccc(cc1)C 2230a_100000174908_100000747449 [0,1,0,0,0,1|0,0,2]=4 2976 B14R1.13 COC(=O)CNCc1ccc(cc1)C 34a_100000174908_100000747449 [0,1,0,0,0,1|0,0,2]=4 2977 B14R1.13 COC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000747449 [0,1,0,0,0,1|0,0,2]=4 2978 B14R1.13 COC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000747449 [0,1,0,0,0,1|0,0,2]=4 2979 B14R1.13 COC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000747449 [0,1,0,0,0,1|0,0,2]=4 2980 B14R1.13 COC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000747449 [0,1,0,0,0,1|0,0,2]=4 2981 B14R1.13 COC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000747449 [0,1,0,0,0,1|0,0,2]=4 2982 B14R1.13 COC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000747449 [0,1,0,0,0,1|0,0,2]=4 2983 B14R1.13 COC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000747449 [0,1,0,0,0,1|0,0,2]=4 2984 B14R1.13 COC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000747449 [0,1,0,0,0,1|0,0,2]=4 2985 B14R1.13 COC(=O)COCc1ccc(cc1)C 34a_100011215236_100000747449 [0,1,0,0,0,1|0,0,2]=4 2986 B14R1.13 COC(=O)COCc1ccc(cc1)C 7a_100011215236_100000747449 [0,1,0,0,0,1|0,0,2]=4 2987 B14R1.13 COC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000747449 [0,1,0,0,0,1|0,0,2]=4 2988 B14R1.13 COC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000747449 [0,1,0,0,0,1|0,0,2]=4 2989 B14R1.13 COC(=O)COCc1ccc(cc1)F 34a_100000210977_100000747449 [0,1,0,0,0,1|0,0,2]=4 2990 B14R1.13 COC(=O)COCc1ccc(cc1)F 7a_100000210977_100000747449 [0,1,0,0,0,1|0,0,2]=4 2991 B14R1.13 COC(=O)COCc1ccc(cc1)I 34a_100000690907_100000747449 [0,1,0,0,0,1|0,0,2]=4 2992 B14R1.13 COC(=O)COCc1ccc(cc1)I 7a_100000690907_100000747449 [0,1,0,0,0,1|0,0,2]=4 2993 B14R1.13 COC(=O)COCc1ccc(cc1)N 34a_100011215238_100000747449 [0,1,0,0,0,1|0,0,2]=4 2994 B14R1.13 COC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000747449 [0,1,0,0,0,1|0,0,2]=4 2995 B14R1.13 COC(=O)CSCc1ccc(cc1)Br 62a_100000747449_100000189115 [0,1,0,0,0,1|0,0,2]=4 2996 B14R1.13 COC(=O)CSCc1ccc(cc1)C 62a_100000210814_100000747449 [0,1,0,0,0,1|0,0,2]=4 2997 B14R1.13 COC(=O)CSCc1ccc(cc1)C 62a_100000747449_100000210814 [0,1,0,0,0,1|0,0,2]=4 2998 B14R1.13 COC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000747449 [0,1,0,0,0,1|0,0,2]=4 2999 B14R1.13 COC(=O)CSCc1ccc(cc1)Cl 62a_100000747449_100000187161 [0,1,0,0,0,1|0,0,2]=4 3000 B14R1.13 COC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000747449 [0,1,0,0,0,1|0,0,2]=4 3001 B14R1.13 COC(=O)CSCc1ccc(cc1)F 62a_100000747449_100000187164 [0,1,0,0,0,1|0,0,2]=4 3002 B14R1.13 COC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000747449 [0,1,0,0,0,1|0,0,2]=4 3003 B14R1.13 COC(=O)CSCc1ccc(cc1)I 62a_100000747449_100000189116 [0,1,0,0,0,1|0,0,2]=4 3004 B14R1.13 COC(=O)OCSc1ccc(cc1)Br 62a_100000752885_100000139417 [0,1,0,0,0,1|1,0,1]=4 3005 B14R1.13 COC(=O)OCSc1ccc(cc1)C 62a_100000186775_100000139417 [0,1,0,0,0,1|1,0,1]=4 3006 B14R1.13 COC(=O)OCSc1ccc(cc1)Cl 62a_100000755918_100000139417 [0,1,0,0,0,1|1,0,1]=4 3007 B14R1.13 COC(=O)OCSc1ccc(cc1)F 62a_100000211213_100000139417 [0,1,0,0,0,1|1,0,1]=4 3008 B14R1.13 COC(=O)OCSc1ccc(cc1)N 62a_100000185761_100000139417 [0,1,0,0,0,1|1,0,1]=4 3009 B14R1.163 CCC(=O)CCC(=O)c1ccccc1 1458a_100000210414_100000750707 [0,1,0,0,0,1|1,0,1]=4 3010 B14R1.163 CCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210202 [0,1,0,0,0,1|1,0,1]=4 3011 B14R1.163 CCC(=O)COC(=O)c1ccccc1 1458a_100000210414_100000073877 [0,1,0,0,0,1|1,0,1]=4 3012 B14R1.163 CCC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000210202 [0,1,0,0,0,1|1,0,1]=4 3013 B14R1.163 CCC(=O)NN=C(C)c1ccccc1 4a_100000183195_100000185851 [0,1,0,0,0,1|2,0,0]=4 3014 B14R1.163 CCC(=O)NNC(=O)c1ccccc1 22a_100000183195_100000185807 [0,1,0,0,0,1|2,0,0]=4 3015 B14R1.163 CCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000210414 [0,1,0,0,0,1|2,0,0]=4 3016 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 11a_100000693194_100000185807 [0,1,0,0,0,1|1,0,1]=4 3017 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 11a_106832991635_100000182045 [0,1,0,0,0,1|1,0,1]=4 3018 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 1626a_100102657272_100000182045 [0,1,0,0,0,1|1,0,1]=4 3019 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 240690a_100000693194_100000185807 [0,1,0,0,0,1|1,0,1]=4 3020 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 240690a_100102657272_100000182045 [0,1,0,0,0,1|1,0,1]=4 3021 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 527a_100000693194_100000185807 [0,1,0,0,0,1|1,0,1]=4 3022 B14R1.163 CNC(=O)CNC(=O)c1ccccc1 527a_100102657272_100000182045 [0,1,0,0,0,1|1,0,1]=4 3023 B14R1.163 CNC(=O)CSC(=S)c1ccccc1 1626a_100102657272_100000043459 [0,1,0,0,0,1|1,0,1]=4 3024 B14R1.163 CNC(=O)CSC(=S)c1ccccc1 240690a_100102657272_100000043459 [0,1,0,0,0,1|1,0,1]=4 3025 B14R1.163 CNC(=O)CSC(=S)c1ccccc1 527a_100102657272_100000043459 [0,1,0,0,0,1|1,0,1]=4 3026 B14R1.163 CNC(=O)NNC(=O)c1ccccc1 273464a_100102657272_100000184135 [0,1,0,0,0,1|2,0,0]=4 3027 B14R1.163 CNC(=O)NNC(=O)c1ccccc1 512a_100000184135_100102657272 [0,1,0,0,0,1|2,0,0]=4 3028 B14R1.163 COC(=O)CCN(C)c1ccccc1 2230a_100000210012_100000204255 [0,1,0,0,0,1|0,0,2]=4 3029 B14R1.163 COC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000204255 [0,1,0,0,0,1|0,0,2]=4 3030 B14R1.163 COC(=O)CCN(C)c1ccccc1 269982a_100011203847_200000210301 [0,1,0,0,0,1|0,0,2]=4 3031 B14R1.163 COC(=O)CCN(C)c1ccccc1 34a_100000210012_100000742370 [0,1,0,0,0,1|0,0,2]=4 3032 B14R1.163 COC(=O)CCN(C)c1ccccc1 34a_100011203847_200000210301 [0,1,0,0,0,1|0,0,2]=4 3033 B14R1.163 COC(=O)CCN([13CH3])c1ccccc1 269982a_100011203847_200025704644 [0,1,0,0,0,1|0,0,2]=4 3034 B14R1.163 COC(=O)CCN([13CH3])c1ccccc1 34a_100011203847_200025704644 [0,1,0,0,0,1|0,0,2]=4 3035 B14R1.163 COC(=O)CNC(=O)c1ccccc1 188690a_100000185156_100000185807 [0,1,0,0,0,1|0,0,1]=3 3036 B14R1.163 COC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000747449 [0,1,0,0,0,1|0,0,2]=4 3037 B14R1.163 COC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000747449 [0,1,0,0,0,1|0,0,2]=4 3038 B14R1.163 COC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000747449 [0,1,0,0,0,1|0,0,2]=4 3039 B14R1.163 COC(=O)CSC(C)c1ccccc1 62a_100000230085_100000747449 [0,1,0,0,0,1|0,0,2]=4 3040 B14R1.163 COC(=O)CSC(C)c1ccccc1 62a_100000747449_100000230085 [0,1,0,0,0,1|0,0,2]=4 3041 B14R1.520 C#CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000184674 [0,1,0,0,0,1|1,0,1]=4 3042 B14R1.520 C#CCC(=O)C/C=C/c1ccccc1 1458a_100011220946_100016265936 [0,1,0,0,0,1|1,0,1]=4 3043 B14R1.520 C#CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000184674 [0,1,0,0,0,1|1,0,1]=4 3044 B14R1.520 C=CCC(=O)C/C=C/c1ccccc1 1458a_100000210193_100016265936 [0,1,0,0,0,1|1,0,1]=4 3045 B14R1.520 C=CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210623 [0,1,0,0,0,1|1,0,1]=4 3046 B14R1.520 C=CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210623 [0,1,0,0,0,1|1,0,1]=4 3047 B14R1.520 CC#CC(=O)C/C=C/c1ccccc1 1458a_100000763181_100016265936 [0,1,0,0,0,1|1,0,0]=3 3048 B14R1.520 CC=CC(=O)C/C=C/c1ccccc1 1458a_100000210699_100016265936 [0,1,0,0,0,1|1,0,0]=3 3049 B14R1.520 CCCC(=O)C/C=C/c1ccccc1 1458a_100000211992_100016265936 [0,1,0,0,0,1|1,0,0]=3 3050 B14R1.520 CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210303 [0,1,0,0,0,1|1,0,0]=3 3051 B14R1.520 CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210303 [0,1,0,0,0,1|1,0,0]=3 3052 B14R1.520 CCCC(=O)NN=Cc1ccccc1 4a_100000189770_100015611070 [0,1,0,0,0,1|2,0,0]=4 3053 B14R1.520 CCNC(=O)C/C=C/c1ccccc1 11a_100015525214_100011219626 [0,1,0,0,0,1|1,0,0]=3 3054 B14R1.520 CCNC(=O)C/C=C/c1ccccc1 240690a_100015525214_100011219626 [0,1,0,0,0,1|1,0,0]=3 3055 B14R1.520 CCNC(=O)C=CSc1ccccc1 11a_100015525214_100016262050 [0,1,0,0,0,1|1,0,0]=3 3056 B14R1.520 CCNC(=O)C=CSc1ccccc1 240690a_100015525214_100016262050 [0,1,0,0,0,1|1,0,0]=3 3057 B14R1.520 CCOC(=O)C=NNc1ccccc1 4a_100015195140_100000742314 [0,1,0,0,0,1|1,0,0]=3 3058 B14R1.520 CCOC(=O)C=NNc1ccccn1 4a_100000183288_100000742314 [0,1,0,0,0,1|2,0,0]=4 3059 B14R1.520 CCOC(=O)C=NNc1cccnc1 4a_100000728903_100000742314 [0,1,0,0,0,1|2,0,0]=4 3060 B14R1.520 CCOC(=O)C=NNc1ccncc1 4a_100000698918_100000742314 [0,1,0,0,0,1|2,0,0]=4 3061 B14R1.520 CCOC(=O)CCNc1ccccc1 34a_100000106764_100000765890 [0,1,0,0,0,1|0,0,2]=4 3062 B14R1.520 CCOC(=O)CCOc1ccccc1 34a_100000210340_100000765890 [0,1,0,0,0,1|0,0,2]=4 3063 B14R1.520 CCOC(=O)CCOc1ccccc1 7a_100000210340_100011206558 [0,1,0,0,0,1|0,0,2]=4 3064 B14R1.520 CCOC(=O)CCSc1ccccc1 62a_100000719477_100000765890 [0,1,0,0,0,1|0,0,2]=4 3065 B14R1.520 CCOC(=O)CCSc1ccccc1 62a_100000765890_100000041952 [0,1,0,0,0,1|0,0,2]=4 3066 B14R1.520 CCOC(=O)CNCc1ccccc1 2230a_100015324214_100000188475 [0,1,0,0,0,1|0,0,2]=4 3067 B14R1.520 CCOC(=O)CNCc1ccccc1 34a_100015324214_100000188475 [0,1,0,0,0,1|0,0,2]=4 3068 B14R1.520 CCOC(=O)COCc1ccccc1 34a_100000210790_100000188475 [0,1,0,0,0,1|0,0,2]=4 3069 B14R1.520 CCOC(=O)COCc1ccccc1 7a_100000210790_100000188475 [0,1,0,0,0,1|0,0,2]=4 3070 B14R1.520 CCOC(=O)CSCc1ccccc1 62a_100000188475_100015291786 [0,1,0,0,0,1|0,0,2]=4 3071 B14R1.520 CCOC(=O)CSCc1ccccc1 62a_100000211182_100000188475 [0,1,0,0,0,1|0,0,2]=4 3072 B14R1.520 CCOC(=O)OCSc1ccccc1 62a_100000719477_100000075025 [0,1,0,0,0,1|1,0,1]=4 3073 B14R1.520 CNNC(=O)C/C=C/c1ccccc1 22a_100016993582_100011219626 [0,1,0,0,0,1|1,0,0]=3 3074 B14R1.520 CNNC(=O)C=CSc1ccccc1 22a_100016993582_100016262050 [0,1,0,0,0,1|1,0,0]=3 3075 B14R1.520 COCC(=O)C/C=C/c1ccccc1 1458a_100000210968_100016265936 [0,1,0,0,0,1|0,0,0]=2 3076 B14R1.520 COCC(=O)CC#Cc1ccccc1 1458a_100000210968_100011352542 [0,1,0,0,0,1|0,0,2]=4 3077 B14R1.520 COCC(=O)CCCc1ccccc1 1458a_100000210968_100000211621 [0,1,0,0,0,1|0,0,2]=4 3078 B14R1.520 COCC(=O)CCOc1ccccc1 1458a_100000210968_100000184471 [0,1,0,0,0,1|0,0,2]=4 3079 B14R1.520 COCC(=O)CCSc1ccccc1 1458a_100000210968_100000246102 [0,1,0,0,0,1|0,0,2]=4 3080 B14R1.520 COCC(=O)CSCc1ccccc1 1458a_100000210968_200011217039 [0,1,0,0,0,1|0,0,2]=4 3081 B14R1.520 COCC(=O)NCCc1ccccc1 11a_100000106460_100000210968 [0,1,0,0,0,1|0,0,2]=4 3082 B14R1.520 COCC(=O)NCCc1ccccc1 1626a_100000106460_100000210968 [0,1,0,0,0,1|0,0,2]=4 3083 B14R1.520 COCC(=O)NCCc1ccccc1 240690a_100000106460_100000210968 [0,1,0,0,0,1|0,0,2]=4 3084 B14R1.520 COCC(=O)NCCc1ccccc1 34a_100138415774_100000183012 [0,1,0,0,0,1|0,0,2]=4 3085 B14R1.520 COCC(=O)NCCc1ccccc1 527a_100000106460_100000210968 [0,1,0,0,0,1|0,0,2]=4 3086 B14R1.520 COCC(=O)NN=Cc1ccccc1 4a_100000216845_100015611070 [0,1,0,0,0,1|1,0,0]=3 3087 B14R1.520 COCC(=O)NN=Cc1ccccn1 4a_100000216845_100000209966 [0,1,0,0,0,1|2,0,0]=4 3088 B14R1.520 COCC(=O)NN=Cc1cccnc1 4a_100000216845_100000209961 [0,1,0,0,0,1|2,0,0]=4 3089 B14R1.520 COCC(=O)NN=Cc1ccncc1 4a_100000216845_100000186114 [0,1,0,0,0,1|2,0,0]=4 3090 B14R1.520 COCC(=O)NNCc1ccccc1 22a_100000007032_100000210968 [0,1,0,0,0,1|1,0,1]=4 3091 B14R1.520 COCC(=O)NOCc1ccccc1 34a_100138415774_100000230105 [0,1,0,0,0,1|1,0,1]=4 3092 B14R1.520 COCC(=O)OCCc1ccccc1 34a_100138415774_200000077782 [0,1,0,0,0,1|0,0,2]=4 3093 B14R1.520 CSCC(=O)C/C=C/c1ccccc1 1458a_100000184570_100016265936 [0,1,0,0,0,1|0,1,0]=3 3094 B14R1.520 N#CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011214920 [0,1,0,0,0,1|1,0,1]=4 3095 B14R1.520 N#CCC(=O)C/C=C/c1ccccc1 1458a_100051588842_100016265936 [0,1,0,0,0,1|1,0,1]=4 3096 B14R1.520 N#CCC(=O)C=CSc1ccccc1 1458a_100016262050_100011214920 [0,1,0,0,0,1|1,0,1]=4 3097 B14R1.520 O=C(C/C=C/c1ccccc1)CCF 1458a_100011219626_100011217306 [0,1,0,0,0,1|1,0,0]=3 3098 B14R1.520 O=C(C/C=C/c1ccccc1)CCO 1458a_100011216618_100016265936 [0,1,0,0,0,1|1,0,0]=3 3099 B14R1.520 O=C(C/C=C/c1ccccc1)CCO 1458a_100011219626_100000211926 [0,1,0,0,0,1|1,0,0]=3 3100 B14R1.520 O=C(C=CBr)C/C=C/c1ccccc1 1458a_100016273825_100016265936 [0,1,0,0,0,1|1,0,1]=4 3101 B14R1.520 O=C(C=CCl)C/C=C/c1ccccc1 1458a_200016279998_100016265936 [0,1,0,0,0,1|1,0,1]=4 3102 B14R1.520 O=C(C=CI)C/C=C/c1ccccc1 1458a_100016256311_100016265936 [0,1,0,0,0,1|1,0,1]=4 3103 B14R1.520 O=C(C=CSc1ccccc1)CCF 1458a_100016262050_100011217306 [0,1,0,0,0,1|1,0,0]=3 3104 B14R1.520 O=C(C=CSc1ccccc1)CCO 1458a_100016262050_100000211926 [0,1,0,0,0,1|1,0,0]=3 3105 B14R1.743 CCC(=CC(=O)Cc1ccccc1)C 1458a_100020758463_100015291786 [0,1,0,0,0,1|2,0,0]=4 3106 B14R1.743 CCC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100020758463 [0,1,0,0,0,1|2,0,0]=4 3107 B14R1.743 CCC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100020758463 [0,1,0,0,0,1|2,0,0]=4 3108 B14R1.743 CCC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100020758463 [0,1,0,0,0,1|2,0,0]=4 3109 B14R1.743 CCC(=O)CC(=O)Cc1ccccc1 1458a_100000210414_100000233483 [0,1,0,0,0,1|1,0,1]=4 3110 B14R1.743 CCC(=O)CC(=O)Nc1ccccc1 1458a_100000210414_100000182850 [0,1,0,0,0,1|1,0,1]=4 3111 B14R1.743 CCC(=O)CC(=O)Oc1ccccc1 1458a_100000210414_100009813826 [0,1,0,0,0,1|1,0,1]=4 3112 B14R1.743 CNC(=O)CC(=O)Oc1ccccc1 240690a_100102657272_200000075362 [0,1,0,0,0,1|1,0,1]=4 3113 B14R1.743 COC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000747449 [0,1,0,0,0,1|1,0,1]=4 3114 B14R1.743 COC(=O)CC(=O)Cc1ccccc1 1458a_100000211351_100015291786 [0,1,0,0,0,1|0,0,1]=3 3115 B14R1.743 COC(=O)CC(=O)Cc1ccccn1 1458a_100000211351_100000721315 [0,1,0,0,0,1|1,0,1]=4 3116 B14R1.743 COC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000747449 [0,1,0,0,0,1|1,0,1]=4 3117 B14R1.743 COC(=O)CC(=O)Cc1cccnc1 1458a_100000211351_100000733263 [0,1,0,0,0,1|1,0,1]=4 3118 B14R1.743 COC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000747449 [0,1,0,0,0,1|1,0,1]=4 3119 B14R1.743 COC(=O)CC(=O)Cc1ccncc1 1458a_100000211351_100000705612 [0,1,0,0,0,1|1,0,1]=4 3120 B14R1.743 COC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100000211351 [0,1,0,0,0,1|0,0,1]=3 3121 B14R1.743 COC(=O)CC(C)Nc1ccccc1 34a_100000106764_100009817358 [0,1,0,0,0,1|0,0,2]=4 3122 B14R1.743 COC(=O)CC(C)Oc1ccccc1 34a_100000210340_100009817358 [0,1,0,0,0,1|0,0,2]=4 3123 B14R1.743 COC(=O)CC(C)Oc1ccccc1 7a_100000210340_100009817358 [0,1,0,0,0,1|0,0,2]=4 3124 B14R1.743 COC(=O)CC(C)Sc1ccccc1 62a_100000719477_100009817358 [0,1,0,0,0,1|0,0,2]=4 3125 B14R1.743 COC(=O)CC(C)Sc1ccccc1 62a_100009817358_100000041952 [0,1,0,0,0,1|0,0,2]=4 3126 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000747449 [0,1,0,0,0,1|0,0,2]=4 3127 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000198492_100015291786 [0,1,0,0,0,1|0,0,2]=4 3128 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000219879_200000210301 [0,1,0,0,0,1|0,0,2]=4 3129 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000747449 [0,1,0,0,0,1|0,0,2]=4 3130 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000219879_200000210301 [0,1,0,0,0,1|0,0,2]=4 3131 B14R1.743 COC(=O)CN(C)Cc1ccccc1 270004a_100000198492_100015611070 [0,1,0,0,0,1|0,0,2]=4 3132 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 2230a_100000219879_200025704644 [0,1,0,0,0,1|0,0,2]=4 3133 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 269982a_100000219879_200025704644 [0,1,0,0,0,1|0,0,2]=4 3134 B14R1.756 C=C(CNc1ccccc1)C(=O)OC 34a_100000106764_100009813391 [0,1,0,0,0,1|0,0,1]=3 3135 B14R1.756 C=C(COc1ccccc1)C(=O)OC 34a_100000210340_100009813391 [0,1,0,0,0,1|0,0,1]=3 3136 B14R1.756 C=C(COc1cccnc1)C(=O)OC 34a_100000210849_100009813391 [0,1,0,0,0,1|1,0,1]=4 3137 B14R1.756 C=C(COc1ccncc1)C(=O)OC 34a_100000212176_100009813391 [0,1,0,0,0,1|1,0,1]=4 3138 B14R1.756 C=C(CSc1ccccc1)C(=O)OC 62a_100000719477_100009813391 [0,1,0,0,0,1|0,0,1]=3 3139 B14R1.756 C=C(CSc1ccccc1)C(=O)OC 62a_100009813391_100000041952 [0,1,0,0,0,1|0,0,1]=3 3140 B14R1.756 C=C(CSc1ccccn1)C(=O)OC 62a_100009813391_100011216584 [0,1,0,0,0,1|1,0,1]=4 3141 B14R1.756 C=C(CSc1ccccn1)C(=O)OC 62a_100011216584_100009813391 [0,1,0,0,0,1|1,0,1]=4 3142 B14R1.756 C=C(CSc1cccnc1)C(=O)OC 62a_100000210063_100009813391 [0,1,0,0,0,1|1,0,1]=4 3143 B14R1.756 C=C(CSc1cccnc1)C(=O)OC 62a_100009813391_100000210063 [0,1,0,0,0,1|1,0,1]=4 3144 B14R1.756 C=C(CSc1ccncc1)C(=O)OC 62a_100000728582_100009813391 [0,1,0,0,0,1|1,0,1]=4 3145 B14R1.756 C=C(CSc1ccncc1)C(=O)OC 62a_100009813391_100000728582 [0,1,0,0,0,1|1,0,1]=4 3146 B14R1.756 CNC(=O)C(=O)CCc1ccccc1 1458a_100011218921_100000765856 [0,1,0,0,0,1|1,0,1]=4 3147 B14R1.756 CNC(=O)C(=O)NCc1ccccc1 1626a_100015324214_100011218921 [0,1,0,0,0,1|1,0,1]=4 3148 B14R1.756 CNC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100011218921 [0,1,0,0,0,1|1,0,1]=4 3149 B14R1.756 CNC(=O)C(=O)NCc1ccccc1 527a_100015324214_100011218921 [0,1,0,0,0,1|1,0,1]=4 3150 B14R1.756 CNC(=O)C(=O)NNc1ccccc1 22a_100015195140_100011218921 [0,1,0,0,0,1|2,0,0]=4 3151 B14R1.756 COC(=O)C(=NNc1ccccc1)C 4a_100015195140_100000211753 [0,1,0,0,0,1|1,0,0]=3 3152 B14R1.756 COC(=O)C(=NNc1ccccn1)C 4a_100000183288_100000211753 [0,1,0,0,0,1|2,0,0]=4 3153 B14R1.756 COC(=O)C(=NNc1cccnc1)C 4a_100000728903_100000211753 [0,1,0,0,0,1|2,0,0]=4 3154 B14R1.756 COC(=O)C(=NNc1ccncc1)C 4a_100000698918_100000211753 [0,1,0,0,0,1|2,0,0]=4 3155 B14R1.756 COC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011610305 [0,1,0,0,0,1|0,0,1]=3 3156 B14R1.756 COC(=O)C(=O)COc1ccccc1 34a_100000210340_100011610305 [0,1,0,0,0,1|0,0,1]=3 3157 B14R1.756 COC(=O)C(=O)COc1cccnc1 34a_100000210849_100011610305 [0,1,0,0,0,1|1,0,1]=4 3158 B14R1.756 COC(=O)C(=O)COc1ccncc1 34a_100000212176_100011610305 [0,1,0,0,0,1|1,0,1]=4 3159 B14R1.756 COC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011610305 [0,1,0,0,0,1|0,0,1]=3 3160 B14R1.756 COC(=O)C(=O)CSc1ccccc1 62a_100011610305_100000041952 [0,1,0,0,0,1|0,0,1]=3 3161 B14R1.756 COC(=O)C(=O)CSc1ccccn1 62a_100011216584_100011610305 [0,1,0,0,0,1|1,0,1]=4 3162 B14R1.756 COC(=O)C(=O)CSc1ccccn1 62a_100011610305_100011216584 [0,1,0,0,0,1|1,0,1]=4 3163 B14R1.756 COC(=O)C(=O)CSc1cccnc1 62a_100000210063_100011610305 [0,1,0,0,0,1|1,0,1]=4 3164 B14R1.756 COC(=O)C(=O)CSc1cccnc1 62a_100011610305_100000210063 [0,1,0,0,0,1|1,0,1]=4 3165 B14R1.756 COC(=O)C(=O)CSc1ccncc1 62a_100000728582_100011610305 [0,1,0,0,0,1|1,0,1]=4 3166 B14R1.756 COC(=O)C(=O)CSc1ccncc1 62a_100011610305_100000728582 [0,1,0,0,0,1|1,0,1]=4 3167 B14R1.756 COC(=O)C(=O)NCc1ccccc1 11a_100015324214_100000024059 [0,1,0,0,0,1|0,0,1]=3 3168 B14R1.756 COC(=O)C(=O)NCc1ccccc1 1626a_100015324214_100000024059 [0,1,0,0,0,1|0,0,1]=3 3169 B14R1.756 COC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100000024059 [0,1,0,0,0,1|0,0,1]=3 3170 B14R1.756 COC(=O)C(=O)NCc1ccccc1 527a_100015324214_100000024059 [0,1,0,0,0,1|0,0,1]=3 3171 B14R1.756 COC(=O)C(=O)NCc1ccccn1 11a_100000210449_100000024059 [0,1,0,0,0,1|1,0,1]=4 3172 B14R1.756 COC(=O)C(=O)NCc1ccccn1 1626a_100000210449_100000024059 [0,1,0,0,0,1|1,0,1]=4 3173 B14R1.756 COC(=O)C(=O)NCc1ccccn1 240690a_100000210449_100000024059 [0,1,0,0,0,1|1,0,1]=4 3174 B14R1.756 COC(=O)C(=O)NCc1ccccn1 527a_100000210449_100000024059 [0,1,0,0,0,1|1,0,1]=4 3175 B14R1.756 COC(=O)C(=O)NCc1cccnc1 11a_100000210453_100000024059 [0,1,0,0,0,1|1,0,1]=4 3176 B14R1.756 COC(=O)C(=O)NCc1cccnc1 240690a_100000210453_100000024059 [0,1,0,0,0,1|1,0,1]=4 3177 B14R1.756 COC(=O)C(=O)NCc1cccnc1 527a_100000210453_100000024059 [0,1,0,0,0,1|1,0,1]=4 3178 B14R1.756 COC(=O)C(=O)NCc1ccncc1 11a_100000210450_100000024059 [0,1,0,0,0,1|1,0,1]=4 3179 B14R1.756 COC(=O)C(=O)NCc1ccncc1 1626a_100000210450_100000024059 [0,1,0,0,0,1|1,0,1]=4 3180 B14R1.756 COC(=O)C(=O)NCc1ccncc1 240690a_100000210450_100000024059 [0,1,0,0,0,1|1,0,1]=4 3181 B14R1.756 COC(=O)C(=O)NCc1ccncc1 527a_100000210450_100000024059 [0,1,0,0,0,1|1,0,1]=4 3182 B14R1.756 COC(=O)C(C)CNc1ccccc1 34a_100000106764_100000698445 [0,1,0,0,0,1|0,0,2]=4 3183 B14R1.756 COC(=O)C(C)COc1ccccc1 34a_100000210340_100000698445 [0,1,0,0,0,1|0,0,2]=4 3184 B14R1.756 COC(=O)C(C)CSc1ccccc1 62a_100000698445_100000041952 [0,1,0,0,0,1|0,0,2]=4 3185 B14R1.756 COC(=O)C(C)CSc1ccccc1 62a_100000719477_100000698445 [0,1,0,0,0,1|0,0,2]=4 3186 B14R1.756 COC(=O)C(C)NCc1ccccc1 2230a_100015324214_100000211248 [0,1,0,0,0,1|0,0,2]=4 3187 B14R1.756 COC(=O)C(C)NCc1ccccc1 34a_100015324214_100000211248 [0,1,0,0,0,1|0,0,2]=4 3188 B14R1.756 COC(=O)C(C)OCc1ccccc1 34a_100000210790_100000211248 [0,1,0,0,0,1|0,0,2]=4 3189 B14R1.756 COC(=O)C(C)OCc1ccccc1 34a_100011215400_100015291786 [0,1,0,0,0,1|0,0,2]=4 3190 B14R1.756 COC(=O)C(C)OCc1ccccc1 7a_100000210790_100000211248 [0,1,0,0,0,1|0,0,2]=4 3191 B14R1.756 COC(=O)C(C)SCc1ccccc1 62a_100000211182_100000211248 [0,1,0,0,0,1|0,0,2]=4 3192 B14R1.756 COC(=O)C(C)SCc1ccccc1 62a_100000211248_100015291786 [0,1,0,0,0,1|0,0,2]=4 3193 B14R1.837 CCC(=O)NN=Cc1ccccc1Br 4a_100000183195_100000211189 [0,1,0,0,0,1|2,0,0]=4 3194 B14R1.837 CCC(=O)NN=Cc1ccccc1C 4a_100000183195_100000211143 [0,1,0,0,0,1|2,0,0]=4 3195 B14R1.837 CCC(=O)NN=Cc1ccccc1Cl 4a_100000183195_100000210073 [0,1,0,0,0,1|2,0,0]=4 3196 B14R1.837 CCC(=O)NN=Cc1ccccc1F 4a_100000183195_100000210811 [0,1,0,0,0,1|2,0,0]=4 3197 B14R1.837 CCC(=O)NN=Cc1ccccc1I 4a_100000183195_100000010305 [0,1,0,0,0,1|2,0,0]=4 3198 B14R1.837 CCC(=O)NN=Cc1ccccc1O 4a_100000183195_100000185834 [0,1,0,0,0,1|2,0,0]=4 3199 B14R1.837 COC(=O)C=NNc1ccccc1Br 4a_100000241748_200011823558 [0,1,0,0,0,1|1,0,0]=3 3200 B14R1.837 COC(=O)C=NNc1ccccc1C 4a_100000184220_200011823558 [0,1,0,0,0,1|1,0,0]=3 3201 B14R1.837 COC(=O)C=NNc1ccccc1Cl 4a_100000683529_200011823558 [0,1,0,0,0,1|1,0,0]=3 3202 B14R1.837 COC(=O)C=NNc1ccccc1F 4a_100000239246_200011823558 [0,1,0,0,0,1|1,0,0]=3 3203 B14R1.837 COC(=O)C=NNc1ccccc1I 4a_100011218156_200011823558 [0,1,0,0,0,1|1,0,0]=3 3204 B14R1.837 COC(=O)C=NNc1cccnc1C 4a_100000730703_200011823558 [0,1,0,0,0,1|2,0,0]=4 3205 B14R1.837 COC(=O)C=NNc1ccncc1Br 4a_100013404636_200011823558 [0,1,0,0,0,1|2,0,0]=4 3206 B14R1.837 COC(=O)C=NNc1ccncc1C 4a_100011935204_200011823558 [0,1,0,0,0,1|2,0,0]=4 3207 B14R1.837 COC(=O)C=NNc1ncccc1Br 4a_100011464834_200011823558 [0,1,0,0,0,1|2,0,0]=4 3208 B14R1.837 COC(=O)C=NNc1ncccc1C 4a_100000708268_200011823558 [0,1,0,0,0,1|2,0,0]=4 3209 B14R1.837 COC(=O)C=NNc1ncccc1Cl 4a_100000741667_200011823558 [0,1,0,0,0,1|2,0,0]=4 3210 B14R1.837 COC(=O)C=NNc1ncccc1F 4a_100000717775_200011823558 [0,1,0,0,0,1|2,0,0]=4 3211 B14R1.837 COC(=O)C=NNc1ncccc1I 4a_100010221029_200011823558 [0,1,0,0,0,1|2,0,0]=4 3212 B14R1.837 COC(=O)CCNc1ccccc1Br 34a_100000210017_100000742370 [0,1,0,0,0,1|0,0,2]=4 3213 B14R1.837 COC(=O)CCNc1ccccc1C 34a_100015192222_100000742370 [0,1,0,0,0,1|0,0,2]=4 3214 B14R1.837 COC(=O)CCNc1ccccc1Cl 34a_100000185783_100000742370 [0,1,0,0,0,1|0,0,2]=4 3215 B14R1.837 COC(=O)CCNc1ccccc1F 34a_100000210422_100000742370 [0,1,0,0,0,1|0,0,2]=4 3216 B14R1.837 COC(=O)CCNc1ccccc1I 34a_100000210053_100000742370 [0,1,0,0,0,1|0,0,2]=4 3217 B14R1.837 COC(=O)CCNc1ccccc1O 34a_100000185747_100000742370 [0,1,0,0,0,1|0,0,2]=4 3218 B14R1.837 COC(=O)CCOc1ccccc1Br 34a_100000181306_100000742370 [0,1,0,0,0,1|0,0,2]=4 3219 B14R1.837 COC(=O)CCOc1ccccc1Br 7a_100000181306_100000204255 [0,1,0,0,0,1|0,0,2]=4 3220 B14R1.837 COC(=O)CCOc1ccccc1C 34a_100000210338_100000742370 [0,1,0,0,0,1|0,0,2]=4 3221 B14R1.837 COC(=O)CCOc1ccccc1C 7a_100000210338_100000204255 [0,1,0,0,0,1|0,0,2]=4 3222 B14R1.837 COC(=O)CCOc1ccccc1Cl 34a_100000210172_100000742370 [0,1,0,0,0,1|0,0,2]=4 3223 B14R1.837 COC(=O)CCOc1ccccc1Cl 7a_100000210172_100000204255 [0,1,0,0,0,1|0,0,2]=4 3224 B14R1.837 COC(=O)CCOc1ccccc1F 34a_100000210171_100000742370 [0,1,0,0,0,1|0,0,2]=4 3225 B14R1.837 COC(=O)CCOc1ccccc1F 7a_100000210171_100000204255 [0,1,0,0,0,1|0,0,2]=4 3226 B14R1.837 COC(=O)CCOc1ccccc1I 34a_100000739446_100000742370 [0,1,0,0,0,1|0,0,2]=4 3227 B14R1.837 COC(=O)CCOc1ccccc1I 7a_100000739446_100000204255 [0,1,0,0,0,1|0,0,2]=4 3228 B14R1.837 COC(=O)CCOc1ccccc1N 34a_100000185747_100000742370 [0,1,0,0,0,1|0,0,2]=4 3229 B14R1.837 COC(=O)CCOc1ccccc1N 7a_100000185747_100000204255 [0,1,0,0,0,1|0,0,2]=4 3230 B14R1.837 COC(=O)CCSc1ccccc1Br 62a_100000204255_100000695589 [0,1,0,0,0,1|0,0,2]=4 3231 B14R1.837 COC(=O)CCSc1ccccc1Br 62a_100000695589_100000204255 [0,1,0,0,0,1|0,0,2]=4 3232 B14R1.837 COC(=O)CCSc1ccccc1C 62a_100000204255_100000210755 [0,1,0,0,0,1|0,0,2]=4 3233 B14R1.837 COC(=O)CCSc1ccccc1C 62a_100000210755_100000204255 [0,1,0,0,0,1|0,0,2]=4 3234 B14R1.837 COC(=O)CCSc1ccccc1Cl 62a_100000204255_100000764095 [0,1,0,0,0,1|0,0,2]=4 3235 B14R1.837 COC(=O)CCSc1ccccc1Cl 62a_100000764095_100000204255 [0,1,0,0,0,1|0,0,2]=4 3236 B14R1.837 COC(=O)CCSc1ccccc1F 62a_100000204255_100011215700 [0,1,0,0,0,1|0,0,2]=4 3237 B14R1.837 COC(=O)CCSc1ccccc1F 62a_100011215700_100000204255 [0,1,0,0,0,1|0,0,2]=4 3238 B14R1.837 COC(=O)CCSc1ccccc1N 62a_100000204255_100000210017 [0,1,0,0,0,1|0,0,2]=4 3239 B14R1.837 COC(=O)CCSc1ccccc1N 62a_100000210017_100000204255 [0,1,0,0,0,1|0,0,2]=4 3240 B14R1.837 COC(=O)CCSc1ccccc1O 62a_100000204255_100000739446 [0,1,0,0,0,1|0,0,2]=4 3241 B14R1.837 COC(=O)CCSc1ccccc1O 62a_100000739446_100000204255 [0,1,0,0,0,1|0,0,2]=4 3242 B14R1.837 COC(=O)CNCc1ccccc1Br 2230a_100000689332_100000747449 [0,1,0,0,0,1|0,0,2]=4 3243 B14R1.837 COC(=O)CNCc1ccccc1Br 34a_100000689332_100000747449 [0,1,0,0,0,1|0,0,2]=4 3244 B14R1.837 COC(=O)CNCc1ccccc1C 34a_100000174972_100000747449 [0,1,0,0,0,1|0,0,2]=4 3245 B14R1.837 COC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000747449 [0,1,0,0,0,1|0,0,2]=4 3246 B14R1.837 COC(=O)CNCc1ccccc1Cl 34a_100000174879_100000747449 [0,1,0,0,0,1|0,0,2]=4 3247 B14R1.837 COC(=O)CNCc1ccccc1F 34a_100000174869_100000747449 [0,1,0,0,0,1|0,0,2]=4 3248 B14R1.837 COC(=O)CNCc1ccccc1O 34a_100000185550_100000747449 [0,1,0,0,0,1|0,0,2]=4 3249 B14R1.837 COC(=O)COCc1ccccc1Br 34a_100000756307_100000747449 [0,1,0,0,0,1|0,0,2]=4 3250 B14R1.837 COC(=O)COCc1ccccc1Br 7a_100000756307_100000747449 [0,1,0,0,0,1|0,0,2]=4 3251 B14R1.837 COC(=O)COCc1ccccc1C 34a_100000698903_100000747449 [0,1,0,0,0,1|0,0,2]=4 3252 B14R1.837 COC(=O)COCc1ccccc1C 7a_100000698903_100000747449 [0,1,0,0,0,1|0,0,2]=4 3253 B14R1.837 COC(=O)COCc1ccccc1Cl 34a_100000210847_100000747449 [0,1,0,0,0,1|0,0,2]=4 3254 B14R1.837 COC(=O)COCc1ccccc1Cl 7a_100000210847_100000747449 [0,1,0,0,0,1|0,0,2]=4 3255 B14R1.837 COC(=O)COCc1ccccc1F 34a_100000211962_100000747449 [0,1,0,0,0,1|0,0,2]=4 3256 B14R1.837 COC(=O)COCc1ccccc1F 7a_100000211962_100000747449 [0,1,0,0,0,1|0,0,2]=4 3257 B14R1.837 COC(=O)COCc1ccccc1I 34a_100000187465_100000747449 [0,1,0,0,0,1|0,0,2]=4 3258 B14R1.837 COC(=O)COCc1ccccc1I 7a_100000187465_100000747449 [0,1,0,0,0,1|0,0,2]=4 3259 B14R1.837 COC(=O)COCc1ccccc1N 34a_100000212039_100000747449 [0,1,0,0,0,1|0,0,2]=4 3260 B14R1.837 COC(=O)CSCc1ccccc1Br 62a_100000184730_100000747449 [0,1,0,0,0,1|0,0,2]=4 3261 B14R1.837 COC(=O)CSCc1ccccc1Br 62a_100000747449_100000184730 [0,1,0,0,0,1|0,0,2]=4 3262 B14R1.837 COC(=O)CSCc1ccccc1C 62a_100000211839_100000747449 [0,1,0,0,0,1|0,0,2]=4 3263 B14R1.837 COC(=O)CSCc1ccccc1C 62a_100000747449_100000211839 [0,1,0,0,0,1|0,0,2]=4 3264 B14R1.837 COC(=O)CSCc1ccccc1Cl 62a_100000187162_100000747449 [0,1,0,0,0,1|0,0,2]=4 3265 B14R1.837 COC(=O)CSCc1ccccc1Cl 62a_100000747449_100000187162 [0,1,0,0,0,1|0,0,2]=4 3266 B14R1.837 COC(=O)CSCc1ccccc1F 62a_100000211605_100000747449 [0,1,0,0,0,1|0,0,2]=4 3267 B14R1.837 COC(=O)CSCc1ccccc1F 62a_100000747449_100000211605 [0,1,0,0,0,1|0,0,2]=4 3268 B14R1.837 COC(=O)CSCc1ccccc1I 62a_100000747449_100011216222 [0,1,0,0,0,1|0,0,2]=4 3269 B14R1.837 COC(=O)CSCc1ccccc1I 62a_100011216222_100000747449 [0,1,0,0,0,1|0,0,2]=4 3270 B14R1.837 COC(=O)OCSc1ccccc1Br 62a_100000695589_100000139417 [0,1,0,0,0,1|1,0,1]=4 3271 B14R1.837 COC(=O)OCSc1ccccc1C 62a_100000210755_100000139417 [0,1,0,0,0,1|1,0,1]=4 3272 B14R1.837 COC(=O)OCSc1ccccc1Cl 62a_100000764095_100000139417 [0,1,0,0,0,1|1,0,1]=4 3273 B14R1.837 COC(=O)OCSc1ccccc1F 62a_100011215700_100000139417 [0,1,0,0,0,1|1,0,1]=4 3274 B14R1.837 COC(=O)OCSc1ccccc1N 62a_100000210017_100000139417 [0,1,0,0,0,1|1,0,1]=4 3275 B14R1.837 COC(=O)OCSc1ccccc1O 62a_100000739446_100000139417 [0,1,0,0,0,1|1,0,1]=4 3276 B14R1.1025 CCC(=O)NN=Cc1cccc(c1)Br 4a_100000183195_100000210085 [0,1,0,0,0,1|2,0,0]=4 3277 B14R1.1025 CCC(=O)NN=Cc1cccc(c1)C 4a_100000183195_100000211157 [0,1,0,0,0,1|2,0,0]=4 3278 B14R1.1025 CCC(=O)NN=Cc1cccc(c1)Cl 4a_100000183195_100000210801 [0,1,0,0,0,1|2,0,0]=4 3279 B14R1.1025 CCC(=O)NN=Cc1cccc(c1)F 4a_100000183195_100000210812 [0,1,0,0,0,1|2,0,0]=4 3280 B14R1.1025 CCC(=O)NN=Cc1cccc(c1)I 4a_100000183195_100000014684 [0,1,0,0,0,1|2,0,0]=4 3281 B14R1.1025 CCC(=O)NN=Cc1cccc(c1)O 4a_100000183195_100000188321 [0,1,0,0,0,1|2,0,0]=4 3282 B14R1.1025 COC(=O)C=NNc1cc(ccn1)Br 4a_100000764631_200011823558 [0,1,0,0,0,1|2,0,0]=4 3283 B14R1.1025 COC(=O)C=NNc1cc(ccn1)C 4a_100000746014_200011823558 [0,1,0,0,0,1|2,0,0]=4 3284 B14R1.1025 COC(=O)C=NNc1cc(ccn1)Cl 4a_100102524961_200011823558 [0,1,0,0,0,1|2,0,0]=4 3285 B14R1.1025 COC(=O)C=NNc1cc(ccn1)I 4a_100010221011_200011823558 [0,1,0,0,0,1|2,0,0]=4 3286 B14R1.1025 COC(=O)C=NNc1cc[nH]c(=O)c1 4a_100000120847_200011823558 [0,1,0,0,0,1|2,0,0]=4 3287 B14R1.1025 COC(=O)C=NNc1cccc(c1)Br 4a_100000217339_200011823558 [0,1,0,0,0,1|1,0,0]=3 3288 B14R1.1025 COC(=O)C=NNc1cccc(c1)C 4a_100000681630_200011823558 [0,1,0,0,0,1|1,0,0]=3 3289 B14R1.1025 COC(=O)C=NNc1cccc(c1)Cl 4a_100000184277_200011823558 [0,1,0,0,0,1|1,0,0]=3 3290 B14R1.1025 COC(=O)C=NNc1cccc(c1)F 4a_100000745080_200011823558 [0,1,0,0,0,1|1,0,0]=3 3291 B14R1.1025 COC(=O)C=NNc1cccc(c1)I 4a_100020605690_200011823558 [0,1,0,0,0,1|1,0,0]=3 3292 B14R1.1025 COC(=O)C=NNc1cccc(n1)Br 4a_100009817029_200011823558 [0,1,0,0,0,1|2,0,0]=4 3293 B14R1.1025 COC(=O)C=NNc1cccc(n1)C 4a_100011363444_200011823558 [0,1,0,0,0,1|2,0,0]=4 3294 B14R1.1025 COC(=O)C=NNc1cccc(n1)Cl 4a_100102524919_200011823558 [0,1,0,0,0,1|2,0,0]=4 3295 B14R1.1025 COC(=O)C=NNc1cccc(n1)F 4a_100000075452_200011823558 [0,1,0,0,0,1|2,0,0]=4 3296 B14R1.1025 COC(=O)C=NNc1ccnc(c1)Cl 4a_100000089018_200011823558 [0,1,0,0,0,1|2,0,0]=4 3297 B14R1.1025 COC(=O)C=NNc1cncc(c1)Br 4a_100000727789_200011823558 [0,1,0,0,0,1|2,0,0]=4 3298 B14R1.1025 COC(=O)C=NNc1cncc(c1)F 4a_200011955905_200011823558 [0,1,0,0,0,1|2,0,0]=4 3299 B14R1.1025 COC(=O)CCNc1cccc(c1)Br 34a_100000210019_100000742370 [0,1,0,0,0,1|0,0,2]=4 3300 B14R1.1025 COC(=O)CCNc1cccc(c1)C 2230a_100000188690_100000204255 [0,1,0,0,0,1|0,0,2]=4 3301 B14R1.1025 COC(=O)CCNc1cccc(c1)C 34a_100000188690_100000742370 [0,1,0,0,0,1|0,0,2]=4 3302 B14R1.1025 COC(=O)CCNc1cccc(c1)Cl 34a_100000185859_100000742370 [0,1,0,0,0,1|0,0,2]=4 3303 B14R1.1025 COC(=O)CCNc1cccc(c1)F 34a_100000210047_100000742370 [0,1,0,0,0,1|0,0,2]=4 3304 B14R1.1025 COC(=O)CCNc1cccc(c1)I 34a_100000211102_100000742370 [0,1,0,0,0,1|0,0,2]=4 3305 B14R1.1025 COC(=O)CCNc1cccc(c1)O 34a_100000210217_100000742370 [0,1,0,0,0,1|0,0,2]=4 3306 B14R1.1025 COC(=O)CCOc1cccc(c1)Br 34a_100000210342_100000742370 [0,1,0,0,0,1|0,0,2]=4 3307 B14R1.1025 COC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000204255 [0,1,0,0,0,1|0,0,2]=4 3308 B14R1.1025 COC(=O)CCOc1cccc(c1)C 34a_100000210337_100000742370 [0,1,0,0,0,1|0,0,2]=4 3309 B14R1.1025 COC(=O)CCOc1cccc(c1)C 7a_100000210337_100000204255 [0,1,0,0,0,1|0,0,2]=4 3310 B14R1.1025 COC(=O)CCOc1cccc(c1)Cl 34a_100000210295_100000742370 [0,1,0,0,0,1|0,0,2]=4 3311 B14R1.1025 COC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000204255 [0,1,0,0,0,1|0,0,2]=4 3312 B14R1.1025 COC(=O)CCOc1cccc(c1)F 34a_100000210426_100000742370 [0,1,0,0,0,1|0,0,2]=4 3313 B14R1.1025 COC(=O)CCOc1cccc(c1)F 7a_100000210426_100000204255 [0,1,0,0,0,1|0,0,2]=4 3314 B14R1.1025 COC(=O)CCOc1cccc(c1)I 34a_100000211634_100000742370 [0,1,0,0,0,1|0,0,2]=4 3315 B14R1.1025 COC(=O)CCOc1cccc(c1)I 7a_100000211634_100000204255 [0,1,0,0,0,1|0,0,2]=4 3316 B14R1.1025 COC(=O)CCOc1cccc(c1)N 34a_100000210217_100000742370 [0,1,0,0,0,1|0,0,2]=4 3317 B14R1.1025 COC(=O)CCSc1cccc(c1)Br 62a_100000204255_100000691529 [0,1,0,0,0,1|0,0,2]=4 3318 B14R1.1025 COC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000204255 [0,1,0,0,0,1|0,0,2]=4 3319 B14R1.1025 COC(=O)CCSc1cccc(c1)C 62a_100000204255_100011215228 [0,1,0,0,0,1|0,0,2]=4 3320 B14R1.1025 COC(=O)CCSc1cccc(c1)C 62a_100011215228_100000204255 [0,1,0,0,0,1|0,0,2]=4 3321 B14R1.1025 COC(=O)CCSc1cccc(c1)Cl 62a_100000204255_100000699651 [0,1,0,0,0,1|0,0,2]=4 3322 B14R1.1025 COC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000204255 [0,1,0,0,0,1|0,0,2]=4 3323 B14R1.1025 COC(=O)CCSc1cccc(c1)F 62a_100000204255_100000685547 [0,1,0,0,0,1|0,0,2]=4 3324 B14R1.1025 COC(=O)CCSc1cccc(c1)F 62a_100000685547_100000204255 [0,1,0,0,0,1|0,0,2]=4 3325 B14R1.1025 COC(=O)CCSc1cccc(c1)N 62a_100000204255_100000210019 [0,1,0,0,0,1|0,0,2]=4 3326 B14R1.1025 COC(=O)CCSc1cccc(c1)N 62a_100000210019_100000204255 [0,1,0,0,0,1|0,0,2]=4 3327 B14R1.1025 COC(=O)CCSc1cccc(c1)O 62a_100000204255_100000211634 [0,1,0,0,0,1|0,0,2]=4 3328 B14R1.1025 COC(=O)CCSc1cccc(c1)[S] 62a_100000204255_114929384022 [0,1,0,0,0,1|0,0,2]=4 3329 B14R1.1025 COC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000204255 [0,1,0,0,0,1|0,0,2]=4 3330 B14R1.1025 COC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000747449 [0,1,0,0,0,1|0,0,2]=4 3331 B14R1.1025 COC(=O)CNCc1cccc(c1)Br 34a_100000174977_100000747449 [0,1,0,0,0,1|0,0,2]=4 3332 B14R1.1025 COC(=O)CNCc1cccc(c1)C 2230a_100000185548_100000747449 [0,1,0,0,0,1|0,0,2]=4 3333 B14R1.1025 COC(=O)CNCc1cccc(c1)C 34a_100000185548_100000747449 [0,1,0,0,0,1|0,0,2]=4 3334 B14R1.1025 COC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000747449 [0,1,0,0,0,1|0,0,2]=4 3335 B14R1.1025 COC(=O)CNCc1cccc(c1)Cl 34a_100000174878_100000747449 [0,1,0,0,0,1|0,0,2]=4 3336 B14R1.1025 COC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000747449 [0,1,0,0,0,1|0,0,2]=4 3337 B14R1.1025 COC(=O)CNCc1cccc(c1)F 34a_100000174948_100000747449 [0,1,0,0,0,1|0,0,2]=4 3338 B14R1.1025 COC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000747449 [0,1,0,0,0,1|0,0,2]=4 3339 B14R1.1025 COC(=O)CNCc1cccc(c1)I 34a_100000106179_100000747449 [0,1,0,0,0,1|0,0,2]=4 3340 B14R1.1025 COC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000747449 [0,1,0,0,0,1|0,0,2]=4 3341 B14R1.1025 COC(=O)CNCc1cccc(c1)O 34a_100000743036_100000747449 [0,1,0,0,0,1|0,0,2]=4 3342 B14R1.1025 COC(=O)COCc1cccc(c1)Br 34a_100000687537_100000747449 [0,1,0,0,0,1|0,0,2]=4 3343 B14R1.1025 COC(=O)COCc1cccc(c1)Br 7a_100000687537_100000747449 [0,1,0,0,0,1|0,0,2]=4 3344 B14R1.1025 COC(=O)COCc1cccc(c1)C 34a_100011217746_100000747449 [0,1,0,0,0,1|0,0,2]=4 3345 B14R1.1025 COC(=O)COCc1cccc(c1)C 7a_100011217746_100000747449 [0,1,0,0,0,1|0,0,2]=4 3346 B14R1.1025 COC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000747449 [0,1,0,0,0,1|0,0,2]=4 3347 B14R1.1025 COC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000747449 [0,1,0,0,0,1|0,0,2]=4 3348 B14R1.1025 COC(=O)COCc1cccc(c1)F 34a_100000210976_100000747449 [0,1,0,0,0,1|0,0,2]=4 3349 B14R1.1025 COC(=O)COCc1cccc(c1)F 7a_100000210976_100000747449 [0,1,0,0,0,1|0,0,2]=4 3350 B14R1.1025 COC(=O)COCc1cccc(c1)I 34a_100011215336_100000747449 [0,1,0,0,0,1|0,0,2]=4 3351 B14R1.1025 COC(=O)COCc1cccc(c1)I 7a_100011215336_100000747449 [0,1,0,0,0,1|0,0,2]=4 3352 B14R1.1025 COC(=O)COCc1cccc(c1)N 34a_100000211919_100000747449 [0,1,0,0,0,1|0,0,2]=4 3353 B14R1.1025 COC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000747449 [0,1,0,0,0,1|0,0,2]=4 3354 B14R1.1025 COC(=O)CSCc1cccc(c1)Br 62a_100000747449_100000211773 [0,1,0,0,0,1|0,0,2]=4 3355 B14R1.1025 COC(=O)CSCc1cccc(c1)C 62a_100000211840_100000747449 [0,1,0,0,0,1|0,0,2]=4 3356 B14R1.1025 COC(=O)CSCc1cccc(c1)C 62a_100000747449_100000211840 [0,1,0,0,0,1|0,0,2]=4 3357 B14R1.1025 COC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000747449 [0,1,0,0,0,1|0,0,2]=4 3358 B14R1.1025 COC(=O)CSCc1cccc(c1)Cl 62a_100000747449_100000187163 [0,1,0,0,0,1|0,0,2]=4 3359 B14R1.1025 COC(=O)CSCc1cccc(c1)F 62a_100000230114_100000747449 [0,1,0,0,0,1|0,0,2]=4 3360 B14R1.1025 COC(=O)CSCc1cccc(c1)F 62a_100000747449_100000230114 [0,1,0,0,0,1|0,0,2]=4 3361 B14R1.1025 COC(=O)CSCc1cccc(c1)I 62a_100000747449_100011218688 [0,1,0,0,0,1|0,0,2]=4 3362 B14R1.1025 COC(=O)CSCc1cccc(c1)I 62a_100011218688_100000747449 [0,1,0,0,0,1|0,0,2]=4 3363 B14R1.1025 COC(=O)CSCc1cccc(c1)O 62a_100000747449_100011660834 [0,1,0,0,0,1|0,0,2]=4 3364 B14R1.1025 COC(=O)CSCc1cccc(c1)O 62a_100011660834_100000747449 [0,1,0,0,0,1|0,0,2]=4 3365 B14R1.1025 COC(=O)OCSc1cccc(c1)Br 62a_100000691529_100000139417 [0,1,0,0,0,1|1,0,1]=4 3366 B14R1.1025 COC(=O)OCSc1cccc(c1)C 62a_100011215228_100000139417 [0,1,0,0,0,1|1,0,1]=4 3367 B14R1.1025 COC(=O)OCSc1cccc(c1)Cl 62a_100000699651_100000139417 [0,1,0,0,0,1|1,0,1]=4 3368 B14R1.1025 COC(=O)OCSc1cccc(c1)F 62a_100000685547_100000139417 [0,1,0,0,0,1|1,0,1]=4 3369 B14R1.1025 COC(=O)OCSc1cccc(c1)N 62a_100000210019_100000139417 [0,1,0,0,0,1|1,0,1]=4 3370 B14R1.1025 COC(=O)OCSc1cccc(c1)[S] 62a_114929384022_100000139417 [0,1,0,0,0,1|1,0,1]=4 3371 B14R1.6449 C=C(C)C(=O)C/C=C/c1ccccc1 1458a_100000185857_100016265936 [0,1,0,0,0,1|1,0,0]=3 3372 B14R1.6449 CC(C)C(=O)C/C=C/c1ccccc1 1458a_100000210198_100016265936 [0,1,0,0,0,1|1,0,0]=3 3373 B14R1.6449 CC(C)C(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210206 [0,1,0,0,0,1|1,0,0]=3 3374 B14R1.6449 CC(C)C(=O)C=CSc1ccccc1 1458a_100016262050_100000210206 [0,1,0,0,0,1|1,0,0]=3 3375 B14R1.6449 CC(C)C(=O)NN=Cc1ccccc1 4a_100000184118_100015611070 [0,1,0,0,0,1|2,0,0]=4 3376 B14R1.6449 CC(F)C(=O)C/C=C/c1ccccc1 1458a_100000062450_100016265936 [0,1,0,0,0,1|1,0,0]=3 3377 B14R1.6449 CN(C)C(=O)C/C=C/c1ccccc1 11a_100102631434_100011219626 [0,1,0,0,0,1|1,0,0]=3 3378 B14R1.6449 CN(C)C(=O)C/C=C/c1ccccc1 1626a_100102631434_100011219626 [0,1,0,0,0,1|1,0,0]=3 3379 B14R1.6449 CN(C)C(=O)C/C=C/c1ccccc1 240690a_100102631434_100011219626 [0,1,0,0,0,1|1,0,0]=3 3380 B14R1.6449 CN(C)C(=O)C=CSc1ccccc1 11a_100102631434_100016262050 [0,1,0,0,0,1|1,0,0]=3 3381 B14R1.6449 CN(C)C(=O)C=CSc1ccccc1 1626a_100102631434_100016262050 [0,1,0,0,0,1|1,0,0]=3 3382 B14R1.6449 CN(C)C(=O)C=CSc1ccccc1 240690a_100102631434_100016262050 [0,1,0,0,0,1|1,0,0]=3 3383 B14R1.6449 C[C@@H](O)C(=O)C/C=C/c1ccccc1 1458a_100000717761_100016265936 [0,1,0,0,0,1|1,0,0]=3 3384 B14R1.6449 C[C@H](O)C(=O)C/C=C/c1ccccc1 1458a_217856618621_100016265936 [0,1,0,0,0,1|1,0,0]=3 3385 B14R1.6449 O=C(C/C=C/c1ccccc1)C(O)O 1458a_100000233687_100016265936 [0,1,0,0,0,1|2,0,0]=4 3386 B14R1.709 COC(=O)COc1cccccc1=O 34a_100000036025_100000747449 [0,1,0,0,0,1|1,0,1]=4 3387 B14R1.709 COC(=O)COc1cccccc1=O 7a_100000036025_100000747449 [0,1,0,0,0,1|1,0,1]=4 3388 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000747405 [0,2,0,0,0,0|1,0,1]=4 3389 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000210414_100000188085 [0,2,0,0,0,0|1,0,1]=4 3390 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000747405 [0,2,0,0,0,0|1,0,1]=4 3391 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000210414_100000211441 [0,2,0,0,0,0|1,0,1]=4 3392 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000747405 [0,2,0,0,0,0|1,0,1]=4 3393 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210414_100000211071 [0,2,0,0,0,0|1,0,1]=4 3394 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000747405 [0,2,0,0,0,0|1,0,1]=4 3395 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000210414_100000211279 [0,2,0,0,0,0|1,0,1]=4 3396 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000747405 [0,2,0,0,0,0|1,0,1]=4 3397 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000210414_100011216261 [0,2,0,0,0,0|1,0,1]=4 3398 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000210414_100009814261 [0,2,0,0,0,0|1,0,1]=4 3399 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000747405 [0,2,0,0,0,0|1,0,1]=4 3400 B14R1.10 CNC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000183359 [0,2,0,0,0,0|1,0,1]=4 3401 B14R1.10 CNC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000183359 [0,2,0,0,0,0|1,0,1]=4 3402 B14R1.10 CNC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000183359 [0,2,0,0,0,0|1,0,1]=4 3403 B14R1.10 CNC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000183359 [0,2,0,0,0,0|1,0,1]=4 3404 B14R1.10 CNC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000183359 [0,2,0,0,0,0|1,0,1]=4 3405 B14R1.10 CNC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000183359 [0,2,0,0,0,0|1,0,1]=4 3406 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000747449 [0,2,0,0,0,0|0,0,1]=3 3407 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000747449 [0,2,0,0,0,0|0,0,1]=3 3408 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000747449 [0,2,0,0,0,0|0,0,1]=3 3409 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000747449 [0,2,0,0,0,0|0,0,1]=3 3410 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000747449 [0,2,0,0,0,0|0,0,1]=3 3411 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000747449 [0,2,0,0,0,0|0,0,1]=3 3412 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100014373347 [0,2,0,0,0,0|0,0,1]=3 3413 B14R1.10 COC(=O)CC(N)c1ccc(cc1)O 271570a_203496583355_100000736623 [0,2,0,0,0,0|0,0,2]=4 3414 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000747449 [0,2,0,0,0,0|1,0,1]=4 3415 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000747449 [0,2,0,0,0,0|1,0,1]=4 3416 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Br 34a_100000219623_100000747449 [0,2,0,0,0,0|1,0,1]=4 3417 B14R1.10 COC(=O)CN(C)c1ccc(cc1)C 2230a_100000219977_100000747449 [0,2,0,0,0,0|1,0,1]=4 3418 B14R1.10 COC(=O)CN(C)c1ccc(cc1)C 269982a_100000219977_100000747449 [0,2,0,0,0,0|1,0,1]=4 3419 B14R1.10 COC(=O)CN(C)c1ccc(cc1)C 34a_100000219977_100000747449 [0,2,0,0,0,0|1,0,1]=4 3420 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000747449 [0,2,0,0,0,0|1,0,1]=4 3421 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000747449 [0,2,0,0,0,0|1,0,1]=4 3422 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000747449 [0,2,0,0,0,0|1,0,1]=4 3423 B14R1.10 COC(=O)CN(C)c1ccc(cc1)F 2230a_100000219829_100000747449 [0,2,0,0,0,0|1,0,1]=4 3424 B14R1.10 COC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_100000747449 [0,2,0,0,0,0|1,0,1]=4 3425 B14R1.10 COC(=O)CN(C)c1ccc(cc1)F 34a_100000219829_100000747449 [0,2,0,0,0,0|1,0,1]=4 3426 B14R1.10 COC(=O)CN(C)c1ccc(cc1)I 2230a_100000743151_100000747449 [0,2,0,0,0,0|1,0,1]=4 3427 B14R1.10 COC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_100000747449 [0,2,0,0,0,0|1,0,1]=4 3428 B14R1.10 COC(=O)CN(C)c1ccc(cc1)I 34a_100000743151_100000747449 [0,2,0,0,0,0|1,0,1]=4 3429 B14R1.10 COC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000747449 [0,2,0,0,0,0|1,0,1]=4 3430 B14R1.10 COC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100000747449 [0,2,0,0,0,0|1,0,1]=4 3431 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210414_100000212080 [0,2,0,0,0,0|1,0,1]=4 3432 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000747405 [0,2,0,0,0,0|1,0,1]=4 3433 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000747405 [0,2,0,0,0,0|1,0,1]=4 3434 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)C 1458a_100000210414_100000739480 [0,2,0,0,0,0|1,0,1]=4 3435 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000747405 [0,2,0,0,0,0|1,0,1]=4 3436 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210414_100000211444 [0,2,0,0,0,0|1,0,1]=4 3437 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)F 1458a_100000210414_100000215616 [0,2,0,0,0,0|1,0,1]=4 3438 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000747405 [0,2,0,0,0,0|1,0,1]=4 3439 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000747405 [0,2,0,0,0,0|1,0,1]=4 3440 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000747405 [0,2,0,0,0,0|1,0,1]=4 3441 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)O 1458a_100000210414_100009813753 [0,2,0,0,0,0|1,0,1]=4 3442 B14R1.11 CNC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000183359 [0,2,0,0,0,0|1,0,1]=4 3443 B14R1.11 CNC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000183359 [0,2,0,0,0,0|1,0,1]=4 3444 B14R1.11 CNC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000183359 [0,2,0,0,0,0|1,0,1]=4 3445 B14R1.11 CNC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000183359 [0,2,0,0,0,0|1,0,1]=4 3446 B14R1.11 CNC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000183359 [0,2,0,0,0,0|1,0,1]=4 3447 B14R1.11 CNC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000183359 [0,2,0,0,0,0|1,0,1]=4 3448 B14R1.11 COC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000747449 [0,2,0,0,0,0|0,0,1]=3 3449 B14R1.11 COC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000747449 [0,2,0,0,0,0|0,0,1]=3 3450 B14R1.11 COC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000747449 [0,2,0,0,0,0|0,0,1]=3 3451 B14R1.11 COC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000747449 [0,2,0,0,0,0|0,0,1]=3 3452 B14R1.11 COC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000747449 [0,2,0,0,0,0|0,0,1]=3 3453 B14R1.11 COC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000747449 [0,2,0,0,0,0|0,0,1]=3 3454 B14R1.11 COC(=O)CC(=O)c1cccc(c1)O 271570a_203496583355_100012340505 [0,2,0,0,0,0|0,0,1]=3 3455 B14R1.11 COC(=O)CC(=O)c1cncc(c1)O 271570a_203496583355_100009813722 [0,2,0,0,0,0|1,0,1]=4 3456 B14R1.11 COC(=O)CN(C)c1cccc(c1)Br 2230a_100000219648_100000747449 [0,2,0,0,0,0|1,0,1]=4 3457 B14R1.11 COC(=O)CN(C)c1cccc(c1)Br 269982a_100000219648_100000747449 [0,2,0,0,0,0|1,0,1]=4 3458 B14R1.11 COC(=O)CN(C)c1cccc(c1)Br 34a_100000219648_100000747449 [0,2,0,0,0,0|1,0,1]=4 3459 B14R1.11 COC(=O)CN(C)c1cccc(c1)C 2230a_100000219674_100000747449 [0,2,0,0,0,0|1,0,1]=4 3460 B14R1.11 COC(=O)CN(C)c1cccc(c1)C 269982a_100000219674_100000747449 [0,2,0,0,0,0|1,0,1]=4 3461 B14R1.11 COC(=O)CN(C)c1cccc(c1)C 34a_100000219674_100000747449 [0,2,0,0,0,0|1,0,1]=4 3462 B14R1.11 COC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000747449 [0,2,0,0,0,0|1,0,1]=4 3463 B14R1.11 COC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000747449 [0,2,0,0,0,0|1,0,1]=4 3464 B14R1.11 COC(=O)CN(C)c1cccc(c1)Cl 34a_100000220044_100000747449 [0,2,0,0,0,0|1,0,1]=4 3465 B14R1.11 COC(=O)CN(C)c1cccc(c1)F 2230a_100020633736_100000747449 [0,2,0,0,0,0|1,0,1]=4 3466 B14R1.11 COC(=O)CN(C)c1cccc(c1)F 269982a_100020633736_100000747449 [0,2,0,0,0,0|1,0,1]=4 3467 B14R1.11 COC(=O)CN(C)c1cccc(c1)F 34a_100020633736_100000747449 [0,2,0,0,0,0|1,0,1]=4 3468 B14R1.11 COC(=O)CN(C)c1cccc(c1)I 2230a_100000221217_100000747449 [0,2,0,0,0,0|1,0,1]=4 3469 B14R1.11 COC(=O)CN(C)c1cccc(c1)I 269982a_100000221217_100000747449 [0,2,0,0,0,0|1,0,1]=4 3470 B14R1.11 COC(=O)CN(C)c1cccc(c1)I 34a_100000221217_100000747449 [0,2,0,0,0,0|1,0,1]=4 3471 B14R1.11 COC(=O)CN(C)c1cccc(c1)O 2230a_100000756613_100000747449 [0,2,0,0,0,0|1,0,1]=4 3472 B14R1.11 COC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_100000747449 [0,2,0,0,0,0|1,0,1]=4 3473 B14R1.11 COC(=O)CN(C)c1cccc(c1)O 34a_100000756613_100000747449 [0,2,0,0,0,0|1,0,1]=4 3474 B14R1.11 COC(=O)C[C@@H](N)c1cccc(c1)O 271570a_203496583355_100000700175 [0,2,0,0,0,0|0,0,2]=4 3475 B14R1.29 C#CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000184674 [0,2,0,0,0,0|1,0,1]=4 3476 B14R1.29 C=CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210623 [0,2,0,0,0,0|1,0,1]=4 3477 B14R1.29 C=COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000036128 [0,2,0,0,0,0|0,0,2]=4 3478 B14R1.29 CC#CC(=O)CC(=O)c1ccccc1 1458a_100000763181_100000211460 [0,2,0,0,0,0|1,0,1]=4 3479 B14R1.29 CC(=CC(=O)CC#N)c1ccccc1 1458a_100000743005_100011214920 [0,2,0,0,0,0|1,0,1]=4 3480 B14R1.29 CC(=CC(=O)CCF)c1ccccc1 1458a_100000743005_100011217306 [0,2,0,0,0,0|1,0,0]=3 3481 B14R1.29 CC(=CC(=O)CCO)c1ccccc1 1458a_100000743005_100000211926 [0,2,0,0,0,0|1,0,0]=3 3482 B14R1.29 CC=CC(=O)CC(=O)c1ccccc1 1458a_100000210699_100000211460 [0,2,0,0,0,0|1,0,1]=4 3483 B14R1.29 CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210303 [0,2,0,0,0,0|1,0,0]=3 3484 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747444 [0,2,0,0,0,0|1,0,1]=4 3485 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000211992_100000211460 [0,2,0,0,0,0|1,0,1]=4 3486 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 11a_100015525214_100000743005 [0,2,0,0,0,0|1,0,0]=3 3487 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 240690a_100015525214_100000743005 [0,2,0,0,0,0|1,0,0]=3 3488 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 527a_100015525214_100000743005 [0,2,0,0,0,0|1,0,0]=3 3489 B14R1.29 CCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183381 [0,2,0,0,0,0|1,0,1]=4 3490 B14R1.29 CCOC(=O)/C=C(\C)/c1ccccc1 271570a_100050291487_100000210277 [0,2,0,0,0,0|0,0,0]=2 3491 B14R1.29 CCOC(=O)/C=C(\C)/c1ccccn1 271570a_100050291487_100011216584 [0,2,0,0,0,0|1,0,0]=3 3492 B14R1.29 CCOC(=O)/C=C(\C)/c1cccnc1 271570a_100050291487_100000752921 [0,2,0,0,0,0|1,0,0]=3 3493 B14R1.29 CCOC(=O)/C=C(\C)/c1cccnn1 271570a_100050291487_100016991348 [0,2,0,0,0,0|2,0,0]=4 3494 B14R1.29 CCOC(=O)/C=C(\C)/c1ccncc1 271570a_100050291487_100000035832 [0,2,0,0,0,0|1,0,0]=3 3495 B14R1.29 CCOC(=O)/C=C(\C)/c1ccncn1 271570a_100050291487_100000703185 [0,2,0,0,0,0|2,0,0]=4 3496 B14R1.29 CCOC(=O)/C=C(\C)/c1ccnnc1 271570a_100050291487_100000732662 [0,2,0,0,0,0|2,0,0]=4 3497 B14R1.29 CCOC(=O)/C=C(\C)/c1cnccn1 271570a_100050291487_100000758340 [0,2,0,0,0,0|2,0,0]=4 3498 B14R1.29 CCOC(=O)/C=C(\C)/c1cncnc1 271570a_100050291487_100011206942 [0,2,0,0,0,0|2,0,0]=4 3499 B14R1.29 CCOC(=O)/C=C(\C)/c1ncccn1 271570a_100050291487_100000211032 [0,2,0,0,0,0|2,0,0]=4 3500 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000188475 [0,2,0,0,0,0|0,0,1]=3 3501 B14R1.29 CCOC(=O)CN(C)c1ccccc1 2230a_100000210012_100000188475 [0,2,0,0,0,0|1,0,1]=4 3502 B14R1.29 CCOC(=O)CN(C)c1ccccc1 2230a_100000219562_200000210301 [0,2,0,0,0,0|1,0,1]=4 3503 B14R1.29 CCOC(=O)CN(C)c1ccccc1 269982a_100000210012_100000188475 [0,2,0,0,0,0|1,0,1]=4 3504 B14R1.29 CCOC(=O)CN(C)c1ccccc1 269982a_100000219562_200000210301 [0,2,0,0,0,0|1,0,1]=4 3505 B14R1.29 CCOC(=O)CN(C)c1ccccc1 34a_100000210012_100000188475 [0,2,0,0,0,0|1,0,1]=4 3506 B14R1.29 CCOC(=O)CN([13CH3])c1ccccc1 2230a_100000219562_200025704644 [0,2,0,0,0,0|1,0,1]=4 3507 B14R1.29 CCOC(=O)CN([13CH3])c1ccccc1 269982a_100000219562_200025704644 [0,2,0,0,0,0|1,0,1]=4 3508 B14R1.29 CNCC(=O)NC(=O)c1ccccc1 7a_106832991635_100000010347 [0,2,0,0,0,0|2,0,0]=4 3509 B14R1.29 CNNC(=O)C=C(C)c1ccccc1 22a_100016993582_100000743005 [0,2,0,0,0,0|1,0,0]=3 3510 B14R1.29 COCC(=O)CC(=O)c1ccccc1 1458a_100000210968_100000211460 [0,2,0,0,0,0|0,0,1]=3 3511 B14R1.29 COCC(=O)CC(=O)c1ccccn1 1458a_100000210968_100000027445 [0,2,0,0,0,0|1,0,1]=4 3512 B14R1.29 COCC(=O)CC(=O)c1cccnc1 1458a_100000210968_100015188593 [0,2,0,0,0,0|1,0,1]=4 3513 B14R1.29 COCC(=O)CC(=O)c1ccncc1 1458a_100000210968_100000027454 [0,2,0,0,0,0|1,0,1]=4 3514 B14R1.29 COCC(=O)CC(C)c1ccccc1 1458a_100000210968_100000756946 [0,2,0,0,0,0|0,0,2]=4 3515 B14R1.29 COCC(=O)CC(O)c1ccccc1 1458a_100000210968_100000185958 [0,2,0,0,0,0|0,0,2]=4 3516 B14R1.29 COCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210968_100011933945 [0,2,0,0,0,0|0,0,2]=4 3517 B14R1.29 COCC(=O)NC(C)c1ccccc1 34a_100138415774_200000243715 [0,2,0,0,0,0|1,0,1]=4 3518 B14R1.29 COCC(=O)N[C@@H](C)c1ccccc1 34a_100138415774_100011939912 [0,2,0,0,0,0|1,0,1]=4 3519 B14R1.29 COCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210968 [0,2,0,0,0,0|1,0,1]=4 3520 B14R1.29 COCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210968 [0,2,0,0,0,0|1,0,1]=4 3521 B14R1.29 COCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210968 [0,2,0,0,0,0|1,0,1]=4 3522 B14R1.29 COCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210968 [0,2,0,0,0,0|1,0,1]=4 3523 B14R1.29 CSCC(=O)CC(=O)c1ccccc1 1458a_100000184570_100000211460 [0,2,0,0,0,0|0,1,1]=4 3524 B14R1.29 CSCC(=O)NC(=O)c1ccccc1 62a_200000210301_100000010347 [0,2,0,0,0,0|1,1,0]=4 3525 B14R1.29 O=C(CC(=O)c1ccccc1)NCO 1458a_100000185807_100000185155 [0,2,0,0,0,0|1,0,1]=4 3526 B14R1.29 O=C(CCO)CC(=O)c1ccccc1 1458a_100011216618_100000211460 [0,2,0,0,0,0|1,0,1]=4 3527 B14R1.29 [13CH3]SCC(=O)NC(=O)c1ccccc1 62a_200025704644_100000010347 [0,2,0,0,0,0|1,1,0]=4 3528 B14R1.85 CCC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_100000210202 [0,2,0,0,0,0|2,0,0]=4 3529 B14R1.85 CCC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000742827 [0,2,0,0,0,0|1,0,1]=4 3530 B14R1.85 CCC(=O)C(C)C(=O)c1ccccc1 1458a_100000210414_100000239700 [0,2,0,0,0,0|1,0,1]=4 3531 B14R1.85 CNC(=O)C(=O)C(C)c1ccccc1 1458a_100011218921_100000230085 [0,2,0,0,0,0|1,0,1]=4 3532 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 1626a_100000210012_100011218921 [0,2,0,0,0,0|2,0,0]=4 3533 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 1626a_100102657272_100011297159 [0,2,0,0,0,0|2,0,0]=4 3534 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 22a_100000210012_100011218921 [0,2,0,0,0,0|2,0,0]=4 3535 B14R1.85 CNC(=O)C(=O)N(C)c1ccccc1 240690a_100102657272_100011297159 [0,2,0,0,0,0|2,0,0]=4 3536 B14R1.85 CNC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000209862 [0,2,0,0,0,0|1,0,1]=4 3537 B14R1.85 CNC(=O)C(F)C(=O)c1ccccc1 1458a_100000185807_100009813575 [0,2,0,0,0,0|1,0,1]=4 3538 B14R1.85 COC(=O)C(=O)N(C)c1ccccc1 11a_100000210012_100000024059 [0,2,0,0,0,0|1,0,0]=3 3539 B14R1.85 COC(=O)C(=O)N(C)c1ccccc1 1626a_100000210012_100000024059 [0,2,0,0,0,0|1,0,0]=3 3540 B14R1.85 COC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000211248 [0,2,0,0,0,0|0,0,1]=3 3541 B14R1.85 COC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100000211248 [0,2,0,0,0,0|1,0,1]=4 3542 B14R1.85 COC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100000211248 [0,2,0,0,0,0|1,0,1]=4 3543 B14R1.85 COC(=O)C(C)N(C)c1ccccc1 34a_100000210012_100000211248 [0,2,0,0,0,0|1,0,1]=4 3544 B14R1.415 C=C(C)C(=O)CC(=O)c1ccccc1 1458a_100000185857_100000211460 [0,2,0,0,0,0|1,0,1]=4 3545 B14R1.415 CC(=CC(=O)C(C)C)c1ccccc1 1458a_100000743005_100000210206 [0,2,0,0,0,0|1,0,0]=3 3546 B14R1.415 CC(=CC(=O)N(C)C)c1ccccc1 11a_100102631434_100000743005 [0,2,0,0,0,0|1,0,0]=3 3547 B14R1.415 CC(=CC(=O)N(C)C)c1ccccc1 1626a_100102631434_100000743005 [0,2,0,0,0,0|1,0,0]=3 3548 B14R1.415 CC(=CC(=O)N(C)C)c1ccccc1 240690a_100102631434_100000743005 [0,2,0,0,0,0|1,0,0]=3 3549 B14R1.415 CC(=CC(=O)N(C)C)c1ccccc1 527a_100102631434_100000743005 [0,2,0,0,0,0|1,0,0]=3 3550 B14R1.415 CC(=O)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100011261029 [0,2,0,0,0,0|1,0,1]=4 3551 B14R1.415 CC(C)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100000753385 [0,2,0,0,0,0|1,0,1]=4 3552 B14R1.415 CC(C)C(=O)CC(=O)c1ccccc1 1458a_100000210198_100000211460 [0,2,0,0,0,0|1,0,1]=4 3553 B14R1.415 CC(F)C(=O)CC(=O)c1ccccc1 1458a_100000062450_100000211460 [0,2,0,0,0,0|1,0,1]=4 3554 B14R1.415 CN(C)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100000185267 [0,2,0,0,0,0|1,0,1]=4 3555 B14R1.415 C[C@@H](O)C(=O)CC(=O)c1ccccc1 1458a_100000717761_100000211460 [0,2,0,0,0,0|1,0,1]=4 3556 B14R1.415 C[C@H](O)C(=O)CC(=O)c1ccccc1 1458a_217856618621_100000211460 [0,2,0,0,0,0|1,0,1]=4 3557 B14R1.587 CCC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000747405 [0,2,0,0,0,0|1,0,1]=4 3558 B14R1.587 CCC(=O)CC(=O)c1ccccc1Br 1458a_100000210414_100000199116 [0,2,0,0,0,0|1,0,1]=4 3559 B14R1.587 CCC(=O)CC(=O)c1ccccc1C 1458a_100000210414_100000741374 [0,2,0,0,0,0|1,0,1]=4 3560 B14R1.587 CCC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000747405 [0,2,0,0,0,0|1,0,1]=4 3561 B14R1.587 CCC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000747405 [0,2,0,0,0,0|1,0,1]=4 3562 B14R1.587 CCC(=O)CC(=O)c1ccccc1Cl 1458a_100000210414_100000211432 [0,2,0,0,0,0|1,0,1]=4 3563 B14R1.587 CCC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000747405 [0,2,0,0,0,0|1,0,1]=4 3564 B14R1.587 CCC(=O)CC(=O)c1ccccc1F 1458a_100000210414_100000204681 [0,2,0,0,0,0|1,0,1]=4 3565 B14R1.587 CCC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000747405 [0,2,0,0,0,0|1,0,1]=4 3566 B14R1.587 CCC(=O)CC(=O)c1ccccc1O 1458a_100000210414_100000188908 [0,2,0,0,0,0|1,0,1]=4 3567 B14R1.587 CCC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000747405 [0,2,0,0,0,0|1,0,1]=4 3568 B14R1.587 CCC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000747405 [0,2,0,0,0,0|1,0,1]=4 3569 B14R1.587 CNC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000183359 [0,2,0,0,0,0|1,0,1]=4 3570 B14R1.587 CNC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000183359 [0,2,0,0,0,0|1,0,1]=4 3571 B14R1.587 CNC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000183359 [0,2,0,0,0,0|1,0,1]=4 3572 B14R1.587 CNC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000183359 [0,2,0,0,0,0|1,0,1]=4 3573 B14R1.587 CNC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000183359 [0,2,0,0,0,0|1,0,1]=4 3574 B14R1.587 CNC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000183359 [0,2,0,0,0,0|1,0,1]=4 3575 B14R1.587 CNC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000183359 [0,2,0,0,0,0|1,0,1]=4 3576 B14R1.587 COC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000747449 [0,2,0,0,0,0|0,0,1]=3 3577 B14R1.587 COC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000747449 [0,2,0,0,0,0|0,0,1]=3 3578 B14R1.587 COC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000747449 [0,2,0,0,0,0|0,0,1]=3 3579 B14R1.587 COC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000747449 [0,2,0,0,0,0|0,0,1]=3 3580 B14R1.587 COC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000747449 [0,2,0,0,0,0|0,0,1]=3 3581 B14R1.587 COC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000747449 [0,2,0,0,0,0|0,0,1]=3 3582 B14R1.587 COC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000747449 [0,2,0,0,0,0|0,0,1]=3 3583 B14R1.587 COC(=O)CN(C)c1ccccc1Br 2230a_100020606079_100000747449 [0,2,0,0,0,0|1,0,1]=4 3584 B14R1.587 COC(=O)CN(C)c1ccccc1Br 269982a_100020606079_100000747449 [0,2,0,0,0,0|1,0,1]=4 3585 B14R1.587 COC(=O)CN(C)c1ccccc1Br 34a_100020606079_100000747449 [0,2,0,0,0,0|1,0,1]=4 3586 B14R1.587 COC(=O)CN(C)c1ccccc1C 2230a_100000219699_100000747449 [0,2,0,0,0,0|1,0,1]=4 3587 B14R1.587 COC(=O)CN(C)c1ccccc1C 269982a_100000219699_100000747449 [0,2,0,0,0,0|1,0,1]=4 3588 B14R1.587 COC(=O)CN(C)c1ccccc1C 34a_100000219699_100000747449 [0,2,0,0,0,0|1,0,1]=4 3589 B14R1.587 COC(=O)CN(C)c1ccccc1Cl 2230a_100000219374_100000747449 [0,2,0,0,0,0|1,0,1]=4 3590 B14R1.587 COC(=O)CN(C)c1ccccc1Cl 269982a_100000219374_100000747449 [0,2,0,0,0,0|1,0,1]=4 3591 B14R1.587 COC(=O)CN(C)c1ccccc1Cl 34a_100000219374_100000747449 [0,2,0,0,0,0|1,0,1]=4 3592 B14R1.587 COC(=O)CN(C)c1ccccc1F 2230a_100000220357_100000747449 [0,2,0,0,0,0|1,0,1]=4 3593 B14R1.587 COC(=O)CN(C)c1ccccc1F 269982a_100000220357_100000747449 [0,2,0,0,0,0|1,0,1]=4 3594 B14R1.587 COC(=O)CN(C)c1ccccc1F 34a_100000220357_100000747449 [0,2,0,0,0,0|1,0,1]=4 3595 B14R1.587 COC(=O)CN(C)c1ccccc1F 38a_100000220357_100000747449 [0,2,0,0,0,0|1,0,1]=4 3596 B14R1.587 COC(=O)CN(C)c1ccccc1O 269982a_100000033821_100000747449 [0,2,0,0,0,0|1,0,1]=4 3597 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 2230a_100000210013_100000747449 [0,2,0,0,0,0|1,0,1]=4 3598 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 2230a_100000757779_100000210202 [0,2,0,0,0,0|1,0,1]=4 3599 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 269982a_100000210013_100000747449 [0,2,0,0,0,0|1,0,1]=4 3600 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 269982a_100000757779_100000204670 [0,2,0,0,0,0|1,0,1]=4 3601 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 34a_100000210013_100000747449 [0,2,0,0,0,0|1,0,1]=4 3602 B14R1.3297 COC(=O)CN(CF)c1ccccc1 269982a_100000757779_100015361967 [0,2,0,0,0,0|1,0,1]=4 3603 B14R1.5 C#Cc1ccc(cc1)NCC(=O)OC 34a_100011215031_100000747449 [0,2,0,0,0,0|1,0,1]=4 3604 B14R1.5 C=Cc1ccc(cc1)/C=C/C(=O)OC 271570a_100011290941_100000148628 [0,2,0,0,0,0|0,0,0]=2 3605 B14R1.5 C=Cc1ccc(cc1)C#CC(=O)OC 271570a_100011290941_100012100070 [0,2,0,0,0,0|0,0,2]=4 3606 B14R1.5 C=Cc1ccc(cc1)CCC(=O)OC 271570a_100011290941_100012357364 [0,2,0,0,0,0|0,0,2]=4 3607 B14R1.5 C=Cc1ccc(cc1)NCC(=O)OC 34a_100011218248_100000747449 [0,2,0,0,0,0|1,0,1]=4 3608 B14R1.5 C=Cc1ccc(cc1)OCC(=O)OC 271570a_100011290941_100000149925 [0,2,0,0,0,0|1,0,1]=4 3609 B14R1.5 C=Cc1ccc(cc1)OCC(=O)OC 34a_100000189437_100000747449 [0,2,0,0,0,0|1,0,1]=4 3610 B14R1.5 C=Cc1ccc(cc1)OCC(=O)OC 7a_100000189437_100000747449 [0,2,0,0,0,0|1,0,1]=4 3611 B14R1.5 C=Cc1ccc(cc1)SCC(=O)OC 62a_100000747449_100000748128 [0,2,0,0,0,0|1,0,1]=4 3612 B14R1.5 C=Cc1ccc(cc1)SCC(=O)OC 62a_100000748128_100000747449 [0,2,0,0,0,0|1,0,1]=4 3613 B14R1.5 CCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100000210202 [0,2,0,0,0,0|1,0,0]=3 3614 B14R1.5 CCC(=O)C=Cc1ccc(cc1)CC 1458a_100000187855_100000210202 [0,2,0,0,0,0|1,0,0]=3 3615 B14R1.5 CCC(=O)C=Cc1ccc(cc1)OC 1458a_100000184205_100000210202 [0,2,0,0,0,0|1,0,0]=3 3616 B14R1.5 CCC(=O)C=Cc1ccc(cc1)SC 1458a_100102526083_100000210202 [0,2,0,0,0,0|1,0,0]=3 3617 B14R1.5 CCc1ccc(cc1)C=CC(=O)CF 1458a_100000187855_100015361967 [0,2,0,0,0,0|2,0,0]=4 3618 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 11a_106832991635_100000187855 [0,2,0,0,0,0|1,0,0]=3 3619 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 1626a_100102657272_100000187855 [0,2,0,0,0,0|1,0,0]=3 3620 B14R1.5 CCc1ccc(cc1)C=CC(=O)NC 240690a_100102657272_100000187855 [0,2,0,0,0,0|1,0,0]=3 3621 B14R1.5 CCc1ccc(cc1)NCC(=O)OC 2230a_100000211069_100000747449 [0,2,0,0,0,0|1,0,1]=4 3622 B14R1.5 CCc1ccc(cc1)NCC(=O)OC 34a_100000211069_100000747449 [0,2,0,0,0,0|1,0,1]=4 3623 B14R1.5 CCc1ccc(cc1)OCC(=O)OC 34a_100000211359_100000747449 [0,2,0,0,0,0|1,0,1]=4 3624 B14R1.5 CCc1ccc(cc1)OCC(=O)OC 7a_100000211359_100000747449 [0,2,0,0,0,0|1,0,1]=4 3625 B14R1.5 CCc1ccc(cc1)SCC(=O)OC 62a_100000747449_100011215824 [0,2,0,0,0,0|1,0,1]=4 3626 B14R1.5 CCc1ccc(cc1)SCC(=O)OC 62a_100011215824_100000747449 [0,2,0,0,0,0|1,0,1]=4 3627 B14R1.5 CNC(=O)C=Cc1ccc(cc1)C#N 11a_106832991635_100000185084 [0,2,0,0,0,0|1,0,0]=3 3628 B14R1.5 CNC(=O)C=Cc1ccc(cc1)C#N 1626a_100102657272_100000185084 [0,2,0,0,0,0|1,0,0]=3 3629 B14R1.5 CNC(=O)C=Cc1ccc(cc1)C#N 240690a_100102657272_100000185084 [0,2,0,0,0,0|1,0,0]=3 3630 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 11a_106832991635_100000184205 [0,2,0,0,0,0|1,0,0]=3 3631 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 1626a_100102657272_100000184205 [0,2,0,0,0,0|1,0,0]=3 3632 B14R1.5 CNC(=O)C=Cc1ccc(cc1)OC 527a_100102657272_100000184205 [0,2,0,0,0,0|1,0,0]=3 3633 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 11a_106832991635_100102526083 [0,2,0,0,0,0|1,0,0]=3 3634 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 1626a_100102657272_100102526083 [0,2,0,0,0,0|1,0,0]=3 3635 B14R1.5 CNC(=O)C=Cc1ccc(cc1)SC 240690a_100102657272_100102526083 [0,2,0,0,0,0|1,0,0]=3 3636 B14R1.5 CNc1ccc(cc1)OCC(=O)OC 34a_100000182112_100000747449 [0,2,0,0,0,0|1,0,1]=4 3637 B14R1.5 CNc1ccc(cc1)SCC(=O)OC 62a_100000743151_100000747449 [0,2,0,0,0,0|1,0,1]=4 3638 B14R1.5 CNc1ccc(cc1)SCC(=O)OC 62a_100000747449_100000743151 [0,2,0,0,0,0|1,0,1]=4 3639 B14R1.5 COC(=O)/C=C/c1ccc(cc1)SC 62a_100000148628_200000210301 [0,2,0,0,0,0|0,0,0]=2 3640 B14R1.5 COC(=O)/C=C/c1ccc(cc1)SC 62a_200000210301_100000148628 [0,2,0,0,0,0|0,0,0]=2 3641 B14R1.5 COC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_100000148628_200025704644 [0,2,0,0,0,0|0,0,0]=2 3642 B14R1.5 COC(=O)/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100000148628 [0,2,0,0,0,0|0,0,0]=2 3643 B14R1.5 COC(=O)C#Cc1ccc(cc1)SC 62a_200000210301_100012100070 [0,2,0,0,0,0|0,0,2]=4 3644 B14R1.5 COC(=O)C#Cc1ccc(cc1)S[13CH3] 62a_200025704644_100012100070 [0,2,0,0,0,0|0,0,2]=4 3645 B14R1.5 COC(=O)C=Cc1ccc(cc1)OC 34a_100000151162_200000210301 [0,2,0,0,0,0|0,0,0]=2 3646 B14R1.5 COC(=O)C=Cc1ccc(cc1)O[13CH3] 34a_100000151162_200025704644 [0,2,0,0,0,0|0,0,0]=2 3647 B14R1.5 COC(=O)CCc1ccc(cc1)OC 34a_100000032826_200000210301 [0,2,0,0,0,0|0,0,2]=4 3648 B14R1.5 COC(=O)CCc1ccc(cc1)OC 7a_100000032826_200000210301 [0,2,0,0,0,0|0,0,2]=4 3649 B14R1.5 COC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000032826_200025704644 [0,2,0,0,0,0|0,0,2]=4 3650 B14R1.5 COC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000032826_200025704644 [0,2,0,0,0,0|0,0,2]=4 3651 B14R1.5 COC(=O)CCc1ccc(cc1)SC 62a_100012357364_200000210301 [0,2,0,0,0,0|0,0,2]=4 3652 B14R1.5 COC(=O)CCc1ccc(cc1)SC 62a_200000210301_100012357364 [0,2,0,0,0,0|0,0,2]=4 3653 B14R1.5 COC(=O)CCc1ccc(cc1)S[13CH3] 62a_100012357364_200025704644 [0,2,0,0,0,0|0,0,2]=4 3654 B14R1.5 COC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_100012357364 [0,2,0,0,0,0|0,0,2]=4 3655 B14R1.5 COC(=O)CNc1ccc(cc1)C#N 34a_100000185469_100000747449 [0,2,0,0,0,0|1,0,1]=4 3656 B14R1.5 COC(=O)CNc1ccc(cc1)CO 2230a_100011215238_100000747449 [0,2,0,0,0,0|1,0,1]=4 3657 B14R1.5 COC(=O)CNc1ccc(cc1)CO 34a_100011215238_100000747449 [0,2,0,0,0,0|1,0,1]=4 3658 B14R1.5 COC(=O)CNc1ccc(cc1)OC 34a_100000184247_100000747449 [0,2,0,0,0,0|1,0,1]=4 3659 B14R1.5 COC(=O)CNc1ccc(cc1)OC 34a_100016989482_200000210301 [0,2,0,0,0,0|1,0,1]=4 3660 B14R1.5 COC(=O)CNc1ccc(cc1)O[13CH3] 34a_100016989482_200025704644 [0,2,0,0,0,0|1,0,1]=4 3661 B14R1.5 COC(=O)CNc1ccc(cc1)SC 34a_100000212337_100000747449 [0,2,0,0,0,0|1,0,1]=4 3662 B14R1.5 COC(=O)COc1ccc(cc1)C#N 34a_100000210344_100000747449 [0,2,0,0,0,0|1,0,1]=4 3663 B14R1.5 COC(=O)COc1ccc(cc1)C#N 7a_100000210344_100000747449 [0,2,0,0,0,0|1,0,1]=4 3664 B14R1.5 COC(=O)COc1ccc(cc1)CN 34a_100000185549_100000747449 [0,2,0,0,0,0|1,0,1]=4 3665 B14R1.5 COC(=O)COc1ccc(cc1)CO 34a_100000211755_100000747449 [0,2,0,0,0,0|1,0,1]=4 3666 B14R1.5 COC(=O)COc1ccc(cc1)OC 34a_100000210503_100000747449 [0,2,0,0,0,0|1,0,1]=4 3667 B14R1.5 COC(=O)COc1ccc(cc1)SC 34a_100000211864_100000747449 [0,2,0,0,0,0|1,0,1]=4 3668 B14R1.5 COC(=O)COc1ccc(cc1)SC 62a_100000149925_200000210301 [0,2,0,0,0,0|1,0,1]=4 3669 B14R1.5 COC(=O)COc1ccc(cc1)SC 62a_200000210301_100000149925 [0,2,0,0,0,0|1,0,1]=4 3670 B14R1.5 COC(=O)COc1ccc(cc1)S[13CH3] 62a_100000149925_200025704644 [0,2,0,0,0,0|1,0,1]=4 3671 B14R1.5 COC(=O)COc1ccc(cc1)S[13CH3] 62a_200025704644_100000149925 [0,2,0,0,0,0|1,0,1]=4 3672 B14R1.5 COC(=O)CSc1ccc(cc1)C#N 62a_100000747449_100000184291 [0,2,0,0,0,0|1,0,1]=4 3673 B14R1.5 COC(=O)CSc1ccc(cc1)C=O 62a_100000188517_100000747449 [0,2,0,0,0,0|1,0,1]=4 3674 B14R1.5 COC(=O)CSc1ccc(cc1)C=O 62a_100000747449_100000188517 [0,2,0,0,0,0|1,0,1]=4 3675 B14R1.5 COC(=O)CSc1ccc(cc1)CF 62a_100000747449_100010268989 [0,2,0,0,0,0|1,0,1]=4 3676 B14R1.5 COC(=O)CSc1ccc(cc1)CF 62a_100010268989_100000747449 [0,2,0,0,0,0|1,0,1]=4 3677 B14R1.5 COC(=O)CSc1ccc(cc1)CN 62a_100000747449_100016989417 [0,2,0,0,0,0|1,0,1]=4 3678 B14R1.5 COC(=O)CSc1ccc(cc1)CN 62a_100016989417_100000747449 [0,2,0,0,0,0|1,0,1]=4 3679 B14R1.5 COC(=O)CSc1ccc(cc1)CO 62a_100000690907_100000747449 [0,2,0,0,0,0|1,0,1]=4 3680 B14R1.5 COC(=O)CSc1ccc(cc1)CO 62a_100000747449_100000690907 [0,2,0,0,0,0|1,0,1]=4 3681 B14R1.5 COC(=O)CSc1ccc(cc1)NN 62a_100000747449_100016988836 [0,2,0,0,0,0|1,0,1]=4 3682 B14R1.5 COC(=O)CSc1ccc(cc1)NN 62a_100016988836_100000747449 [0,2,0,0,0,0|1,0,1]=4 3683 B14R1.5 COC(=O)CSc1ccc(cc1)OC 62a_100000747449_100000171711 [0,2,0,0,0,0|1,0,1]=4 3684 B14R1.5 COC(=O)CSc1ccc(cc1)SC 62a_100000747449_100011263217 [0,2,0,0,0,0|1,0,1]=4 3685 B14R1.5 COC(=O)CSc1ccc(cc1)SC 62a_100011263217_100000747449 [0,2,0,0,0,0|1,0,1]=4 3686 B14R1.5 COc1ccc(cc1)C=CC(=O)CF 1458a_100000184205_100015361967 [0,2,0,0,0,0|2,0,0]=4 3687 B14R1.5 CSc1ccc(cc1)C=CC(=O)CF 1458a_100102526083_100015361967 [0,2,0,0,0,0|2,0,0]=4 3688 B14R1.5 N#Cc1ccc(cc1)C=CC(=O)CF 1458a_100000185084_100015361967 [0,2,0,0,0,0|2,0,0]=4 3689 B14R1.134 C/C(=C\c1ccc(cc1)F)/C(=O)CF 1458a_100053117043_100015361967 [0,2,0,0,0,0|2,0,0]=4 3690 B14R1.134 CCC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_100000210202 [0,2,0,0,0,0|1,0,0]=3 3691 B14R1.134 CCC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_100000210202 [0,2,0,0,0,0|2,0,0]=4 3692 B14R1.134 CNC(=O)/C(=C/c1ccc(cc1)F)/C 11a_106832991635_100053117043 [0,2,0,0,0,0|1,0,0]=3 3693 B14R1.134 CNC(=O)/C(=C/c1ccc(cc1)F)/C 1626a_100102657272_100053117043 [0,2,0,0,0,0|1,0,0]=3 3694 B14R1.134 CNC(=O)/C(=C/c1ccc(cc1)F)/C 240690a_100102657272_100053117043 [0,2,0,0,0,0|1,0,0]=3 3695 B14R1.134 CNC(=O)/C(=C/c1ccc(cc1)F)/C 527a_100102657272_100053117043 [0,2,0,0,0,0|1,0,0]=3 3696 B14R1.134 CNC(=O)C(=O)Cc1ccc(cc1)Br 1458a_100011218921_100000189115 [0,2,0,0,0,0|1,0,1]=4 3697 B14R1.134 CNC(=O)C(=O)Cc1ccc(cc1)C 1458a_100011218921_100000210814 [0,2,0,0,0,0|1,0,1]=4 3698 B14R1.134 CNC(=O)C(=O)Cc1ccc(cc1)Cl 1458a_100011218921_100000694040 [0,2,0,0,0,0|1,0,1]=4 3699 B14R1.134 CNC(=O)C(=O)Cc1ccc(cc1)F 1458a_100011218921_100000198546 [0,2,0,0,0,0|1,0,1]=4 3700 B14R1.134 CNC(=O)C(=O)Cc1ccc(cc1)I 1458a_100011218921_100000189116 [0,2,0,0,0,0|1,0,1]=4 3701 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100011218921 [0,2,0,0,0,0|2,0,0]=4 3702 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100011218921 [0,2,0,0,0,0|2,0,0]=4 3703 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Br 527a_100000210018_100011218921 [0,2,0,0,0,0|2,0,0]=4 3704 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100011218921 [0,2,0,0,0,0|2,0,0]=4 3705 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)C 1626a_100102657272_100000189662 [0,2,0,0,0,0|2,0,0]=4 3706 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)C 22a_100000124888_100011218921 [0,2,0,0,0,0|2,0,0]=4 3707 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)C 240690a_100102657272_100000189662 [0,2,0,0,0,0|2,0,0]=4 3708 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)C 527a_100000124888_100011218921 [0,2,0,0,0,0|2,0,0]=4 3709 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100011218921 [0,2,0,0,0,0|2,0,0]=4 3710 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100102657272_100000199041 [0,2,0,0,0,0|2,0,0]=4 3711 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011218921 [0,2,0,0,0,0|2,0,0]=4 3712 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Cl 240690a_100102657272_100000199041 [0,2,0,0,0,0|2,0,0]=4 3713 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)Cl 527a_100000210052_100011218921 [0,2,0,0,0,0|2,0,0]=4 3714 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100011218921 [0,2,0,0,0,0|2,0,0]=4 3715 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)F 1626a_100102657272_100011297306 [0,2,0,0,0,0|2,0,0]=4 3716 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)F 22a_100000185862_100011218921 [0,2,0,0,0,0|2,0,0]=4 3717 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)F 240690a_100102657272_100011297306 [0,2,0,0,0,0|2,0,0]=4 3718 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)F 527a_100000185862_100011218921 [0,2,0,0,0,0|2,0,0]=4 3719 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100011218921 [0,2,0,0,0,0|2,0,0]=4 3720 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100011218921 [0,2,0,0,0,0|2,0,0]=4 3721 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)I 527a_100000185761_100011218921 [0,2,0,0,0,0|2,0,0]=4 3722 B14R1.134 CNC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100011218921 [0,2,0,0,0,0|2,0,0]=4 3723 B14R1.134 CNC(=O)C(=O)Sc1ccc(cc1)C 11a_106832991635_100009913200 [0,2,0,0,0,0|2,0,0]=4 3724 B14R1.134 CNC(=O)C(=O)Sc1ccc(cc1)C 1626a_100102657272_100009913200 [0,2,0,0,0,0|2,0,0]=4 3725 B14R1.134 CNC(=O)C(=O)Sc1ccc(cc1)C 240690a_100102657272_100009913200 [0,2,0,0,0,0|2,0,0]=4 3726 B14R1.134 CNC(=O)C(=O)Sc1ccc(cc1)C 527a_100102657272_100009913200 [0,2,0,0,0,0|2,0,0]=4 3727 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000024059 [0,2,0,0,0,0|1,0,0]=3 3728 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000024059 [0,2,0,0,0,0|1,0,0]=3 3729 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Br 527a_100000210018_100000024059 [0,2,0,0,0,0|1,0,0]=3 3730 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000024059 [0,2,0,0,0,0|1,0,0]=3 3731 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000024059 [0,2,0,0,0,0|1,0,0]=3 3732 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)C 527a_100000124888_100000024059 [0,2,0,0,0,0|1,0,0]=3 3733 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000024059 [0,2,0,0,0,0|1,0,0]=3 3734 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000024059 [0,2,0,0,0,0|1,0,0]=3 3735 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000024059 [0,2,0,0,0,0|1,0,0]=3 3736 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000024059 [0,2,0,0,0,0|1,0,0]=3 3737 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000024059 [0,2,0,0,0,0|1,0,0]=3 3738 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)F 527a_100000185862_100000024059 [0,2,0,0,0,0|1,0,0]=3 3739 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000024059 [0,2,0,0,0,0|1,0,0]=3 3740 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000024059 [0,2,0,0,0,0|1,0,0]=3 3741 B14R1.134 COC(=O)C(=O)Nc1ccc(cc1)I 527a_100000185761_100000024059 [0,2,0,0,0,0|1,0,0]=3 3742 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100000211248 [0,2,0,0,0,0|1,0,1]=4 3743 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Br 34a_100000210018_100000211248 [0,2,0,0,0,0|1,0,1]=4 3744 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)C 34a_100000124888_100000211248 [0,2,0,0,0,0|1,0,1]=4 3745 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000211248 [0,2,0,0,0,0|1,0,1]=4 3746 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)Cl 34a_100000210052_100000211248 [0,2,0,0,0,0|1,0,1]=4 3747 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)F 34a_100000185862_100000211248 [0,2,0,0,0,0|1,0,1]=4 3748 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)I 34a_100000185761_100000211248 [0,2,0,0,0,0|1,0,1]=4 3749 B14R1.134 COC(=O)C(C)Nc1ccc(cc1)O 34a_100000185829_100000211248 [0,2,0,0,0,0|1,0,1]=4 3750 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Br 34a_100000185759_100000211248 [0,2,0,0,0,0|1,0,1]=4 3751 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100000211248 [0,2,0,0,0,0|1,0,1]=4 3752 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)C 34a_100000210336_100000211248 [0,2,0,0,0,0|1,0,1]=4 3753 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100000211248 [0,2,0,0,0,0|1,0,1]=4 3754 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Cl 34a_100000210216_100000211248 [0,2,0,0,0,0|1,0,1]=4 3755 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000211248 [0,2,0,0,0,0|1,0,1]=4 3756 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)F 34a_100000210339_100000211248 [0,2,0,0,0,0|1,0,1]=4 3757 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)I 34a_100000212066_100000211248 [0,2,0,0,0,0|1,0,1]=4 3758 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000211248 [0,2,0,0,0,0|1,0,1]=4 3759 B14R1.134 COC(=O)C(C)Oc1ccc(cc1)N 34a_100000185829_100000211248 [0,2,0,0,0,0|1,0,1]=4 3760 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Br 62a_100000211248_100000752885 [0,2,0,0,0,0|1,0,1]=4 3761 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100000211248 [0,2,0,0,0,0|1,0,1]=4 3762 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100000211248 [0,2,0,0,0,0|1,0,1]=4 3763 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)C 62a_100000211248_100000186775 [0,2,0,0,0,0|1,0,1]=4 3764 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000211248_100000755918 [0,2,0,0,0,0|1,0,1]=4 3765 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100000211248 [0,2,0,0,0,0|1,0,1]=4 3766 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100000211248 [0,2,0,0,0,0|1,0,1]=4 3767 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)F 62a_100000211248_100000211213 [0,2,0,0,0,0|1,0,1]=4 3768 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100000211248 [0,2,0,0,0,0|1,0,1]=4 3769 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)N 62a_100000211248_100000185761 [0,2,0,0,0,0|1,0,1]=4 3770 B14R1.134 COC(=O)C(C)Sc1ccc(cc1)O 62a_100000211248_100000185759 [0,2,0,0,0,0|1,0,1]=4 3771 B14R1.134 COC(=O)[C@@H](N)Cc1ccc(cc1)O 271570a_203496583355_100032004906 [0,2,0,0,0,0|0,0,2]=4 3772 B14R1.134 COC(=O)[C@H](N)Cc1ccc(cc1)O 271570a_203496583355_100150708851 [0,2,0,0,0,0|0,0,2]=4 3773 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000184674 [0,2,0,0,0,0|1,0,1]=4 3774 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000184674 [0,2,0,0,0,0|1,0,1]=4 3775 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000184674 [0,2,0,0,0,0|1,0,1]=4 3776 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000184674 [0,2,0,0,0,0|1,0,1]=4 3777 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000184674 [0,2,0,0,0,0|1,0,1]=4 3778 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210623 [0,2,0,0,0,0|1,0,1]=4 3779 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210623 [0,2,0,0,0,0|1,0,1]=4 3780 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210623 [0,2,0,0,0,0|1,0,1]=4 3781 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210623 [0,2,0,0,0,0|1,0,1]=4 3782 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210623 [0,2,0,0,0,0|1,0,1]=4 3783 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210303 [0,2,0,0,0,0|1,0,0]=3 3784 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011215381 [0,2,0,0,0,0|1,0,0]=3 3785 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210303 [0,2,0,0,0,0|1,0,0]=3 3786 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210303 [0,2,0,0,0,0|1,0,0]=3 3787 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210303 [0,2,0,0,0,0|1,0,0]=3 3788 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011215381 [0,2,0,0,0,0|1,0,0]=3 3789 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210303 [0,2,0,0,0,0|1,0,0]=3 3790 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011215381 [0,2,0,0,0,0|1,0,0]=3 3791 B14R1.502 CCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100011215381 [0,2,0,0,0,0|2,0,0]=4 3792 B14R1.502 CCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210303 [0,2,0,0,0,0|2,0,0]=4 3793 B14R1.502 CCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100011215381 [0,2,0,0,0,0|2,0,0]=4 3794 B14R1.502 CCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210303 [0,2,0,0,0,0|2,0,0]=4 3795 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Br 11a_100015525214_100016267368 [0,2,0,0,0,0|1,0,0]=3 3796 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C 11a_100015525214_100000716854 [0,2,0,0,0,0|1,0,0]=3 3797 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C 240690a_100015525214_100000716854 [0,2,0,0,0,0|1,0,0]=3 3798 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100015525214_100000184863 [0,2,0,0,0,0|1,0,0]=3 3799 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100015525214_100000184863 [0,2,0,0,0,0|1,0,0]=3 3800 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F 11a_100015525214_100000182136 [0,2,0,0,0,0|1,0,0]=3 3801 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F 240690a_100015525214_100000182136 [0,2,0,0,0,0|1,0,0]=3 3802 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)I 11a_100015525214_100102526154 [0,2,0,0,0,0|1,0,0]=3 3803 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)I 240690a_100015525214_100102526154 [0,2,0,0,0,0|1,0,0]=3 3804 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)O 240690a_100015525214_100016269017 [0,2,0,0,0,0|1,0,0]=3 3805 B14R1.502 CCNC(=O)C=Cc1ccc(cn1)F 11a_100015525214_100020630499 [0,2,0,0,0,0|2,0,0]=4 3806 B14R1.502 CCNC(=O)C=Cc1ccc(cn1)F 240690a_100015525214_100020630499 [0,2,0,0,0,0|2,0,0]=4 3807 B14R1.502 CCNC(=O)C=Cc1ccc(nc1)Br 11a_100015525214_100020588214 [0,2,0,0,0,0|2,0,0]=4 3808 B14R1.502 CCNC(=O)C=Cc1ccc(nc1)Br 240690a_100015525214_100020588214 [0,2,0,0,0,0|2,0,0]=4 3809 B14R1.502 CCOC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100016304033 [0,2,0,0,0,0|0,0,0]=2 3810 B14R1.502 CCOC(=O)C=Cc1cc[n+](cc1)[O-] 271570a_100010199719_100000039755 [0,2,0,0,0,0|1,0,0]=3 3811 B14R1.502 CCOC(=O)C=Cc1ccc(=O)[nH]c1 271570a_100010199719_100000212171 [0,2,0,0,0,0|1,0,0]=3 3812 B14R1.502 CCOC(=O)C=Cc1ccc(=O)[nH]n1 271570a_100010199719_100009820020 [0,2,0,0,0,0|2,0,0]=4 3813 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Br 271570a_100010199719_100000752885 [0,2,0,0,0,0|0,0,0]=2 3814 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)C 271570a_100010199719_100000186775 [0,2,0,0,0,0|0,0,0]=2 3815 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Cl 271570a_100010199719_100000755918 [0,2,0,0,0,0|0,0,0]=2 3816 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)F 271570a_100010199719_100000211213 [0,2,0,0,0,0|0,0,0]=2 3817 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)N 271570a_100010199719_100000185761 [0,2,0,0,0,0|0,0,0]=2 3818 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)O 271570a_100010199719_100000185759 [0,2,0,0,0,0|0,0,0]=2 3819 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)Br 271570a_100010199719_100000686858 [0,2,0,0,0,0|1,0,0]=3 3820 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)C 271570a_100010199719_100000754016 [0,2,0,0,0,0|1,0,0]=3 3821 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)Cl 271570a_100010199719_100011356976 [0,2,0,0,0,0|1,0,0]=3 3822 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)F 271570a_100010199719_100000744514 [0,2,0,0,0,0|1,0,0]=3 3823 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)N 271570a_100010199719_100000744251 [0,2,0,0,0,0|1,0,0]=3 3824 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)O 271570a_100010199719_100000685995 [0,2,0,0,0,0|1,0,0]=3 3825 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Br 271570a_100010199719_100009814638 [0,2,0,0,0,0|1,0,0]=3 3826 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)C 271570a_100010199719_100000751577 [0,2,0,0,0,0|1,0,0]=3 3827 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Cl 271570a_100010199719_100000034144 [0,2,0,0,0,0|1,0,0]=3 3828 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)F 271570a_100010199719_100000748661 [0,2,0,0,0,0|1,0,0]=3 3829 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)N 271570a_100010199719_100000187370 [0,2,0,0,0,0|1,0,0]=3 3830 B14R1.502 CCOC(=O)C=Cc1ccc(nn1)C 271570a_100010199719_100011450037 [0,2,0,0,0,0|2,0,0]=4 3831 B14R1.502 CCOC(=O)C=Cc1ccc(nn1)N 271570a_100010199719_100009816609 [0,2,0,0,0,0|2,0,0]=4 3832 B14R1.502 CCOC(=O)C=Cc1cnc(=O)[nH]c1 271570a_100010199719_102495366499 [0,2,0,0,0,0|2,0,0]=4 3833 B14R1.502 CCOC(=O)C=Cc1cnc(cn1)C 271570a_100010199719_100011999403 [0,2,0,0,0,0|2,0,0]=4 3834 B14R1.502 CCOC(=O)C=Cc1cnc(cn1)F 271570a_100010199719_100009856528 [0,2,0,0,0,0|2,0,0]=4 3835 B14R1.502 CCOC(=O)C=Cc1cnc(cn1)N 271570a_100010199719_100000761932 [0,2,0,0,0,0|2,0,0]=4 3836 B14R1.502 CCOC(=O)C=Cc1cnc(nc1)Br 271570a_100010199719_200012349914 [0,2,0,0,0,0|2,0,0]=4 3837 B14R1.502 CCOC(=O)C=Cc1cnc(nc1)C 271570a_100010199719_100000686985 [0,2,0,0,0,0|2,0,0]=4 3838 B14R1.502 CCOC(=O)C=Cc1cnc(nc1)F 271570a_100010199719_100000685262 [0,2,0,0,0,0|2,0,0]=4 3839 B14R1.502 CCOC(=O)C=Cc1cnc(nc1)N 271570a_100010199719_100000760574 [0,2,0,0,0,0|2,0,0]=4 3840 B14R1.502 CCOC(=O)C=Cc1ncc(cn1)Br 271570a_100010199719_100000690281 [0,2,0,0,0,0|2,0,0]=4 3841 B14R1.502 CCOC(=O)C=Cc1ncc(cn1)C 271570a_100010199719_100011825175 [0,2,0,0,0,0|2,0,0]=4 3842 B14R1.502 CCOC(=O)C=Cc1ncc(cn1)Cl 271570a_100010199719_100011356929 [0,2,0,0,0,0|2,0,0]=4 3843 B14R1.502 CCOC(=O)C=Cc1ncc(cn1)F 271570a_100010199719_100000685220 [0,2,0,0,0,0|2,0,0]=4 3844 B14R1.502 CCOC(=O)C=Cc1ncc(cn1)N 271570a_100010199719_100000068403 [0,2,0,0,0,0|2,0,0]=4 3845 B14R1.502 CCOC(=O)C=Cc1ncc(cn1)O 271570a_100010199719_100000730009 [0,2,0,0,0,0|2,0,0]=4 3846 B14R1.502 CCOC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012353604 [0,2,0,0,0,0|0,0,2]=4 3847 B14R1.502 CCOC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000188475 [0,2,0,0,0,0|1,0,1]=4 3848 B14R1.502 CCOC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000188475 [0,2,0,0,0,0|1,0,1]=4 3849 B14R1.502 CCOC(=O)CNc1ccc(cc1)C 34a_100000124888_100000188475 [0,2,0,0,0,0|1,0,1]=4 3850 B14R1.502 CCOC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000188475 [0,2,0,0,0,0|1,0,1]=4 3851 B14R1.502 CCOC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000188475 [0,2,0,0,0,0|1,0,1]=4 3852 B14R1.502 CCOC(=O)CNc1ccc(cc1)F 34a_100000185862_100000188475 [0,2,0,0,0,0|1,0,1]=4 3853 B14R1.502 CCOC(=O)CNc1ccc(cc1)I 34a_100000185761_100000188475 [0,2,0,0,0,0|1,0,1]=4 3854 B14R1.502 CCOC(=O)CNc1ccc(cc1)O 271570a_203496583355_200000220479 [0,2,0,0,0,0|1,0,1]=4 3855 B14R1.502 CCOC(=O)CNc1ccc(cc1)O 34a_100000185829_100000188475 [0,2,0,0,0,0|1,0,1]=4 3856 B14R1.502 CCOC(=O)COc1ccc(cc1)Br 34a_100000185759_100000188475 [0,2,0,0,0,0|1,0,1]=4 3857 B14R1.502 CCOC(=O)COc1ccc(cc1)Br 7a_100000185759_100000188475 [0,2,0,0,0,0|1,0,1]=4 3858 B14R1.502 CCOC(=O)COc1ccc(cc1)C 34a_100000210336_100000188475 [0,2,0,0,0,0|1,0,1]=4 3859 B14R1.502 CCOC(=O)COc1ccc(cc1)C 7a_100000210336_100000188475 [0,2,0,0,0,0|1,0,1]=4 3860 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000188475 [0,2,0,0,0,0|1,0,1]=4 3861 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000188475 [0,2,0,0,0,0|1,0,1]=4 3862 B14R1.502 CCOC(=O)COc1ccc(cc1)F 34a_100000210339_100000188475 [0,2,0,0,0,0|1,0,1]=4 3863 B14R1.502 CCOC(=O)COc1ccc(cc1)I 34a_100000212066_100000188475 [0,2,0,0,0,0|1,0,1]=4 3864 B14R1.502 CCOC(=O)COc1ccc(cc1)I 7a_100000212066_100000188475 [0,2,0,0,0,0|1,0,1]=4 3865 B14R1.502 CCOC(=O)COc1ccc(cc1)N 34a_100000185829_100000188475 [0,2,0,0,0,0|1,0,1]=4 3866 B14R1.502 CCOC(=O)COc1ccc(cc1)O 271570a_203496583355_100000170664 [0,2,0,0,0,0|1,0,1]=4 3867 B14R1.502 CCOC(=O)CSc1ccc(cc1)Br 62a_100000188475_100000752885 [0,2,0,0,0,0|1,0,1]=4 3868 B14R1.502 CCOC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000188475 [0,2,0,0,0,0|1,0,1]=4 3869 B14R1.502 CCOC(=O)CSc1ccc(cc1)C 62a_100000186775_100000188475 [0,2,0,0,0,0|1,0,1]=4 3870 B14R1.502 CCOC(=O)CSc1ccc(cc1)C 62a_100000188475_100000186775 [0,2,0,0,0,0|1,0,1]=4 3871 B14R1.502 CCOC(=O)CSc1ccc(cc1)Cl 62a_100000188475_100000755918 [0,2,0,0,0,0|1,0,1]=4 3872 B14R1.502 CCOC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000188475 [0,2,0,0,0,0|1,0,1]=4 3873 B14R1.502 CCOC(=O)CSc1ccc(cc1)F 62a_100000188475_100000211213 [0,2,0,0,0,0|1,0,1]=4 3874 B14R1.502 CCOC(=O)CSc1ccc(cc1)F 62a_100000211213_100000188475 [0,2,0,0,0,0|1,0,1]=4 3875 B14R1.502 CCOC(=O)CSc1ccc(cc1)N 62a_100000185761_100000188475 [0,2,0,0,0,0|1,0,1]=4 3876 B14R1.502 CCOC(=O)CSc1ccc(cc1)N 62a_100000188475_100000185761 [0,2,0,0,0,0|1,0,1]=4 3877 B14R1.502 CCOC(=O)CSc1ccc(cc1)O 62a_100000188475_100000185759 [0,2,0,0,0,0|1,0,1]=4 3878 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)Br 22a_100016993582_100016267368 [0,2,0,0,0,0|1,0,0]=3 3879 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)C 22a_100016993582_100000716854 [0,2,0,0,0,0|1,0,0]=3 3880 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)Cl 22a_100016993582_100000184863 [0,2,0,0,0,0|1,0,0]=3 3881 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)F 22a_100016993582_100000182136 [0,2,0,0,0,0|1,0,0]=3 3882 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)I 22a_100016993582_100102526154 [0,2,0,0,0,0|1,0,0]=3 3883 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)O 22a_100016993582_100016269017 [0,2,0,0,0,0|1,0,0]=3 3884 B14R1.502 CNNC(=O)C=Cc1ccc(cn1)F 22a_100016993582_100020630499 [0,2,0,0,0,0|2,0,0]=4 3885 B14R1.502 CNNC(=O)C=Cc1ccc(nc1)Br 22a_100016993582_100020588214 [0,2,0,0,0,0|2,0,0]=4 3886 B14R1.502 COCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000211753 [0,2,0,0,0,0|0,0,0]=2 3887 B14R1.502 COCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000211753 [0,2,0,0,0,0|0,0,0]=2 3888 B14R1.502 COCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000211753 [0,2,0,0,0,0|0,0,0]=2 3889 B14R1.502 COCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000211753 [0,2,0,0,0,0|1,0,0]=3 3890 B14R1.502 COCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000211753 [0,2,0,0,0,0|1,0,0]=3 3891 B14R1.502 COCC(=O)C=Cc1cnc(cn1)C 6a_100000685221_100000211753 [0,2,0,0,0,0|2,0,0]=4 3892 B14R1.502 COCC(=O)C=Cc1cnc(cn1)Cl 6a_100012001714_100000211753 [0,2,0,0,0,0|2,0,0]=4 3893 B14R1.502 COCC(=O)C=Cc1cnc(nc1)C 6a_100011202771_100000211753 [0,2,0,0,0,0|2,0,0]=4 3894 B14R1.502 COCC(=O)CCc1ccc(cc1)Br 1458a_100000210968_100011740612 [0,2,0,0,0,0|0,0,2]=4 3895 B14R1.502 COCC(=O)CCc1ccc(cc1)C 1458a_100000210968_100011713686 [0,2,0,0,0,0|0,0,2]=4 3896 B14R1.502 COCC(=O)CCc1ccc(cc1)Cl 1458a_100000210968_100011713675 [0,2,0,0,0,0|0,0,2]=4 3897 B14R1.502 COCC(=O)CCc1ccc(cc1)F 1458a_100000210968_100011217392 [0,2,0,0,0,0|0,0,2]=4 3898 B14R1.502 COCC(=O)CCc1ccc(cc1)O 1458a_100000210968_100009816426 [0,2,0,0,0,0|0,0,2]=4 3899 B14R1.502 COCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000210968 [0,2,0,0,0,0|1,0,1]=4 3900 B14R1.502 COCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000210968 [0,2,0,0,0,0|1,0,1]=4 3901 B14R1.502 COCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000210968 [0,2,0,0,0,0|1,0,1]=4 3902 B14R1.502 COCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000210968 [0,2,0,0,0,0|1,0,1]=4 3903 B14R1.502 COCC(=O)NCc1ccc(cc1)C 11a_100000174908_100000210968 [0,2,0,0,0,0|1,0,1]=4 3904 B14R1.502 COCC(=O)NCc1ccc(cc1)C 1626a_100000174908_100000210968 [0,2,0,0,0,0|1,0,1]=4 3905 B14R1.502 COCC(=O)NCc1ccc(cc1)C 240690a_100000174908_100000210968 [0,2,0,0,0,0|1,0,1]=4 3906 B14R1.502 COCC(=O)NCc1ccc(cc1)C 34a_100138415774_100000183211 [0,2,0,0,0,0|1,0,1]=4 3907 B14R1.502 COCC(=O)NCc1ccc(cc1)C 527a_100000174908_100000210968 [0,2,0,0,0,0|1,0,1]=4 3908 B14R1.502 COCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000210968 [0,2,0,0,0,0|1,0,1]=4 3909 B14R1.502 COCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000210968 [0,2,0,0,0,0|1,0,1]=4 3910 B14R1.502 COCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000210968 [0,2,0,0,0,0|1,0,1]=4 3911 B14R1.502 COCC(=O)NCc1ccc(cc1)Cl 34a_100138415774_100000183476 [0,2,0,0,0,0|1,0,1]=4 3912 B14R1.502 COCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100000210968 [0,2,0,0,0,0|1,0,1]=4 3913 B14R1.502 COCC(=O)NCc1ccc(cc1)F 11a_100000174882_100000210968 [0,2,0,0,0,0|1,0,1]=4 3914 B14R1.502 COCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000210968 [0,2,0,0,0,0|1,0,1]=4 3915 B14R1.502 COCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100000210968 [0,2,0,0,0,0|1,0,1]=4 3916 B14R1.502 COCC(=O)NCc1ccc(cc1)F 34a_100138415774_100000182461 [0,2,0,0,0,0|1,0,1]=4 3917 B14R1.502 COCC(=O)NCc1ccc(cc1)F 527a_100000174882_100000210968 [0,2,0,0,0,0|1,0,1]=4 3918 B14R1.502 COCC(=O)NCc1ccc(cc1)I 11a_100016989417_100000210968 [0,2,0,0,0,0|1,0,1]=4 3919 B14R1.502 COCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000210968 [0,2,0,0,0,0|1,0,1]=4 3920 B14R1.502 COCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000210968 [0,2,0,0,0,0|1,0,1]=4 3921 B14R1.502 COCC(=O)NCc1ccc(cc1)I 527a_100016989417_100000210968 [0,2,0,0,0,0|1,0,1]=4 3922 B14R1.502 COCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000210968 [0,2,0,0,0,0|1,0,1]=4 3923 B14R1.502 COCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000210968 [0,2,0,0,0,0|1,0,1]=4 3924 B14R1.502 COCC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000210968 [0,2,0,0,0,0|2,0,0]=4 3925 B14R1.502 COCC(=O)NNc1ccc(cc1)C 22a_100000683527_100000210968 [0,2,0,0,0,0|2,0,0]=4 3926 B14R1.502 COCC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000210968 [0,2,0,0,0,0|2,0,0]=4 3927 B14R1.502 COCC(=O)NNc1ccc(cc1)F 22a_100000728448_100000210968 [0,2,0,0,0,0|2,0,0]=4 3928 B14R1.502 COCC(=O)NNc1ccc(cc1)I 22a_100016988836_100000210968 [0,2,0,0,0,0|2,0,0]=4 3929 B14R1.502 CSCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011216314 [0,2,0,0,0,0|0,1,0]=3 3930 B14R1.502 CSCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011216314 [0,2,0,0,0,0|0,1,0]=3 3931 B14R1.502 CSCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011216314 [0,2,0,0,0,0|0,1,0]=3 3932 B14R1.502 CSCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100011216314 [0,2,0,0,0,0|1,1,0]=4 3933 B14R1.502 CSCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100011216314 [0,2,0,0,0,0|1,1,0]=4 3934 B14R1.502 Cc1ccc(cc1)C=CC(=O)CC#N 1458a_100000716854_100011214920 [0,2,0,0,0,0|1,0,1]=4 3935 B14R1.502 Cc1ccc(cc1)C=CC(=O)CCF 1458a_100000716854_100011217306 [0,2,0,0,0,0|1,0,0]=3 3936 B14R1.502 Cc1ccc(cc1)C=CC(=O)CCO 1458a_100000716854_100000211926 [0,2,0,0,0,0|1,0,0]=3 3937 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011214920 [0,2,0,0,0,0|1,0,1]=4 3938 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000184835 [0,2,0,0,0,0|1,0,1]=4 3939 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011214920 [0,2,0,0,0,0|1,0,1]=4 3940 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011214920 [0,2,0,0,0,0|1,0,1]=4 3941 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000184835 [0,2,0,0,0,0|1,0,1]=4 3942 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011214920 [0,2,0,0,0,0|1,0,1]=4 3943 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000184835 [0,2,0,0,0,0|1,0,1]=4 3944 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCBr 6a_100000186029_100011261029 [0,2,0,0,0,0|1,0,0]=3 3945 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCCl 6a_100000186029_100000053229 [0,2,0,0,0,0|1,0,0]=3 3946 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCF 1458a_100016267368_100011217306 [0,2,0,0,0,0|1,0,0]=3 3947 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCO 1458a_100016267368_100000211926 [0,2,0,0,0,0|1,0,0]=3 3948 B14R1.502 O=C(C=Cc1ccc(cc1)Cl)CCF 1458a_100000184863_100011217306 [0,2,0,0,0,0|1,0,0]=3 3949 B14R1.502 O=C(C=Cc1ccc(cc1)Cl)CCO 1458a_100000184863_100000211926 [0,2,0,0,0,0|1,0,0]=3 3950 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCBr 6a_100000210084_100011261029 [0,2,0,0,0,0|1,0,0]=3 3951 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCCl 6a_100000210084_100000053229 [0,2,0,0,0,0|1,0,0]=3 3952 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCF 1458a_100000182136_100011217306 [0,2,0,0,0,0|1,0,0]=3 3953 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCO 1458a_100000182136_100000211926 [0,2,0,0,0,0|1,0,0]=3 3954 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCBr 6a_100000188517_100011261029 [0,2,0,0,0,0|1,0,0]=3 3955 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCCl 6a_100000188517_100000053229 [0,2,0,0,0,0|1,0,0]=3 3956 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCF 1458a_100102526154_100011217306 [0,2,0,0,0,0|1,0,0]=3 3957 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCO 1458a_100102526154_100000211926 [0,2,0,0,0,0|1,0,0]=3 3958 B14R1.502 O=C(C=Cc1ccc(cn1)Br)CCBr 6a_100000754260_100011261029 [0,2,0,0,0,0|2,0,0]=4 3959 B14R1.502 O=C(C=Cc1ccc(cn1)Br)CCCl 6a_100000754260_100000053229 [0,2,0,0,0,0|2,0,0]=4 3960 B14R1.502 O=C(C=Cc1ccc(cn1)F)CCBr 6a_100011934744_100011261029 [0,2,0,0,0,0|2,0,0]=4 3961 B14R1.502 O=C(C=Cc1ccc(cn1)F)CCCl 6a_100011934744_100000053229 [0,2,0,0,0,0|2,0,0]=4 3962 B14R1.502 O=C(C=Cc1ccc(cn1)F)CCF 1458a_100020630499_100011217306 [0,2,0,0,0,0|2,0,0]=4 3963 B14R1.502 O=C(C=Cc1ccc(cn1)F)CCO 1458a_100020630499_100000211926 [0,2,0,0,0,0|2,0,0]=4 3964 B14R1.502 O=C(C=Cc1ccc(nc1)Br)CCF 1458a_100020588214_100011217306 [0,2,0,0,0,0|2,0,0]=4 3965 B14R1.502 O=C(C=Cc1ccc(nc1)Br)CCO 1458a_100020588214_100000211926 [0,2,0,0,0,0|2,0,0]=4 3966 B14R1.679 CC(C)C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210206 [0,2,0,0,0,0|1,0,0]=3 3967 B14R1.679 CC(C)C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210206 [0,2,0,0,0,0|1,0,0]=3 3968 B14R1.679 CC(C)C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210206 [0,2,0,0,0,0|1,0,0]=3 3969 B14R1.679 CC(C)C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210206 [0,2,0,0,0,0|1,0,0]=3 3970 B14R1.679 CC(C)C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210206 [0,2,0,0,0,0|2,0,0]=4 3971 B14R1.679 CC(C)C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210206 [0,2,0,0,0,0|2,0,0]=4 3972 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)Br 11a_100102631434_100016267368 [0,2,0,0,0,0|1,0,0]=3 3973 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)Br 1626a_100102631434_100016267368 [0,2,0,0,0,0|1,0,0]=3 3974 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)Cl 11a_100102631434_100000184863 [0,2,0,0,0,0|1,0,0]=3 3975 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)Cl 1626a_100102631434_100000184863 [0,2,0,0,0,0|1,0,0]=3 3976 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)Cl 240690a_100102631434_100000184863 [0,2,0,0,0,0|1,0,0]=3 3977 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)F 11a_100102631434_100000182136 [0,2,0,0,0,0|1,0,0]=3 3978 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)F 1626a_100102631434_100000182136 [0,2,0,0,0,0|1,0,0]=3 3979 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)F 240690a_100102631434_100000182136 [0,2,0,0,0,0|1,0,0]=3 3980 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)I 11a_100102631434_100102526154 [0,2,0,0,0,0|1,0,0]=3 3981 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)I 1626a_100102631434_100102526154 [0,2,0,0,0,0|1,0,0]=3 3982 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)I 240690a_100102631434_100102526154 [0,2,0,0,0,0|1,0,0]=3 3983 B14R1.679 CN(C)C(=O)C=Cc1ccc(cc1)O 240690a_100102631434_100016269017 [0,2,0,0,0,0|1,0,0]=3 3984 B14R1.679 CN(C)C(=O)C=Cc1ccc(cn1)F 11a_100102631434_100020630499 [0,2,0,0,0,0|2,0,0]=4 3985 B14R1.679 CN(C)C(=O)C=Cc1ccc(cn1)F 1626a_100102631434_100020630499 [0,2,0,0,0,0|2,0,0]=4 3986 B14R1.679 CN(C)C(=O)C=Cc1ccc(cn1)F 240690a_100102631434_100020630499 [0,2,0,0,0,0|2,0,0]=4 3987 B14R1.679 CN(C)C(=O)C=Cc1ccc(nc1)Br 11a_100102631434_100020588214 [0,2,0,0,0,0|2,0,0]=4 3988 B14R1.679 CN(C)C(=O)C=Cc1ccc(nc1)Br 1626a_100102631434_100020588214 [0,2,0,0,0,0|2,0,0]=4 3989 B14R1.679 CN(C)C(=O)C=Cc1ccc(nc1)Br 240690a_100102631434_100020588214 [0,2,0,0,0,0|2,0,0]=4 3990 B14R1.679 Cc1ccc(cc1)C=CC(=O)C(C)C 1458a_100000716854_100000210206 [0,2,0,0,0,0|1,0,0]=3 3991 B14R1.679 Cc1ccc(cc1)C=CC(=O)N(C)C 11a_100102631434_100000716854 [0,2,0,0,0,0|1,0,0]=3 3992 B14R1.679 Cc1ccc(cc1)C=CC(=O)N(C)C 1626a_100102631434_100000716854 [0,2,0,0,0,0|1,0,0]=3 3993 B14R1.679 Cc1ccc(cc1)C=CC(=O)N(C)C 240690a_100102631434_100000716854 [0,2,0,0,0,0|1,0,0]=3 3994 B14R1.727 CCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100000210202 [0,2,0,0,0,0|1,0,0]=3 3995 B14R1.727 CCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100000211110 [0,2,0,0,0,0|1,0,0]=3 3996 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100000210202 [0,2,0,0,0,0|1,0,0]=3 3997 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100000210202 [0,2,0,0,0,0|1,0,0]=3 3998 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100000210202 [0,2,0,0,0,0|1,0,0]=3 3999 B14R1.727 CCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100000211110 [0,2,0,0,0,0|1,0,0]=3 4000 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100000210202 [0,2,0,0,0,0|1,0,0]=3 4001 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100000211110 [0,2,0,0,0,0|1,0,0]=3 4002 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)C 6a_100011217368_100000211110 [0,2,0,0,0,0|1,0,0]=3 4003 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100000210202 [0,2,0,0,0,0|1,0,0]=3 4004 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100000210202 [0,2,0,0,0,0|1,0,0]=3 4005 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100000211110 [0,2,0,0,0,0|1,0,0]=3 4006 B14R1.727 CCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100000211110 [0,2,0,0,0,0|1,0,0]=3 4007 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100000211110 [0,2,0,0,0,0|1,0,0]=3 4008 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)C 6a_100010150104_100000211110 [0,2,0,0,0,0|1,0,0]=3 4009 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100000211110 [0,2,0,0,0,0|1,0,0]=3 4010 B14R1.727 CCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100000211110 [0,2,0,0,0,0|1,0,0]=3 4011 B14R1.727 CCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100000211110 [0,2,0,0,0,0|1,0,0]=3 4012 B14R1.727 CCC(=O)C=Cc1ncc(cc1Br)Br 6a_100000688198_100000211110 [0,2,0,0,0,0|2,0,0]=4 4013 B14R1.727 CCC(=O)C=Cc1ncc(cc1Br)Cl 6a_100010064872_100000211110 [0,2,0,0,0,0|2,0,0]=4 4014 B14R1.727 CCC(=O)C=Cc1ncc(cc1C)Br 6a_100010185443_100000211110 [0,2,0,0,0,0|2,0,0]=4 4015 B14R1.727 CCC(=O)C=Cc1ncc(cc1C)Cl 6a_200009887756_100000211110 [0,2,0,0,0,0|2,0,0]=4 4016 B14R1.727 CCC(=O)C=Cc1ncc(cc1Cl)Br 6a_100009814801_100000211110 [0,2,0,0,0,0|2,0,0]=4 4017 B14R1.727 CCC(=O)C=Cc1ncc(cc1Cl)Cl 6a_100011361609_100000211110 [0,2,0,0,0,0|2,0,0]=4 4018 B14R1.727 CCC(=O)C=Cc1ncc(cc1F)Br 6a_100010180630_100000211110 [0,2,0,0,0,0|2,0,0]=4 4019 B14R1.727 CCC(=O)C=Cc1ncc(cc1F)C 6a_100009845184_100000211110 [0,2,0,0,0,0|2,0,0]=4 4020 B14R1.727 CCC(=O)C=Cc1ncc(cc1F)Cl 6a_100009858488_100000211110 [0,2,0,0,0,0|2,0,0]=4 4021 B14R1.727 CNC(=O)C=Cc1ccc(cc1Br)F 11a_106832991635_200102591336 [0,2,0,0,0,0|1,0,0]=3 4022 B14R1.727 CNC(=O)C=Cc1ccc(cc1Br)F 1626a_100102657272_200102591336 [0,2,0,0,0,0|1,0,0]=3 4023 B14R1.727 CNC(=O)C=Cc1ccc(cc1Br)F 240690a_100102657272_200102591336 [0,2,0,0,0,0|1,0,0]=3 4024 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)C 11a_106832991635_100000238256 [0,2,0,0,0,0|1,0,0]=3 4025 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)C 1626a_100102657272_100000238256 [0,2,0,0,0,0|1,0,0]=3 4026 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)F 11a_106832991635_100016280397 [0,2,0,0,0,0|1,0,0]=3 4027 B14R1.727 CNC(=O)C=Cc1ccc(cc1C)F 1626a_100102657272_100016280397 [0,2,0,0,0,0|1,0,0]=3 4028 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Br 11a_106832991635_100102525105 [0,2,0,0,0,0|1,0,0]=3 4029 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Br 1626a_100102657272_100102525105 [0,2,0,0,0,0|1,0,0]=3 4030 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100102657272_100102525105 [0,2,0,0,0,0|1,0,0]=3 4031 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Cl 11a_106832991635_100016270030 [0,2,0,0,0,0|1,0,0]=3 4032 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Cl 1626a_100102657272_100016270030 [0,2,0,0,0,0|1,0,0]=3 4033 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100102657272_100016270030 [0,2,0,0,0,0|1,0,0]=3 4034 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)F 11a_106832991635_200102525072 [0,2,0,0,0,0|1,0,0]=3 4035 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)F 1626a_100102657272_200102525072 [0,2,0,0,0,0|1,0,0]=3 4036 B14R1.727 CNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100102657272_200102525072 [0,2,0,0,0,0|1,0,0]=3 4037 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Br 11a_106832991635_100011214948 [0,2,0,0,0,0|1,0,0]=3 4038 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Br 1626a_100102657272_100011214948 [0,2,0,0,0,0|1,0,0]=3 4039 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Br 240690a_100102657272_100011214948 [0,2,0,0,0,0|1,0,0]=3 4040 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Cl 11a_106832991635_100102561868 [0,2,0,0,0,0|1,0,0]=3 4041 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Cl 1626a_100102657272_100102561868 [0,2,0,0,0,0|1,0,0]=3 4042 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100102657272_100102561868 [0,2,0,0,0,0|1,0,0]=3 4043 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)F 11a_106832991635_100011195072 [0,2,0,0,0,0|1,0,0]=3 4044 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)F 1626a_100102657272_100011195072 [0,2,0,0,0,0|1,0,0]=3 4045 B14R1.727 CNC(=O)C=Cc1ccc(cc1F)F 240690a_100102657272_100011195072 [0,2,0,0,0,0|1,0,0]=3 4046 B14R1.727 COC(=O)/C=C/c1ccc(cc1F)O 271570a_203496583355_100102763825 [0,2,0,0,0,0|0,0,0]=2 4047 B14R1.727 COC(=O)CNc1ccc(cc1Br)Br 34a_100000211012_100000747449 [0,2,0,0,0,0|1,0,1]=4 4048 B14R1.727 COC(=O)CNc1ccc(cc1Br)C 34a_100000210942_100000747449 [0,2,0,0,0,0|1,0,1]=4 4049 B14R1.727 COC(=O)CNc1ccc(cc1Br)Cl 34a_100000752454_100000747449 [0,2,0,0,0,0|1,0,1]=4 4050 B14R1.727 COC(=O)CNc1ccc(cc1Br)F 34a_100000738039_100000747449 [0,2,0,0,0,0|1,0,1]=4 4051 B14R1.727 COC(=O)CNc1ccc(cc1Br)O 34a_100012001276_100000747449 [0,2,0,0,0,0|1,0,1]=4 4052 B14R1.727 COC(=O)CNc1ccc(cc1C)Br 34a_100000211769_100000747449 [0,2,0,0,0,0|1,0,1]=4 4053 B14R1.727 COC(=O)CNc1ccc(cc1C)Br 7a_100000211769_100000747449 [0,2,0,0,0,0|1,0,1]=4 4054 B14R1.727 COC(=O)CNc1ccc(cc1C)C 34a_100000736561_100000747449 [0,2,0,0,0,0|1,0,1]=4 4055 B14R1.727 COC(=O)CNc1ccc(cc1C)C 7a_100000736561_100000747449 [0,2,0,0,0,0|1,0,1]=4 4056 B14R1.727 COC(=O)CNc1ccc(cc1C)Cl 34a_100000210418_100000747449 [0,2,0,0,0,0|1,0,1]=4 4057 B14R1.727 COC(=O)CNc1ccc(cc1C)Cl 7a_100000210418_100000747449 [0,2,0,0,0,0|1,0,1]=4 4058 B14R1.727 COC(=O)CNc1ccc(cc1C)F 34a_100000211637_100000747449 [0,2,0,0,0,0|1,0,1]=4 4059 B14R1.727 COC(=O)CNc1ccc(cc1C)F 7a_100000211637_100000747449 [0,2,0,0,0,0|1,0,1]=4 4060 B14R1.727 COC(=O)CNc1ccc(cc1C)I 34a_100000184554_100000747449 [0,2,0,0,0,0|1,0,1]=4 4061 B14R1.727 COC(=O)CNc1ccc(cc1C)I 7a_100000184554_100000747449 [0,2,0,0,0,0|1,0,1]=4 4062 B14R1.727 COC(=O)CNc1ccc(cc1C)O 34a_100000756630_100000747449 [0,2,0,0,0,0|1,0,1]=4 4063 B14R1.727 COC(=O)CNc1ccc(cc1Cl)Br 34a_100000211467_100000747449 [0,2,0,0,0,0|1,0,1]=4 4064 B14R1.727 COC(=O)CNc1ccc(cc1Cl)C 34a_100000210522_100000747449 [0,2,0,0,0,0|1,0,1]=4 4065 B14R1.727 COC(=O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000747449 [0,2,0,0,0,0|1,0,1]=4 4066 B14R1.727 COC(=O)CNc1ccc(cc1Cl)F 34a_100000212003_100000747449 [0,2,0,0,0,0|1,0,1]=4 4067 B14R1.727 COC(=O)CNc1ccc(cc1Cl)I 34a_100011218065_100000747449 [0,2,0,0,0,0|1,0,1]=4 4068 B14R1.727 COC(=O)CNc1ccc(cc1Cl)O 34a_100011215599_100000747449 [0,2,0,0,0,0|1,0,1]=4 4069 B14R1.727 COC(=O)CNc1ccc(cc1F)Br 34a_100000210722_100000747449 [0,2,0,0,0,0|1,0,1]=4 4070 B14R1.727 COC(=O)CNc1ccc(cc1F)C 34a_100000211023_100000747449 [0,2,0,0,0,0|1,0,1]=4 4071 B14R1.727 COC(=O)CNc1ccc(cc1F)Cl 34a_100000211020_100000747449 [0,2,0,0,0,0|1,0,1]=4 4072 B14R1.727 COC(=O)CNc1ccc(cc1F)F 34a_100000210720_100000747449 [0,2,0,0,0,0|1,0,1]=4 4073 B14R1.727 COC(=O)CNc1ccc(cc1F)I 34a_100011215594_100000747449 [0,2,0,0,0,0|1,0,1]=4 4074 B14R1.727 COC(=O)CNc1ccc(cc1F)O 34a_100000759473_100000747449 [0,2,0,0,0,0|1,0,1]=4 4075 B14R1.727 COC(=O)CNc1ccc(cc1I)Br 34a_100000187925_100000747449 [0,2,0,0,0,0|1,0,1]=4 4076 B14R1.727 COC(=O)CNc1ccc(cc1I)C 34a_100011356834_100000747449 [0,2,0,0,0,0|1,0,1]=4 4077 B14R1.727 COC(=O)CNc1ccc(cc1I)Cl 34a_100000761889_100000747449 [0,2,0,0,0,0|1,0,1]=4 4078 B14R1.727 COC(=O)CNc1ccc(cc1I)F 34a_100000760547_100000747449 [0,2,0,0,0,0|1,0,1]=4 4079 B14R1.727 COC(=O)CNc1ccc(cc1I)O 34a_100010084370_100000747449 [0,2,0,0,0,0|1,0,1]=4 4080 B14R1.727 COC(=O)CNc1ccc(cc1O)Br 34a_100000739049_100000747449 [0,2,0,0,0,0|1,0,1]=4 4081 B14R1.727 COC(=O)CNc1ccc(cc1O)C 34a_100000211527_100000747449 [0,2,0,0,0,0|1,0,1]=4 4082 B14R1.727 COC(=O)CNc1ccc(cc1O)Cl 34a_100000185728_100000747449 [0,2,0,0,0,0|1,0,1]=4 4083 B14R1.727 COC(=O)CNc1ccc(cc1O)F 34a_100000753323_100000747449 [0,2,0,0,0,0|1,0,1]=4 4084 B14R1.727 COC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000747449 [0,2,0,0,0,0|1,0,1]=4 4085 B14R1.727 COC(=O)COc1ccc(cc1Br)Br 34a_100000188717_100000747449 [0,2,0,0,0,0|1,0,1]=4 4086 B14R1.727 COC(=O)COc1ccc(cc1Br)Br 7a_100000188717_100000747449 [0,2,0,0,0,0|1,0,1]=4 4087 B14R1.727 COC(=O)COc1ccc(cc1Br)C 34a_100000210800_100000747449 [0,2,0,0,0,0|1,0,1]=4 4088 B14R1.727 COC(=O)COc1ccc(cc1Br)C 7a_100000210800_100000747449 [0,2,0,0,0,0|1,0,1]=4 4089 B14R1.727 COC(=O)COc1ccc(cc1Br)Cl 34a_100000211998_100000747449 [0,2,0,0,0,0|1,0,1]=4 4090 B14R1.727 COC(=O)COc1ccc(cc1Br)Cl 7a_100000211998_100000747449 [0,2,0,0,0,0|1,0,1]=4 4091 B14R1.727 COC(=O)COc1ccc(cc1Br)F 34a_100000211999_100000747449 [0,2,0,0,0,0|1,0,1]=4 4092 B14R1.727 COC(=O)COc1ccc(cc1Br)F 7a_100000211999_100000747449 [0,2,0,0,0,0|1,0,1]=4 4093 B14R1.727 COC(=O)COc1ccc(cc1Br)I 34a_100012361655_100000747449 [0,2,0,0,0,0|1,0,1]=4 4094 B14R1.727 COC(=O)COc1ccc(cc1Br)I 7a_100012361655_100000747449 [0,2,0,0,0,0|1,0,1]=4 4095 B14R1.727 COC(=O)COc1ccc(cc1Br)N 34a_100011534360_100000747449 [0,2,0,0,0,0|1,0,1]=4 4096 B14R1.727 COC(=O)COc1ccc(cc1Br)N 7a_100011534360_100000747449 [0,2,0,0,0,0|1,0,1]=4 4097 B14R1.727 COC(=O)COc1ccc(cc1C)Br 34a_100000186361_100000747449 [0,2,0,0,0,0|1,0,1]=4 4098 B14R1.727 COC(=O)COc1ccc(cc1C)Br 7a_100000186361_100000747449 [0,2,0,0,0,0|1,0,1]=4 4099 B14R1.727 COC(=O)COc1ccc(cc1C)C 34a_100000211776_100000747449 [0,2,0,0,0,0|1,0,1]=4 4100 B14R1.727 COC(=O)COc1ccc(cc1C)C 7a_100000211776_100000747449 [0,2,0,0,0,0|1,0,1]=4 4101 B14R1.727 COC(=O)COc1ccc(cc1C)Cl 34a_100000211091_100000747449 [0,2,0,0,0,0|1,0,1]=4 4102 B14R1.727 COC(=O)COc1ccc(cc1C)Cl 7a_100000211091_100000747449 [0,2,0,0,0,0|1,0,1]=4 4103 B14R1.727 COC(=O)COc1ccc(cc1C)F 34a_100000764316_100000747449 [0,2,0,0,0,0|1,0,1]=4 4104 B14R1.727 COC(=O)COc1ccc(cc1C)F 7a_100000764316_100000747449 [0,2,0,0,0,0|1,0,1]=4 4105 B14R1.727 COC(=O)COc1ccc(cc1C)I 34a_100011218673_100000747449 [0,2,0,0,0,0|1,0,1]=4 4106 B14R1.727 COC(=O)COc1ccc(cc1C)I 7a_100011218673_100000747449 [0,2,0,0,0,0|1,0,1]=4 4107 B14R1.727 COC(=O)COc1ccc(cc1C)N 34a_100011218179_100000747449 [0,2,0,0,0,0|1,0,1]=4 4108 B14R1.727 COC(=O)COc1ccc(cc1C)N 7a_100011218179_100000747449 [0,2,0,0,0,0|1,0,1]=4 4109 B14R1.727 COC(=O)COc1ccc(cc1Cl)Br 34a_100000186472_100000747449 [0,2,0,0,0,0|1,0,1]=4 4110 B14R1.727 COC(=O)COc1ccc(cc1Cl)Br 7a_100000186472_100000747449 [0,2,0,0,0,0|1,0,1]=4 4111 B14R1.727 COC(=O)COc1ccc(cc1Cl)C 34a_100000749699_100000747449 [0,2,0,0,0,0|1,0,1]=4 4112 B14R1.727 COC(=O)COc1ccc(cc1Cl)C 7a_100000749699_100000747449 [0,2,0,0,0,0|1,0,1]=4 4113 B14R1.727 COC(=O)COc1ccc(cc1Cl)Cl 34a_100015191787_100000747449 [0,2,0,0,0,0|1,0,1]=4 4114 B14R1.727 COC(=O)COc1ccc(cc1Cl)Cl 7a_100015191787_100000747449 [0,2,0,0,0,0|1,0,1]=4 4115 B14R1.727 COC(=O)COc1ccc(cc1Cl)F 34a_100000212004_100000747449 [0,2,0,0,0,0|1,0,1]=4 4116 B14R1.727 COC(=O)COc1ccc(cc1Cl)F 7a_100000212004_100000747449 [0,2,0,0,0,0|1,0,1]=4 4117 B14R1.727 COC(=O)COc1ccc(cc1Cl)I 34a_100012360047_100000747449 [0,2,0,0,0,0|1,0,1]=4 4118 B14R1.727 COC(=O)COc1ccc(cc1Cl)I 7a_100012360047_100000747449 [0,2,0,0,0,0|1,0,1]=4 4119 B14R1.727 COC(=O)COc1ccc(cc1Cl)N 34a_100000744943_100000747449 [0,2,0,0,0,0|1,0,1]=4 4120 B14R1.727 COC(=O)COc1ccc(cc1Cl)N 7a_100000744943_100000747449 [0,2,0,0,0,0|1,0,1]=4 4121 B14R1.727 COC(=O)COc1ccc(cc1F)Br 34a_100000185481_100000747449 [0,2,0,0,0,0|1,0,1]=4 4122 B14R1.727 COC(=O)COc1ccc(cc1F)Br 7a_100000185481_100000747449 [0,2,0,0,0,0|1,0,1]=4 4123 B14R1.727 COC(=O)COc1ccc(cc1F)C 34a_100011216688_100000747449 [0,2,0,0,0,0|1,0,1]=4 4124 B14R1.727 COC(=O)COc1ccc(cc1F)C 7a_100011216688_100000747449 [0,2,0,0,0,0|1,0,1]=4 4125 B14R1.727 COC(=O)COc1ccc(cc1F)Cl 34a_100000230166_100000747449 [0,2,0,0,0,0|1,0,1]=4 4126 B14R1.727 COC(=O)COc1ccc(cc1F)Cl 7a_100000230166_100000747449 [0,2,0,0,0,0|1,0,1]=4 4127 B14R1.727 COC(=O)COc1ccc(cc1F)F 34a_100000230127_100000747449 [0,2,0,0,0,0|1,0,1]=4 4128 B14R1.727 COC(=O)COc1ccc(cc1F)F 7a_100000230127_100000747449 [0,2,0,0,0,0|1,0,1]=4 4129 B14R1.727 COC(=O)COc1ccc(cc1F)I 34a_100011356965_100000747449 [0,2,0,0,0,0|1,0,1]=4 4130 B14R1.727 COC(=O)COc1ccc(cc1F)I 7a_100011356965_100000747449 [0,2,0,0,0,0|1,0,1]=4 4131 B14R1.727 COC(=O)COc1ccc(cc1F)N 34a_100011220035_100000747449 [0,2,0,0,0,0|1,0,1]=4 4132 B14R1.727 COC(=O)COc1ccc(cc1F)N 7a_100011220035_100000747449 [0,2,0,0,0,0|1,0,1]=4 4133 B14R1.727 COC(=O)COc1ccc(cc1I)Br 34a_100012355227_100000747449 [0,2,0,0,0,0|1,0,1]=4 4134 B14R1.727 COC(=O)COc1ccc(cc1I)Br 7a_100012355227_100000747449 [0,2,0,0,0,0|1,0,1]=4 4135 B14R1.727 COC(=O)COc1ccc(cc1I)C 34a_100000765521_100000747449 [0,2,0,0,0,0|1,0,1]=4 4136 B14R1.727 COC(=O)COc1ccc(cc1I)C 7a_100000765521_100000747449 [0,2,0,0,0,0|1,0,1]=4 4137 B14R1.727 COC(=O)COc1ccc(cc1I)Cl 34a_100011356953_100000747449 [0,2,0,0,0,0|1,0,1]=4 4138 B14R1.727 COC(=O)COc1ccc(cc1I)Cl 7a_100011356953_100000747449 [0,2,0,0,0,0|1,0,1]=4 4139 B14R1.727 COC(=O)COc1ccc(cc1I)F 34a_100012355409_100000747449 [0,2,0,0,0,0|1,0,1]=4 4140 B14R1.727 COC(=O)COc1ccc(cc1I)F 7a_100012355409_100000747449 [0,2,0,0,0,0|1,0,1]=4 4141 B14R1.727 COC(=O)COc1ccc(cc1I)I 7a_100010001573_100000747449 [0,2,0,0,0,0|1,0,1]=4 4142 B14R1.727 COC(=O)COc1ccc(cc1N)Br 34a_100000752626_100000747449 [0,2,0,0,0,0|1,0,1]=4 4143 B14R1.727 COC(=O)COc1ccc(cc1N)Br 7a_100000752626_100000747449 [0,2,0,0,0,0|1,0,1]=4 4144 B14R1.727 COC(=O)COc1ccc(cc1N)C 34a_100011215204_100000747449 [0,2,0,0,0,0|1,0,1]=4 4145 B14R1.727 COC(=O)COc1ccc(cc1N)C 7a_100011215204_100000747449 [0,2,0,0,0,0|1,0,1]=4 4146 B14R1.727 COC(=O)COc1ccc(cc1N)Cl 34a_100000210500_100000747449 [0,2,0,0,0,0|1,0,1]=4 4147 B14R1.727 COC(=O)COc1ccc(cc1N)Cl 7a_100000210500_100000747449 [0,2,0,0,0,0|1,0,1]=4 4148 B14R1.727 COC(=O)COc1ccc(cc1N)F 34a_100000759472_100000747449 [0,2,0,0,0,0|1,0,1]=4 4149 B14R1.727 COC(=O)COc1ccc(cc1N)F 7a_100000759472_100000747449 [0,2,0,0,0,0|1,0,1]=4 4150 B14R1.727 COC(=O)COc1ccc(cc1N)I 34a_100000753495_100000747449 [0,2,0,0,0,0|1,0,1]=4 4151 B14R1.727 COC(=O)COc1ccc(cc1N)I 7a_100000753495_100000747449 [0,2,0,0,0,0|1,0,1]=4 4152 B14R1.727 COC(=O)COc1ccc(cc1N)N 34a_100000725306_100000747449 [0,2,0,0,0,0|1,0,1]=4 4153 B14R1.727 COC(=O)COc1ccc(cc1O)F 271570a_203496583355_200000151491 [0,2,0,0,0,0|1,0,1]=4 4154 B14R1.727 COC(=O)CSc1ccc(cc1Br)Br 62a_100000747449_100011484698 [0,2,0,0,0,0|1,0,1]=4 4155 B14R1.727 COC(=O)CSc1ccc(cc1Br)Br 62a_100011484698_100000747449 [0,2,0,0,0,0|1,0,1]=4 4156 B14R1.727 COC(=O)CSc1ccc(cc1Br)C 62a_100000747449_100009813563 [0,2,0,0,0,0|1,0,1]=4 4157 B14R1.727 COC(=O)CSc1ccc(cc1Br)C 62a_100009813563_100000747449 [0,2,0,0,0,0|1,0,1]=4 4158 B14R1.727 COC(=O)CSc1ccc(cc1Br)Cl 62a_100000747449_100011219703 [0,2,0,0,0,0|1,0,1]=4 4159 B14R1.727 COC(=O)CSc1ccc(cc1Br)Cl 62a_100011219703_100000747449 [0,2,0,0,0,0|1,0,1]=4 4160 B14R1.727 COC(=O)CSc1ccc(cc1Br)F 62a_100000747449_100011217111 [0,2,0,0,0,0|1,0,1]=4 4161 B14R1.727 COC(=O)CSc1ccc(cc1Br)F 62a_100011217111_100000747449 [0,2,0,0,0,0|1,0,1]=4 4162 B14R1.727 COC(=O)CSc1ccc(cc1Br)N 62a_100000747449_100000750458 [0,2,0,0,0,0|1,0,1]=4 4163 B14R1.727 COC(=O)CSc1ccc(cc1Br)N 62a_100000750458_100000747449 [0,2,0,0,0,0|1,0,1]=4 4164 B14R1.727 COC(=O)CSc1ccc(cc1Br)O 62a_100000701344_100000747449 [0,2,0,0,0,0|1,0,1]=4 4165 B14R1.727 COC(=O)CSc1ccc(cc1Br)O 62a_100000747449_100000701344 [0,2,0,0,0,0|1,0,1]=4 4166 B14R1.727 COC(=O)CSc1ccc(cc1C)Br 62a_100000701812_100000747449 [0,2,0,0,0,0|1,0,1]=4 4167 B14R1.727 COC(=O)CSc1ccc(cc1C)Br 62a_100000747449_100000701812 [0,2,0,0,0,0|1,0,1]=4 4168 B14R1.727 COC(=O)CSc1ccc(cc1C)C 62a_100000747449_100011217332 [0,2,0,0,0,0|1,0,1]=4 4169 B14R1.727 COC(=O)CSc1ccc(cc1C)C 62a_100011217332_100000747449 [0,2,0,0,0,0|1,0,1]=4 4170 B14R1.727 COC(=O)CSc1ccc(cc1C)Cl 62a_100000747449_100011219607 [0,2,0,0,0,0|1,0,1]=4 4171 B14R1.727 COC(=O)CSc1ccc(cc1C)Cl 62a_100011219607_100000747449 [0,2,0,0,0,0|1,0,1]=4 4172 B14R1.727 COC(=O)CSc1ccc(cc1C)F 62a_100000747449_100011205405 [0,2,0,0,0,0|1,0,1]=4 4173 B14R1.727 COC(=O)CSc1ccc(cc1C)F 62a_100011205405_100000747449 [0,2,0,0,0,0|1,0,1]=4 4174 B14R1.727 COC(=O)CSc1ccc(cc1C)N 62a_100000210723_100000747449 [0,2,0,0,0,0|1,0,1]=4 4175 B14R1.727 COC(=O)CSc1ccc(cc1C)N 62a_100000747449_100000210723 [0,2,0,0,0,0|1,0,1]=4 4176 B14R1.727 COC(=O)CSc1ccc(cc1C)O 62a_100000747449_100000690111 [0,2,0,0,0,0|1,0,1]=4 4177 B14R1.727 COC(=O)CSc1ccc(cc1Cl)Br 62a_100000747449_100011216062 [0,2,0,0,0,0|1,0,1]=4 4178 B14R1.727 COC(=O)CSc1ccc(cc1Cl)Br 62a_100011216062_100000747449 [0,2,0,0,0,0|1,0,1]=4 4179 B14R1.727 COC(=O)CSc1ccc(cc1Cl)C 62a_100000747449_100011263221 [0,2,0,0,0,0|1,0,1]=4 4180 B14R1.727 COC(=O)CSc1ccc(cc1Cl)C 62a_100011263221_100000747449 [0,2,0,0,0,0|1,0,1]=4 4181 B14R1.727 COC(=O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000747449 [0,2,0,0,0,0|1,0,1]=4 4182 B14R1.727 COC(=O)CSc1ccc(cc1Cl)Cl 62a_100000747449_100000699841 [0,2,0,0,0,0|1,0,1]=4 4183 B14R1.727 COC(=O)CSc1ccc(cc1Cl)F 62a_100000733362_100000747449 [0,2,0,0,0,0|1,0,1]=4 4184 B14R1.727 COC(=O)CSc1ccc(cc1Cl)F 62a_100000747449_100000733362 [0,2,0,0,0,0|1,0,1]=4 4185 B14R1.727 COC(=O)CSc1ccc(cc1Cl)N 62a_100000747449_100000761885 [0,2,0,0,0,0|1,0,1]=4 4186 B14R1.727 COC(=O)CSc1ccc(cc1Cl)N 62a_100000761885_100000747449 [0,2,0,0,0,0|1,0,1]=4 4187 B14R1.727 COC(=O)CSc1ccc(cc1Cl)O 62a_100000047559_100000747449 [0,2,0,0,0,0|1,0,1]=4 4188 B14R1.727 COC(=O)CSc1ccc(cc1Cl)O 62a_100000747449_100000047559 [0,2,0,0,0,0|1,0,1]=4 4189 B14R1.727 COC(=O)CSc1ccc(cc1F)Br 62a_100000747449_100009814013 [0,2,0,0,0,0|1,0,1]=4 4190 B14R1.727 COC(=O)CSc1ccc(cc1F)Br 62a_100009814013_100000747449 [0,2,0,0,0,0|1,0,1]=4 4191 B14R1.727 COC(=O)CSc1ccc(cc1F)C 62a_100000747449_100011216119 [0,2,0,0,0,0|1,0,1]=4 4192 B14R1.727 COC(=O)CSc1ccc(cc1F)C 62a_100011216119_100000747449 [0,2,0,0,0,0|1,0,1]=4 4193 B14R1.727 COC(=O)CSc1ccc(cc1F)Cl 62a_100000747449_100011216042 [0,2,0,0,0,0|1,0,1]=4 4194 B14R1.727 COC(=O)CSc1ccc(cc1F)Cl 62a_100011216042_100000747449 [0,2,0,0,0,0|1,0,1]=4 4195 B14R1.727 COC(=O)CSc1ccc(cc1F)F 62a_100000747449_100000750030 [0,2,0,0,0,0|1,0,1]=4 4196 B14R1.727 COC(=O)CSc1ccc(cc1F)F 62a_100000750030_100000747449 [0,2,0,0,0,0|1,0,1]=4 4197 B14R1.727 COC(=O)CSc1ccc(cc1F)N 62a_100000747449_100011356925 [0,2,0,0,0,0|1,0,1]=4 4198 B14R1.727 COC(=O)CSc1ccc(cc1F)N 62a_100011356925_100000747449 [0,2,0,0,0,0|1,0,1]=4 4199 B14R1.727 COC(=O)CSc1ccc(cc1F)O 62a_100000747449_100000755031 [0,2,0,0,0,0|1,0,1]=4 4200 B14R1.727 COC(=O)CSc1ccc(cc1F)O 62a_100000755031_100000747449 [0,2,0,0,0,0|1,0,1]=4 4201 B14R1.727 COC(=O)CSc1ccc(cc1N)Br 62a_100000743836_100000747449 [0,2,0,0,0,0|1,0,1]=4 4202 B14R1.727 COC(=O)CSc1ccc(cc1N)Br 62a_100000747449_100000743836 [0,2,0,0,0,0|1,0,1]=4 4203 B14R1.727 COC(=O)CSc1ccc(cc1N)C 62a_100000747449_100011216686 [0,2,0,0,0,0|1,0,1]=4 4204 B14R1.727 COC(=O)CSc1ccc(cc1N)C 62a_100011216686_100000747449 [0,2,0,0,0,0|1,0,1]=4 4205 B14R1.727 COC(=O)CSc1ccc(cc1N)Cl 62a_100000747449_100000761886 [0,2,0,0,0,0|1,0,1]=4 4206 B14R1.727 COC(=O)CSc1ccc(cc1N)Cl 62a_100000761886_100000747449 [0,2,0,0,0,0|1,0,1]=4 4207 B14R1.727 COC(=O)CSc1ccc(cc1N)F 62a_100000687223_100000747449 [0,2,0,0,0,0|1,0,1]=4 4208 B14R1.727 COC(=O)CSc1ccc(cc1N)F 62a_100000747449_100000687223 [0,2,0,0,0,0|1,0,1]=4 4209 B14R1.727 COC(=O)CSc1ccc(cc1N)N 62a_100000747449_200012175722 [0,2,0,0,0,0|1,0,1]=4 4210 B14R1.727 COC(=O)CSc1ccc(cc1N)N 62a_200012175722_100000747449 [0,2,0,0,0,0|1,0,1]=4 4211 B14R1.727 COC(=O)CSc1ccc(cc1N)O 62a_100000747449_100011999798 [0,2,0,0,0,0|1,0,1]=4 4212 B14R1.727 COC(=O)CSc1ccc(cc1N)O 62a_100011999798_100000747449 [0,2,0,0,0,0|1,0,1]=4 4213 B14R1.727 COC(=O)CSc1ccc(cc1O)Br 62a_100000747449_100012344904 [0,2,0,0,0,0|1,0,1]=4 4214 B14R1.727 COC(=O)CSc1ccc(cc1O)Br 62a_100012344904_100000747449 [0,2,0,0,0,0|1,0,1]=4 4215 B14R1.727 COC(=O)CSc1ccc(cc1O)C 62a_100000747449_100012002257 [0,2,0,0,0,0|1,0,1]=4 4216 B14R1.727 COC(=O)CSc1ccc(cc1O)C 62a_100012002257_100000747449 [0,2,0,0,0,0|1,0,1]=4 4217 B14R1.727 COC(=O)CSc1ccc(cc1O)Cl 62a_100000050036_100000747449 [0,2,0,0,0,0|1,0,1]=4 4218 B14R1.727 COC(=O)CSc1ccc(cc1O)Cl 62a_100000747449_100000050036 [0,2,0,0,0,0|1,0,1]=4 4219 B14R1.727 COC(=O)CSc1ccc(cc1O)F 62a_100000690578_100000747449 [0,2,0,0,0,0|1,0,1]=4 4220 B14R1.727 COC(=O)CSc1ccc(cc1O)F 62a_100000747449_100000690578 [0,2,0,0,0,0|1,0,1]=4 4221 B14R1.727 COC(=O)CSc1ccc(cc1O)O 62a_100000747449_100009813921 [0,2,0,0,0,0|1,0,1]=4 4222 B14R1.727 Cc1ccc(c(c1)F)C=CC(=O)CBr 6a_100011217368_100009888967 [0,2,0,0,0,0|2,0,0]=4 4223 B14R1.727 Cc1ccc(c(c1)F)C=CC(=O)CCl 6a_100011217368_100000086384 [0,2,0,0,0,0|2,0,0]=4 4224 B14R1.727 Cc1ccc(c(c1)F)C=CC(=O)CF 6a_100011217368_100000764096 [0,2,0,0,0,0|2,0,0]=4 4225 B14R1.727 Cc1ccc(c(c1)I)C=CC(=O)CBr 6a_100010150104_100009888967 [0,2,0,0,0,0|2,0,0]=4 4226 B14R1.727 Cc1ccc(c(c1)I)C=CC(=O)CCl 6a_100010150104_100000086384 [0,2,0,0,0,0|2,0,0]=4 4227 B14R1.727 Cc1ccc(c(c1)I)C=CC(=O)CF 6a_100010150104_100000764096 [0,2,0,0,0,0|2,0,0]=4 4228 B14R1.727 O=C(C=Cc1ccc(cc1Br)F)CF 1458a_200102591336_100015361967 [0,2,0,0,0,0|2,0,0]=4 4229 B14R1.727 O=C(C=Cc1ccc(cc1Br)I)CBr 6a_100010185650_100009888967 [0,2,0,0,0,0|2,0,0]=4 4230 B14R1.727 O=C(C=Cc1ccc(cc1Br)I)CCl 6a_100010185650_100000086384 [0,2,0,0,0,0|2,0,0]=4 4231 B14R1.727 O=C(C=Cc1ccc(cc1Br)I)CF 6a_100010185650_100000764096 [0,2,0,0,0,0|2,0,0]=4 4232 B14R1.727 O=C(C=Cc1ccc(cc1Cl)Br)CF 1458a_100102525105_100015361967 [0,2,0,0,0,0|2,0,0]=4 4233 B14R1.727 O=C(C=Cc1ccc(cc1Cl)Cl)CF 1458a_100016270030_100015361967 [0,2,0,0,0,0|2,0,0]=4 4234 B14R1.727 O=C(C=Cc1ccc(cc1Cl)F)CF 1458a_200102525072_100015361967 [0,2,0,0,0,0|2,0,0]=4 4235 B14R1.727 O=C(C=Cc1ccc(cc1Cl)I)CBr 6a_100000727542_100009888967 [0,2,0,0,0,0|2,0,0]=4 4236 B14R1.727 O=C(C=Cc1ccc(cc1Cl)I)CCl 6a_100000727542_100000086384 [0,2,0,0,0,0|2,0,0]=4 4237 B14R1.727 O=C(C=Cc1ccc(cc1Cl)I)CF 6a_100000727542_100000764096 [0,2,0,0,0,0|2,0,0]=4 4238 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CBr 6a_100000211676_100009888967 [0,2,0,0,0,0|2,0,0]=4 4239 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CCl 6a_100000211676_100000086384 [0,2,0,0,0,0|2,0,0]=4 4240 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CF 1458a_100011214948_100015361967 [0,2,0,0,0,0|2,0,0]=4 4241 B14R1.727 O=C(C=Cc1ccc(cc1F)Br)CF 6a_100000211676_100000764096 [0,2,0,0,0,0|2,0,0]=4 4242 B14R1.727 O=C(C=Cc1ccc(cc1F)Cl)CF 1458a_100102561868_100015361967 [0,2,0,0,0,0|2,0,0]=4 4243 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CBr 6a_100000211964_100009888967 [0,2,0,0,0,0|2,0,0]=4 4244 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CCl 6a_100000211964_100000086384 [0,2,0,0,0,0|2,0,0]=4 4245 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CF 1458a_100011195072_100015361967 [0,2,0,0,0,0|2,0,0]=4 4246 B14R1.727 O=C(C=Cc1ccc(cc1F)F)CF 6a_100000211964_100000764096 [0,2,0,0,0,0|2,0,0]=4 4247 B14R1.727 O=C(C=Cc1ccc(cc1F)I)CBr 6a_100000050965_100009888967 [0,2,0,0,0,0|2,0,0]=4 4248 B14R1.727 O=C(C=Cc1ccc(cc1F)I)CCl 6a_100000050965_100000086384 [0,2,0,0,0,0|2,0,0]=4 4249 B14R1.727 O=C(C=Cc1ccc(cc1F)I)CF 6a_100000050965_100000764096 [0,2,0,0,0,0|2,0,0]=4 4250 B14R1.727 O=C(C=Cc1ccc(cc1I)Br)CBr 6a_100010146562_100009888967 [0,2,0,0,0,0|2,0,0]=4 4251 B14R1.727 O=C(C=Cc1ccc(cc1I)Br)CCl 6a_100010146562_100000086384 [0,2,0,0,0,0|2,0,0]=4 4252 B14R1.727 O=C(C=Cc1ccc(cc1I)Br)CF 6a_100010146562_100000764096 [0,2,0,0,0,0|2,0,0]=4 4253 B14R1.727 O=C(C=Cc1ccc(cc1I)F)CBr 6a_100010254405_100009888967 [0,2,0,0,0,0|2,0,0]=4 4254 B14R1.727 O=C(C=Cc1ccc(cc1I)F)CCl 6a_100010254405_100000086384 [0,2,0,0,0,0|2,0,0]=4 4255 B14R1.727 O=C(C=Cc1ccc(cc1I)F)CF 6a_100010254405_100000764096 [0,2,0,0,0,0|2,0,0]=4 4256 B14R1.727 O=C(C=Cc1ccc(cc1I)O)CBr 6a_100000051608_100009888967 [0,2,0,0,0,0|2,0,0]=4 4257 B14R1.727 O=C(C=Cc1ccc(cc1I)O)CCl 6a_100000051608_100000086384 [0,2,0,0,0,0|2,0,0]=4 4258 B14R1.727 O=C(C=Cc1ccc(cc1I)O)CF 6a_100000051608_100000764096 [0,2,0,0,0,0|2,0,0]=4 4259 B14R1.727 O=C(C=Cc1ccc(cc1O)I)CBr 6a_100000050530_100009888967 [0,2,0,0,0,0|2,0,0]=4 4260 B14R1.727 O=C(C=Cc1ccc(cc1O)I)CCl 6a_100000050530_100000086384 [0,2,0,0,0,0|2,0,0]=4 4261 B14R1.727 O=C(C=Cc1ccc(cc1O)I)CF 6a_100000050530_100000764096 [0,2,0,0,0,0|2,0,0]=4 4262 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100000210202 [0,2,0,0,0,0|1,0,0]=3 4263 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_100000211110 [0,2,0,0,0,0|1,0,0]=3 4264 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100000210202 [0,2,0,0,0,0|1,0,0]=3 4265 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_100000211110 [0,2,0,0,0,0|1,0,0]=3 4266 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000210202 [0,2,0,0,0,0|1,0,0]=3 4267 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_100000210202 [0,2,0,0,0,0|1,0,0]=3 4268 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_100000211110 [0,2,0,0,0,0|1,0,0]=3 4269 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)Cl 6a_100000698814_100000211110 [0,2,0,0,0,0|1,0,0]=3 4270 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_100000210202 [0,2,0,0,0,0|1,0,0]=3 4271 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)C)F 6a_100000748208_100000211110 [0,2,0,0,0,0|1,0,0]=3 4272 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)C 6a_100000760539_100000211110 [0,2,0,0,0,0|1,0,0]=3 4273 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100000210202 [0,2,0,0,0,0|1,0,0]=3 4274 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_100000211110 [0,2,0,0,0,0|1,0,0]=3 4275 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100000210202 [0,2,0,0,0,0|1,0,0]=3 4276 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_100000211110 [0,2,0,0,0,0|1,0,0]=3 4277 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000210202 [0,2,0,0,0,0|1,0,0]=3 4278 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100000211110 [0,2,0,0,0,0|1,0,0]=3 4279 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100000210202 [0,2,0,0,0,0|1,0,0]=3 4280 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_100000211110 [0,2,0,0,0,0|1,0,0]=3 4281 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_100000210202 [0,2,0,0,0,0|1,0,0]=3 4282 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)C 6a_100000753222_100000211110 [0,2,0,0,0,0|1,0,0]=3 4283 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100000210202 [0,2,0,0,0,0|1,0,0]=3 4284 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_100000211110 [0,2,0,0,0,0|1,0,0]=3 4285 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100000210202 [0,2,0,0,0,0|1,0,0]=3 4286 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_100000211110 [0,2,0,0,0,0|1,0,0]=3 4287 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_100000211110 [0,2,0,0,0,0|1,0,0]=3 4288 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100000211110 [0,2,0,0,0,0|1,0,0]=3 4289 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_100000211110 [0,2,0,0,0,0|1,0,0]=3 4290 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)C 6a_100010197721_100000211110 [0,2,0,0,0,0|1,0,0]=3 4291 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_100000211110 [0,2,0,0,0,0|1,0,0]=3 4292 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_100000211110 [0,2,0,0,0,0|1,0,0]=3 4293 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100000211110 [0,2,0,0,0,0|1,0,0]=3 4294 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100000211110 [0,2,0,0,0,0|1,0,0]=3 4295 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100000211110 [0,2,0,0,0,0|1,0,0]=3 4296 B14R1.833 CCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100000211110 [0,2,0,0,0,0|1,0,0]=3 4297 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)Cl 11a_106832991635_100102889548 [0,2,0,0,0,0|1,0,0]=3 4298 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)Cl 1626a_100102657272_100102889548 [0,2,0,0,0,0|1,0,0]=3 4299 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_100102657272_100102889548 [0,2,0,0,0,0|1,0,0]=3 4300 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)F 11a_106832991635_100011195070 [0,2,0,0,0,0|1,0,0]=3 4301 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)F 1626a_100102657272_100011195070 [0,2,0,0,0,0|1,0,0]=3 4302 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_100102657272_100011195070 [0,2,0,0,0,0|1,0,0]=3 4303 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100102657272_200103079279 [0,2,0,0,0,0|1,0,0]=3 4304 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)C 11a_106832991635_100011338269 [0,2,0,0,0,0|1,0,0]=3 4305 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)C 1626a_100102657272_100011338269 [0,2,0,0,0,0|1,0,0]=3 4306 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)C 240690a_100102657272_100011338269 [0,2,0,0,0,0|1,0,0]=3 4307 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)F 11a_106832991635_100016261966 [0,2,0,0,0,0|1,0,0]=3 4308 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)F 1626a_100102657272_100016261966 [0,2,0,0,0,0|1,0,0]=3 4309 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)C)F 240690a_100102657272_100016261966 [0,2,0,0,0,0|1,0,0]=3 4310 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)Cl 11a_106832991635_100000716972 [0,2,0,0,0,0|1,0,0]=3 4311 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)Cl 1626a_100102657272_100000716972 [0,2,0,0,0,0|1,0,0]=3 4312 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_100102657272_100000716972 [0,2,0,0,0,0|1,0,0]=3 4313 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)F 11a_106832991635_100102525453 [0,2,0,0,0,0|1,0,0]=3 4314 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)F 1626a_100102657272_100102525453 [0,2,0,0,0,0|1,0,0]=3 4315 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_100102657272_100102525453 [0,2,0,0,0,0|1,0,0]=3 4316 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100102657272_200103117615 [0,2,0,0,0,0|1,0,0]=3 4317 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Br 11a_106832991635_100102601611 [0,2,0,0,0,0|1,0,0]=3 4318 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Br 1626a_100102657272_100102601611 [0,2,0,0,0,0|1,0,0]=3 4319 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_100102657272_100102601611 [0,2,0,0,0,0|1,0,0]=3 4320 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)C 11a_106832991635_100102526211 [0,2,0,0,0,0|1,0,0]=3 4321 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)C 1626a_100102657272_100102526211 [0,2,0,0,0,0|1,0,0]=3 4322 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)C 240690a_100102657272_100102526211 [0,2,0,0,0,0|1,0,0]=3 4323 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Cl 11a_106832991635_100020610926 [0,2,0,0,0,0|1,0,0]=3 4324 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Cl 1626a_100102657272_100020610926 [0,2,0,0,0,0|1,0,0]=3 4325 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_100102657272_100020610926 [0,2,0,0,0,0|1,0,0]=3 4326 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)F 11a_106832991635_100011195075 [0,2,0,0,0,0|1,0,0]=3 4327 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)F 1626a_100102657272_100011195075 [0,2,0,0,0,0|1,0,0]=3 4328 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)F)F 240690a_100102657272_100011195075 [0,2,0,0,0,0|1,0,0]=3 4329 B14R1.833 CNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100102657272_100011195073 [0,2,0,0,0,0|1,0,0]=3 4330 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100000747449 [0,2,0,0,0,0|1,0,1]=4 4331 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100000747449 [0,2,0,0,0,0|1,0,1]=4 4332 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100000747449 [0,2,0,0,0,0|1,0,1]=4 4333 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)C 2230a_100000736455_100000747449 [0,2,0,0,0,0|1,0,1]=4 4334 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)C 34a_100000736455_100000747449 [0,2,0,0,0,0|1,0,1]=4 4335 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)C 7a_100000736455_100000747449 [0,2,0,0,0,0|1,0,1]=4 4336 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000747449 [0,2,0,0,0,0|1,0,1]=4 4337 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000747449 [0,2,0,0,0,0|1,0,1]=4 4338 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100000747449 [0,2,0,0,0,0|1,0,1]=4 4339 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)F 34a_100000760356_100000747449 [0,2,0,0,0,0|1,0,1]=4 4340 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)F 7a_100000760356_100000747449 [0,2,0,0,0,0|1,0,1]=4 4341 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)I 34a_100000750458_100000747449 [0,2,0,0,0,0|1,0,1]=4 4342 B14R1.833 COC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000747449 [0,2,0,0,0,0|1,0,1]=4 4343 B14R1.833 COC(=O)CNc1ccc(c(c1)C)Br 2230a_100000210723_100000747449 [0,2,0,0,0,0|1,0,1]=4 4344 B14R1.833 COC(=O)CNc1ccc(c(c1)C)Br 34a_100000210723_100000747449 [0,2,0,0,0,0|1,0,1]=4 4345 B14R1.833 COC(=O)CNc1ccc(c(c1)C)Br 7a_100000210723_100000747449 [0,2,0,0,0,0|1,0,1]=4 4346 B14R1.833 COC(=O)CNc1ccc(c(c1)C)C 2230a_100000724040_100000747449 [0,2,0,0,0,0|1,0,1]=4 4347 B14R1.833 COC(=O)CNc1ccc(c(c1)C)C 34a_100000724040_100000747449 [0,2,0,0,0,0|1,0,1]=4 4348 B14R1.833 COC(=O)CNc1ccc(c(c1)C)C 7a_100000724040_100000747449 [0,2,0,0,0,0|1,0,1]=4 4349 B14R1.833 COC(=O)CNc1ccc(c(c1)C)Cl 2230a_100000187808_100000747449 [0,2,0,0,0,0|1,0,1]=4 4350 B14R1.833 COC(=O)CNc1ccc(c(c1)C)Cl 34a_100000187808_100000747449 [0,2,0,0,0,0|1,0,1]=4 4351 B14R1.833 COC(=O)CNc1ccc(c(c1)C)Cl 7a_100000187808_100000747449 [0,2,0,0,0,0|1,0,1]=4 4352 B14R1.833 COC(=O)CNc1ccc(c(c1)C)F 2230a_100000750164_100000747449 [0,2,0,0,0,0|1,0,1]=4 4353 B14R1.833 COC(=O)CNc1ccc(c(c1)C)F 34a_100000750164_100000747449 [0,2,0,0,0,0|1,0,1]=4 4354 B14R1.833 COC(=O)CNc1ccc(c(c1)C)F 7a_100000750164_100000747449 [0,2,0,0,0,0|1,0,1]=4 4355 B14R1.833 COC(=O)CNc1ccc(c(c1)C)I 34a_100000198070_100000747449 [0,2,0,0,0,0|1,0,1]=4 4356 B14R1.833 COC(=O)CNc1ccc(c(c1)C)I 7a_100000198070_100000747449 [0,2,0,0,0,0|1,0,1]=4 4357 B14R1.833 COC(=O)CNc1ccc(c(c1)C)O 34a_100011218179_100000747449 [0,2,0,0,0,0|1,0,1]=4 4358 B14R1.833 COC(=O)CNc1ccc(c(c1)C)O 7a_100011218179_100000747449 [0,2,0,0,0,0|1,0,1]=4 4359 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000747449 [0,2,0,0,0,0|1,0,1]=4 4360 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100000747449 [0,2,0,0,0,0|1,0,1]=4 4361 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100000747449 [0,2,0,0,0,0|1,0,1]=4 4362 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)C 2230a_100000188892_100000747449 [0,2,0,0,0,0|1,0,1]=4 4363 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)C 34a_100000188892_100000747449 [0,2,0,0,0,0|1,0,1]=4 4364 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)C 7a_100000188892_100000747449 [0,2,0,0,0,0|1,0,1]=4 4365 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000747449 [0,2,0,0,0,0|1,0,1]=4 4366 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000747449 [0,2,0,0,0,0|1,0,1]=4 4367 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100000747449 [0,2,0,0,0,0|1,0,1]=4 4368 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100000747449 [0,2,0,0,0,0|1,0,1]=4 4369 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100000747449 [0,2,0,0,0,0|1,0,1]=4 4370 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100000747449 [0,2,0,0,0,0|1,0,1]=4 4371 B14R1.833 COC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000747449 [0,2,0,0,0,0|1,0,1]=4 4372 B14R1.833 COC(=O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100000747449 [0,2,0,0,0,0|1,0,1]=4 4373 B14R1.833 COC(=O)CNc1ccc(c(c1)F)Br 34a_100000759894_100000747449 [0,2,0,0,0,0|1,0,1]=4 4374 B14R1.833 COC(=O)CNc1ccc(c(c1)F)Br 7a_100000759894_100000747449 [0,2,0,0,0,0|1,0,1]=4 4375 B14R1.833 COC(=O)CNc1ccc(c(c1)F)C 2230a_100000210958_100000747449 [0,2,0,0,0,0|1,0,1]=4 4376 B14R1.833 COC(=O)CNc1ccc(c(c1)F)C 34a_100000210958_100000747449 [0,2,0,0,0,0|1,0,1]=4 4377 B14R1.833 COC(=O)CNc1ccc(c(c1)F)C 7a_100000210958_100000747449 [0,2,0,0,0,0|1,0,1]=4 4378 B14R1.833 COC(=O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000747449 [0,2,0,0,0,0|1,0,1]=4 4379 B14R1.833 COC(=O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100000747449 [0,2,0,0,0,0|1,0,1]=4 4380 B14R1.833 COC(=O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000747449 [0,2,0,0,0,0|1,0,1]=4 4381 B14R1.833 COC(=O)CNc1ccc(c(c1)F)F 2230a_100000210724_100000747449 [0,2,0,0,0,0|1,0,1]=4 4382 B14R1.833 COC(=O)CNc1ccc(c(c1)F)F 34a_100000210724_100000747449 [0,2,0,0,0,0|1,0,1]=4 4383 B14R1.833 COC(=O)CNc1ccc(c(c1)F)F 7a_100000210724_100000747449 [0,2,0,0,0,0|1,0,1]=4 4384 B14R1.833 COC(=O)CNc1ccc(c(c1)F)I 34a_100011356925_100000747449 [0,2,0,0,0,0|1,0,1]=4 4385 B14R1.833 COC(=O)CNc1ccc(c(c1)F)I 7a_100011356925_100000747449 [0,2,0,0,0,0|1,0,1]=4 4386 B14R1.833 COC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000747449 [0,2,0,0,0,0|1,0,1]=4 4387 B14R1.833 COC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000747449 [0,2,0,0,0,0|1,0,1]=4 4388 B14R1.833 COC(=O)CNc1ccc(c(c1)I)Br 34a_100000750459_100000747449 [0,2,0,0,0,0|1,0,1]=4 4389 B14R1.833 COC(=O)CNc1ccc(c(c1)I)C 34a_100000184131_100000747449 [0,2,0,0,0,0|1,0,1]=4 4390 B14R1.833 COC(=O)CNc1ccc(c(c1)I)C 7a_100000184131_100000747449 [0,2,0,0,0,0|1,0,1]=4 4391 B14R1.833 COC(=O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000747449 [0,2,0,0,0,0|1,0,1]=4 4392 B14R1.833 COC(=O)CNc1ccc(c(c1)I)F 34a_114828291077_100000747449 [0,2,0,0,0,0|1,0,1]=4 4393 B14R1.833 COC(=O)CNc1ccc(c(c1)I)F 7a_114828291077_100000747449 [0,2,0,0,0,0|1,0,1]=4 4394 B14R1.833 COC(=O)CNc1ccc(c(c1)O)C 34a_100000759471_100000747449 [0,2,0,0,0,0|1,0,1]=4 4395 B14R1.833 COC(=O)CNc1ccc(c(c1)O)C 7a_100000759471_100000747449 [0,2,0,0,0,0|1,0,1]=4 4396 B14R1.833 COC(=O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000747449 [0,2,0,0,0,0|1,0,1]=4 4397 B14R1.833 COC(=O)CNc1ccc(c(c1)O)F 34a_100012017398_100000747449 [0,2,0,0,0,0|1,0,1]=4 4398 B14R1.833 COC(=O)CNc1ccc(c(c1)O)F 7a_100012017398_100000747449 [0,2,0,0,0,0|1,0,1]=4 4399 B14R1.833 COC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000747449 [0,2,0,0,0,0|1,0,1]=4 4400 B14R1.833 COC(=O)COc1ccc(c(c1)Br)C 34a_100011380479_100000747449 [0,2,0,0,0,0|1,0,1]=4 4401 B14R1.833 COC(=O)COc1ccc(c(c1)Br)C 7a_100011380479_100000747449 [0,2,0,0,0,0|1,0,1]=4 4402 B14R1.833 COC(=O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000747449 [0,2,0,0,0,0|1,0,1]=4 4403 B14R1.833 COC(=O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000747449 [0,2,0,0,0,0|1,0,1]=4 4404 B14R1.833 COC(=O)COc1ccc(c(c1)Br)F 34a_100000693481_100000747449 [0,2,0,0,0,0|1,0,1]=4 4405 B14R1.833 COC(=O)COc1ccc(c(c1)Br)F 7a_100000693481_100000747449 [0,2,0,0,0,0|1,0,1]=4 4406 B14R1.833 COC(=O)COc1ccc(c(c1)Br)I 34a_100000701344_100000747449 [0,2,0,0,0,0|1,0,1]=4 4407 B14R1.833 COC(=O)COc1ccc(c(c1)Br)I 7a_100000701344_100000747449 [0,2,0,0,0,0|1,0,1]=4 4408 B14R1.833 COC(=O)COc1ccc(c(c1)Br)N 34a_100012001276_100000747449 [0,2,0,0,0,0|1,0,1]=4 4409 B14R1.833 COC(=O)COc1ccc(c(c1)Br)N 7a_100012001276_100000747449 [0,2,0,0,0,0|1,0,1]=4 4410 B14R1.833 COC(=O)COc1ccc(c(c1)C)Br 34a_100000690111_100000747449 [0,2,0,0,0,0|1,0,1]=4 4411 B14R1.833 COC(=O)COc1ccc(c(c1)C)Br 7a_100000690111_100000747449 [0,2,0,0,0,0|1,0,1]=4 4412 B14R1.833 COC(=O)COc1ccc(c(c1)C)C 34a_100000210932_100000747449 [0,2,0,0,0,0|1,0,1]=4 4413 B14R1.833 COC(=O)COc1ccc(c(c1)C)C 7a_100000210932_100000747449 [0,2,0,0,0,0|1,0,1]=4 4414 B14R1.833 COC(=O)COc1ccc(c(c1)C)Cl 34a_100000211092_100000747449 [0,2,0,0,0,0|1,0,1]=4 4415 B14R1.833 COC(=O)COc1ccc(c(c1)C)Cl 7a_100000211092_100000747449 [0,2,0,0,0,0|1,0,1]=4 4416 B14R1.833 COC(=O)COc1ccc(c(c1)C)F 34a_100000751312_100000747449 [0,2,0,0,0,0|1,0,1]=4 4417 B14R1.833 COC(=O)COc1ccc(c(c1)C)F 7a_100000751312_100000747449 [0,2,0,0,0,0|1,0,1]=4 4418 B14R1.833 COC(=O)COc1ccc(c(c1)C)I 34a_100000729255_100000747449 [0,2,0,0,0,0|1,0,1]=4 4419 B14R1.833 COC(=O)COc1ccc(c(c1)C)I 7a_100000729255_100000747449 [0,2,0,0,0,0|1,0,1]=4 4420 B14R1.833 COC(=O)COc1ccc(c(c1)C)N 34a_100000756630_100000747449 [0,2,0,0,0,0|1,0,1]=4 4421 B14R1.833 COC(=O)COc1ccc(c(c1)C)N 7a_100000756630_100000747449 [0,2,0,0,0,0|1,0,1]=4 4422 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000747449 [0,2,0,0,0,0|1,0,1]=4 4423 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000747449 [0,2,0,0,0,0|1,0,1]=4 4424 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)C 34a_100011265682_100000747449 [0,2,0,0,0,0|1,0,1]=4 4425 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)C 7a_100011265682_100000747449 [0,2,0,0,0,0|1,0,1]=4 4426 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000747449 [0,2,0,0,0,0|1,0,1]=4 4427 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000747449 [0,2,0,0,0,0|1,0,1]=4 4428 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)F 34a_100000211030_100000747449 [0,2,0,0,0,0|1,0,1]=4 4429 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)F 7a_100000211030_100000747449 [0,2,0,0,0,0|1,0,1]=4 4430 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)I 34a_100000047559_100000747449 [0,2,0,0,0,0|1,0,1]=4 4431 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)I 7a_100000047559_100000747449 [0,2,0,0,0,0|1,0,1]=4 4432 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)N 34a_100011215599_100000747449 [0,2,0,0,0,0|1,0,1]=4 4433 B14R1.833 COC(=O)COc1ccc(c(c1)Cl)N 7a_100011215599_100000747449 [0,2,0,0,0,0|1,0,1]=4 4434 B14R1.833 COC(=O)COc1ccc(c(c1)F)Br 34a_100000755031_100000747449 [0,2,0,0,0,0|1,0,1]=4 4435 B14R1.833 COC(=O)COc1ccc(c(c1)F)Br 7a_100000755031_100000747449 [0,2,0,0,0,0|1,0,1]=4 4436 B14R1.833 COC(=O)COc1ccc(c(c1)F)C 34a_100000722560_100000747449 [0,2,0,0,0,0|1,0,1]=4 4437 B14R1.833 COC(=O)COc1ccc(c(c1)F)C 7a_100000722560_100000747449 [0,2,0,0,0,0|1,0,1]=4 4438 B14R1.833 COC(=O)COc1ccc(c(c1)F)Cl 34a_100000691581_100000747449 [0,2,0,0,0,0|1,0,1]=4 4439 B14R1.833 COC(=O)COc1ccc(c(c1)F)Cl 7a_100000691581_100000747449 [0,2,0,0,0,0|1,0,1]=4 4440 B14R1.833 COC(=O)COc1ccc(c(c1)F)F 34a_100000181275_100000747449 [0,2,0,0,0,0|1,0,1]=4 4441 B14R1.833 COC(=O)COc1ccc(c(c1)F)F 7a_100000181275_100000747449 [0,2,0,0,0,0|1,0,1]=4 4442 B14R1.833 COC(=O)COc1ccc(c(c1)F)I 34a_100009990212_100000747449 [0,2,0,0,0,0|1,0,1]=4 4443 B14R1.833 COC(=O)COc1ccc(c(c1)F)I 7a_100009990212_100000747449 [0,2,0,0,0,0|1,0,1]=4 4444 B14R1.833 COC(=O)COc1ccc(c(c1)F)N 34a_100000759473_100000747449 [0,2,0,0,0,0|1,0,1]=4 4445 B14R1.833 COC(=O)COc1ccc(c(c1)F)N 7a_100000759473_100000747449 [0,2,0,0,0,0|1,0,1]=4 4446 B14R1.833 COC(=O)COc1ccc(c(c1)I)Br 34a_100012339312_100000747449 [0,2,0,0,0,0|1,0,1]=4 4447 B14R1.833 COC(=O)COc1ccc(c(c1)I)Br 7a_100012339312_100000747449 [0,2,0,0,0,0|1,0,1]=4 4448 B14R1.833 COC(=O)COc1ccc(c(c1)I)Cl 34a_100000049588_100000747449 [0,2,0,0,0,0|1,0,1]=4 4449 B14R1.833 COC(=O)COc1ccc(c(c1)I)Cl 7a_100000049588_100000747449 [0,2,0,0,0,0|1,0,1]=4 4450 B14R1.833 COC(=O)COc1ccc(c(c1)I)N 34a_100010084370_100000747449 [0,2,0,0,0,0|1,0,1]=4 4451 B14R1.833 COC(=O)COc1ccc(c(c1)I)N 7a_100010084370_100000747449 [0,2,0,0,0,0|1,0,1]=4 4452 B14R1.833 COC(=O)COc1ccc(c(c1)N)Br 34a_100011999798_100000747449 [0,2,0,0,0,0|1,0,1]=4 4453 B14R1.833 COC(=O)COc1ccc(c(c1)N)Br 7a_100011999798_100000747449 [0,2,0,0,0,0|1,0,1]=4 4454 B14R1.833 COC(=O)COc1ccc(c(c1)N)C 34a_100011216113_100000747449 [0,2,0,0,0,0|1,0,1]=4 4455 B14R1.833 COC(=O)COc1ccc(c(c1)N)C 7a_100011216113_100000747449 [0,2,0,0,0,0|1,0,1]=4 4456 B14R1.833 COC(=O)COc1ccc(c(c1)N)Cl 34a_100011934297_100000747449 [0,2,0,0,0,0|1,0,1]=4 4457 B14R1.833 COC(=O)COc1ccc(c(c1)N)F 34a_100012017239_100000747449 [0,2,0,0,0,0|1,0,1]=4 4458 B14R1.833 COC(=O)COc1ccc(c(c1)N)F 7a_100012017239_100000747449 [0,2,0,0,0,0|1,0,1]=4 4459 B14R1.833 COC(=O)COc1ccc(c(c1)N)N 34a_100025771000_100000747449 [0,2,0,0,0,0|1,0,1]=4 4460 B14R1.833 COC(=O)COc1ccc(c(c1)N)O 271570a_203496583355_200010369463 [0,2,0,0,0,0|1,0,1]=4 4461 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)Br 62a_100000747449_100012356285 [0,2,0,0,0,0|1,0,1]=4 4462 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100000747449 [0,2,0,0,0,0|1,0,1]=4 4463 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)C 62a_100000747449_100011847877 [0,2,0,0,0,0|1,0,1]=4 4464 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)C 62a_100011847877_100000747449 [0,2,0,0,0,0|1,0,1]=4 4465 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)Cl 62a_100000747449_100012353702 [0,2,0,0,0,0|1,0,1]=4 4466 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000747449 [0,2,0,0,0,0|1,0,1]=4 4467 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)F 62a_100000747449_100012047266 [0,2,0,0,0,0|1,0,1]=4 4468 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)F 62a_100012047266_100000747449 [0,2,0,0,0,0|1,0,1]=4 4469 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)N 62a_100000747449_100000750455 [0,2,0,0,0,0|1,0,1]=4 4470 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)N 62a_100000750455_100000747449 [0,2,0,0,0,0|1,0,1]=4 4471 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)O 62a_100000747449_100012361655 [0,2,0,0,0,0|1,0,1]=4 4472 B14R1.833 COC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000747449 [0,2,0,0,0,0|1,0,1]=4 4473 B14R1.833 COC(=O)CSc1ccc(c(c1)C)Br 62a_100000747449_100009813585 [0,2,0,0,0,0|1,0,1]=4 4474 B14R1.833 COC(=O)CSc1ccc(c(c1)C)Br 62a_100009813585_100000747449 [0,2,0,0,0,0|1,0,1]=4 4475 B14R1.833 COC(=O)CSc1ccc(c(c1)C)C 62a_100000747449_100011215607 [0,2,0,0,0,0|1,0,1]=4 4476 B14R1.833 COC(=O)CSc1ccc(c(c1)C)C 62a_100011215607_100000747449 [0,2,0,0,0,0|1,0,1]=4 4477 B14R1.833 COC(=O)CSc1ccc(c(c1)C)Cl 62a_100000049509_100000747449 [0,2,0,0,0,0|1,0,1]=4 4478 B14R1.833 COC(=O)CSc1ccc(c(c1)C)Cl 62a_100000747449_100000049509 [0,2,0,0,0,0|1,0,1]=4 4479 B14R1.833 COC(=O)CSc1ccc(c(c1)C)F 62a_100000747449_100011218330 [0,2,0,0,0,0|1,0,1]=4 4480 B14R1.833 COC(=O)CSc1ccc(c(c1)C)F 62a_100011218330_100000747449 [0,2,0,0,0,0|1,0,1]=4 4481 B14R1.833 COC(=O)CSc1ccc(c(c1)C)N 62a_100000211769_100000747449 [0,2,0,0,0,0|1,0,1]=4 4482 B14R1.833 COC(=O)CSc1ccc(c(c1)C)N 62a_100000747449_100000211769 [0,2,0,0,0,0|1,0,1]=4 4483 B14R1.833 COC(=O)CSc1ccc(c(c1)C)O 62a_100000747449_100000186361 [0,2,0,0,0,0|1,0,1]=4 4484 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)Br 62a_100000747449_100012047281 [0,2,0,0,0,0|1,0,1]=4 4485 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100000747449 [0,2,0,0,0,0|1,0,1]=4 4486 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)C 62a_100000747449_100011216363 [0,2,0,0,0,0|1,0,1]=4 4487 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)C 62a_100011216363_100000747449 [0,2,0,0,0,0|1,0,1]=4 4488 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100000747449_100011214914 [0,2,0,0,0,0|1,0,1]=4 4489 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000747449 [0,2,0,0,0,0|1,0,1]=4 4490 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)F 62a_100000747449_100011215976 [0,2,0,0,0,0|1,0,1]=4 4491 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100000747449 [0,2,0,0,0,0|1,0,1]=4 4492 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)N 62a_100000747449_100011218065 [0,2,0,0,0,0|1,0,1]=4 4493 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100000747449 [0,2,0,0,0,0|1,0,1]=4 4494 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)O 62a_100000747449_100012360047 [0,2,0,0,0,0|1,0,1]=4 4495 B14R1.833 COC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000747449 [0,2,0,0,0,0|1,0,1]=4 4496 B14R1.833 COC(=O)CSc1ccc(c(c1)F)Br 62a_100000685389_100000747449 [0,2,0,0,0,0|1,0,1]=4 4497 B14R1.833 COC(=O)CSc1ccc(c(c1)F)Br 62a_100000747449_100000685389 [0,2,0,0,0,0|1,0,1]=4 4498 B14R1.833 COC(=O)CSc1ccc(c(c1)F)C 62a_100000720648_100000747449 [0,2,0,0,0,0|1,0,1]=4 4499 B14R1.833 COC(=O)CSc1ccc(c(c1)F)C 62a_100000747449_100000720648 [0,2,0,0,0,0|1,0,1]=4 4500 B14R1.833 COC(=O)CSc1ccc(c(c1)F)Cl 62a_100000747449_100011216805 [0,2,0,0,0,0|1,0,1]=4 4501 B14R1.833 COC(=O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000747449 [0,2,0,0,0,0|1,0,1]=4 4502 B14R1.833 COC(=O)CSc1ccc(c(c1)F)F 62a_100000703953_100000747449 [0,2,0,0,0,0|1,0,1]=4 4503 B14R1.833 COC(=O)CSc1ccc(c(c1)F)F 62a_100000747449_100000703953 [0,2,0,0,0,0|1,0,1]=4 4504 B14R1.833 COC(=O)CSc1ccc(c(c1)F)N 62a_100000747449_100011215594 [0,2,0,0,0,0|1,0,1]=4 4505 B14R1.833 COC(=O)CSc1ccc(c(c1)F)N 62a_100011215594_100000747449 [0,2,0,0,0,0|1,0,1]=4 4506 B14R1.833 COC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000747449 [0,2,0,0,0,0|1,0,1]=4 4507 B14R1.833 COC(=O)CSc1ccc(c(c1)F)O 62a_100000747449_100000185481 [0,2,0,0,0,0|1,0,1]=4 4508 B14R1.833 COC(=O)CSc1ccc(c(c1)N)Br 62a_100000747449_100000750456 [0,2,0,0,0,0|1,0,1]=4 4509 B14R1.833 COC(=O)CSc1ccc(c(c1)N)Br 62a_100000750456_100000747449 [0,2,0,0,0,0|1,0,1]=4 4510 B14R1.833 COC(=O)CSc1ccc(c(c1)N)C 62a_100000747449_100000761890 [0,2,0,0,0,0|1,0,1]=4 4511 B14R1.833 COC(=O)CSc1ccc(c(c1)N)C 62a_100000761890_100000747449 [0,2,0,0,0,0|1,0,1]=4 4512 B14R1.833 COC(=O)CSc1ccc(c(c1)N)Cl 62a_100000747449_200000761891 [0,2,0,0,0,0|1,0,1]=4 4513 B14R1.833 COC(=O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000747449 [0,2,0,0,0,0|1,0,1]=4 4514 B14R1.833 COC(=O)CSc1ccc(c(c1)N)F 62a_100000740924_100000747449 [0,2,0,0,0,0|1,0,1]=4 4515 B14R1.833 COC(=O)CSc1ccc(c(c1)N)F 62a_100000747449_100000740924 [0,2,0,0,0,0|1,0,1]=4 4516 B14R1.833 COC(=O)CSc1ccc(c(c1)N)N 62a_100000741789_100000747449 [0,2,0,0,0,0|1,0,1]=4 4517 B14R1.833 COC(=O)CSc1ccc(c(c1)N)N 62a_100000747449_100011534411 [0,2,0,0,0,0|1,0,1]=4 4518 B14R1.833 COC(=O)CSc1ccc(c(c1)N)O 62a_100000747449_100000752626 [0,2,0,0,0,0|1,0,1]=4 4519 B14R1.833 COC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000747449 [0,2,0,0,0,0|1,0,1]=4 4520 B14R1.833 COC(=O)CSc1ccc(c(c1)O)Br 62a_100000747449_100012356990 [0,2,0,0,0,0|1,0,1]=4 4521 B14R1.833 COC(=O)CSc1ccc(c(c1)O)Br 62a_100012356990_100000747449 [0,2,0,0,0,0|1,0,1]=4 4522 B14R1.833 COC(=O)CSc1ccc(c(c1)O)C 62a_100000685420_100000747449 [0,2,0,0,0,0|1,0,1]=4 4523 B14R1.833 COC(=O)CSc1ccc(c(c1)O)C 62a_100000747449_100000685420 [0,2,0,0,0,0|1,0,1]=4 4524 B14R1.833 COC(=O)CSc1ccc(c(c1)O)Cl 62a_100000747449_100011356854 [0,2,0,0,0,0|1,0,1]=4 4525 B14R1.833 COC(=O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000747449 [0,2,0,0,0,0|1,0,1]=4 4526 B14R1.833 COC(=O)CSc1ccc(c(c1)O)F 62a_100000686035_100000747449 [0,2,0,0,0,0|1,0,1]=4 4527 B14R1.833 COC(=O)CSc1ccc(c(c1)O)F 62a_100000747449_100000686035 [0,2,0,0,0,0|1,0,1]=4 4528 B14R1.833 COC(=O)CSc1ccc(c(c1)O)N 62a_100000739049_100000747449 [0,2,0,0,0,0|1,0,1]=4 4529 B14R1.833 COC(=O)CSc1ccc(c(c1)O)N 62a_100000747449_100000739049 [0,2,0,0,0,0|1,0,1]=4 4530 B14R1.833 COC(=O)CSc1ccc(c(c1)O)O 62a_100000747449_100009813601 [0,2,0,0,0,0|1,0,1]=4 4531 B14R1.833 Cc1cc(ccc1Cl)C=CC(=O)CBr 6a_100000698814_100009888967 [0,2,0,0,0,0|2,0,0]=4 4532 B14R1.833 Cc1cc(ccc1Cl)C=CC(=O)CCl 6a_100000698814_100000086384 [0,2,0,0,0,0|2,0,0]=4 4533 B14R1.833 Cc1cc(ccc1Cl)C=CC(=O)CF 6a_100000698814_100000764096 [0,2,0,0,0,0|2,0,0]=4 4534 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CBr 6a_100000748208_100009888967 [0,2,0,0,0,0|2,0,0]=4 4535 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CCl 6a_100000748208_100000086384 [0,2,0,0,0,0|2,0,0]=4 4536 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CF 1458a_100016261966_100015361967 [0,2,0,0,0,0|2,0,0]=4 4537 B14R1.833 Cc1cc(ccc1F)C=CC(=O)CF 6a_100000748208_100000764096 [0,2,0,0,0,0|2,0,0]=4 4538 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CBr 6a_100000229942_100009888967 [0,2,0,0,0,0|2,0,0]=4 4539 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CCl 6a_100000229942_100000086384 [0,2,0,0,0,0|2,0,0]=4 4540 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CF 1458a_100011338269_100015361967 [0,2,0,0,0,0|2,0,0]=4 4541 B14R1.833 Cc1ccc(cc1C)C=CC(=O)CF 6a_100000229942_100000764096 [0,2,0,0,0,0|2,0,0]=4 4542 B14R1.833 Cc1ccc(cc1Cl)C=CC(=O)CBr 6a_100000760539_100009888967 [0,2,0,0,0,0|2,0,0]=4 4543 B14R1.833 Cc1ccc(cc1Cl)C=CC(=O)CCl 6a_100000760539_100000086384 [0,2,0,0,0,0|2,0,0]=4 4544 B14R1.833 Cc1ccc(cc1Cl)C=CC(=O)CF 6a_100000760539_100000764096 [0,2,0,0,0,0|2,0,0]=4 4545 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CBr 6a_100000753222_100009888967 [0,2,0,0,0,0|2,0,0]=4 4546 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CCl 6a_100000753222_100000086384 [0,2,0,0,0,0|2,0,0]=4 4547 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CF 1458a_100102526211_100015361967 [0,2,0,0,0,0|2,0,0]=4 4548 B14R1.833 Cc1ccc(cc1F)C=CC(=O)CF 6a_100000753222_100000764096 [0,2,0,0,0,0|2,0,0]=4 4549 B14R1.833 Cc1ccc(cc1I)C=CC(=O)CBr 6a_100010197721_100009888967 [0,2,0,0,0,0|2,0,0]=4 4550 B14R1.833 Cc1ccc(cc1I)C=CC(=O)CCl 6a_100010197721_100000086384 [0,2,0,0,0,0|2,0,0]=4 4551 B14R1.833 Cc1ccc(cc1I)C=CC(=O)CF 6a_100010197721_100000764096 [0,2,0,0,0,0|2,0,0]=4 4552 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)Cl)CBr 6a_100000693810_100009888967 [0,2,0,0,0,0|2,0,0]=4 4553 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)Cl)CCl 6a_100000693810_100000086384 [0,2,0,0,0,0|2,0,0]=4 4554 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)Cl)CF 1458a_100102889548_100015361967 [0,2,0,0,0,0|2,0,0]=4 4555 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)Cl)CF 6a_100000693810_100000764096 [0,2,0,0,0,0|2,0,0]=4 4556 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)F)CBr 6a_100000211747_100009888967 [0,2,0,0,0,0|2,0,0]=4 4557 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)F)CCl 6a_100000211747_100000086384 [0,2,0,0,0,0|2,0,0]=4 4558 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)F)CF 1458a_100011195070_100015361967 [0,2,0,0,0,0|2,0,0]=4 4559 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)F)CF 6a_100000211747_100000764096 [0,2,0,0,0,0|2,0,0]=4 4560 B14R1.833 O=C(C=Cc1ccc(c(c1)Br)O)CF 1458a_200103079279_100015361967 [0,2,0,0,0,0|2,0,0]=4 4561 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)Cl)CBr 6a_100000188533_100009888967 [0,2,0,0,0,0|2,0,0]=4 4562 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCl 6a_100000188533_100000086384 [0,2,0,0,0,0|2,0,0]=4 4563 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)Cl)CF 1458a_100000716972_100015361967 [0,2,0,0,0,0|2,0,0]=4 4564 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)Cl)CF 6a_100000188533_100000764096 [0,2,0,0,0,0|2,0,0]=4 4565 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)F)CBr 6a_100000742290_100009888967 [0,2,0,0,0,0|2,0,0]=4 4566 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)F)CCl 6a_100000742290_100000086384 [0,2,0,0,0,0|2,0,0]=4 4567 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)F)CF 1458a_100102525453_100015361967 [0,2,0,0,0,0|2,0,0]=4 4568 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)F)CF 6a_100000742290_100000764096 [0,2,0,0,0,0|2,0,0]=4 4569 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CBr 6a_100000186751_100009888967 [0,2,0,0,0,0|2,0,0]=4 4570 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CCl 6a_100000186751_100000086384 [0,2,0,0,0,0|2,0,0]=4 4571 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CF 1458a_200103117615_100015361967 [0,2,0,0,0,0|2,0,0]=4 4572 B14R1.833 O=C(C=Cc1ccc(c(c1)Cl)O)CF 6a_100000186751_100000764096 [0,2,0,0,0,0|2,0,0]=4 4573 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Br)CBr 6a_100000686674_100009888967 [0,2,0,0,0,0|2,0,0]=4 4574 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Br)CCl 6a_100000686674_100000086384 [0,2,0,0,0,0|2,0,0]=4 4575 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Br)CF 1458a_100102601611_100015361967 [0,2,0,0,0,0|2,0,0]=4 4576 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Br)CF 6a_100000686674_100000764096 [0,2,0,0,0,0|2,0,0]=4 4577 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Cl)CBr 6a_100000745630_100009888967 [0,2,0,0,0,0|2,0,0]=4 4578 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Cl)CCl 6a_100000745630_100000086384 [0,2,0,0,0,0|2,0,0]=4 4579 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Cl)CF 1458a_100020610926_100015361967 [0,2,0,0,0,0|2,0,0]=4 4580 B14R1.833 O=C(C=Cc1ccc(c(c1)F)Cl)CF 6a_100000745630_100000764096 [0,2,0,0,0,0|2,0,0]=4 4581 B14R1.833 O=C(C=Cc1ccc(c(c1)F)F)CBr 6a_100000211062_100009888967 [0,2,0,0,0,0|2,0,0]=4 4582 B14R1.833 O=C(C=Cc1ccc(c(c1)F)F)CCl 6a_100000211062_100000086384 [0,2,0,0,0,0|2,0,0]=4 4583 B14R1.833 O=C(C=Cc1ccc(c(c1)F)F)CF 1458a_100011195075_100015361967 [0,2,0,0,0,0|2,0,0]=4 4584 B14R1.833 O=C(C=Cc1ccc(c(c1)F)F)CF 6a_100000211062_100000764096 [0,2,0,0,0,0|2,0,0]=4 4585 B14R1.833 O=C(C=Cc1ccc(c(c1)F)I)CBr 6a_100000050832_100009888967 [0,2,0,0,0,0|2,0,0]=4 4586 B14R1.833 O=C(C=Cc1ccc(c(c1)F)I)CCl 6a_100000050832_100000086384 [0,2,0,0,0,0|2,0,0]=4 4587 B14R1.833 O=C(C=Cc1ccc(c(c1)F)I)CF 6a_100000050832_100000764096 [0,2,0,0,0,0|2,0,0]=4 4588 B14R1.833 O=C(C=Cc1ccc(c(c1)F)O)CBr 6a_100000742332_100009888967 [0,2,0,0,0,0|2,0,0]=4 4589 B14R1.833 O=C(C=Cc1ccc(c(c1)F)O)CCl 6a_100000742332_100000086384 [0,2,0,0,0,0|2,0,0]=4 4590 B14R1.833 O=C(C=Cc1ccc(c(c1)F)O)CF 6a_100000742332_100000764096 [0,2,0,0,0,0|2,0,0]=4 4591 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Br)CBr 6a_100010146563_100009888967 [0,2,0,0,0,0|2,0,0]=4 4592 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Br)CCl 6a_100010146563_100000086384 [0,2,0,0,0,0|2,0,0]=4 4593 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Br)CF 6a_100010146563_100000764096 [0,2,0,0,0,0|2,0,0]=4 4594 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Cl)CBr 6a_100010209939_100009888967 [0,2,0,0,0,0|2,0,0]=4 4595 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Cl)CCl 6a_100010209939_100000086384 [0,2,0,0,0,0|2,0,0]=4 4596 B14R1.833 O=C(C=Cc1ccc(c(c1)I)Cl)CF 6a_100010209939_100000764096 [0,2,0,0,0,0|2,0,0]=4 4597 B14R1.833 O=C(C=Cc1ccc(c(c1)I)F)CBr 6a_100010188209_100009888967 [0,2,0,0,0,0|2,0,0]=4 4598 B14R1.833 O=C(C=Cc1ccc(c(c1)I)F)CCl 6a_100010188209_100000086384 [0,2,0,0,0,0|2,0,0]=4 4599 B14R1.833 O=C(C=Cc1ccc(c(c1)I)F)CF 6a_100010188209_100000764096 [0,2,0,0,0,0|2,0,0]=4 4600 B14R1.833 O=C(C=Cc1ccc(c(c1)I)O)CBr 6a_100000186752_100009888967 [0,2,0,0,0,0|2,0,0]=4 4601 B14R1.833 O=C(C=Cc1ccc(c(c1)I)O)CCl 6a_100000186752_100000086384 [0,2,0,0,0,0|2,0,0]=4 4602 B14R1.833 O=C(C=Cc1ccc(c(c1)I)O)CF 6a_100000186752_100000764096 [0,2,0,0,0,0|2,0,0]=4 4603 B14R1.833 O=C(C=Cc1ccc(c(c1)O)Cl)CBr 6a_100009876013_100009888967 [0,2,0,0,0,0|2,0,0]=4 4604 B14R1.833 O=C(C=Cc1ccc(c(c1)O)Cl)CCl 6a_100009876013_100000086384 [0,2,0,0,0,0|2,0,0]=4 4605 B14R1.833 O=C(C=Cc1ccc(c(c1)O)Cl)CF 6a_100009876013_100000764096 [0,2,0,0,0,0|2,0,0]=4 4606 B14R1.833 O=C(C=Cc1ccc(c(c1)O)F)CBr 6a_100000102368_100009888967 [0,2,0,0,0,0|2,0,0]=4 4607 B14R1.833 O=C(C=Cc1ccc(c(c1)O)F)CCl 6a_100000102368_100000086384 [0,2,0,0,0,0|2,0,0]=4 4608 B14R1.833 O=C(C=Cc1ccc(c(c1)O)F)CF 6a_100000102368_100000764096 [0,2,0,0,0,0|2,0,0]=4 4609 B14R1.833 O=C(C=Cc1ccc(c(c1)O)I)CBr 6a_100000041418_100009888967 [0,2,0,0,0,0|2,0,0]=4 4610 B14R1.833 O=C(C=Cc1ccc(c(c1)O)I)CCl 6a_100000041418_100000086384 [0,2,0,0,0,0|2,0,0]=4 4611 B14R1.833 O=C(C=Cc1ccc(c(c1)O)I)CF 6a_100000041418_100000764096 [0,2,0,0,0,0|2,0,0]=4 4612 B14R1.15 CCC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_100000210202 [0,2,0,0,0,0|1,0,0]=3 4613 B14R1.15 CCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100000210202 [0,2,0,0,0,0|1,0,0]=3 4614 B14R1.15 CCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100000210202 [0,2,0,0,0,0|1,0,0]=3 4615 B14R1.15 CCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100000210202 [0,2,0,0,0,0|1,0,0]=3 4616 B14R1.15 CCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100000210202 [0,2,0,0,0,0|1,0,0]=3 4617 B14R1.15 CCC(=O)C=Cc1cccc(c1F)F 6a_100000753312_100000211110 [0,2,0,0,0,0|1,0,0]=3 4618 B14R1.15 CCC(=O)C=Cc1cccc(c1F)I 6a_100010202174_100000211110 [0,2,0,0,0,0|1,0,0]=3 4619 B14R1.15 CCC(=O)C=Cc1cccc(c1I)F 6a_100010186293_100000211110 [0,2,0,0,0,0|1,0,0]=3 4620 B14R1.15 CNC(=O)C=Cc1cccc(c1C)F 11a_106832991635_100102526135 [0,2,0,0,0,0|1,0,0]=3 4621 B14R1.15 CNC(=O)C=Cc1cccc(c1C)F 1626a_100102657272_100102526135 [0,2,0,0,0,0|1,0,0]=3 4622 B14R1.15 CNC(=O)C=Cc1cccc(c1C)F 240690a_100102657272_100102526135 [0,2,0,0,0,0|1,0,0]=3 4623 B14R1.15 CNC(=O)C=Cc1cccc(c1Cl)Cl 11a_106832991635_100000184505 [0,2,0,0,0,0|1,0,0]=3 4624 B14R1.15 CNC(=O)C=Cc1cccc(c1Cl)Cl 1626a_100102657272_100000184505 [0,2,0,0,0,0|1,0,0]=3 4625 B14R1.15 CNC(=O)C=Cc1cccc(c1Cl)Cl 240690a_100102657272_100000184505 [0,2,0,0,0,0|1,0,0]=3 4626 B14R1.15 CNC(=O)C=Cc1cccc(c1F)Br 11a_106832991635_100012351547 [0,2,0,0,0,0|1,0,0]=3 4627 B14R1.15 CNC(=O)C=Cc1cccc(c1F)Br 1626a_100102657272_100012351547 [0,2,0,0,0,0|1,0,0]=3 4628 B14R1.15 CNC(=O)C=Cc1cccc(c1F)Br 240690a_100102657272_100012351547 [0,2,0,0,0,0|1,0,0]=3 4629 B14R1.15 CNC(=O)C=Cc1cccc(c1F)Cl 11a_106832991635_100011217667 [0,2,0,0,0,0|1,0,0]=3 4630 B14R1.15 CNC(=O)C=Cc1cccc(c1F)Cl 1626a_100102657272_100011217667 [0,2,0,0,0,0|1,0,0]=3 4631 B14R1.15 CNC(=O)C=Cc1cccc(c1F)Cl 240690a_100102657272_100011217667 [0,2,0,0,0,0|1,0,0]=3 4632 B14R1.15 CNC(=O)C=Cc1cccc(c1F)F 11a_106832991635_100102526107 [0,2,0,0,0,0|1,0,0]=3 4633 B14R1.15 CNC(=O)C=Cc1cccc(c1F)F 1626a_100102657272_100102526107 [0,2,0,0,0,0|1,0,0]=3 4634 B14R1.15 CNC(=O)C=Cc1cccc(c1F)F 240690a_100102657272_100102526107 [0,2,0,0,0,0|1,0,0]=3 4635 B14R1.15 COC(=O)CNc1cccc(c1Br)C 34a_100000684715_100000747449 [0,2,0,0,0,0|1,0,1]=4 4636 B14R1.15 COC(=O)CNc1cccc(c1Br)Cl 34a_100000687072_100000747449 [0,2,0,0,0,0|1,0,1]=4 4637 B14R1.15 COC(=O)CNc1cccc(c1Br)F 34a_100011934729_100000747449 [0,2,0,0,0,0|1,0,1]=4 4638 B14R1.15 COC(=O)CNc1cccc(c1Br)O 34a_100012183704_100000747449 [0,2,0,0,0,0|1,0,1]=4 4639 B14R1.15 COC(=O)CNc1cccc(c1Br)O 7a_100012183704_100000747449 [0,2,0,0,0,0|1,0,1]=4 4640 B14R1.15 COC(=O)CNc1cccc(c1C)Br 34a_100000750434_100000747449 [0,2,0,0,0,0|1,0,1]=4 4641 B14R1.15 COC(=O)CNc1cccc(c1C)C 2230a_100000210026_100000747449 [0,2,0,0,0,0|1,0,1]=4 4642 B14R1.15 COC(=O)CNc1cccc(c1C)C 34a_100000210026_100000747449 [0,2,0,0,0,0|1,0,1]=4 4643 B14R1.15 COC(=O)CNc1cccc(c1C)C 7a_100000210026_100000747449 [0,2,0,0,0,0|1,0,1]=4 4644 B14R1.15 COC(=O)CNc1cccc(c1C)Cl 2230a_100000210441_100000747449 [0,2,0,0,0,0|1,0,1]=4 4645 B14R1.15 COC(=O)CNc1cccc(c1C)Cl 34a_100000210441_100000747449 [0,2,0,0,0,0|1,0,1]=4 4646 B14R1.15 COC(=O)CNc1cccc(c1C)Cl 7a_100000210441_100000747449 [0,2,0,0,0,0|1,0,1]=4 4647 B14R1.15 COC(=O)CNc1cccc(c1C)F 34a_100000745574_100000747449 [0,2,0,0,0,0|1,0,1]=4 4648 B14R1.15 COC(=O)CNc1cccc(c1C)F 7a_100000745574_100000747449 [0,2,0,0,0,0|1,0,1]=4 4649 B14R1.15 COC(=O)CNc1cccc(c1C)I 34a_100000761887_100000747449 [0,2,0,0,0,0|1,0,1]=4 4650 B14R1.15 COC(=O)CNc1cccc(c1C)O 34a_100011216573_100000747449 [0,2,0,0,0,0|1,0,1]=4 4651 B14R1.15 COC(=O)CNc1cccc(c1C)O 7a_100011216573_100000747449 [0,2,0,0,0,0|1,0,1]=4 4652 B14R1.15 COC(=O)CNc1cccc(c1Cl)Br 34a_100000687075_100000747449 [0,2,0,0,0,0|1,0,1]=4 4653 B14R1.15 COC(=O)CNc1cccc(c1Cl)C 34a_100000765562_100000747449 [0,2,0,0,0,0|1,0,1]=4 4654 B14R1.15 COC(=O)CNc1cccc(c1Cl)C 7a_100000765562_100000747449 [0,2,0,0,0,0|1,0,1]=4 4655 B14R1.15 COC(=O)CNc1cccc(c1Cl)Cl 34a_100000185733_100000747449 [0,2,0,0,0,0|1,0,1]=4 4656 B14R1.15 COC(=O)CNc1cccc(c1Cl)F 34a_100000692321_100000747449 [0,2,0,0,0,0|1,0,1]=4 4657 B14R1.15 COC(=O)CNc1cccc(c1Cl)O 34a_100012002038_100000747449 [0,2,0,0,0,0|1,0,1]=4 4658 B14R1.15 COC(=O)CNc1cccc(c1Cl)O 7a_100012002038_100000747449 [0,2,0,0,0,0|1,0,1]=4 4659 B14R1.15 COC(=O)CNc1cccc(c1F)Br 2230a_100011935091_100000747449 [0,2,0,0,0,0|1,0,1]=4 4660 B14R1.15 COC(=O)CNc1cccc(c1F)Br 34a_100011935091_100000747449 [0,2,0,0,0,0|1,0,1]=4 4661 B14R1.15 COC(=O)CNc1cccc(c1F)C 2230a_100000697159_100000747449 [0,2,0,0,0,0|1,0,1]=4 4662 B14R1.15 COC(=O)CNc1cccc(c1F)C 34a_100000697159_100000747449 [0,2,0,0,0,0|1,0,1]=4 4663 B14R1.15 COC(=O)CNc1cccc(c1F)C 7a_100000697159_100000747449 [0,2,0,0,0,0|1,0,1]=4 4664 B14R1.15 COC(=O)CNc1cccc(c1F)Cl 2230a_100000199060_100000747449 [0,2,0,0,0,0|1,0,1]=4 4665 B14R1.15 COC(=O)CNc1cccc(c1F)Cl 34a_100000199060_100000747449 [0,2,0,0,0,0|1,0,1]=4 4666 B14R1.15 COC(=O)CNc1cccc(c1F)F 34a_100000743855_100000747449 [0,2,0,0,0,0|1,0,1]=4 4667 B14R1.15 COC(=O)CNc1cccc(c1I)Br 34a_100020590159_100000747449 [0,2,0,0,0,0|1,0,1]=4 4668 B14R1.15 COC(=O)CNc1cccc(c1I)C 34a_100000761888_100000747449 [0,2,0,0,0,0|1,0,1]=4 4669 B14R1.15 COC(=O)CNc1cccc(c1I)Cl 34a_100000049713_100000747449 [0,2,0,0,0,0|1,0,1]=4 4670 B14R1.15 COC(=O)CNc1cccc(c1I)F 34a_100000690935_100000747449 [0,2,0,0,0,0|1,0,1]=4 4671 B14R1.15 COC(=O)CNc1cccc(c1O)Br 34a_100011934915_100000747449 [0,2,0,0,0,0|1,0,1]=4 4672 B14R1.15 COC(=O)CNc1cccc(c1O)C 34a_100000756359_100000747449 [0,2,0,0,0,0|1,0,1]=4 4673 B14R1.15 COC(=O)CNc1cccc(c1O)Cl 34a_100000754742_100000747449 [0,2,0,0,0,0|1,0,1]=4 4674 B14R1.15 COC(=O)CNc1cccc(c1O)F 34a_100011934987_100000747449 [0,2,0,0,0,0|1,0,1]=4 4675 B14R1.15 COC(=O)COc1cccc(c1Br)Br 34a_100010187966_100000747449 [0,2,0,0,0,0|1,0,1]=4 4676 B14R1.15 COC(=O)COc1cccc(c1Br)Br 7a_100010187966_100000747449 [0,2,0,0,0,0|1,0,1]=4 4677 B14R1.15 COC(=O)COc1cccc(c1Br)C 34a_100000686692_100000747449 [0,2,0,0,0,0|1,0,1]=4 4678 B14R1.15 COC(=O)COc1cccc(c1Br)C 7a_100000686692_100000747449 [0,2,0,0,0,0|1,0,1]=4 4679 B14R1.15 COC(=O)COc1cccc(c1Br)Cl 34a_100012348804_100000747449 [0,2,0,0,0,0|1,0,1]=4 4680 B14R1.15 COC(=O)COc1cccc(c1Br)Cl 7a_100012348804_100000747449 [0,2,0,0,0,0|1,0,1]=4 4681 B14R1.15 COC(=O)COc1cccc(c1Br)F 34a_100009820682_100000747449 [0,2,0,0,0,0|1,0,1]=4 4682 B14R1.15 COC(=O)COc1cccc(c1Br)F 7a_100009820682_100000747449 [0,2,0,0,0,0|1,0,1]=4 4683 B14R1.15 COC(=O)COc1cccc(c1Br)I 34a_100010187914_100000747449 [0,2,0,0,0,0|1,0,1]=4 4684 B14R1.15 COC(=O)COc1cccc(c1Br)I 7a_100010187914_100000747449 [0,2,0,0,0,0|1,0,1]=4 4685 B14R1.15 COC(=O)COc1cccc(c1Br)N 34a_100012183704_100000747449 [0,2,0,0,0,0|1,0,1]=4 4686 B14R1.15 COC(=O)COc1cccc(c1Br)N 7a_100012183704_100000747449 [0,2,0,0,0,0|1,0,1]=4 4687 B14R1.15 COC(=O)COc1cccc(c1C)Br 34a_100012002258_100000747449 [0,2,0,0,0,0|1,0,1]=4 4688 B14R1.15 COC(=O)COc1cccc(c1C)Br 7a_100012002258_100000747449 [0,2,0,0,0,0|1,0,1]=4 4689 B14R1.15 COC(=O)COc1cccc(c1C)C 34a_100000185855_100000747449 [0,2,0,0,0,0|1,0,1]=4 4690 B14R1.15 COC(=O)COc1cccc(c1C)C 7a_100000185855_100000747449 [0,2,0,0,0,0|1,0,1]=4 4691 B14R1.15 COC(=O)COc1cccc(c1C)Cl 34a_100011265684_100000747449 [0,2,0,0,0,0|1,0,1]=4 4692 B14R1.15 COC(=O)COc1cccc(c1C)Cl 7a_100011265684_100000747449 [0,2,0,0,0,0|1,0,1]=4 4693 B14R1.15 COC(=O)COc1cccc(c1C)F 34a_100011217231_100000747449 [0,2,0,0,0,0|1,0,1]=4 4694 B14R1.15 COC(=O)COc1cccc(c1C)F 7a_100011217231_100000747449 [0,2,0,0,0,0|1,0,1]=4 4695 B14R1.15 COC(=O)COc1cccc(c1C)N 34a_100011216573_100000747449 [0,2,0,0,0,0|1,0,1]=4 4696 B14R1.15 COC(=O)COc1cccc(c1C)N 7a_100011216573_100000747449 [0,2,0,0,0,0|1,0,1]=4 4697 B14R1.15 COC(=O)COc1cccc(c1Cl)Br 34a_100010187913_100000747449 [0,2,0,0,0,0|1,0,1]=4 4698 B14R1.15 COC(=O)COc1cccc(c1Cl)Br 7a_100010187913_100000747449 [0,2,0,0,0,0|1,0,1]=4 4699 B14R1.15 COC(=O)COc1cccc(c1Cl)C 34a_100000695629_100000747449 [0,2,0,0,0,0|1,0,1]=4 4700 B14R1.15 COC(=O)COc1cccc(c1Cl)C 7a_100000695629_100000747449 [0,2,0,0,0,0|1,0,1]=4 4701 B14R1.15 COC(=O)COc1cccc(c1Cl)Cl 34a_100000211076_100000747449 [0,2,0,0,0,0|1,0,1]=4 4702 B14R1.15 COC(=O)COc1cccc(c1Cl)Cl 7a_100000211076_100000747449 [0,2,0,0,0,0|1,0,1]=4 4703 B14R1.15 COC(=O)COc1cccc(c1Cl)F 34a_100000087408_100000747449 [0,2,0,0,0,0|1,0,1]=4 4704 B14R1.15 COC(=O)COc1cccc(c1Cl)F 7a_100000087408_100000747449 [0,2,0,0,0,0|1,0,1]=4 4705 B14R1.15 COC(=O)COc1cccc(c1Cl)I 34a_100000049636_100000747449 [0,2,0,0,0,0|1,0,1]=4 4706 B14R1.15 COC(=O)COc1cccc(c1Cl)I 7a_100000049636_100000747449 [0,2,0,0,0,0|1,0,1]=4 4707 B14R1.15 COC(=O)COc1cccc(c1Cl)N 34a_100012002038_100000747449 [0,2,0,0,0,0|1,0,1]=4 4708 B14R1.15 COC(=O)COc1cccc(c1Cl)N 7a_100012002038_100000747449 [0,2,0,0,0,0|1,0,1]=4 4709 B14R1.15 COC(=O)COc1cccc(c1F)Br 34a_100009817021_100000747449 [0,2,0,0,0,0|1,0,1]=4 4710 B14R1.15 COC(=O)COc1cccc(c1F)Br 7a_100009817021_100000747449 [0,2,0,0,0,0|1,0,1]=4 4711 B14R1.15 COC(=O)COc1cccc(c1F)C 34a_100000751311_100000747449 [0,2,0,0,0,0|1,0,1]=4 4712 B14R1.15 COC(=O)COc1cccc(c1F)C 7a_100000751311_100000747449 [0,2,0,0,0,0|1,0,1]=4 4713 B14R1.15 COC(=O)COc1cccc(c1F)Cl 34a_100000687438_100000747449 [0,2,0,0,0,0|1,0,1]=4 4714 B14R1.15 COC(=O)COc1cccc(c1F)Cl 7a_100000687438_100000747449 [0,2,0,0,0,0|1,0,1]=4 4715 B14R1.15 COC(=O)COc1cccc(c1F)F 34a_100000751161_100000747449 [0,2,0,0,0,0|1,0,1]=4 4716 B14R1.15 COC(=O)COc1cccc(c1F)F 7a_100000751161_100000747449 [0,2,0,0,0,0|1,0,1]=4 4717 B14R1.15 COC(=O)COc1cccc(c1I)Br 34a_100010187912_100000747449 [0,2,0,0,0,0|1,0,1]=4 4718 B14R1.15 COC(=O)COc1cccc(c1I)Br 7a_100010187912_100000747449 [0,2,0,0,0,0|1,0,1]=4 4719 B14R1.15 COC(=O)COc1cccc(c1I)C 34a_100010083724_100000747449 [0,2,0,0,0,0|1,0,1]=4 4720 B14R1.15 COC(=O)COc1cccc(c1I)C 7a_100010083724_100000747449 [0,2,0,0,0,0|1,0,1]=4 4721 B14R1.15 COC(=O)COc1cccc(c1I)Cl 34a_100000050174_100000747449 [0,2,0,0,0,0|1,0,1]=4 4722 B14R1.15 COC(=O)COc1cccc(c1I)Cl 7a_100000050174_100000747449 [0,2,0,0,0,0|1,0,1]=4 4723 B14R1.15 COC(=O)COc1cccc(c1I)F 34a_100000690913_100000747449 [0,2,0,0,0,0|1,0,1]=4 4724 B14R1.15 COC(=O)COc1cccc(c1I)F 7a_100000690913_100000747449 [0,2,0,0,0,0|1,0,1]=4 4725 B14R1.15 COC(=O)COc1cccc(c1N)Br 34a_100011934926_100000747449 [0,2,0,0,0,0|1,0,1]=4 4726 B14R1.15 COC(=O)COc1cccc(c1N)Br 7a_100011934926_100000747449 [0,2,0,0,0,0|1,0,1]=4 4727 B14R1.15 COC(=O)COc1cccc(c1N)C 34a_100000743429_100000747449 [0,2,0,0,0,0|1,0,1]=4 4728 B14R1.15 COC(=O)COc1cccc(c1N)C 7a_100000743429_100000747449 [0,2,0,0,0,0|1,0,1]=4 4729 B14R1.15 COC(=O)COc1cccc(c1N)Cl 34a_100012022510_100000747449 [0,2,0,0,0,0|1,0,1]=4 4730 B14R1.15 COC(=O)COc1cccc(c1N)Cl 7a_100012022510_100000747449 [0,2,0,0,0,0|1,0,1]=4 4731 B14R1.15 COC(=O)COc1cccc(c1N)F 34a_100020591140_100000747449 [0,2,0,0,0,0|1,0,1]=4 4732 B14R1.15 COC(=O)COc1cccc(c1N)F 7a_100020591140_100000747449 [0,2,0,0,0,0|1,0,1]=4 4733 B14R1.15 COC(=O)COc1cccc(c1N)I 34a_200000049512_100000747449 [0,2,0,0,0,0|1,0,1]=4 4734 B14R1.15 COC(=O)COc1cccc(c1N)I 7a_200000049512_100000747449 [0,2,0,0,0,0|1,0,1]=4 4735 B14R1.15 COC(=O)COc1cccc(c1N)N 34a_100000033209_100000747449 [0,2,0,0,0,0|1,0,1]=4 4736 B14R1.15 COC(=O)CSc1cccc(c1Br)Br 62a_100000747449_100010175083 [0,2,0,0,0,0|1,0,1]=4 4737 B14R1.15 COC(=O)CSc1cccc(c1Br)Br 62a_100010175083_100000747449 [0,2,0,0,0,0|1,0,1]=4 4738 B14R1.15 COC(=O)CSc1cccc(c1Br)C 62a_100000747449_100012362457 [0,2,0,0,0,0|1,0,1]=4 4739 B14R1.15 COC(=O)CSc1cccc(c1Br)C 62a_100012362457_100000747449 [0,2,0,0,0,0|1,0,1]=4 4740 B14R1.15 COC(=O)CSc1cccc(c1Br)Cl 62a_100000747449_100014021842 [0,2,0,0,0,0|1,0,1]=4 4741 B14R1.15 COC(=O)CSc1cccc(c1Br)Cl 62a_100014021842_100000747449 [0,2,0,0,0,0|1,0,1]=4 4742 B14R1.15 COC(=O)CSc1cccc(c1Br)F 62a_100000747449_100010202630 [0,2,0,0,0,0|1,0,1]=4 4743 B14R1.15 COC(=O)CSc1cccc(c1Br)F 62a_100010202630_100000747449 [0,2,0,0,0,0|1,0,1]=4 4744 B14R1.15 COC(=O)CSc1cccc(c1Br)O 62a_100000747449_100010187914 [0,2,0,0,0,0|1,0,1]=4 4745 B14R1.15 COC(=O)CSc1cccc(c1Br)O 62a_100010187914_100000747449 [0,2,0,0,0,0|1,0,1]=4 4746 B14R1.15 COC(=O)CSc1cccc(c1C)Br 62a_100000747449_100012353703 [0,2,0,0,0,0|1,0,1]=4 4747 B14R1.15 COC(=O)CSc1cccc(c1C)Br 62a_100012353703_100000747449 [0,2,0,0,0,0|1,0,1]=4 4748 B14R1.15 COC(=O)CSc1cccc(c1C)C 62a_100000747449_100011214922 [0,2,0,0,0,0|1,0,1]=4 4749 B14R1.15 COC(=O)CSc1cccc(c1C)C 62a_100011214922_100000747449 [0,2,0,0,0,0|1,0,1]=4 4750 B14R1.15 COC(=O)CSc1cccc(c1C)Cl 62a_100000726075_100000747449 [0,2,0,0,0,0|1,0,1]=4 4751 B14R1.15 COC(=O)CSc1cccc(c1C)Cl 62a_100000747449_100000726075 [0,2,0,0,0,0|1,0,1]=4 4752 B14R1.15 COC(=O)CSc1cccc(c1C)F 62a_100000747449_100011216893 [0,2,0,0,0,0|1,0,1]=4 4753 B14R1.15 COC(=O)CSc1cccc(c1C)F 62a_100011216893_100000747449 [0,2,0,0,0,0|1,0,1]=4 4754 B14R1.15 COC(=O)CSc1cccc(c1C)N 62a_100000747449_100000761887 [0,2,0,0,0,0|1,0,1]=4 4755 B14R1.15 COC(=O)CSc1cccc(c1C)N 62a_100000761887_100000747449 [0,2,0,0,0,0|1,0,1]=4 4756 B14R1.15 COC(=O)CSc1cccc(c1C)O 62a_100000747449_100012002258 [0,2,0,0,0,0|1,0,1]=4 4757 B14R1.15 COC(=O)CSc1cccc(c1C)O 62a_100012002258_100000747449 [0,2,0,0,0,0|1,0,1]=4 4758 B14R1.15 COC(=O)CSc1cccc(c1Cl)Br 62a_100000747449_100010142854 [0,2,0,0,0,0|1,0,1]=4 4759 B14R1.15 COC(=O)CSc1cccc(c1Cl)Br 62a_100010142854_100000747449 [0,2,0,0,0,0|1,0,1]=4 4760 B14R1.15 COC(=O)CSc1cccc(c1Cl)C 62a_100000747449_200012352035 [0,2,0,0,0,0|1,0,1]=4 4761 B14R1.15 COC(=O)CSc1cccc(c1Cl)C 62a_200012352035_100000747449 [0,2,0,0,0,0|1,0,1]=4 4762 B14R1.15 COC(=O)CSc1cccc(c1Cl)Cl 62a_100000747449_100011215384 [0,2,0,0,0,0|1,0,1]=4 4763 B14R1.15 COC(=O)CSc1cccc(c1Cl)Cl 62a_100011215384_100000747449 [0,2,0,0,0,0|1,0,1]=4 4764 B14R1.15 COC(=O)CSc1cccc(c1Cl)F 62a_100000747449_200010234923 [0,2,0,0,0,0|1,0,1]=4 4765 B14R1.15 COC(=O)CSc1cccc(c1Cl)F 62a_200010234923_100000747449 [0,2,0,0,0,0|1,0,1]=4 4766 B14R1.15 COC(=O)CSc1cccc(c1Cl)O 62a_100000747449_100000049636 [0,2,0,0,0,0|1,0,1]=4 4767 B14R1.15 COC(=O)CSc1cccc(c1F)Br 62a_100000702267_100000747449 [0,2,0,0,0,0|1,0,1]=4 4768 B14R1.15 COC(=O)CSc1cccc(c1F)Br 62a_100000747449_100000702267 [0,2,0,0,0,0|1,0,1]=4 4769 B14R1.15 COC(=O)CSc1cccc(c1F)C 62a_100000717567_100000747449 [0,2,0,0,0,0|1,0,1]=4 4770 B14R1.15 COC(=O)CSc1cccc(c1F)C 62a_100000747449_100000717567 [0,2,0,0,0,0|1,0,1]=4 4771 B14R1.15 COC(=O)CSc1cccc(c1F)Cl 62a_100000747449_100011217346 [0,2,0,0,0,0|1,0,1]=4 4772 B14R1.15 COC(=O)CSc1cccc(c1F)Cl 62a_100011217346_100000747449 [0,2,0,0,0,0|1,0,1]=4 4773 B14R1.15 COC(=O)CSc1cccc(c1F)F 62a_100000694657_100000747449 [0,2,0,0,0,0|1,0,1]=4 4774 B14R1.15 COC(=O)CSc1cccc(c1F)F 62a_100000747449_100000694657 [0,2,0,0,0,0|1,0,1]=4 4775 B14R1.15 COC(=O)CSc1cccc(c1F)N 62a_100000747449_100011935091 [0,2,0,0,0,0|1,0,1]=4 4776 B14R1.15 COC(=O)CSc1cccc(c1F)N 62a_100011935091_100000747449 [0,2,0,0,0,0|1,0,1]=4 4777 B14R1.15 COC(=O)CSc1cccc(c1F)O 62a_100000747449_100009817021 [0,2,0,0,0,0|1,0,1]=4 4778 B14R1.15 COC(=O)CSc1cccc(c1F)O 62a_100009817021_100000747449 [0,2,0,0,0,0|1,0,1]=4 4779 B14R1.15 COC(=O)CSc1cccc(c1N)Br 62a_100000747449_100010146558 [0,2,0,0,0,0|1,0,1]=4 4780 B14R1.15 COC(=O)CSc1cccc(c1N)Br 62a_100010146558_100000747449 [0,2,0,0,0,0|1,0,1]=4 4781 B14R1.15 COC(=O)CSc1cccc(c1N)C 62a_100000747449_100011834072 [0,2,0,0,0,0|1,0,1]=4 4782 B14R1.15 COC(=O)CSc1cccc(c1N)C 62a_100011834072_100000747449 [0,2,0,0,0,0|1,0,1]=4 4783 B14R1.15 COC(=O)CSc1cccc(c1N)Cl 62a_100000747449_100010190421 [0,2,0,0,0,0|1,0,1]=4 4784 B14R1.15 COC(=O)CSc1cccc(c1N)Cl 62a_100010190421_100000747449 [0,2,0,0,0,0|1,0,1]=4 4785 B14R1.15 COC(=O)CSc1cccc(c1N)F 62a_100000042321_100000747449 [0,2,0,0,0,0|1,0,1]=4 4786 B14R1.15 COC(=O)CSc1cccc(c1N)F 62a_100000747449_100000042321 [0,2,0,0,0,0|1,0,1]=4 4787 B14R1.15 COC(=O)CSc1cccc(c1N)N 62a_100015191791_100000747449 [0,2,0,0,0,0|1,0,1]=4 4788 B14R1.15 COC(=O)CSc1cccc(c1N)O 62a_100000747449_100011934926 [0,2,0,0,0,0|1,0,1]=4 4789 B14R1.15 COC(=O)CSc1cccc(c1O)Br 62a_100000747449_100010084509 [0,2,0,0,0,0|1,0,1]=4 4790 B14R1.15 COC(=O)CSc1cccc(c1O)Br 62a_100010084509_100000747449 [0,2,0,0,0,0|1,0,1]=4 4791 B14R1.15 COC(=O)CSc1cccc(c1O)C 62a_100000747449_100009817157 [0,2,0,0,0,0|1,0,1]=4 4792 B14R1.15 COC(=O)CSc1cccc(c1O)C 62a_100009817157_100000747449 [0,2,0,0,0,0|1,0,1]=4 4793 B14R1.15 COC(=O)CSc1cccc(c1O)Cl 62a_100000747449_100010202889 [0,2,0,0,0,0|1,0,1]=4 4794 B14R1.15 COC(=O)CSc1cccc(c1O)Cl 62a_100010202889_100000747449 [0,2,0,0,0,0|1,0,1]=4 4795 B14R1.15 COC(=O)CSc1cccc(c1O)F 62a_100000747449_100009813666 [0,2,0,0,0,0|1,0,1]=4 4796 B14R1.15 COC(=O)CSc1cccc(c1O)F 62a_100009813666_100000747449 [0,2,0,0,0,0|1,0,1]=4 4797 B14R1.15 COC(=O)CSc1cccc(c1O)N 62a_100000747449_100010084371 [0,2,0,0,0,0|1,0,1]=4 4798 B14R1.15 COC(=O)CSc1cccc(c1O)N 62a_100011934915_100000747449 [0,2,0,0,0,0|1,0,1]=4 4799 B14R1.15 COC(=O)CSc1cccc(c1O)O 62a_100000747449_100009815950 [0,2,0,0,0,0|1,0,1]=4 4800 B14R1.15 Cc1c(cccc1C=CC(=O)CF)F 1458a_100102526135_100015361967 [0,2,0,0,0,0|2,0,0]=4 4801 B14R1.15 O=C(C=Cc1cccc(c1Cl)Cl)CF 1458a_100000184505_100015361967 [0,2,0,0,0,0|2,0,0]=4 4802 B14R1.15 O=C(C=Cc1cccc(c1F)Br)CF 1458a_100012351547_100015361967 [0,2,0,0,0,0|2,0,0]=4 4803 B14R1.15 O=C(C=Cc1cccc(c1F)Cl)CF 1458a_100011217667_100015361967 [0,2,0,0,0,0|2,0,0]=4 4804 B14R1.15 O=C(C=Cc1cccc(c1F)F)CBr 6a_100000753312_100009888967 [0,2,0,0,0,0|2,0,0]=4 4805 B14R1.15 O=C(C=Cc1cccc(c1F)F)CCl 6a_100000753312_100000086384 [0,2,0,0,0,0|2,0,0]=4 4806 B14R1.15 O=C(C=Cc1cccc(c1F)F)CF 1458a_100102526107_100015361967 [0,2,0,0,0,0|2,0,0]=4 4807 B14R1.15 O=C(C=Cc1cccc(c1F)F)CF 6a_100000753312_100000764096 [0,2,0,0,0,0|2,0,0]=4 4808 B14R1.15 O=C(C=Cc1cccc(c1F)I)CBr 6a_100010202174_100009888967 [0,2,0,0,0,0|2,0,0]=4 4809 B14R1.15 O=C(C=Cc1cccc(c1F)I)CCl 6a_100010202174_100000086384 [0,2,0,0,0,0|2,0,0]=4 4810 B14R1.15 O=C(C=Cc1cccc(c1F)I)CF 6a_100010202174_100000764096 [0,2,0,0,0,0|2,0,0]=4 4811 B14R1.15 O=C(C=Cc1cccc(c1I)F)CBr 6a_100010186293_100009888967 [0,2,0,0,0,0|2,0,0]=4 4812 B14R1.15 O=C(C=Cc1cccc(c1I)F)CCl 6a_100010186293_100000086384 [0,2,0,0,0,0|2,0,0]=4 4813 B14R1.15 O=C(C=Cc1cccc(c1I)F)CF 6a_100010186293_100000764096 [0,2,0,0,0,0|2,0,0]=4 4814 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000184674 [0,2,0,0,0,0|1,0,1]=4 4815 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000184674 [0,2,0,0,0,0|1,0,1]=4 4816 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000184674 [0,2,0,0,0,0|1,0,1]=4 4817 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000184674 [0,2,0,0,0,0|1,0,1]=4 4818 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000184674 [0,2,0,0,0,0|1,0,1]=4 4819 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210623 [0,2,0,0,0,0|1,0,1]=4 4820 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210623 [0,2,0,0,0,0|1,0,1]=4 4821 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210623 [0,2,0,0,0,0|1,0,1]=4 4822 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210623 [0,2,0,0,0,0|1,0,1]=4 4823 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210623 [0,2,0,0,0,0|1,0,1]=4 4824 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210303 [0,2,0,0,0,0|1,0,0]=3 4825 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011215381 [0,2,0,0,0,0|1,0,0]=3 4826 B14R1.32 CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210303 [0,2,0,0,0,0|1,0,0]=3 4827 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210303 [0,2,0,0,0,0|1,0,0]=3 4828 B14R1.32 CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210303 [0,2,0,0,0,0|1,0,0]=3 4829 B14R1.32 CCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011215381 [0,2,0,0,0,0|1,0,0]=3 4830 B14R1.32 CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210303 [0,2,0,0,0,0|1,0,0]=3 4831 B14R1.32 CCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011215381 [0,2,0,0,0,0|1,0,0]=3 4832 B14R1.32 CCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100011215381 [0,2,0,0,0,0|2,0,0]=4 4833 B14R1.32 CCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100011215381 [0,2,0,0,0,0|2,0,0]=4 4834 B14R1.32 CCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100011215381 [0,2,0,0,0,0|2,0,0]=4 4835 B14R1.32 CCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100011215381 [0,2,0,0,0,0|2,0,0]=4 4836 B14R1.32 CCNC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266304 [0,2,0,0,0,0|1,0,0]=3 4837 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Br 11a_100015525214_100016258244 [0,2,0,0,0,0|1,0,0]=3 4838 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Br 240690a_100015525214_100016258244 [0,2,0,0,0,0|1,0,0]=3 4839 B14R1.32 CCNC(=O)C=Cc1cccc(c1)C 11a_100015525214_100000690095 [0,2,0,0,0,0|1,0,0]=3 4840 B14R1.32 CCNC(=O)C=Cc1cccc(c1)C 240690a_100015525214_100000690095 [0,2,0,0,0,0|1,0,0]=3 4841 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl 11a_100015525214_100000184502 [0,2,0,0,0,0|1,0,0]=3 4842 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100015525214_100000184502 [0,2,0,0,0,0|1,0,0]=3 4843 B14R1.32 CCNC(=O)C=Cc1cccc(c1)F 11a_100015525214_100000718793 [0,2,0,0,0,0|1,0,0]=3 4844 B14R1.32 CCNC(=O)C=Cc1cccc(c1)F 240690a_100015525214_100000718793 [0,2,0,0,0,0|1,0,0]=3 4845 B14R1.32 CCNC(=O)C=Cc1cccc(c1)I 11a_100015525214_100020647043 [0,2,0,0,0,0|1,0,0]=3 4846 B14R1.32 CCNC(=O)C=Cc1cccc(c1)I 240690a_100015525214_100020647043 [0,2,0,0,0,0|1,0,0]=3 4847 B14R1.32 CCOC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016304034 [0,2,0,0,0,0|0,0,0]=2 4848 B14R1.32 CCOC(=O)C=Cc1c[n+](ccn1)[O-] 271570a_100010199719_100009880115 [0,2,0,0,0,0|2,0,0]=4 4849 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)C 271570a_100010199719_100000750283 [0,2,0,0,0,0|1,0,0]=3 4850 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)Cl 271570a_100010199719_100010167805 [0,2,0,0,0,0|1,0,0]=3 4851 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)F 271570a_100010199719_100009817058 [0,2,0,0,0,0|1,0,0]=3 4852 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)N 271570a_100010199719_100009814236 [0,2,0,0,0,0|1,0,0]=3 4853 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)O 271570a_100010199719_100000762945 [0,2,0,0,0,0|1,0,0]=3 4854 B14R1.32 CCOC(=O)C=Cc1cc(cnn1)C 271570a_100010199719_100000070100 [0,2,0,0,0,0|2,0,0]=4 4855 B14R1.32 CCOC(=O)C=Cc1cc(cnn1)O 271570a_100010199719_200010734679 [0,2,0,0,0,0|2,0,0]=4 4856 B14R1.32 CCOC(=O)C=Cc1cc(ncn1)C 271570a_100010199719_100000744208 [0,2,0,0,0,0|2,0,0]=4 4857 B14R1.32 CCOC(=O)C=Cc1cc(ncn1)F 271570a_100010199719_200009880791 [0,2,0,0,0,0|2,0,0]=4 4858 B14R1.32 CCOC(=O)C=Cc1cc(ncn1)N 271570a_100010199719_100000701291 [0,2,0,0,0,0|2,0,0]=4 4859 B14R1.32 CCOC(=O)C=Cc1cc(ncn1)O 271570a_100010199719_100000765262 [0,2,0,0,0,0|2,0,0]=4 4860 B14R1.32 CCOC(=O)C=Cc1cc[nH]c(=O)c1 271570a_100010199719_100009816521 [0,2,0,0,0,0|1,0,0]=3 4861 B14R1.32 CCOC(=O)C=Cc1cc[nH]c(=O)n1 271570a_100010199719_200000134032 [0,2,0,0,0,0|2,0,0]=4 4862 B14R1.32 CCOC(=O)C=Cc1ccc[n+](c1)C 271570a_100010199719_100009996589 [0,2,0,0,0,0|1,0,0]=3 4863 B14R1.32 CCOC(=O)C=Cc1ccc[n+](c1)[O-] 271570a_100010199719_100009815978 [0,2,0,0,0,0|1,0,0]=3 4864 B14R1.32 CCOC(=O)C=Cc1cccc(=O)[nH]1 271570a_100010199719_100000761760 [0,2,0,0,0,0|1,0,0]=3 4865 B14R1.32 CCOC(=O)C=Cc1cccc(c1)Br 271570a_100010199719_100000691529 [0,2,0,0,0,0|0,0,0]=2 4866 B14R1.32 CCOC(=O)C=Cc1cccc(c1)C 271570a_100010199719_100011215228 [0,2,0,0,0,0|0,0,0]=2 4867 B14R1.32 CCOC(=O)C=Cc1cccc(c1)Cl 271570a_100010199719_100000699651 [0,2,0,0,0,0|0,0,0]=2 4868 B14R1.32 CCOC(=O)C=Cc1cccc(c1)F 271570a_100010199719_100000685547 [0,2,0,0,0,0|0,0,0]=2 4869 B14R1.32 CCOC(=O)C=Cc1cccc(c1)N 271570a_100010199719_100000210019 [0,2,0,0,0,0|0,0,0]=2 4870 B14R1.32 CCOC(=O)C=Cc1cccc(c1)O 271570a_100010199719_100000211634 [0,2,0,0,0,0|0,0,0]=2 4871 B14R1.32 CCOC(=O)C=Cc1cccc(c1)[S] 271570a_100010199719_114929384022 [0,2,0,0,0,0|0,0,0]=2 4872 B14R1.32 CCOC(=O)C=Cc1cccc(n1)Br 271570a_100010199719_100000684672 [0,2,0,0,0,0|1,0,0]=3 4873 B14R1.32 CCOC(=O)C=Cc1cccc(n1)C 271570a_100010199719_100000742759 [0,2,0,0,0,0|1,0,0]=3 4874 B14R1.32 CCOC(=O)C=Cc1cccc(n1)F 271570a_100010199719_100009815982 [0,2,0,0,0,0|1,0,0]=3 4875 B14R1.32 CCOC(=O)C=Cc1cccc(n1)N 271570a_100010199719_100000740741 [0,2,0,0,0,0|1,0,0]=3 4876 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)Br 271570a_100010199719_100009814637 [0,2,0,0,0,0|1,0,0]=3 4877 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)C 271570a_100010199719_100000758586 [0,2,0,0,0,0|1,0,0]=3 4878 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)Cl 271570a_100010199719_100000035001 [0,2,0,0,0,0|1,0,0]=3 4879 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)F 271570a_100010199719_100009816116 [0,2,0,0,0,0|1,0,0]=3 4880 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)N 271570a_100010199719_100000744379 [0,2,0,0,0,0|1,0,0]=3 4881 B14R1.32 CCOC(=O)C=Cc1ccnc(n1)C 271570a_100010199719_100000749937 [0,2,0,0,0,0|2,0,0]=4 4882 B14R1.32 CCOC(=O)C=Cc1ccnc(n1)N 271570a_100010199719_100009820717 [0,2,0,0,0,0|2,0,0]=4 4883 B14R1.32 CCOC(=O)C=Cc1cn[nH]c(=O)c1 271570a_100010199719_100010197405 [0,2,0,0,0,0|2,0,0]=4 4884 B14R1.32 CCOC(=O)C=Cc1cncc(c1)Br 271570a_100010199719_100000728054 [0,2,0,0,0,0|1,0,0]=3 4885 B14R1.32 CCOC(=O)C=Cc1cncc(c1)C 271570a_100010199719_100000760492 [0,2,0,0,0,0|1,0,0]=3 4886 B14R1.32 CCOC(=O)C=Cc1cncc(c1)Cl 271570a_100010199719_100000049639 [0,2,0,0,0,0|1,0,0]=3 4887 B14R1.32 CCOC(=O)C=Cc1cncc(c1)F 271570a_100010199719_100000744099 [0,2,0,0,0,0|1,0,0]=3 4888 B14R1.32 CCOC(=O)C=Cc1cncc(c1)N 271570a_100010199719_100000687067 [0,2,0,0,0,0|1,0,0]=3 4889 B14R1.32 CCOC(=O)C=Cc1cncc(c1)O 271570a_100010199719_100000754920 [0,2,0,0,0,0|1,0,0]=3 4890 B14R1.32 CCOC(=O)C=Cc1cncc(n1)C 271570a_100010199719_100009842155 [0,2,0,0,0,0|2,0,0]=4 4891 B14R1.32 CCOC(=O)C=Cc1cncc(n1)F 271570a_100010199719_200009863489 [0,2,0,0,0,0|2,0,0]=4 4892 B14R1.32 CCOC(=O)C=Cc1cncc(n1)N 271570a_100010199719_100009819714 [0,2,0,0,0,0|2,0,0]=4 4893 B14R1.32 CCOC(=O)C=Cc1cncc(n1)O 271570a_100010199719_100011269956 [0,2,0,0,0,0|2,0,0]=4 4894 B14R1.32 CCOC(=O)C=Cc1cnnc(c1)N 271570a_100010199719_100000130277 [0,2,0,0,0,0|2,0,0]=4 4895 B14R1.32 CCOC(=O)C=Cc1nccc(n1)C 271570a_100010199719_100011243806 [0,2,0,0,0,0|2,0,0]=4 4896 B14R1.32 CCOC(=O)C=Cc1nccc(n1)N 271570a_100010199719_100000757536 [0,2,0,0,0,0|2,0,0]=4 4897 B14R1.32 CCOC(=O)C=Cc1nccc(n1)O 271570a_100010199719_100011649813 [0,2,0,0,0,0|2,0,0]=4 4898 B14R1.32 CCOC(=O)CCc1cccc(c1)O 271570a_203496583355_200000172381 [0,2,0,0,0,0|0,0,2]=4 4899 B14R1.32 CCOC(=O)CNc1cccc(c1)Br 34a_100000210019_100000188475 [0,2,0,0,0,0|1,0,1]=4 4900 B14R1.32 CCOC(=O)CNc1cccc(c1)C 2230a_100000188690_100000188475 [0,2,0,0,0,0|1,0,1]=4 4901 B14R1.32 CCOC(=O)CNc1cccc(c1)C 34a_100000188690_100000188475 [0,2,0,0,0,0|1,0,1]=4 4902 B14R1.32 CCOC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000188475 [0,2,0,0,0,0|1,0,1]=4 4903 B14R1.32 CCOC(=O)CNc1cccc(c1)F 34a_100000210047_100000188475 [0,2,0,0,0,0|1,0,1]=4 4904 B14R1.32 CCOC(=O)CNc1cccc(c1)I 34a_100000211102_100000188475 [0,2,0,0,0,0|1,0,1]=4 4905 B14R1.32 CCOC(=O)CNc1cccc(c1)O 271570a_203496583355_200000219647 [0,2,0,0,0,0|1,0,1]=4 4906 B14R1.32 CCOC(=O)CNc1cccc(c1)O 34a_100000210217_100000188475 [0,2,0,0,0,0|1,0,1]=4 4907 B14R1.32 CCOC(=O)COc1cccc(c1)Br 34a_100000210342_100000188475 [0,2,0,0,0,0|1,0,1]=4 4908 B14R1.32 CCOC(=O)COc1cccc(c1)Br 7a_100000210342_100000188475 [0,2,0,0,0,0|1,0,1]=4 4909 B14R1.32 CCOC(=O)COc1cccc(c1)C 34a_100000210337_100000188475 [0,2,0,0,0,0|1,0,1]=4 4910 B14R1.32 CCOC(=O)COc1cccc(c1)C 7a_100000210337_100000188475 [0,2,0,0,0,0|1,0,1]=4 4911 B14R1.32 CCOC(=O)COc1cccc(c1)Cl 34a_100000210295_100000188475 [0,2,0,0,0,0|1,0,1]=4 4912 B14R1.32 CCOC(=O)COc1cccc(c1)Cl 7a_100000210295_100000188475 [0,2,0,0,0,0|1,0,1]=4 4913 B14R1.32 CCOC(=O)COc1cccc(c1)F 34a_100000210426_100000188475 [0,2,0,0,0,0|1,0,1]=4 4914 B14R1.32 CCOC(=O)COc1cccc(c1)F 7a_100000210426_100000188475 [0,2,0,0,0,0|1,0,1]=4 4915 B14R1.32 CCOC(=O)COc1cccc(c1)I 34a_100000211634_100000188475 [0,2,0,0,0,0|1,0,1]=4 4916 B14R1.32 CCOC(=O)COc1cccc(c1)I 7a_100000211634_100000188475 [0,2,0,0,0,0|1,0,1]=4 4917 B14R1.32 CCOC(=O)COc1cccc(c1)N 34a_100000210217_100000188475 [0,2,0,0,0,0|1,0,1]=4 4918 B14R1.32 CCOC(=O)COc1cccc(c1)O 271570a_203496583355_100000170171 [0,2,0,0,0,0|1,0,1]=4 4919 B14R1.32 CCOC(=O)CSc1cccc(c1)Br 62a_100000188475_100000691529 [0,2,0,0,0,0|1,0,1]=4 4920 B14R1.32 CCOC(=O)CSc1cccc(c1)Br 62a_100000691529_100000188475 [0,2,0,0,0,0|1,0,1]=4 4921 B14R1.32 CCOC(=O)CSc1cccc(c1)C 62a_100000188475_100011215228 [0,2,0,0,0,0|1,0,1]=4 4922 B14R1.32 CCOC(=O)CSc1cccc(c1)C 62a_100011215228_100000188475 [0,2,0,0,0,0|1,0,1]=4 4923 B14R1.32 CCOC(=O)CSc1cccc(c1)Cl 62a_100000188475_100000699651 [0,2,0,0,0,0|1,0,1]=4 4924 B14R1.32 CCOC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000188475 [0,2,0,0,0,0|1,0,1]=4 4925 B14R1.32 CCOC(=O)CSc1cccc(c1)F 62a_100000188475_100000685547 [0,2,0,0,0,0|1,0,1]=4 4926 B14R1.32 CCOC(=O)CSc1cccc(c1)F 62a_100000685547_100000188475 [0,2,0,0,0,0|1,0,1]=4 4927 B14R1.32 CCOC(=O)CSc1cccc(c1)N 62a_100000188475_100000210019 [0,2,0,0,0,0|1,0,1]=4 4928 B14R1.32 CCOC(=O)CSc1cccc(c1)N 62a_100000210019_100000188475 [0,2,0,0,0,0|1,0,1]=4 4929 B14R1.32 CCOC(=O)CSc1cccc(c1)O 62a_100000188475_100000211634 [0,2,0,0,0,0|1,0,1]=4 4930 B14R1.32 CCOC(=O)CSc1cccc(c1)[S] 62a_100000188475_114929384022 [0,2,0,0,0,0|1,0,1]=4 4931 B14R1.32 CCOC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000188475 [0,2,0,0,0,0|1,0,1]=4 4932 B14R1.32 CNNC(=O)C=Cc1cccc(c1)Br 22a_100016993582_100016258244 [0,2,0,0,0,0|1,0,0]=3 4933 B14R1.32 CNNC(=O)C=Cc1cccc(c1)C 22a_100016993582_100000690095 [0,2,0,0,0,0|1,0,0]=3 4934 B14R1.32 CNNC(=O)C=Cc1cccc(c1)Cl 22a_100016993582_100000184502 [0,2,0,0,0,0|1,0,0]=3 4935 B14R1.32 CNNC(=O)C=Cc1cccc(c1)F 22a_100016993582_100000718793 [0,2,0,0,0,0|1,0,0]=3 4936 B14R1.32 CNNC(=O)C=Cc1cccc(c1)I 22a_100016993582_100020647043 [0,2,0,0,0,0|1,0,0]=3 4937 B14R1.32 CNNC(=O)C=Cc1cccc(c1)O 22a_100016993582_100102525460 [0,2,0,0,0,0|1,0,0]=3 4938 B14R1.32 COCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000211753 [0,2,0,0,0,0|0,0,0]=2 4939 B14R1.32 COCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000211753 [0,2,0,0,0,0|0,0,0]=2 4940 B14R1.32 COCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000211753 [0,2,0,0,0,0|0,0,0]=2 4941 B14R1.32 COCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000211753 [0,2,0,0,0,0|1,0,0]=3 4942 B14R1.32 COCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000211753 [0,2,0,0,0,0|1,0,0]=3 4943 B14R1.32 COCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000211753 [0,2,0,0,0,0|1,0,0]=3 4944 B14R1.32 COCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000211753 [0,2,0,0,0,0|1,0,0]=3 4945 B14R1.32 COCC(=O)C=Cc1cncc(n1)C 6a_100000100294_100000211753 [0,2,0,0,0,0|2,0,0]=4 4946 B14R1.32 COCC(=O)CCc1cccc(c1)Br 1458a_100000210968_100011740638 [0,2,0,0,0,0|0,0,2]=4 4947 B14R1.32 COCC(=O)CCc1cccc(c1)C 1458a_100000210968_100011713685 [0,2,0,0,0,0|0,0,2]=4 4948 B14R1.32 COCC(=O)CCc1cccc(c1)Cl 1458a_100000210968_100011713710 [0,2,0,0,0,0|0,0,2]=4 4949 B14R1.32 COCC(=O)CCc1cccc(c1)F 1458a_100000210968_100011217235 [0,2,0,0,0,0|0,0,2]=4 4950 B14R1.32 COCC(=O)NCc1cccc(c1)Br 11a_100000174977_100000210968 [0,2,0,0,0,0|1,0,1]=4 4951 B14R1.32 COCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000210968 [0,2,0,0,0,0|1,0,1]=4 4952 B14R1.32 COCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100000210968 [0,2,0,0,0,0|1,0,1]=4 4953 B14R1.32 COCC(=O)NCc1cccc(c1)Br 34a_100138415774_100011263252 [0,2,0,0,0,0|1,0,1]=4 4954 B14R1.32 COCC(=O)NCc1cccc(c1)Br 527a_100000174977_100000210968 [0,2,0,0,0,0|1,0,1]=4 4955 B14R1.32 COCC(=O)NCc1cccc(c1)C 11a_100000185548_100000210968 [0,2,0,0,0,0|1,0,1]=4 4956 B14R1.32 COCC(=O)NCc1cccc(c1)C 1626a_100000185548_100000210968 [0,2,0,0,0,0|1,0,1]=4 4957 B14R1.32 COCC(=O)NCc1cccc(c1)C 240690a_100000185548_100000210968 [0,2,0,0,0,0|1,0,1]=4 4958 B14R1.32 COCC(=O)NCc1cccc(c1)C 34a_100138415774_100000754571 [0,2,0,0,0,0|1,0,1]=4 4959 B14R1.32 COCC(=O)NCc1cccc(c1)C 527a_100000185548_100000210968 [0,2,0,0,0,0|1,0,1]=4 4960 B14R1.32 COCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100000210968 [0,2,0,0,0,0|1,0,1]=4 4961 B14R1.32 COCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000210968 [0,2,0,0,0,0|1,0,1]=4 4962 B14R1.32 COCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000210968 [0,2,0,0,0,0|1,0,1]=4 4963 B14R1.32 COCC(=O)NCc1cccc(c1)Cl 34a_100138415774_100000181154 [0,2,0,0,0,0|1,0,1]=4 4964 B14R1.32 COCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100000210968 [0,2,0,0,0,0|1,0,1]=4 4965 B14R1.32 COCC(=O)NCc1cccc(c1)F 11a_100000174948_100000210968 [0,2,0,0,0,0|1,0,1]=4 4966 B14R1.32 COCC(=O)NCc1cccc(c1)F 1626a_100000174948_100000210968 [0,2,0,0,0,0|1,0,1]=4 4967 B14R1.32 COCC(=O)NCc1cccc(c1)F 240690a_100000174948_100000210968 [0,2,0,0,0,0|1,0,1]=4 4968 B14R1.32 COCC(=O)NCc1cccc(c1)F 34a_100138415774_100000738998 [0,2,0,0,0,0|1,0,1]=4 4969 B14R1.32 COCC(=O)NCc1cccc(c1)F 527a_100000174948_100000210968 [0,2,0,0,0,0|1,0,1]=4 4970 B14R1.32 COCC(=O)NCc1cccc(c1)I 11a_100000106179_100000210968 [0,2,0,0,0,0|1,0,1]=4 4971 B14R1.32 COCC(=O)NCc1cccc(c1)I 1626a_100000106179_100000210968 [0,2,0,0,0,0|1,0,1]=4 4972 B14R1.32 COCC(=O)NCc1cccc(c1)I 240690a_100000106179_100000210968 [0,2,0,0,0,0|1,0,1]=4 4973 B14R1.32 COCC(=O)NCc1cccc(c1)I 527a_100000106179_100000210968 [0,2,0,0,0,0|1,0,1]=4 4974 B14R1.32 COCC(=O)NCc1cccc(c1)O 240690a_100000743036_100000210968 [0,2,0,0,0,0|1,0,1]=4 4975 B14R1.32 COCC(=O)NCc1cccc(c1)O 527a_100000743036_100000210968 [0,2,0,0,0,0|1,0,1]=4 4976 B14R1.32 COCC(=O)NNc1cccc(c1)Br 22a_100000217339_100000210968 [0,2,0,0,0,0|2,0,0]=4 4977 B14R1.32 COCC(=O)NNc1cccc(c1)C 22a_100000681630_100000210968 [0,2,0,0,0,0|2,0,0]=4 4978 B14R1.32 COCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000210968 [0,2,0,0,0,0|2,0,0]=4 4979 B14R1.32 COCC(=O)NNc1cccc(c1)F 22a_100000745080_100000210968 [0,2,0,0,0,0|2,0,0]=4 4980 B14R1.32 COCC(=O)NNc1cccc(c1)I 22a_100020605690_100000210968 [0,2,0,0,0,0|2,0,0]=4 4981 B14R1.32 CSCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011216314 [0,2,0,0,0,0|0,1,0]=3 4982 B14R1.32 CSCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011216314 [0,2,0,0,0,0|0,1,0]=3 4983 B14R1.32 CSCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011216314 [0,2,0,0,0,0|0,1,0]=3 4984 B14R1.32 CSCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100011216314 [0,2,0,0,0,0|1,1,0]=4 4985 B14R1.32 CSCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100011216314 [0,2,0,0,0,0|1,1,0]=4 4986 B14R1.32 CSCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100011216314 [0,2,0,0,0,0|1,1,0]=4 4987 B14R1.32 CSCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100011216314 [0,2,0,0,0,0|1,1,0]=4 4988 B14R1.32 Cc1cccc(c1)C=CC(=O)CC#N 1458a_100000690095_100011214920 [0,2,0,0,0,0|1,0,1]=4 4989 B14R1.32 Cc1cccc(c1)C=CC(=O)CCF 1458a_100000690095_100011217306 [0,2,0,0,0,0|1,0,0]=3 4990 B14R1.32 Cc1cccc(c1)C=CC(=O)CCO 1458a_100000690095_100000211926 [0,2,0,0,0,0|1,0,0]=3 4991 B14R1.32 Cc1cncc(c1)C=CC(=O)CCBr 6a_100011998712_100011261029 [0,2,0,0,0,0|2,0,0]=4 4992 B14R1.32 Cc1cncc(c1)C=CC(=O)CCCl 6a_100011998712_100000053229 [0,2,0,0,0,0|2,0,0]=4 4993 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011214920 [0,2,0,0,0,0|1,0,1]=4 4994 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000184835 [0,2,0,0,0,0|1,0,1]=4 4995 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011214920 [0,2,0,0,0,0|1,0,1]=4 4996 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011214920 [0,2,0,0,0,0|1,0,1]=4 4997 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000184835 [0,2,0,0,0,0|1,0,1]=4 4998 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011214920 [0,2,0,0,0,0|1,0,1]=4 4999 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000184835 [0,2,0,0,0,0|1,0,1]=4 5000 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCBr 6a_100000210085_100011261029 [0,2,0,0,0,0|1,0,0]=3 5001 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCCl 6a_100000210085_100000053229 [0,2,0,0,0,0|1,0,0]=3 5002 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCF 1458a_100016258244_100011217306 [0,2,0,0,0,0|1,0,0]=3 5003 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCO 1458a_100016258244_100000211926 [0,2,0,0,0,0|1,0,0]=3 5004 B14R1.32 O=C(C=Cc1cccc(c1)Cl)CCF 1458a_100000184502_100011217306 [0,2,0,0,0,0|1,0,0]=3 5005 B14R1.32 O=C(C=Cc1cccc(c1)Cl)CCO 1458a_100000184502_100000211926 [0,2,0,0,0,0|1,0,0]=3 5006 B14R1.32 O=C(C=Cc1cccc(c1)F)CCBr 6a_100000210812_100011261029 [0,2,0,0,0,0|1,0,0]=3 5007 B14R1.32 O=C(C=Cc1cccc(c1)F)CCCl 6a_100000210812_100000053229 [0,2,0,0,0,0|1,0,0]=3 5008 B14R1.32 O=C(C=Cc1cccc(c1)F)CCF 1458a_100000718793_100011217306 [0,2,0,0,0,0|1,0,0]=3 5009 B14R1.32 O=C(C=Cc1cccc(c1)F)CCO 1458a_100000718793_100000211926 [0,2,0,0,0,0|1,0,0]=3 5010 B14R1.32 O=C(C=Cc1cccc(c1)I)CCBr 6a_100000014684_100011261029 [0,2,0,0,0,0|1,0,0]=3 5011 B14R1.32 O=C(C=Cc1cccc(c1)I)CCCl 6a_100000014684_100000053229 [0,2,0,0,0,0|1,0,0]=3 5012 B14R1.32 O=C(C=Cc1cccc(c1)I)CCF 1458a_100020647043_100011217306 [0,2,0,0,0,0|1,0,0]=3 5013 B14R1.32 O=C(C=Cc1cccc(c1)I)CCO 1458a_100020647043_100000211926 [0,2,0,0,0,0|1,0,0]=3 5014 B14R1.32 O=C(C=Cc1cncc(c1)Br)CCBr 6a_100000687066_100011261029 [0,2,0,0,0,0|2,0,0]=4 5015 B14R1.32 O=C(C=Cc1cncc(c1)Br)CCCl 6a_100000687066_100000053229 [0,2,0,0,0,0|2,0,0]=4 5016 B14R1.32 O=C(C=Cc1cncc(c1)Cl)CCBr 6a_100000088910_100011261029 [0,2,0,0,0,0|2,0,0]=4 5017 B14R1.32 O=C(C=Cc1cncc(c1)Cl)CCCl 6a_100000088910_100000053229 [0,2,0,0,0,0|2,0,0]=4 5018 B14R1.32 O=C(C=Cc1cncc(c1)F)CCBr 6a_100011361476_100011261029 [0,2,0,0,0,0|2,0,0]=4 5019 B14R1.32 O=C(C=Cc1cncc(c1)F)CCCl 6a_100011361476_100000053229 [0,2,0,0,0,0|2,0,0]=4 5020 B14R1.77 C#Cc1cccc(c1)NCC(=O)OC 2230a_100000735509_100000747449 [0,2,0,0,0,0|1,0,1]=4 5021 B14R1.77 C#Cc1cccc(c1)NCC(=O)OC 34a_100000735509_100000747449 [0,2,0,0,0,0|1,0,1]=4 5022 B14R1.77 C#Cc1cccc(c1)OCC(=O)OC 34a_100011216014_100000747449 [0,2,0,0,0,0|1,0,1]=4 5023 B14R1.77 C#Cc1cccc(c1)OCC(=O)OC 7a_100011216014_100000747449 [0,2,0,0,0,0|1,0,1]=4 5024 B14R1.77 C=Cc1cccc(c1)/C=C/C(=O)OC 271570a_100011290941_100000149372 [0,2,0,0,0,0|0,0,0]=2 5025 B14R1.77 C=Cc1cccc(c1)CCC(=O)OC 271570a_100011290941_100000151591 [0,2,0,0,0,0|0,0,2]=4 5026 B14R1.77 C=Cc1cccc(c1)NCC(=O)OC 34a_100011827668_100000747449 [0,2,0,0,0,0|1,0,1]=4 5027 B14R1.77 C=Cc1cccc(c1)OCC(=O)OC 271570a_100011290941_200000148702 [0,2,0,0,0,0|1,0,1]=4 5028 B14R1.77 C=Cc1cccc(c1)OCC(=O)OC 34a_100011309434_100000747449 [0,2,0,0,0,0|1,0,1]=4 5029 B14R1.77 C=Cc1cccc(c1)OCC(=O)OC 7a_100011309434_100000747449 [0,2,0,0,0,0|1,0,1]=4 5030 B14R1.77 C=Cc1cccc(c1)SCC(=O)OC 271570a_100011290941_100011756034 [0,2,0,0,0,0|1,0,1]=4 5031 B14R1.77 C=Cc1cccc(c1)SCC(=O)OC 62a_100000747449_100011215241 [0,2,0,0,0,0|1,0,1]=4 5032 B14R1.77 C=Cc1cccc(c1)SCC(=O)OC 62a_100011215241_100000747449 [0,2,0,0,0,0|1,0,1]=4 5033 B14R1.77 CCC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_100000210202 [0,2,0,0,0,0|1,0,0]=3 5034 B14R1.77 CCC(=O)C=Cc1cncc(c1)C#N 6a_100011361567_100000211110 [0,2,0,0,0,0|2,0,0]=4 5035 B14R1.77 CCc1cccc(c1)NCC(=O)OC 2230a_100000211250_100000747449 [0,2,0,0,0,0|1,0,1]=4 5036 B14R1.77 CCc1cccc(c1)NCC(=O)OC 34a_100000211250_100000747449 [0,2,0,0,0,0|1,0,1]=4 5037 B14R1.77 CCc1cccc(c1)NCC(=O)OC 7a_100000211250_100000747449 [0,2,0,0,0,0|1,0,1]=4 5038 B14R1.77 CCc1cccc(c1)OCC(=O)OC 34a_100000211550_100000747449 [0,2,0,0,0,0|1,0,1]=4 5039 B14R1.77 CCc1cccc(c1)OCC(=O)OC 7a_100000211550_100000747449 [0,2,0,0,0,0|1,0,1]=4 5040 B14R1.77 CCc1cccc(c1)SCC(=O)OC 62a_100000747449_100011263222 [0,2,0,0,0,0|1,0,1]=4 5041 B14R1.77 CCc1cccc(c1)SCC(=O)OC 62a_100011263222_100000747449 [0,2,0,0,0,0|1,0,1]=4 5042 B14R1.77 CNC(=O)C=Cc1cccc(c1)C#N 11a_106832991635_100000738773 [0,2,0,0,0,0|1,0,0]=3 5043 B14R1.77 CNC(=O)C=Cc1cccc(c1)C#N 1626a_100102657272_100000738773 [0,2,0,0,0,0|1,0,0]=3 5044 B14R1.77 CNC(=O)C=Cc1cccc(c1)C#N 240690a_100102657272_100000738773 [0,2,0,0,0,0|1,0,0]=3 5045 B14R1.77 CNc1cccc(c1)OCC(=O)OC 34a_100000756613_100000747449 [0,2,0,0,0,0|1,0,1]=4 5046 B14R1.77 CNc1cccc(c1)OCC(=O)OC 7a_100000756613_100000747449 [0,2,0,0,0,0|1,0,1]=4 5047 B14R1.77 CNc1cccc(c1)SCC(=O)OC 62a_100000219648_100000747449 [0,2,0,0,0,0|1,0,1]=4 5048 B14R1.77 CNc1cccc(c1)SCC(=O)OC 62a_100000747449_100000219648 [0,2,0,0,0,0|1,0,1]=4 5049 B14R1.77 COC(=O)/C=C/c1cccc(c1)OC 34a_200102525237_200000210301 [0,2,0,0,0,0|0,0,0]=2 5050 B14R1.77 COC(=O)/C=C/c1cccc(c1)OC 7a_200102525237_200000210301 [0,2,0,0,0,0|0,0,0]=2 5051 B14R1.77 COC(=O)/C=C/c1cccc(c1)O[13CH3] 34a_200102525237_200025704644 [0,2,0,0,0,0|0,0,0]=2 5052 B14R1.77 COC(=O)/C=C/c1cccc(c1)O[13CH3] 7a_200102525237_200025704644 [0,2,0,0,0,0|0,0,0]=2 5053 B14R1.77 COC(=O)/C=C/c1cccc(c1)SC 62a_100000149372_200000210301 [0,2,0,0,0,0|0,0,0]=2 5054 B14R1.77 COC(=O)/C=C/c1cccc(c1)SC 62a_200000210301_100000149372 [0,2,0,0,0,0|0,0,0]=2 5055 B14R1.77 COC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_100000149372_200025704644 [0,2,0,0,0,0|0,0,0]=2 5056 B14R1.77 COC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200025704644_100000149372 [0,2,0,0,0,0|0,0,0]=2 5057 B14R1.77 COC(=O)CCc1cccc(c1)OC 34a_100000067588_200000210301 [0,2,0,0,0,0|0,0,2]=4 5058 B14R1.77 COC(=O)CCc1cccc(c1)OC 7a_100000067588_200000210301 [0,2,0,0,0,0|0,0,2]=4 5059 B14R1.77 COC(=O)CCc1cccc(c1)O[13CH3] 34a_100000067588_200025704644 [0,2,0,0,0,0|0,0,2]=4 5060 B14R1.77 COC(=O)CCc1cccc(c1)O[13CH3] 7a_100000067588_200025704644 [0,2,0,0,0,0|0,0,2]=4 5061 B14R1.77 COC(=O)CCc1cccc(c1)SC 62a_100000151591_200000210301 [0,2,0,0,0,0|0,0,2]=4 5062 B14R1.77 COC(=O)CCc1cccc(c1)SC 62a_200000210301_100000151591 [0,2,0,0,0,0|0,0,2]=4 5063 B14R1.77 COC(=O)CCc1cccc(c1)S[13CH3] 62a_100000151591_200025704644 [0,2,0,0,0,0|0,0,2]=4 5064 B14R1.77 COC(=O)CCc1cccc(c1)S[13CH3] 62a_200025704644_100000151591 [0,2,0,0,0,0|0,0,2]=4 5065 B14R1.77 COC(=O)CNc1cccc(c1)C#N 34a_100000210922_100000747449 [0,2,0,0,0,0|1,0,1]=4 5066 B14R1.77 COC(=O)CNc1cccc(c1)C#N 7a_100000210922_100000747449 [0,2,0,0,0,0|1,0,1]=4 5067 B14R1.77 COC(=O)CNc1cccc(c1)CF 2230a_100000126320_100000747449 [0,2,0,0,0,0|1,0,1]=4 5068 B14R1.77 COC(=O)CNc1cccc(c1)CF 34a_100000126320_100000747449 [0,2,0,0,0,0|1,0,1]=4 5069 B14R1.77 COC(=O)CNc1cccc(c1)CF 7a_100000126320_100000747449 [0,2,0,0,0,0|1,0,1]=4 5070 B14R1.77 COC(=O)CNc1cccc(c1)CO 2230a_100000211919_100000747449 [0,2,0,0,0,0|1,0,1]=4 5071 B14R1.77 COC(=O)CNc1cccc(c1)CO 34a_100000211919_100000747449 [0,2,0,0,0,0|1,0,1]=4 5072 B14R1.77 COC(=O)CNc1cccc(c1)OC 34a_100000210024_100000747449 [0,2,0,0,0,0|1,0,1]=4 5073 B14R1.77 COC(=O)CNc1cccc(c1)SC 2230a_100000210049_100000747449 [0,2,0,0,0,0|1,0,1]=4 5074 B14R1.77 COC(=O)CNc1cccc(c1)SC 34a_100000210049_100000747449 [0,2,0,0,0,0|1,0,1]=4 5075 B14R1.77 COC(=O)COc1cccc(c1)C#N 34a_100000184713_100000747449 [0,2,0,0,0,0|1,0,1]=4 5076 B14R1.77 COC(=O)COc1cccc(c1)C#N 7a_100000184713_100000747449 [0,2,0,0,0,0|1,0,1]=4 5077 B14R1.77 COC(=O)COc1cccc(c1)CBr 34a_100011660834_100000747449 [0,2,0,0,0,0|1,0,1]=4 5078 B14R1.77 COC(=O)COc1cccc(c1)CBr 7a_100011660834_100000747449 [0,2,0,0,0,0|1,0,1]=4 5079 B14R1.77 COC(=O)COc1cccc(c1)CCl 34a_100000084143_100000747449 [0,2,0,0,0,0|1,0,1]=4 5080 B14R1.77 COC(=O)COc1cccc(c1)CCl 7a_100000084143_100000747449 [0,2,0,0,0,0|1,0,1]=4 5081 B14R1.77 COC(=O)COc1cccc(c1)CN 34a_100000743036_100000747449 [0,2,0,0,0,0|1,0,1]=4 5082 B14R1.77 COC(=O)COc1cccc(c1)CO 34a_100011214949_100000747449 [0,2,0,0,0,0|1,0,1]=4 5083 B14R1.77 COC(=O)COc1cccc(c1)CO 7a_100011214949_100000747449 [0,2,0,0,0,0|1,0,1]=4 5084 B14R1.77 COC(=O)COc1cccc(c1)OC 34a_100000211255_100000747449 [0,2,0,0,0,0|1,0,1]=4 5085 B14R1.77 COC(=O)COc1cccc(c1)OC 7a_100000211255_100000747449 [0,2,0,0,0,0|1,0,1]=4 5086 B14R1.77 COC(=O)COc1cccc(c1)SC 34a_100011265683_100000747449 [0,2,0,0,0,0|1,0,1]=4 5087 B14R1.77 COC(=O)COc1cccc(c1)SC 62a_200000148702_200000210301 [0,2,0,0,0,0|1,0,1]=4 5088 B14R1.77 COC(=O)COc1cccc(c1)SC 62a_200000210301_200000148702 [0,2,0,0,0,0|1,0,1]=4 5089 B14R1.77 COC(=O)COc1cccc(c1)SC 7a_100011265683_100000747449 [0,2,0,0,0,0|1,0,1]=4 5090 B14R1.77 COC(=O)COc1cccc(c1)S[13CH3] 62a_200000148702_200025704644 [0,2,0,0,0,0|1,0,1]=4 5091 B14R1.77 COC(=O)COc1cccc(c1)S[13CH3] 62a_200025704644_200000148702 [0,2,0,0,0,0|1,0,1]=4 5092 B14R1.77 COC(=O)CSc1cccc(c1)C#N 62a_100000747449_100000189340 [0,2,0,0,0,0|1,0,1]=4 5093 B14R1.77 COC(=O)CSc1cccc(c1)C=O 62a_100000014684_100000747449 [0,2,0,0,0,0|1,0,1]=4 5094 B14R1.77 COC(=O)CSc1cccc(c1)C=O 62a_100000747449_100000014684 [0,2,0,0,0,0|1,0,1]=4 5095 B14R1.77 COC(=O)CSc1cccc(c1)CF 62a_100000747449_100010878472 [0,2,0,0,0,0|1,0,1]=4 5096 B14R1.77 COC(=O)CSc1cccc(c1)CF 62a_100010878472_100000747449 [0,2,0,0,0,0|1,0,1]=4 5097 B14R1.77 COC(=O)CSc1cccc(c1)CN 62a_100000106179_100000747449 [0,2,0,0,0,0|1,0,1]=4 5098 B14R1.77 COC(=O)CSc1cccc(c1)CN 62a_100000747449_100000106179 [0,2,0,0,0,0|1,0,1]=4 5099 B14R1.77 COC(=O)CSc1cccc(c1)CO 62a_100000687537_100000747449 [0,2,0,0,0,0|1,0,1]=4 5100 B14R1.77 COC(=O)CSc1cccc(c1)CO 62a_100000747449_100000687537 [0,2,0,0,0,0|1,0,1]=4 5101 B14R1.77 COC(=O)CSc1cccc(c1)NN 62a_100000217339_100000747449 [0,2,0,0,0,0|1,0,1]=4 5102 B14R1.77 COC(=O)CSc1cccc(c1)NN 62a_100000747449_100000217339 [0,2,0,0,0,0|1,0,1]=4 5103 B14R1.77 COC(=O)CSc1cccc(c1)OC 62a_100000747449_100000170001 [0,2,0,0,0,0|1,0,1]=4 5104 B14R1.77 COC(=O)CSc1cccc(c1)SC 62a_100000747449_100011215954 [0,2,0,0,0,0|1,0,1]=4 5105 B14R1.77 COC(=O)CSc1cccc(c1)SC 62a_100011215954_100000747449 [0,2,0,0,0,0|1,0,1]=4 5106 B14R1.77 COC(=O)CSc1cccc(c1)SC 62a_100011756034_200000210301 [0,2,0,0,0,0|1,0,1]=4 5107 B14R1.77 COC(=O)CSc1cccc(c1)SC 62a_200000210301_100011756034 [0,2,0,0,0,0|1,0,1]=4 5108 B14R1.77 COC(=O)CSc1cccc(c1)S[13CH3] 62a_100011756034_200025704644 [0,2,0,0,0,0|1,0,1]=4 5109 B14R1.77 COC(=O)CSc1cccc(c1)S[13CH3] 62a_200025704644_100011756034 [0,2,0,0,0,0|1,0,1]=4 5110 B14R1.77 N#Cc1cccc(c1)C=CC(=O)CF 1458a_100000738773_100015361967 [0,2,0,0,0,0|2,0,0]=4 5111 B14R1.135 CCC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_100000210202 [0,2,0,0,0,0|2,0,0]=4 5112 B14R1.135 CCC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_100000210202 [0,2,0,0,0,0|2,0,0]=4 5113 B14R1.135 CNC(=O)C(=O)Cc1cccc(c1)Br 1458a_100011218921_100000211773 [0,2,0,0,0,0|1,0,1]=4 5114 B14R1.135 CNC(=O)C(=O)Cc1cccc(c1)C 1458a_100011218921_100000211840 [0,2,0,0,0,0|1,0,1]=4 5115 B14R1.135 CNC(=O)C(=O)Cc1cccc(c1)Cl 1458a_100011218921_100000181238 [0,2,0,0,0,0|1,0,1]=4 5116 B14R1.135 CNC(=O)C(=O)Cc1cccc(c1)F 1458a_100011218921_100000230114 [0,2,0,0,0,0|1,0,1]=4 5117 B14R1.135 CNC(=O)C(=O)Cc1cccc(c1)I 1458a_100011218921_100011218688 [0,2,0,0,0,0|1,0,1]=4 5118 B14R1.135 CNC(=O)C(=O)Cc1cccc(c1)O 1458a_100011218921_100011660834 [0,2,0,0,0,0|1,0,1]=4 5119 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100011218921 [0,2,0,0,0,0|2,0,0]=4 5120 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)Br 22a_100000210019_100011218921 [0,2,0,0,0,0|2,0,0]=4 5121 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)Br 527a_100000210019_100011218921 [0,2,0,0,0,0|2,0,0]=4 5122 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)C 1626a_100000188690_100011218921 [0,2,0,0,0,0|2,0,0]=4 5123 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)C 22a_100000188690_100011218921 [0,2,0,0,0,0|2,0,0]=4 5124 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)C 527a_100000188690_100011218921 [0,2,0,0,0,0|2,0,0]=4 5125 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100011218921 [0,2,0,0,0,0|2,0,0]=4 5126 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100011218921 [0,2,0,0,0,0|2,0,0]=4 5127 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)Cl 240690a_100102657272_200011297299 [0,2,0,0,0,0|2,0,0]=4 5128 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)F 1626a_100000210047_100011218921 [0,2,0,0,0,0|2,0,0]=4 5129 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)F 22a_100000210047_100011218921 [0,2,0,0,0,0|2,0,0]=4 5130 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)F 240690a_100102657272_200011297300 [0,2,0,0,0,0|2,0,0]=4 5131 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)F 527a_100000210047_100011218921 [0,2,0,0,0,0|2,0,0]=4 5132 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)I 1626a_100000211102_100011218921 [0,2,0,0,0,0|2,0,0]=4 5133 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)I 22a_100000211102_100011218921 [0,2,0,0,0,0|2,0,0]=4 5134 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)I 527a_100000211102_100011218921 [0,2,0,0,0,0|2,0,0]=4 5135 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)O 1626a_100000210217_100011218921 [0,2,0,0,0,0|2,0,0]=4 5136 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)O 22a_100000210217_100011218921 [0,2,0,0,0,0|2,0,0]=4 5137 B14R1.135 CNC(=O)C(=O)Nc1cccc(c1)O 527a_100000210217_100011218921 [0,2,0,0,0,0|2,0,0]=4 5138 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000024059 [0,2,0,0,0,0|1,0,0]=3 5139 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000024059 [0,2,0,0,0,0|1,0,0]=3 5140 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)Br 527a_100000210019_100000024059 [0,2,0,0,0,0|1,0,0]=3 5141 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)C 11a_100000188690_100000024059 [0,2,0,0,0,0|1,0,0]=3 5142 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000024059 [0,2,0,0,0,0|1,0,0]=3 5143 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)C 527a_100000188690_100000024059 [0,2,0,0,0,0|1,0,0]=3 5144 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000024059 [0,2,0,0,0,0|1,0,0]=3 5145 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000024059 [0,2,0,0,0,0|1,0,0]=3 5146 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)F 11a_100000210047_100000024059 [0,2,0,0,0,0|1,0,0]=3 5147 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000024059 [0,2,0,0,0,0|1,0,0]=3 5148 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)F 527a_100000210047_100000024059 [0,2,0,0,0,0|1,0,0]=3 5149 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)I 11a_100000211102_100000024059 [0,2,0,0,0,0|1,0,0]=3 5150 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000024059 [0,2,0,0,0,0|1,0,0]=3 5151 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)I 527a_100000211102_100000024059 [0,2,0,0,0,0|1,0,0]=3 5152 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000024059 [0,2,0,0,0,0|1,0,0]=3 5153 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)O 527a_100000210217_100000024059 [0,2,0,0,0,0|1,0,0]=3 5154 B14R1.135 COC(=O)C(C)Nc1cccc(c1)Br 34a_100000210019_100000211248 [0,2,0,0,0,0|1,0,1]=4 5155 B14R1.135 COC(=O)C(C)Nc1cccc(c1)C 2230a_100000188690_100000211248 [0,2,0,0,0,0|1,0,1]=4 5156 B14R1.135 COC(=O)C(C)Nc1cccc(c1)C 34a_100000188690_100000211248 [0,2,0,0,0,0|1,0,1]=4 5157 B14R1.135 COC(=O)C(C)Nc1cccc(c1)Cl 34a_100000185859_100000211248 [0,2,0,0,0,0|1,0,1]=4 5158 B14R1.135 COC(=O)C(C)Nc1cccc(c1)F 34a_100000210047_100000211248 [0,2,0,0,0,0|1,0,1]=4 5159 B14R1.135 COC(=O)C(C)Nc1cccc(c1)I 34a_100000211102_100000211248 [0,2,0,0,0,0|1,0,1]=4 5160 B14R1.135 COC(=O)C(C)Nc1cccc(c1)O 34a_100000210217_100000211248 [0,2,0,0,0,0|1,0,1]=4 5161 B14R1.135 COC(=O)C(C)Oc1cccc(c1)Br 34a_100000210342_100000211248 [0,2,0,0,0,0|1,0,1]=4 5162 B14R1.135 COC(=O)C(C)Oc1cccc(c1)Br 7a_100000210342_100000211248 [0,2,0,0,0,0|1,0,1]=4 5163 B14R1.135 COC(=O)C(C)Oc1cccc(c1)C 34a_100000210337_100000211248 [0,2,0,0,0,0|1,0,1]=4 5164 B14R1.135 COC(=O)C(C)Oc1cccc(c1)C 7a_100000210337_100000211248 [0,2,0,0,0,0|1,0,1]=4 5165 B14R1.135 COC(=O)C(C)Oc1cccc(c1)Cl 34a_100000210295_100000211248 [0,2,0,0,0,0|1,0,1]=4 5166 B14R1.135 COC(=O)C(C)Oc1cccc(c1)Cl 7a_100000210295_100000211248 [0,2,0,0,0,0|1,0,1]=4 5167 B14R1.135 COC(=O)C(C)Oc1cccc(c1)F 34a_100000210426_100000211248 [0,2,0,0,0,0|1,0,1]=4 5168 B14R1.135 COC(=O)C(C)Oc1cccc(c1)F 7a_100000210426_100000211248 [0,2,0,0,0,0|1,0,1]=4 5169 B14R1.135 COC(=O)C(C)Oc1cccc(c1)I 34a_100000211634_100000211248 [0,2,0,0,0,0|1,0,1]=4 5170 B14R1.135 COC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100000211248 [0,2,0,0,0,0|1,0,1]=4 5171 B14R1.135 COC(=O)C(C)Oc1cccc(c1)N 34a_100000210217_100000211248 [0,2,0,0,0,0|1,0,1]=4 5172 B14R1.135 COC(=O)C(C)Sc1cccc(c1)Br 62a_100000211248_100000691529 [0,2,0,0,0,0|1,0,1]=4 5173 B14R1.135 COC(=O)C(C)Sc1cccc(c1)Br 62a_100000691529_100000211248 [0,2,0,0,0,0|1,0,1]=4 5174 B14R1.135 COC(=O)C(C)Sc1cccc(c1)C 62a_100000211248_100011215228 [0,2,0,0,0,0|1,0,1]=4 5175 B14R1.135 COC(=O)C(C)Sc1cccc(c1)C 62a_100011215228_100000211248 [0,2,0,0,0,0|1,0,1]=4 5176 B14R1.135 COC(=O)C(C)Sc1cccc(c1)Cl 62a_100000211248_100000699651 [0,2,0,0,0,0|1,0,1]=4 5177 B14R1.135 COC(=O)C(C)Sc1cccc(c1)Cl 62a_100000699651_100000211248 [0,2,0,0,0,0|1,0,1]=4 5178 B14R1.135 COC(=O)C(C)Sc1cccc(c1)F 62a_100000211248_100000685547 [0,2,0,0,0,0|1,0,1]=4 5179 B14R1.135 COC(=O)C(C)Sc1cccc(c1)F 62a_100000685547_100000211248 [0,2,0,0,0,0|1,0,1]=4 5180 B14R1.135 COC(=O)C(C)Sc1cccc(c1)N 62a_100000210019_100000211248 [0,2,0,0,0,0|1,0,1]=4 5181 B14R1.135 COC(=O)C(C)Sc1cccc(c1)N 62a_100000211248_100000210019 [0,2,0,0,0,0|1,0,1]=4 5182 B14R1.135 COC(=O)C(C)Sc1cccc(c1)O 62a_100000211248_100000211634 [0,2,0,0,0,0|1,0,1]=4 5183 B14R1.135 COC(=O)C(C)Sc1cccc(c1)[S] 62a_100000211248_114929384022 [0,2,0,0,0,0|1,0,1]=4 5184 B14R1.135 COC(=O)C(C)Sc1cccc(c1)[S] 62a_114929384022_100000211248 [0,2,0,0,0,0|1,0,1]=4 5185 B14R1.135 COC(=O)C(N)Cc1cccc(c1)O 271570a_203496583355_100102946621 [0,2,0,0,0,0|0,0,2]=4 5186 B14R1.820 CCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100000210202 [0,2,0,0,0,0|1,0,0]=3 5187 B14R1.820 CCC(=O)C=Cc1cc(ccc1Br)I 6a_100010185652_100000211110 [0,2,0,0,0,0|1,0,0]=3 5188 B14R1.820 CCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100000210202 [0,2,0,0,0,0|1,0,0]=3 5189 B14R1.820 CCC(=O)C=Cc1cc(ccc1Cl)I 6a_100010254384_100000211110 [0,2,0,0,0,0|1,0,0]=3 5190 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100000210202 [0,2,0,0,0,0|1,0,0]=3 5191 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)Br 6a_100000211465_100000211110 [0,2,0,0,0,0|1,0,0]=3 5192 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_100000210202 [0,2,0,0,0,0|1,0,0]=3 5193 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)C 6a_100000756917_100000211110 [0,2,0,0,0,0|1,0,0]=3 5194 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)Cl 6a_100000745245_100000211110 [0,2,0,0,0,0|1,0,0]=3 5195 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100000210202 [0,2,0,0,0,0|1,0,0]=3 5196 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)F 6a_100000740046_100000211110 [0,2,0,0,0,0|1,0,0]=3 5197 B14R1.820 CCC(=O)C=Cc1cc(ccc1F)I 6a_100000050626_100000211110 [0,2,0,0,0,0|1,0,0]=3 5198 B14R1.820 CCC(=O)C=Cc1cc(ccc1I)Br 6a_100010185651_100000211110 [0,2,0,0,0,0|1,0,0]=3 5199 B14R1.820 CCC(=O)C=Cc1cc(ccc1I)C 6a_100010150105_100000211110 [0,2,0,0,0,0|1,0,0]=3 5200 B14R1.820 CCC(=O)C=Cc1cc(ccc1I)Cl 6a_100010254386_100000211110 [0,2,0,0,0,0|1,0,0]=3 5201 B14R1.820 CCC(=O)C=Cc1cc(ccc1I)F 6a_100010186294_100000211110 [0,2,0,0,0,0|1,0,0]=3 5202 B14R1.820 CCC(=O)C=Cc1cc(ccc1I)O 6a_100000069132_100000211110 [0,2,0,0,0,0|1,0,0]=3 5203 B14R1.820 CCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_100000211110 [0,2,0,0,0,0|1,0,0]=3 5204 B14R1.820 CCC(=O)C=Cc1cc(ncc1Br)I 6a_200135154921_100000211110 [0,2,0,0,0,0|2,0,0]=4 5205 B14R1.820 CCC(=O)C=Cc1cc(ncc1F)Br 6a_100000707870_100000211110 [0,2,0,0,0,0|2,0,0]=4 5206 B14R1.820 CCC(=O)C=Cc1cc(ncc1F)F 6a_100000731253_100000211110 [0,2,0,0,0,0|2,0,0]=4 5207 B14R1.820 CNC(=O)C=Cc1cc(ccc1Br)F 11a_106832991635_100102525183 [0,2,0,0,0,0|1,0,0]=3 5208 B14R1.820 CNC(=O)C=Cc1cc(ccc1Br)F 1626a_100102657272_100102525183 [0,2,0,0,0,0|1,0,0]=3 5209 B14R1.820 CNC(=O)C=Cc1cc(ccc1Br)F 240690a_100102657272_100102525183 [0,2,0,0,0,0|1,0,0]=3 5210 B14R1.820 CNC(=O)C=Cc1cc(ccc1Br)O 240690a_100102657272_200159324452 [0,2,0,0,0,0|1,0,0]=3 5211 B14R1.820 CNC(=O)C=Cc1cc(ccc1C)C 1626a_100102657272_200016256798 [0,2,0,0,0,0|1,0,0]=3 5212 B14R1.820 CNC(=O)C=Cc1cc(ccc1C)F 11a_106832991635_100102526137 [0,2,0,0,0,0|1,0,0]=3 5213 B14R1.820 CNC(=O)C=Cc1cc(ccc1C)F 1626a_100102657272_100102526137 [0,2,0,0,0,0|1,0,0]=3 5214 B14R1.820 CNC(=O)C=Cc1cc(ccc1Cl)Cl 11a_106832991635_100000234794 [0,2,0,0,0,0|1,0,0]=3 5215 B14R1.820 CNC(=O)C=Cc1cc(ccc1Cl)Cl 1626a_100102657272_100000234794 [0,2,0,0,0,0|1,0,0]=3 5216 B14R1.820 CNC(=O)C=Cc1cc(ccc1Cl)Cl 240690a_100102657272_100000234794 [0,2,0,0,0,0|1,0,0]=3 5217 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)Br 11a_106832991635_100000718207 [0,2,0,0,0,0|1,0,0]=3 5218 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)Br 1626a_100102657272_100000718207 [0,2,0,0,0,0|1,0,0]=3 5219 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)Br 240690a_100102657272_100000718207 [0,2,0,0,0,0|1,0,0]=3 5220 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)C 11a_106832991635_100102526132 [0,2,0,0,0,0|1,0,0]=3 5221 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)C 1626a_100102657272_100102526132 [0,2,0,0,0,0|1,0,0]=3 5222 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)C 240690a_100102657272_100102526132 [0,2,0,0,0,0|1,0,0]=3 5223 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)F 11a_106832991635_100000744626 [0,2,0,0,0,0|1,0,0]=3 5224 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)F 1626a_100102657272_100000744626 [0,2,0,0,0,0|1,0,0]=3 5225 B14R1.820 CNC(=O)C=Cc1cc(ccc1F)F 240690a_100102657272_100000744626 [0,2,0,0,0,0|1,0,0]=3 5226 B14R1.820 COC(=O)CNc1cc(ccc1Br)Br 34a_100000737762_100000747449 [0,2,0,0,0,0|1,0,1]=4 5227 B14R1.820 COC(=O)CNc1cc(ccc1Br)C 34a_100000745044_100000747449 [0,2,0,0,0,0|1,0,1]=4 5228 B14R1.820 COC(=O)CNc1cc(ccc1Br)Cl 34a_100000687073_100000747449 [0,2,0,0,0,0|1,0,1]=4 5229 B14R1.820 COC(=O)CNc1cc(ccc1Br)F 34a_100000687223_100000747449 [0,2,0,0,0,0|1,0,1]=4 5230 B14R1.820 COC(=O)CNc1cc(ccc1Br)O 34a_100011999798_100000747449 [0,2,0,0,0,0|1,0,1]=4 5231 B14R1.820 COC(=O)CNc1cc(ccc1C)Br 34a_100000741167_100000747449 [0,2,0,0,0,0|1,0,1]=4 5232 B14R1.820 COC(=O)CNc1cc(ccc1C)Br 7a_100000741167_100000747449 [0,2,0,0,0,0|1,0,1]=4 5233 B14R1.820 COC(=O)CNc1cc(ccc1C)C 2230a_100000185781_100000747449 [0,2,0,0,0,0|1,0,1]=4 5234 B14R1.820 COC(=O)CNc1cc(ccc1C)C 34a_100000185781_100000747449 [0,2,0,0,0,0|1,0,1]=4 5235 B14R1.820 COC(=O)CNc1cc(ccc1C)C 7a_100000185781_100000747449 [0,2,0,0,0,0|1,0,1]=4 5236 B14R1.820 COC(=O)CNc1cc(ccc1C)Cl 34a_100000211374_100000747449 [0,2,0,0,0,0|1,0,1]=4 5237 B14R1.820 COC(=O)CNc1cc(ccc1C)Cl 7a_100000211374_100000747449 [0,2,0,0,0,0|1,0,1]=4 5238 B14R1.820 COC(=O)CNc1cc(ccc1C)F 34a_100000211107_100000747449 [0,2,0,0,0,0|1,0,1]=4 5239 B14R1.820 COC(=O)CNc1cc(ccc1C)F 7a_100000211107_100000747449 [0,2,0,0,0,0|1,0,1]=4 5240 B14R1.820 COC(=O)CNc1cc(ccc1C)I 7a_100000761890_100000747449 [0,2,0,0,0,0|1,0,1]=4 5241 B14R1.820 COC(=O)CNc1cc(ccc1C)O 34a_100011216113_100000747449 [0,2,0,0,0,0|1,0,1]=4 5242 B14R1.820 COC(=O)CNc1cc(ccc1Cl)Br 34a_100000750497_100000747449 [0,2,0,0,0,0|1,0,1]=4 5243 B14R1.820 COC(=O)CNc1cc(ccc1Cl)C 34a_100011215360_100000747449 [0,2,0,0,0,0|1,0,1]=4 5244 B14R1.820 COC(=O)CNc1cc(ccc1Cl)Cl 34a_100000184485_100000747449 [0,2,0,0,0,0|1,0,1]=4 5245 B14R1.820 COC(=O)CNc1cc(ccc1Cl)F 34a_100000751338_100000747449 [0,2,0,0,0,0|1,0,1]=4 5246 B14R1.820 COC(=O)CNc1cc(ccc1Cl)I 34a_200000761891_100000747449 [0,2,0,0,0,0|1,0,1]=4 5247 B14R1.820 COC(=O)CNc1cc(ccc1Cl)O 34a_100011934297_100000747449 [0,2,0,0,0,0|1,0,1]=4 5248 B14R1.820 COC(=O)CNc1cc(ccc1F)Br 34a_100000740924_100000747449 [0,2,0,0,0,0|1,0,1]=4 5249 B14R1.820 COC(=O)CNc1cc(ccc1F)C 34a_100000211285_100000747449 [0,2,0,0,0,0|1,0,1]=4 5250 B14R1.820 COC(=O)CNc1cc(ccc1F)Cl 34a_100000212115_100000747449 [0,2,0,0,0,0|1,0,1]=4 5251 B14R1.820 COC(=O)CNc1cc(ccc1F)F 34a_100000210742_100000747449 [0,2,0,0,0,0|1,0,1]=4 5252 B14R1.820 COC(=O)CNc1cc(ccc1F)I 34a_100011464823_100000747449 [0,2,0,0,0,0|1,0,1]=4 5253 B14R1.820 COC(=O)CNc1cc(ccc1F)O 34a_100012017239_100000747449 [0,2,0,0,0,0|1,0,1]=4 5254 B14R1.820 COC(=O)CNc1cc(ccc1I)Br 34a_100000743836_100000747449 [0,2,0,0,0,0|1,0,1]=4 5255 B14R1.820 COC(=O)CNc1cc(ccc1I)C 34a_100011216686_100000747449 [0,2,0,0,0,0|1,0,1]=4 5256 B14R1.820 COC(=O)CNc1cc(ccc1I)Cl 34a_100000761886_100000747449 [0,2,0,0,0,0|1,0,1]=4 5257 B14R1.820 COC(=O)CNc1cc(ccc1I)F 34a_100011218093_100000747449 [0,2,0,0,0,0|1,0,1]=4 5258 B14R1.820 COC(=O)CNc1cc(ccc1O)Br 34a_100000752626_100000747449 [0,2,0,0,0,0|1,0,1]=4 5259 B14R1.820 COC(=O)CNc1cc(ccc1O)C 34a_100011215204_100000747449 [0,2,0,0,0,0|1,0,1]=4 5260 B14R1.820 COC(=O)CNc1cc(ccc1O)Cl 34a_100000210500_100000747449 [0,2,0,0,0,0|1,0,1]=4 5261 B14R1.820 COC(=O)CNc1cc(ccc1O)F 34a_100000759472_100000747449 [0,2,0,0,0,0|1,0,1]=4 5262 B14R1.820 COC(=O)COc1cc(ccc1Br)Br 34a_100011220040_100000747449 [0,2,0,0,0,0|1,0,1]=4 5263 B14R1.820 COC(=O)COc1cc(ccc1Br)Br 7a_100011220040_100000747449 [0,2,0,0,0,0|1,0,1]=4 5264 B14R1.820 COC(=O)COc1cc(ccc1Br)C 34a_100012002257_100000747449 [0,2,0,0,0,0|1,0,1]=4 5265 B14R1.820 COC(=O)COc1cc(ccc1Br)C 7a_100012002257_100000747449 [0,2,0,0,0,0|1,0,1]=4 5266 B14R1.820 COC(=O)COc1cc(ccc1Br)Cl 34a_100012339455_100000747449 [0,2,0,0,0,0|1,0,1]=4 5267 B14R1.820 COC(=O)COc1cc(ccc1Br)Cl 7a_100012339455_100000747449 [0,2,0,0,0,0|1,0,1]=4 5268 B14R1.820 COC(=O)COc1cc(ccc1Br)F 34a_100000690578_100000747449 [0,2,0,0,0,0|1,0,1]=4 5269 B14R1.820 COC(=O)COc1cc(ccc1Br)F 7a_100000690578_100000747449 [0,2,0,0,0,0|1,0,1]=4 5270 B14R1.820 COC(=O)COc1cc(ccc1Br)I 34a_100012356990_100000747449 [0,2,0,0,0,0|1,0,1]=4 5271 B14R1.820 COC(=O)COc1cc(ccc1Br)I 7a_100012356990_100000747449 [0,2,0,0,0,0|1,0,1]=4 5272 B14R1.820 COC(=O)COc1cc(ccc1C)Br 34a_100000685420_100000747449 [0,2,0,0,0,0|1,0,1]=4 5273 B14R1.820 COC(=O)COc1cc(ccc1C)Br 7a_100000685420_100000747449 [0,2,0,0,0,0|1,0,1]=4 5274 B14R1.820 COC(=O)COc1cc(ccc1C)C 34a_100000210931_100000747449 [0,2,0,0,0,0|1,0,1]=4 5275 B14R1.820 COC(=O)COc1cc(ccc1C)C 7a_100000210931_100000747449 [0,2,0,0,0,0|1,0,1]=4 5276 B14R1.820 COC(=O)COc1cc(ccc1C)Cl 34a_100000756515_100000747449 [0,2,0,0,0,0|1,0,1]=4 5277 B14R1.820 COC(=O)COc1cc(ccc1C)Cl 7a_100000756515_100000747449 [0,2,0,0,0,0|1,0,1]=4 5278 B14R1.820 COC(=O)COc1cc(ccc1C)F 34a_100000690566_100000747449 [0,2,0,0,0,0|1,0,1]=4 5279 B14R1.820 COC(=O)COc1cc(ccc1C)F 7a_100000690566_100000747449 [0,2,0,0,0,0|1,0,1]=4 5280 B14R1.820 COC(=O)COc1cc(ccc1C)I 7a_100000766334_100000747449 [0,2,0,0,0,0|1,0,1]=4 5281 B14R1.820 COC(=O)COc1cc(ccc1C)N 34a_100000759471_100000747449 [0,2,0,0,0,0|1,0,1]=4 5282 B14R1.820 COC(=O)COc1cc(ccc1C)N 7a_100000759471_100000747449 [0,2,0,0,0,0|1,0,1]=4 5283 B14R1.820 COC(=O)COc1cc(ccc1Cl)Br 34a_100000738945_100000747449 [0,2,0,0,0,0|1,0,1]=4 5284 B14R1.820 COC(=O)COc1cc(ccc1Cl)Br 7a_100000738945_100000747449 [0,2,0,0,0,0|1,0,1]=4 5285 B14R1.820 COC(=O)COc1cc(ccc1Cl)C 34a_100000211493_100000747449 [0,2,0,0,0,0|1,0,1]=4 5286 B14R1.820 COC(=O)COc1cc(ccc1Cl)C 7a_100000211493_100000747449 [0,2,0,0,0,0|1,0,1]=4 5287 B14R1.820 COC(=O)COc1cc(ccc1Cl)Cl 34a_100000211422_100000747449 [0,2,0,0,0,0|1,0,1]=4 5288 B14R1.820 COC(=O)COc1cc(ccc1Cl)Cl 7a_100000211422_100000747449 [0,2,0,0,0,0|1,0,1]=4 5289 B14R1.820 COC(=O)COc1cc(ccc1Cl)F 34a_100000692107_100000747449 [0,2,0,0,0,0|1,0,1]=4 5290 B14R1.820 COC(=O)COc1cc(ccc1Cl)F 7a_100000692107_100000747449 [0,2,0,0,0,0|1,0,1]=4 5291 B14R1.820 COC(=O)COc1cc(ccc1Cl)I 34a_100011356854_100000747449 [0,2,0,0,0,0|1,0,1]=4 5292 B14R1.820 COC(=O)COc1cc(ccc1Cl)I 7a_100011356854_100000747449 [0,2,0,0,0,0|1,0,1]=4 5293 B14R1.820 COC(=O)COc1cc(ccc1Cl)N 34a_100011934209_100000747449 [0,2,0,0,0,0|1,0,1]=4 5294 B14R1.820 COC(=O)COc1cc(ccc1F)Br 34a_100000686035_100000747449 [0,2,0,0,0,0|1,0,1]=4 5295 B14R1.820 COC(=O)COc1cc(ccc1F)Br 7a_100000686035_100000747449 [0,2,0,0,0,0|1,0,1]=4 5296 B14R1.820 COC(=O)COc1cc(ccc1F)C 34a_100000759540_100000747449 [0,2,0,0,0,0|1,0,1]=4 5297 B14R1.820 COC(=O)COc1cc(ccc1F)C 7a_100000759540_100000747449 [0,2,0,0,0,0|1,0,1]=4 5298 B14R1.820 COC(=O)COc1cc(ccc1F)Cl 34a_100000757397_100000747449 [0,2,0,0,0,0|1,0,1]=4 5299 B14R1.820 COC(=O)COc1cc(ccc1F)Cl 7a_100000757397_100000747449 [0,2,0,0,0,0|1,0,1]=4 5300 B14R1.820 COC(=O)COc1cc(ccc1F)F 34a_100000752141_100000747449 [0,2,0,0,0,0|1,0,1]=4 5301 B14R1.820 COC(=O)COc1cc(ccc1F)F 7a_100000752141_100000747449 [0,2,0,0,0,0|1,0,1]=4 5302 B14R1.820 COC(=O)COc1cc(ccc1F)I 34a_100009958187_100000747449 [0,2,0,0,0,0|1,0,1]=4 5303 B14R1.820 COC(=O)COc1cc(ccc1F)I 7a_100009958187_100000747449 [0,2,0,0,0,0|1,0,1]=4 5304 B14R1.820 COC(=O)COc1cc(ccc1F)N 34a_100012017398_100000747449 [0,2,0,0,0,0|1,0,1]=4 5305 B14R1.820 COC(=O)COc1cc(ccc1F)N 7a_100012017398_100000747449 [0,2,0,0,0,0|1,0,1]=4 5306 B14R1.820 COC(=O)COc1cc(ccc1I)Br 34a_100012344904_100000747449 [0,2,0,0,0,0|1,0,1]=4 5307 B14R1.820 COC(=O)COc1cc(ccc1I)Br 7a_100012344904_100000747449 [0,2,0,0,0,0|1,0,1]=4 5308 B14R1.820 COC(=O)COc1cc(ccc1I)Cl 34a_100000050036_100000747449 [0,2,0,0,0,0|1,0,1]=4 5309 B14R1.820 COC(=O)COc1cc(ccc1I)Cl 7a_100000050036_100000747449 [0,2,0,0,0,0|1,0,1]=4 5310 B14R1.820 COC(=O)COc1cc(ccc1I)F 34a_100010084537_100000747449 [0,2,0,0,0,0|1,0,1]=4 5311 B14R1.820 COC(=O)COc1cc(ccc1I)F 7a_100010084537_100000747449 [0,2,0,0,0,0|1,0,1]=4 5312 B14R1.820 COC(=O)COc1cc(ccc1N)Br 34a_100000739049_100000747449 [0,2,0,0,0,0|1,0,1]=4 5313 B14R1.820 COC(=O)COc1cc(ccc1N)Br 7a_100000739049_100000747449 [0,2,0,0,0,0|1,0,1]=4 5314 B14R1.820 COC(=O)COc1cc(ccc1N)C 34a_100000211527_100000747449 [0,2,0,0,0,0|1,0,1]=4 5315 B14R1.820 COC(=O)COc1cc(ccc1N)C 7a_100000211527_100000747449 [0,2,0,0,0,0|1,0,1]=4 5316 B14R1.820 COC(=O)COc1cc(ccc1N)Cl 34a_100000185728_100000747449 [0,2,0,0,0,0|1,0,1]=4 5317 B14R1.820 COC(=O)COc1cc(ccc1N)Cl 7a_100000185728_100000747449 [0,2,0,0,0,0|1,0,1]=4 5318 B14R1.820 COC(=O)COc1cc(ccc1N)F 34a_100000753323_100000747449 [0,2,0,0,0,0|1,0,1]=4 5319 B14R1.820 COC(=O)COc1cc(ccc1N)F 7a_100000753323_100000747449 [0,2,0,0,0,0|1,0,1]=4 5320 B14R1.820 COC(=O)COc1cc(ccc1N)I 34a_100000057187_100000747449 [0,2,0,0,0,0|1,0,1]=4 5321 B14R1.820 COC(=O)COc1cc(ccc1N)I 7a_100000057187_100000747449 [0,2,0,0,0,0|1,0,1]=4 5322 B14R1.820 COC(=O)COc1cc(ccc1N)N 34a_100025717382_100000747449 [0,2,0,0,0,0|1,0,1]=4 5323 B14R1.820 COC(=O)COc1cc(ccc1O)F 271570a_203496583355_200012936119 [0,2,0,0,0,0|1,0,1]=4 5324 B14R1.820 COC(=O)CSc1cc(ccc1Br)Br 62a_100000747449_100011483371 [0,2,0,0,0,0|1,0,1]=4 5325 B14R1.820 COC(=O)CSc1cc(ccc1Br)Br 62a_100011483371_100000747449 [0,2,0,0,0,0|1,0,1]=4 5326 B14R1.820 COC(=O)CSc1cc(ccc1Br)C 62a_100000747449_100012353751 [0,2,0,0,0,0|1,0,1]=4 5327 B14R1.820 COC(=O)CSc1cc(ccc1Br)C 62a_100012353751_100000747449 [0,2,0,0,0,0|1,0,1]=4 5328 B14R1.820 COC(=O)CSc1cc(ccc1Br)Cl 62a_100000747449_100012339723 [0,2,0,0,0,0|1,0,1]=4 5329 B14R1.820 COC(=O)CSc1cc(ccc1Br)Cl 62a_100012339723_100000747449 [0,2,0,0,0,0|1,0,1]=4 5330 B14R1.820 COC(=O)CSc1cc(ccc1Br)F 62a_100000747449_100011217576 [0,2,0,0,0,0|1,0,1]=4 5331 B14R1.820 COC(=O)CSc1cc(ccc1Br)F 62a_100011217576_100000747449 [0,2,0,0,0,0|1,0,1]=4 5332 B14R1.820 COC(=O)CSc1cc(ccc1Br)N 62a_100000747449_100000750459 [0,2,0,0,0,0|1,0,1]=4 5333 B14R1.820 COC(=O)CSc1cc(ccc1Br)N 62a_100000750459_100000747449 [0,2,0,0,0,0|1,0,1]=4 5334 B14R1.820 COC(=O)CSc1cc(ccc1Br)O 62a_100000747449_100012339312 [0,2,0,0,0,0|1,0,1]=4 5335 B14R1.820 COC(=O)CSc1cc(ccc1Br)O 62a_100012339312_100000747449 [0,2,0,0,0,0|1,0,1]=4 5336 B14R1.820 COC(=O)CSc1cc(ccc1C)Br 62a_100000747449_100011344865 [0,2,0,0,0,0|1,0,1]=4 5337 B14R1.820 COC(=O)CSc1cc(ccc1C)Br 62a_100011344865_100000747449 [0,2,0,0,0,0|1,0,1]=4 5338 B14R1.820 COC(=O)CSc1cc(ccc1C)C 62a_100000210833_100000747449 [0,2,0,0,0,0|1,0,1]=4 5339 B14R1.820 COC(=O)CSc1cc(ccc1C)C 62a_100000747449_100000210833 [0,2,0,0,0,0|1,0,1]=4 5340 B14R1.820 COC(=O)CSc1cc(ccc1C)Cl 62a_100000747449_100011263213 [0,2,0,0,0,0|1,0,1]=4 5341 B14R1.820 COC(=O)CSc1cc(ccc1C)Cl 62a_100011263213_100000747449 [0,2,0,0,0,0|1,0,1]=4 5342 B14R1.820 COC(=O)CSc1cc(ccc1C)F 62a_100000747449_100011218078 [0,2,0,0,0,0|1,0,1]=4 5343 B14R1.820 COC(=O)CSc1cc(ccc1C)F 62a_100011218078_100000747449 [0,2,0,0,0,0|1,0,1]=4 5344 B14R1.820 COC(=O)CSc1cc(ccc1C)N 62a_100000736455_100000747449 [0,2,0,0,0,0|1,0,1]=4 5345 B14R1.820 COC(=O)CSc1cc(ccc1C)N 62a_100000747449_100000736455 [0,2,0,0,0,0|1,0,1]=4 5346 B14R1.820 COC(=O)CSc1cc(ccc1C)O 62a_100000747449_100011380479 [0,2,0,0,0,0|1,0,1]=4 5347 B14R1.820 COC(=O)CSc1cc(ccc1C)O 62a_100011380479_100000747449 [0,2,0,0,0,0|1,0,1]=4 5348 B14R1.820 COC(=O)CSc1cc(ccc1Cl)Br 62a_100000747449_100011772130 [0,2,0,0,0,0|1,0,1]=4 5349 B14R1.820 COC(=O)CSc1cc(ccc1Cl)Br 62a_100011772130_100000747449 [0,2,0,0,0,0|1,0,1]=4 5350 B14R1.820 COC(=O)CSc1cc(ccc1Cl)C 62a_100000747449_100012356289 [0,2,0,0,0,0|1,0,1]=4 5351 B14R1.820 COC(=O)CSc1cc(ccc1Cl)C 62a_100012356289_100000747449 [0,2,0,0,0,0|1,0,1]=4 5352 B14R1.820 COC(=O)CSc1cc(ccc1Cl)Cl 62a_100000707729_100000747449 [0,2,0,0,0,0|1,0,1]=4 5353 B14R1.820 COC(=O)CSc1cc(ccc1Cl)Cl 62a_100000747449_100000707729 [0,2,0,0,0,0|1,0,1]=4 5354 B14R1.820 COC(=O)CSc1cc(ccc1Cl)F 62a_100000747449_100011217299 [0,2,0,0,0,0|1,0,1]=4 5355 B14R1.820 COC(=O)CSc1cc(ccc1Cl)F 62a_100011217299_100000747449 [0,2,0,0,0,0|1,0,1]=4 5356 B14R1.820 COC(=O)CSc1cc(ccc1Cl)N 62a_100000747449_100012360549 [0,2,0,0,0,0|1,0,1]=4 5357 B14R1.820 COC(=O)CSc1cc(ccc1Cl)N 62a_100012360549_100000747449 [0,2,0,0,0,0|1,0,1]=4 5358 B14R1.820 COC(=O)CSc1cc(ccc1Cl)O 62a_100000049588_100000747449 [0,2,0,0,0,0|1,0,1]=4 5359 B14R1.820 COC(=O)CSc1cc(ccc1Cl)O 62a_100000747449_100000049588 [0,2,0,0,0,0|1,0,1]=4 5360 B14R1.820 COC(=O)CSc1cc(ccc1F)Br 62a_100000747449_100011217312 [0,2,0,0,0,0|1,0,1]=4 5361 B14R1.820 COC(=O)CSc1cc(ccc1F)Br 62a_100011217312_100000747449 [0,2,0,0,0,0|1,0,1]=4 5362 B14R1.820 COC(=O)CSc1cc(ccc1F)C 62a_100000736223_100000747449 [0,2,0,0,0,0|1,0,1]=4 5363 B14R1.820 COC(=O)CSc1cc(ccc1F)C 62a_100000747449_100000736223 [0,2,0,0,0,0|1,0,1]=4 5364 B14R1.820 COC(=O)CSc1cc(ccc1F)Cl 62a_100000747449_100011218116 [0,2,0,0,0,0|1,0,1]=4 5365 B14R1.820 COC(=O)CSc1cc(ccc1F)Cl 62a_100011218116_100000747449 [0,2,0,0,0,0|1,0,1]=4 5366 B14R1.820 COC(=O)CSc1cc(ccc1F)F 62a_100000747449_100011219198 [0,2,0,0,0,0|1,0,1]=4 5367 B14R1.820 COC(=O)CSc1cc(ccc1F)F 62a_100011219198_100000747449 [0,2,0,0,0,0|1,0,1]=4 5368 B14R1.820 COC(=O)CSc1cc(ccc1F)N 62a_100000747449_100000760356 [0,2,0,0,0,0|1,0,1]=4 5369 B14R1.820 COC(=O)CSc1cc(ccc1F)N 62a_100000760356_100000747449 [0,2,0,0,0,0|1,0,1]=4 5370 B14R1.820 COC(=O)CSc1cc(ccc1F)O 62a_100000693481_100000747449 [0,2,0,0,0,0|1,0,1]=4 5371 B14R1.820 COC(=O)CSc1cc(ccc1F)O 62a_100000747449_100000693481 [0,2,0,0,0,0|1,0,1]=4 5372 B14R1.820 COC(=O)CSc1cc(ccc1N)Br 62a_100000187925_100000747449 [0,2,0,0,0,0|1,0,1]=4 5373 B14R1.820 COC(=O)CSc1cc(ccc1N)Br 62a_100000747449_100000187925 [0,2,0,0,0,0|1,0,1]=4 5374 B14R1.820 COC(=O)CSc1cc(ccc1N)C 62a_100000747449_100011356834 [0,2,0,0,0,0|1,0,1]=4 5375 B14R1.820 COC(=O)CSc1cc(ccc1N)C 62a_100011356834_100000747449 [0,2,0,0,0,0|1,0,1]=4 5376 B14R1.820 COC(=O)CSc1cc(ccc1N)Cl 62a_100000747449_100000761889 [0,2,0,0,0,0|1,0,1]=4 5377 B14R1.820 COC(=O)CSc1cc(ccc1N)Cl 62a_100000761889_100000747449 [0,2,0,0,0,0|1,0,1]=4 5378 B14R1.820 COC(=O)CSc1cc(ccc1N)F 62a_100000747449_100000760547 [0,2,0,0,0,0|1,0,1]=4 5379 B14R1.820 COC(=O)CSc1cc(ccc1N)F 62a_100000760547_100000747449 [0,2,0,0,0,0|1,0,1]=4 5380 B14R1.820 COC(=O)CSc1cc(ccc1N)N 62a_100000747449_100011534242 [0,2,0,0,0,0|1,0,1]=4 5381 B14R1.820 COC(=O)CSc1cc(ccc1N)N 62a_100011534242_100000747449 [0,2,0,0,0,0|1,0,1]=4 5382 B14R1.820 COC(=O)CSc1cc(ccc1N)O 62a_100000747449_100012001276 [0,2,0,0,0,0|1,0,1]=4 5383 B14R1.820 COC(=O)CSc1cc(ccc1N)O 62a_100012001276_100000747449 [0,2,0,0,0,0|1,0,1]=4 5384 B14R1.820 COC(=O)CSc1cc(ccc1O)Br 62a_100000747449_100012355227 [0,2,0,0,0,0|1,0,1]=4 5385 B14R1.820 COC(=O)CSc1cc(ccc1O)Br 62a_100012355227_100000747449 [0,2,0,0,0,0|1,0,1]=4 5386 B14R1.820 COC(=O)CSc1cc(ccc1O)C 62a_100000747449_100000765521 [0,2,0,0,0,0|1,0,1]=4 5387 B14R1.820 COC(=O)CSc1cc(ccc1O)C 62a_100000765521_100000747449 [0,2,0,0,0,0|1,0,1]=4 5388 B14R1.820 COC(=O)CSc1cc(ccc1O)Cl 62a_100000747449_100011356953 [0,2,0,0,0,0|1,0,1]=4 5389 B14R1.820 COC(=O)CSc1cc(ccc1O)Cl 62a_100011356953_100000747449 [0,2,0,0,0,0|1,0,1]=4 5390 B14R1.820 COC(=O)CSc1cc(ccc1O)F 62a_100000211999_100000747449 [0,2,0,0,0,0|1,0,1]=4 5391 B14R1.820 COC(=O)CSc1cc(ccc1O)F 62a_100000747449_100000211999 [0,2,0,0,0,0|1,0,1]=4 5392 B14R1.820 COC(=O)CSc1cc(ccc1O)N 62a_100000747449_100011534360 [0,2,0,0,0,0|1,0,1]=4 5393 B14R1.820 COC(=O)CSc1cc(ccc1O)N 62a_100011534360_100000747449 [0,2,0,0,0,0|1,0,1]=4 5394 B14R1.820 COC(=O)CSc1cc(ccc1O)O 62a_100000747449_100009813629 [0,2,0,0,0,0|1,0,1]=4 5395 B14R1.820 Cc1ccc(c(c1)C=CC(=O)CBr)F 6a_100000756917_100009888967 [0,2,0,0,0,0|2,0,0]=4 5396 B14R1.820 Cc1ccc(c(c1)C=CC(=O)CBr)I 6a_100010150105_100009888967 [0,2,0,0,0,0|2,0,0]=4 5397 B14R1.820 Cc1ccc(c(c1)C=CC(=O)CCl)F 6a_100000756917_100000086384 [0,2,0,0,0,0|2,0,0]=4 5398 B14R1.820 Cc1ccc(c(c1)C=CC(=O)CCl)I 6a_100010150105_100000086384 [0,2,0,0,0,0|2,0,0]=4 5399 B14R1.820 Cc1ccc(c(c1)C=CC(=O)CF)F 1458a_100102526132_100015361967 [0,2,0,0,0,0|2,0,0]=4 5400 B14R1.820 Cc1ccc(c(c1)C=CC(=O)CF)F 6a_100000756917_100000764096 [0,2,0,0,0,0|2,0,0]=4 5401 B14R1.820 Cc1ccc(c(c1)C=CC(=O)CF)I 6a_100010150105_100000764096 [0,2,0,0,0,0|2,0,0]=4 5402 B14R1.820 O=C(C=Cc1cc(ccc1Br)F)CF 1458a_100102525183_100015361967 [0,2,0,0,0,0|2,0,0]=4 5403 B14R1.820 O=C(C=Cc1cc(ccc1Br)I)CBr 6a_100010185652_100009888967 [0,2,0,0,0,0|2,0,0]=4 5404 B14R1.820 O=C(C=Cc1cc(ccc1Br)I)CCl 6a_100010185652_100000086384 [0,2,0,0,0,0|2,0,0]=4 5405 B14R1.820 O=C(C=Cc1cc(ccc1Br)I)CF 6a_100010185652_100000764096 [0,2,0,0,0,0|2,0,0]=4 5406 B14R1.820 O=C(C=Cc1cc(ccc1Cl)Cl)CF 1458a_100000234794_100015361967 [0,2,0,0,0,0|2,0,0]=4 5407 B14R1.820 O=C(C=Cc1cc(ccc1Cl)I)CBr 6a_100010254384_100009888967 [0,2,0,0,0,0|2,0,0]=4 5408 B14R1.820 O=C(C=Cc1cc(ccc1Cl)I)CCl 6a_100010254384_100000086384 [0,2,0,0,0,0|2,0,0]=4 5409 B14R1.820 O=C(C=Cc1cc(ccc1Cl)I)CF 6a_100010254384_100000764096 [0,2,0,0,0,0|2,0,0]=4 5410 B14R1.820 O=C(C=Cc1cc(ccc1F)Br)CBr 6a_100000211465_100009888967 [0,2,0,0,0,0|2,0,0]=4 5411 B14R1.820 O=C(C=Cc1cc(ccc1F)Br)CCl 6a_100000211465_100000086384 [0,2,0,0,0,0|2,0,0]=4 5412 B14R1.820 O=C(C=Cc1cc(ccc1F)Br)CF 1458a_100000718207_100015361967 [0,2,0,0,0,0|2,0,0]=4 5413 B14R1.820 O=C(C=Cc1cc(ccc1F)Br)CF 6a_100000211465_100000764096 [0,2,0,0,0,0|2,0,0]=4 5414 B14R1.820 O=C(C=Cc1cc(ccc1F)Cl)CBr 6a_100000745245_100009888967 [0,2,0,0,0,0|2,0,0]=4 5415 B14R1.820 O=C(C=Cc1cc(ccc1F)Cl)CCl 6a_100000745245_100000086384 [0,2,0,0,0,0|2,0,0]=4 5416 B14R1.820 O=C(C=Cc1cc(ccc1F)Cl)CF 6a_100000745245_100000764096 [0,2,0,0,0,0|2,0,0]=4 5417 B14R1.820 O=C(C=Cc1cc(ccc1F)F)CBr 6a_100000740046_100009888967 [0,2,0,0,0,0|2,0,0]=4 5418 B14R1.820 O=C(C=Cc1cc(ccc1F)F)CCl 6a_100000740046_100000086384 [0,2,0,0,0,0|2,0,0]=4 5419 B14R1.820 O=C(C=Cc1cc(ccc1F)F)CF 1458a_100000744626_100015361967 [0,2,0,0,0,0|2,0,0]=4 5420 B14R1.820 O=C(C=Cc1cc(ccc1F)F)CF 6a_100000740046_100000764096 [0,2,0,0,0,0|2,0,0]=4 5421 B14R1.820 O=C(C=Cc1cc(ccc1F)I)CBr 6a_100000050626_100009888967 [0,2,0,0,0,0|2,0,0]=4 5422 B14R1.820 O=C(C=Cc1cc(ccc1F)I)CCl 6a_100000050626_100000086384 [0,2,0,0,0,0|2,0,0]=4 5423 B14R1.820 O=C(C=Cc1cc(ccc1F)I)CF 6a_100000050626_100000764096 [0,2,0,0,0,0|2,0,0]=4 5424 B14R1.820 O=C(C=Cc1cc(ccc1I)Br)CBr 6a_100010185651_100009888967 [0,2,0,0,0,0|2,0,0]=4 5425 B14R1.820 O=C(C=Cc1cc(ccc1I)Br)CCl 6a_100010185651_100000086384 [0,2,0,0,0,0|2,0,0]=4 5426 B14R1.820 O=C(C=Cc1cc(ccc1I)Br)CF 6a_100010185651_100000764096 [0,2,0,0,0,0|2,0,0]=4 5427 B14R1.820 O=C(C=Cc1cc(ccc1I)Cl)CBr 6a_100010254386_100009888967 [0,2,0,0,0,0|2,0,0]=4 5428 B14R1.820 O=C(C=Cc1cc(ccc1I)Cl)CCl 6a_100010254386_100000086384 [0,2,0,0,0,0|2,0,0]=4 5429 B14R1.820 O=C(C=Cc1cc(ccc1I)Cl)CF 6a_100010254386_100000764096 [0,2,0,0,0,0|2,0,0]=4 5430 B14R1.820 O=C(C=Cc1cc(ccc1I)F)CBr 6a_100010186294_100009888967 [0,2,0,0,0,0|2,0,0]=4 5431 B14R1.820 O=C(C=Cc1cc(ccc1I)F)CCl 6a_100010186294_100000086384 [0,2,0,0,0,0|2,0,0]=4 5432 B14R1.820 O=C(C=Cc1cc(ccc1I)F)CF 6a_100010186294_100000764096 [0,2,0,0,0,0|2,0,0]=4 5433 B14R1.820 O=C(C=Cc1cc(ccc1I)O)CBr 6a_100000069132_100009888967 [0,2,0,0,0,0|2,0,0]=4 5434 B14R1.820 O=C(C=Cc1cc(ccc1I)O)CCl 6a_100000069132_100000086384 [0,2,0,0,0,0|2,0,0]=4 5435 B14R1.820 O=C(C=Cc1cc(ccc1I)O)CF 6a_100000069132_100000764096 [0,2,0,0,0,0|2,0,0]=4 5436 B14R1.820 O=C(C=Cc1cc(ccc1O)I)CBr 6a_100011215628_100009888967 [0,2,0,0,0,0|2,0,0]=4 5437 B14R1.820 O=C(C=Cc1cc(ccc1O)I)CCl 6a_100011215628_100000086384 [0,2,0,0,0,0|2,0,0]=4 5438 B14R1.820 O=C(C=Cc1cc(ccc1O)I)CF 6a_100011215628_100000764096 [0,2,0,0,0,0|2,0,0]=4 5439 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)Br)Br 6a_100000719502_100000211110 [0,2,0,0,0,0|1,0,0]=3 5440 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)Br)C 6a_100000686105_100000211110 [0,2,0,0,0,0|1,0,0]=3 5441 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)Br)Cl 6a_100011934515_100000211110 [0,2,0,0,0,0|1,0,0]=3 5442 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)Br)F 6a_100011794424_100000211110 [0,2,0,0,0,0|1,0,0]=3 5443 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)Br)O 6a_100010176088_100000211110 [0,2,0,0,0,0|1,0,0]=3 5444 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)C)C 1458a_100016257640_100000210202 [0,2,0,0,0,0|1,0,0]=3 5445 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)C)C 6a_100000745632_100000211110 [0,2,0,0,0,0|1,0,0]=3 5446 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)Cl)C 6a_100000684525_100000211110 [0,2,0,0,0,0|1,0,0]=3 5447 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_100000210202 [0,2,0,0,0,0|1,0,0]=3 5448 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)Cl)Cl 6a_100000741761_100000211110 [0,2,0,0,0,0|1,0,0]=3 5449 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_100000210202 [0,2,0,0,0,0|1,0,0]=3 5450 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)Cl)F 6a_100000703917_100000211110 [0,2,0,0,0,0|1,0,0]=3 5451 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)Cl)O 6a_100000050827_100000211110 [0,2,0,0,0,0|1,0,0]=3 5452 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)F)C 1458a_100102526130_100000210202 [0,2,0,0,0,0|1,0,0]=3 5453 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)F)C 6a_100011217087_100000211110 [0,2,0,0,0,0|1,0,0]=3 5454 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_100000210202 [0,2,0,0,0,0|1,0,0]=3 5455 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)F)F 6a_100000743029_100000211110 [0,2,0,0,0,0|1,0,0]=3 5456 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)F)O 6a_100000703664_100000211110 [0,2,0,0,0,0|1,0,0]=3 5457 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)I)Br 6a_100010185649_100000211110 [0,2,0,0,0,0|1,0,0]=3 5458 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)I)F 6a_100010185655_100000211110 [0,2,0,0,0,0|1,0,0]=3 5459 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)I)I 6a_100010185653_100000211110 [0,2,0,0,0,0|1,0,0]=3 5460 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)O)C 6a_100009853434_100000211110 [0,2,0,0,0,0|1,0,0]=3 5461 B14R1.825 CCC(=O)C=Cc1cc(cc(c1)O)O 6a_100000043415_100000211110 [0,2,0,0,0,0|1,0,0]=3 5462 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)C)C 11a_106832991635_100016257640 [0,2,0,0,0,0|1,0,0]=3 5463 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)C)C 1626a_100102657272_100016257640 [0,2,0,0,0,0|1,0,0]=3 5464 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)C)C 240690a_100102657272_100016257640 [0,2,0,0,0,0|1,0,0]=3 5465 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)Cl)Cl 11a_106832991635_100000234795 [0,2,0,0,0,0|1,0,0]=3 5466 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)Cl)Cl 1626a_100102657272_100000234795 [0,2,0,0,0,0|1,0,0]=3 5467 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)Cl)Cl 240690a_100102657272_100000234795 [0,2,0,0,0,0|1,0,0]=3 5468 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)Cl)F 11a_106832991635_100012349021 [0,2,0,0,0,0|1,0,0]=3 5469 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)Cl)F 1626a_100102657272_100012349021 [0,2,0,0,0,0|1,0,0]=3 5470 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)Cl)F 240690a_100102657272_100012349021 [0,2,0,0,0,0|1,0,0]=3 5471 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)F)C 11a_106832991635_100102526130 [0,2,0,0,0,0|1,0,0]=3 5472 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)F)C 1626a_100102657272_100102526130 [0,2,0,0,0,0|1,0,0]=3 5473 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)F)C 240690a_100102657272_100102526130 [0,2,0,0,0,0|1,0,0]=3 5474 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)F)F 11a_106832991635_100015207409 [0,2,0,0,0,0|1,0,0]=3 5475 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)F)F 1626a_100102657272_100015207409 [0,2,0,0,0,0|1,0,0]=3 5476 B14R1.825 CNC(=O)C=Cc1cc(cc(c1)F)F 240690a_100102657272_100015207409 [0,2,0,0,0,0|1,0,0]=3 5477 B14R1.825 COC(=O)CNc1cc(cc(c1)Br)Br 34a_100012047176_100000747449 [0,2,0,0,0,0|1,0,1]=4 5478 B14R1.825 COC(=O)CNc1cc(cc(c1)Br)Br 7a_100012047176_100000747449 [0,2,0,0,0,0|1,0,1]=4 5479 B14R1.825 COC(=O)CNc1cc(cc(c1)Br)C 34a_100000695972_100000747449 [0,2,0,0,0,0|1,0,1]=4 5480 B14R1.825 COC(=O)CNc1cc(cc(c1)Br)C 7a_100000695972_100000747449 [0,2,0,0,0,0|1,0,1]=4 5481 B14R1.825 COC(=O)CNc1cc(cc(c1)Br)Cl 34a_100011934539_100000747449 [0,2,0,0,0,0|1,0,1]=4 5482 B14R1.825 COC(=O)CNc1cc(cc(c1)Br)Cl 7a_100011934539_100000747449 [0,2,0,0,0,0|1,0,1]=4 5483 B14R1.825 COC(=O)CNc1cc(cc(c1)Br)F 34a_100000705686_100000747449 [0,2,0,0,0,0|1,0,1]=4 5484 B14R1.825 COC(=O)CNc1cc(cc(c1)Br)F 7a_100000705686_100000747449 [0,2,0,0,0,0|1,0,1]=4 5485 B14R1.825 COC(=O)CNc1cc(cc(c1)C)C 2230a_100000210930_100000747449 [0,2,0,0,0,0|1,0,1]=4 5486 B14R1.825 COC(=O)CNc1cc(cc(c1)C)C 34a_100000210930_100000747449 [0,2,0,0,0,0|1,0,1]=4 5487 B14R1.825 COC(=O)CNc1cc(cc(c1)C)C 7a_100000210930_100000747449 [0,2,0,0,0,0|1,0,1]=4 5488 B14R1.825 COC(=O)CNc1cc(cc(c1)Cl)C 2230a_100012022512_100000747449 [0,2,0,0,0,0|1,0,1]=4 5489 B14R1.825 COC(=O)CNc1cc(cc(c1)Cl)C 34a_100012022512_100000747449 [0,2,0,0,0,0|1,0,1]=4 5490 B14R1.825 COC(=O)CNc1cc(cc(c1)Cl)C 7a_100012022512_100000747449 [0,2,0,0,0,0|1,0,1]=4 5491 B14R1.825 COC(=O)CNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000747449 [0,2,0,0,0,0|1,0,1]=4 5492 B14R1.825 COC(=O)CNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000747449 [0,2,0,0,0,0|1,0,1]=4 5493 B14R1.825 COC(=O)CNc1cc(cc(c1)Cl)F 34a_100000686136_100000747449 [0,2,0,0,0,0|1,0,1]=4 5494 B14R1.825 COC(=O)CNc1cc(cc(c1)Cl)F 7a_100000686136_100000747449 [0,2,0,0,0,0|1,0,1]=4 5495 B14R1.825 COC(=O)CNc1cc(cc(c1)Cl)O 34a_100000123917_100000747449 [0,2,0,0,0,0|1,0,1]=4 5496 B14R1.825 COC(=O)CNc1cc(cc(c1)Cl)O 7a_100000123917_100000747449 [0,2,0,0,0,0|1,0,1]=4 5497 B14R1.825 COC(=O)CNc1cc(cc(c1)F)C 2230a_100000742734_100000747449 [0,2,0,0,0,0|1,0,1]=4 5498 B14R1.825 COC(=O)CNc1cc(cc(c1)F)C 34a_100000742734_100000747449 [0,2,0,0,0,0|1,0,1]=4 5499 B14R1.825 COC(=O)CNc1cc(cc(c1)F)C 7a_100000742734_100000747449 [0,2,0,0,0,0|1,0,1]=4 5500 B14R1.825 COC(=O)CNc1cc(cc(c1)F)F 34a_100000233717_100000747449 [0,2,0,0,0,0|1,0,1]=4 5501 B14R1.825 COC(=O)CNc1cc(cc(c1)F)F 7a_100000233717_100000747449 [0,2,0,0,0,0|1,0,1]=4 5502 B14R1.825 COC(=O)CNc1cc(cc(c1)I)Br 7a_100009814763_100000747449 [0,2,0,0,0,0|1,0,1]=4 5503 B14R1.825 COC(=O)CNc1cc(cc(c1)I)Cl 7a_100010147676_100000747449 [0,2,0,0,0,0|1,0,1]=4 5504 B14R1.825 COC(=O)CNc1cc(cc(c1)I)F 34a_100011356972_100000747449 [0,2,0,0,0,0|1,0,1]=4 5505 B14R1.825 COC(=O)CNc1cc(cc(c1)I)F 7a_100011356972_100000747449 [0,2,0,0,0,0|1,0,1]=4 5506 B14R1.825 COC(=O)CNc1cc(cc(c1)I)I 7a_200000696836_100000747449 [0,2,0,0,0,0|1,0,1]=4 5507 B14R1.825 COC(=O)CNc1cc(cc(c1)O)C 34a_100011995906_100000747449 [0,2,0,0,0,0|1,0,1]=4 5508 B14R1.825 COC(=O)CNc1cc(cc(c1)O)C 7a_100011995906_100000747449 [0,2,0,0,0,0|1,0,1]=4 5509 B14R1.825 COC(=O)CNc1cc(cc(c1)O)O 34a_100000043371_100000747449 [0,2,0,0,0,0|1,0,1]=4 5510 B14R1.825 COC(=O)COc1cc(cc(c1)Br)Br 34a_100010167048_100000747449 [0,2,0,0,0,0|1,0,1]=4 5511 B14R1.825 COC(=O)COc1cc(cc(c1)Br)Br 7a_100010167048_100000747449 [0,2,0,0,0,0|1,0,1]=4 5512 B14R1.825 COC(=O)COc1cc(cc(c1)Br)C 34a_100011999630_100000747449 [0,2,0,0,0,0|1,0,1]=4 5513 B14R1.825 COC(=O)COc1cc(cc(c1)Br)C 7a_100011999630_100000747449 [0,2,0,0,0,0|1,0,1]=4 5514 B14R1.825 COC(=O)COc1cc(cc(c1)Br)Cl 34a_100010185897_100000747449 [0,2,0,0,0,0|1,0,1]=4 5515 B14R1.825 COC(=O)COc1cc(cc(c1)Br)Cl 7a_100010185897_100000747449 [0,2,0,0,0,0|1,0,1]=4 5516 B14R1.825 COC(=O)COc1cc(cc(c1)Br)F 34a_100000688818_100000747449 [0,2,0,0,0,0|1,0,1]=4 5517 B14R1.825 COC(=O)COc1cc(cc(c1)Br)F 7a_100000688818_100000747449 [0,2,0,0,0,0|1,0,1]=4 5518 B14R1.825 COC(=O)COc1cc(cc(c1)C)C 34a_100000210933_100000747449 [0,2,0,0,0,0|1,0,1]=4 5519 B14R1.825 COC(=O)COc1cc(cc(c1)C)C 7a_100000210933_100000747449 [0,2,0,0,0,0|1,0,1]=4 5520 B14R1.825 COC(=O)COc1cc(cc(c1)Cl)C 34a_100000087485_100000747449 [0,2,0,0,0,0|1,0,1]=4 5521 B14R1.825 COC(=O)COc1cc(cc(c1)Cl)C 7a_100000087485_100000747449 [0,2,0,0,0,0|1,0,1]=4 5522 B14R1.825 COC(=O)COc1cc(cc(c1)Cl)Cl 34a_100000181315_100000747449 [0,2,0,0,0,0|1,0,1]=4 5523 B14R1.825 COC(=O)COc1cc(cc(c1)Cl)Cl 7a_100000181315_100000747449 [0,2,0,0,0,0|1,0,1]=4 5524 B14R1.825 COC(=O)COc1cc(cc(c1)Cl)F 34a_100011219751_100000747449 [0,2,0,0,0,0|1,0,1]=4 5525 B14R1.825 COC(=O)COc1cc(cc(c1)Cl)F 7a_100011219751_100000747449 [0,2,0,0,0,0|1,0,1]=4 5526 B14R1.825 COC(=O)COc1cc(cc(c1)Cl)N 34a_100000123917_100000747449 [0,2,0,0,0,0|1,0,1]=4 5527 B14R1.825 COC(=O)COc1cc(cc(c1)Cl)N 7a_100000123917_100000747449 [0,2,0,0,0,0|1,0,1]=4 5528 B14R1.825 COC(=O)COc1cc(cc(c1)F)C 34a_100011830401_100000747449 [0,2,0,0,0,0|1,0,1]=4 5529 B14R1.825 COC(=O)COc1cc(cc(c1)F)C 7a_100011830401_100000747449 [0,2,0,0,0,0|1,0,1]=4 5530 B14R1.825 COC(=O)COc1cc(cc(c1)F)F 34a_100000747503_100000747449 [0,2,0,0,0,0|1,0,1]=4 5531 B14R1.825 COC(=O)COc1cc(cc(c1)F)F 7a_100000747503_100000747449 [0,2,0,0,0,0|1,0,1]=4 5532 B14R1.825 COC(=O)COc1cc(cc(c1)I)Br 34a_100010068917_100000747449 [0,2,0,0,0,0|1,0,1]=4 5533 B14R1.825 COC(=O)COc1cc(cc(c1)I)Br 7a_100010068917_100000747449 [0,2,0,0,0,0|1,0,1]=4 5534 B14R1.825 COC(=O)COc1cc(cc(c1)I)Cl 34a_100010068924_100000747449 [0,2,0,0,0,0|1,0,1]=4 5535 B14R1.825 COC(=O)COc1cc(cc(c1)I)Cl 7a_100010068924_100000747449 [0,2,0,0,0,0|1,0,1]=4 5536 B14R1.825 COC(=O)COc1cc(cc(c1)I)F 34a_100000717995_100000747449 [0,2,0,0,0,0|1,0,1]=4 5537 B14R1.825 COC(=O)COc1cc(cc(c1)I)F 7a_100000717995_100000747449 [0,2,0,0,0,0|1,0,1]=4 5538 B14R1.825 COC(=O)COc1cc(cc(c1)N)C 34a_100011995906_100000747449 [0,2,0,0,0,0|1,0,1]=4 5539 B14R1.825 COC(=O)COc1cc(cc(c1)N)C 7a_100011995906_100000747449 [0,2,0,0,0,0|1,0,1]=4 5540 B14R1.825 COC(=O)COc1cc(cc(c1)O)C 271570a_203496583355_100153394732 [0,2,0,0,0,0|1,0,1]=4 5541 B14R1.825 COC(=O)CSc1cc(cc(c1)Br)Br 62a_100000747449_100009814770 [0,2,0,0,0,0|1,0,1]=4 5542 B14R1.825 COC(=O)CSc1cc(cc(c1)Br)Br 62a_100009814770_100000747449 [0,2,0,0,0,0|1,0,1]=4 5543 B14R1.825 COC(=O)CSc1cc(cc(c1)Br)Cl 62a_100000747449_100009814755 [0,2,0,0,0,0|1,0,1]=4 5544 B14R1.825 COC(=O)CSc1cc(cc(c1)Br)Cl 62a_100009814755_100000747449 [0,2,0,0,0,0|1,0,1]=4 5545 B14R1.825 COC(=O)CSc1cc(cc(c1)Br)F 62a_100000747449_100009814764 [0,2,0,0,0,0|1,0,1]=4 5546 B14R1.825 COC(=O)CSc1cc(cc(c1)Br)F 62a_100009814764_100000747449 [0,2,0,0,0,0|1,0,1]=4 5547 B14R1.825 COC(=O)CSc1cc(cc(c1)Br)N 62a_100000747449_100009814763 [0,2,0,0,0,0|1,0,1]=4 5548 B14R1.825 COC(=O)CSc1cc(cc(c1)Br)N 62a_100009814763_100000747449 [0,2,0,0,0,0|1,0,1]=4 5549 B14R1.825 COC(=O)CSc1cc(cc(c1)Br)O 62a_100000747449_100010068917 [0,2,0,0,0,0|1,0,1]=4 5550 B14R1.825 COC(=O)CSc1cc(cc(c1)Br)O 62a_100010068917_100000747449 [0,2,0,0,0,0|1,0,1]=4 5551 B14R1.825 COC(=O)CSc1cc(cc(c1)C)C 62a_100000747449_100011215608 [0,2,0,0,0,0|1,0,1]=4 5552 B14R1.825 COC(=O)CSc1cc(cc(c1)C)C 62a_100011215608_100000747449 [0,2,0,0,0,0|1,0,1]=4 5553 B14R1.825 COC(=O)CSc1cc(cc(c1)Cl)C 62a_100000747449_100010172791 [0,2,0,0,0,0|1,0,1]=4 5554 B14R1.825 COC(=O)CSc1cc(cc(c1)Cl)C 62a_100010172791_100000747449 [0,2,0,0,0,0|1,0,1]=4 5555 B14R1.825 COC(=O)CSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000747449 [0,2,0,0,0,0|1,0,1]=4 5556 B14R1.825 COC(=O)CSc1cc(cc(c1)Cl)Cl 62a_100000747449_100000747138 [0,2,0,0,0,0|1,0,1]=4 5557 B14R1.825 COC(=O)CSc1cc(cc(c1)Cl)F 62a_100000747449_100013859453 [0,2,0,0,0,0|1,0,1]=4 5558 B14R1.825 COC(=O)CSc1cc(cc(c1)Cl)F 62a_100013859453_100000747449 [0,2,0,0,0,0|1,0,1]=4 5559 B14R1.825 COC(=O)CSc1cc(cc(c1)Cl)N 62a_100000747449_100010147676 [0,2,0,0,0,0|1,0,1]=4 5560 B14R1.825 COC(=O)CSc1cc(cc(c1)Cl)N 62a_100010147676_100000747449 [0,2,0,0,0,0|1,0,1]=4 5561 B14R1.825 COC(=O)CSc1cc(cc(c1)Cl)O 62a_100000747449_100010068924 [0,2,0,0,0,0|1,0,1]=4 5562 B14R1.825 COC(=O)CSc1cc(cc(c1)Cl)O 62a_100010068924_100000747449 [0,2,0,0,0,0|1,0,1]=4 5563 B14R1.825 COC(=O)CSc1cc(cc(c1)F)C 62a_100000747449_100011356977 [0,2,0,0,0,0|1,0,1]=4 5564 B14R1.825 COC(=O)CSc1cc(cc(c1)F)C 62a_100011356977_100000747449 [0,2,0,0,0,0|1,0,1]=4 5565 B14R1.825 COC(=O)CSc1cc(cc(c1)F)F 62a_100000233788_100000747449 [0,2,0,0,0,0|1,0,1]=4 5566 B14R1.825 COC(=O)CSc1cc(cc(c1)F)F 62a_100000747449_100000233788 [0,2,0,0,0,0|1,0,1]=4 5567 B14R1.825 COC(=O)CSc1cc(cc(c1)F)N 62a_100000747449_100011356972 [0,2,0,0,0,0|1,0,1]=4 5568 B14R1.825 COC(=O)CSc1cc(cc(c1)F)N 62a_100011356972_100000747449 [0,2,0,0,0,0|1,0,1]=4 5569 B14R1.825 COC(=O)CSc1cc(cc(c1)F)O 62a_100000688818_100000747449 [0,2,0,0,0,0|1,0,1]=4 5570 B14R1.825 COC(=O)CSc1cc(cc(c1)F)O 62a_100000747449_100000688818 [0,2,0,0,0,0|1,0,1]=4 5571 B14R1.825 COC(=O)CSc1cc(cc(c1)N)C 62a_100000695972_100000747449 [0,2,0,0,0,0|1,0,1]=4 5572 B14R1.825 COC(=O)CSc1cc(cc(c1)N)C 62a_100000747449_100000695972 [0,2,0,0,0,0|1,0,1]=4 5573 B14R1.825 COC(=O)CSc1cc(cc(c1)N)N 62a_100000747449_100011999608 [0,2,0,0,0,0|1,0,1]=4 5574 B14R1.825 COC(=O)CSc1cc(cc(c1)N)N 62a_100011999608_100000747449 [0,2,0,0,0,0|1,0,1]=4 5575 B14R1.825 COC(=O)CSc1cc(cc(c1)O)C 62a_100000747449_100011999630 [0,2,0,0,0,0|1,0,1]=4 5576 B14R1.825 COC(=O)CSc1cc(cc(c1)O)O 62a_100000747449_100009868816 [0,2,0,0,0,0|1,0,1]=4 5577 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CBr)Br 6a_100000686105_100009888967 [0,2,0,0,0,0|2,0,0]=4 5578 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CBr)C 6a_100000745632_100009888967 [0,2,0,0,0,0|2,0,0]=4 5579 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CBr)Cl 6a_100000684525_100009888967 [0,2,0,0,0,0|2,0,0]=4 5580 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CBr)F 6a_100011217087_100009888967 [0,2,0,0,0,0|2,0,0]=4 5581 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CBr)O 6a_100009853434_100009888967 [0,2,0,0,0,0|2,0,0]=4 5582 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CCl)Br 6a_100000686105_100000086384 [0,2,0,0,0,0|2,0,0]=4 5583 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CCl)C 6a_100000745632_100000086384 [0,2,0,0,0,0|2,0,0]=4 5584 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CCl)Cl 6a_100000684525_100000086384 [0,2,0,0,0,0|2,0,0]=4 5585 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CCl)F 6a_100011217087_100000086384 [0,2,0,0,0,0|2,0,0]=4 5586 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CCl)O 6a_100009853434_100000086384 [0,2,0,0,0,0|2,0,0]=4 5587 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CF)Br 6a_100000686105_100000764096 [0,2,0,0,0,0|2,0,0]=4 5588 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CF)C 1458a_100016257640_100015361967 [0,2,0,0,0,0|2,0,0]=4 5589 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CF)C 6a_100000745632_100000764096 [0,2,0,0,0,0|2,0,0]=4 5590 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CF)Cl 6a_100000684525_100000764096 [0,2,0,0,0,0|2,0,0]=4 5591 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CF)F 1458a_100102526130_100015361967 [0,2,0,0,0,0|2,0,0]=4 5592 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CF)F 6a_100011217087_100000764096 [0,2,0,0,0,0|2,0,0]=4 5593 B14R1.825 Cc1cc(cc(c1)C=CC(=O)CF)O 6a_100009853434_100000764096 [0,2,0,0,0,0|2,0,0]=4 5594 B14R1.825 O=C(C=Cc1cc(cc(c1)Br)Br)CBr 6a_100000719502_100009888967 [0,2,0,0,0,0|2,0,0]=4 5595 B14R1.825 O=C(C=Cc1cc(cc(c1)Br)Br)CCl 6a_100000719502_100000086384 [0,2,0,0,0,0|2,0,0]=4 5596 B14R1.825 O=C(C=Cc1cc(cc(c1)Br)Br)CF 6a_100000719502_100000764096 [0,2,0,0,0,0|2,0,0]=4 5597 B14R1.825 O=C(C=Cc1cc(cc(c1)Br)Cl)CBr 6a_100011934515_100009888967 [0,2,0,0,0,0|2,0,0]=4 5598 B14R1.825 O=C(C=Cc1cc(cc(c1)Br)Cl)CCl 6a_100011934515_100000086384 [0,2,0,0,0,0|2,0,0]=4 5599 B14R1.825 O=C(C=Cc1cc(cc(c1)Br)Cl)CF 6a_100011934515_100000764096 [0,2,0,0,0,0|2,0,0]=4 5600 B14R1.825 O=C(C=Cc1cc(cc(c1)Br)F)CBr 6a_100011794424_100009888967 [0,2,0,0,0,0|2,0,0]=4 5601 B14R1.825 O=C(C=Cc1cc(cc(c1)Br)F)CCl 6a_100011794424_100000086384 [0,2,0,0,0,0|2,0,0]=4 5602 B14R1.825 O=C(C=Cc1cc(cc(c1)Br)F)CF 6a_100011794424_100000764096 [0,2,0,0,0,0|2,0,0]=4 5603 B14R1.825 O=C(C=Cc1cc(cc(c1)Br)O)CBr 6a_100010176088_100009888967 [0,2,0,0,0,0|2,0,0]=4 5604 B14R1.825 O=C(C=Cc1cc(cc(c1)Br)O)CCl 6a_100010176088_100000086384 [0,2,0,0,0,0|2,0,0]=4 5605 B14R1.825 O=C(C=Cc1cc(cc(c1)Br)O)CF 6a_100010176088_100000764096 [0,2,0,0,0,0|2,0,0]=4 5606 B14R1.825 O=C(C=Cc1cc(cc(c1)Cl)Cl)CBr 6a_100000741761_100009888967 [0,2,0,0,0,0|2,0,0]=4 5607 B14R1.825 O=C(C=Cc1cc(cc(c1)Cl)Cl)CCl 6a_100000741761_100000086384 [0,2,0,0,0,0|2,0,0]=4 5608 B14R1.825 O=C(C=Cc1cc(cc(c1)Cl)Cl)CF 1458a_100000234795_100015361967 [0,2,0,0,0,0|2,0,0]=4 5609 B14R1.825 O=C(C=Cc1cc(cc(c1)Cl)Cl)CF 6a_100000741761_100000764096 [0,2,0,0,0,0|2,0,0]=4 5610 B14R1.825 O=C(C=Cc1cc(cc(c1)Cl)F)CBr 6a_100000703917_100009888967 [0,2,0,0,0,0|2,0,0]=4 5611 B14R1.825 O=C(C=Cc1cc(cc(c1)Cl)F)CCl 6a_100000703917_100000086384 [0,2,0,0,0,0|2,0,0]=4 5612 B14R1.825 O=C(C=Cc1cc(cc(c1)Cl)F)CF 1458a_100012349021_100015361967 [0,2,0,0,0,0|2,0,0]=4 5613 B14R1.825 O=C(C=Cc1cc(cc(c1)Cl)F)CF 6a_100000703917_100000764096 [0,2,0,0,0,0|2,0,0]=4 5614 B14R1.825 O=C(C=Cc1cc(cc(c1)Cl)O)CBr 6a_100000050827_100009888967 [0,2,0,0,0,0|2,0,0]=4 5615 B14R1.825 O=C(C=Cc1cc(cc(c1)Cl)O)CCl 6a_100000050827_100000086384 [0,2,0,0,0,0|2,0,0]=4 5616 B14R1.825 O=C(C=Cc1cc(cc(c1)Cl)O)CF 6a_100000050827_100000764096 [0,2,0,0,0,0|2,0,0]=4 5617 B14R1.825 O=C(C=Cc1cc(cc(c1)F)F)CBr 6a_100000743029_100009888967 [0,2,0,0,0,0|2,0,0]=4 5618 B14R1.825 O=C(C=Cc1cc(cc(c1)F)F)CCl 6a_100000743029_100000086384 [0,2,0,0,0,0|2,0,0]=4 5619 B14R1.825 O=C(C=Cc1cc(cc(c1)F)F)CF 1458a_100015207409_100015361967 [0,2,0,0,0,0|2,0,0]=4 5620 B14R1.825 O=C(C=Cc1cc(cc(c1)F)F)CF 6a_100000743029_100000764096 [0,2,0,0,0,0|2,0,0]=4 5621 B14R1.825 O=C(C=Cc1cc(cc(c1)F)O)CBr 6a_100000703664_100009888967 [0,2,0,0,0,0|2,0,0]=4 5622 B14R1.825 O=C(C=Cc1cc(cc(c1)F)O)CCl 6a_100000703664_100000086384 [0,2,0,0,0,0|2,0,0]=4 5623 B14R1.825 O=C(C=Cc1cc(cc(c1)F)O)CF 6a_100000703664_100000764096 [0,2,0,0,0,0|2,0,0]=4 5624 B14R1.825 O=C(C=Cc1cc(cc(c1)I)Br)CBr 6a_100010185649_100009888967 [0,2,0,0,0,0|2,0,0]=4 5625 B14R1.825 O=C(C=Cc1cc(cc(c1)I)Br)CCl 6a_100010185649_100000086384 [0,2,0,0,0,0|2,0,0]=4 5626 B14R1.825 O=C(C=Cc1cc(cc(c1)I)Br)CF 6a_100010185649_100000764096 [0,2,0,0,0,0|2,0,0]=4 5627 B14R1.825 O=C(C=Cc1cc(cc(c1)I)F)CBr 6a_100010185655_100009888967 [0,2,0,0,0,0|2,0,0]=4 5628 B14R1.825 O=C(C=Cc1cc(cc(c1)I)F)CCl 6a_100010185655_100000086384 [0,2,0,0,0,0|2,0,0]=4 5629 B14R1.825 O=C(C=Cc1cc(cc(c1)I)F)CF 6a_100010185655_100000764096 [0,2,0,0,0,0|2,0,0]=4 5630 B14R1.825 O=C(C=Cc1cc(cc(c1)I)I)CBr 6a_100010185653_100009888967 [0,2,0,0,0,0|2,0,0]=4 5631 B14R1.825 O=C(C=Cc1cc(cc(c1)I)I)CCl 6a_100010185653_100000086384 [0,2,0,0,0,0|2,0,0]=4 5632 B14R1.825 O=C(C=Cc1cc(cc(c1)I)I)CF 6a_100010185653_100000764096 [0,2,0,0,0,0|2,0,0]=4 5633 B14R1.825 O=C(C=Cc1cc(cc(c1)O)O)CBr 6a_100000043415_100009888967 [0,2,0,0,0,0|2,0,0]=4 5634 B14R1.825 O=C(C=Cc1cc(cc(c1)O)O)CCl 6a_100000043415_100000086384 [0,2,0,0,0,0|2,0,0]=4 5635 B14R1.825 O=C(C=Cc1cc(cc(c1)O)O)CF 6a_100000043415_100000764096 [0,2,0,0,0,0|2,0,0]=4 5636 B14R1.5956 CC(C)C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210206 [0,2,0,0,0,0|1,0,0]=3 5637 B14R1.5956 CC(C)C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210206 [0,2,0,0,0,0|1,0,0]=3 5638 B14R1.5956 CC(C)C(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210206 [0,2,0,0,0,0|1,0,0]=3 5639 B14R1.5956 CC(C)C(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210206 [0,2,0,0,0,0|1,0,0]=3 5640 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)Br 11a_100102631434_100016258244 [0,2,0,0,0,0|1,0,0]=3 5641 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)Br 1626a_100102631434_100016258244 [0,2,0,0,0,0|1,0,0]=3 5642 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)Br 240690a_100102631434_100016258244 [0,2,0,0,0,0|1,0,0]=3 5643 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)Cl 11a_100102631434_100000184502 [0,2,0,0,0,0|1,0,0]=3 5644 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)Cl 1626a_100102631434_100000184502 [0,2,0,0,0,0|1,0,0]=3 5645 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)Cl 240690a_100102631434_100000184502 [0,2,0,0,0,0|1,0,0]=3 5646 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)F 11a_100102631434_100000718793 [0,2,0,0,0,0|1,0,0]=3 5647 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)F 1626a_100102631434_100000718793 [0,2,0,0,0,0|1,0,0]=3 5648 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)F 240690a_100102631434_100000718793 [0,2,0,0,0,0|1,0,0]=3 5649 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)I 11a_100102631434_100020647043 [0,2,0,0,0,0|1,0,0]=3 5650 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)I 1626a_100102631434_100020647043 [0,2,0,0,0,0|1,0,0]=3 5651 B14R1.5956 CN(C)C(=O)C=Cc1cccc(c1)I 240690a_100102631434_100020647043 [0,2,0,0,0,0|1,0,0]=3 5652 B14R1.5956 Cc1cccc(c1)C=CC(=O)C(C)C 1458a_100000690095_100000210206 [0,2,0,0,0,0|1,0,0]=3 5653 B14R1.5956 Cc1cccc(c1)C=CC(=O)N(C)C 11a_100102631434_100000690095 [0,2,0,0,0,0|1,0,0]=3 5654 B14R1.5956 Cc1cccc(c1)C=CC(=O)N(C)C 1626a_100102631434_100000690095 [0,2,0,0,0,0|1,0,0]=3 5655 B14R1.5956 Cc1cccc(c1)C=CC(=O)N(C)C 240690a_100102631434_100000690095 [0,2,0,0,0,0|1,0,0]=3 5656 B14R1.60 C#CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000184674 [0,2,0,0,0,0|1,0,1]=4 5657 B14R1.60 C#CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000184674 [0,2,0,0,0,0|1,0,1]=4 5658 B14R1.60 C#CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000184674 [0,2,0,0,0,0|1,0,1]=4 5659 B14R1.60 C/C(=C\c1ccccc1)/C(=O)CC#N 1458a_100016990649_100011214920 [0,2,0,0,0,0|1,0,1]=4 5660 B14R1.60 C/C(=C\c1ccccc1)/C(=O)CCF 1458a_100016990649_100011217306 [0,2,0,0,0,0|1,0,0]=3 5661 B14R1.60 C/C(=C\c1ccccc1)/C(=O)CCO 1458a_100016990649_100000211926 [0,2,0,0,0,0|1,0,0]=3 5662 B14R1.60 C/C(=C\c1ccccn1)/C(=O)CCF 1458a_100025712827_100011217306 [0,2,0,0,0,0|2,0,0]=4 5663 B14R1.60 C/C(=C\c1ccccn1)/C(=O)CCO 1458a_100025712827_100000211926 [0,2,0,0,0,0|2,0,0]=4 5664 B14R1.60 C=C(Cc1ccccc1)C(=O)NCC 11a_100015525214_100000066491 [0,2,0,0,0,0|1,0,1]=4 5665 B14R1.60 C=C(Cc1ccccc1)C(=O)NNC 22a_100016993582_100000066491 [0,2,0,0,0,0|1,0,1]=4 5666 B14R1.60 C=CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210623 [0,2,0,0,0,0|1,0,1]=4 5667 B14R1.60 C=CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210623 [0,2,0,0,0,0|1,0,1]=4 5668 B14R1.60 C=CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210623 [0,2,0,0,0,0|1,0,1]=4 5669 B14R1.60 CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210303 [0,2,0,0,0,0|1,0,0]=3 5670 B14R1.60 CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210303 [0,2,0,0,0,0|1,0,0]=3 5671 B14R1.60 CCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210303 [0,2,0,0,0,0|2,0,0]=4 5672 B14R1.60 CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210303 [0,2,0,0,0,0|1,0,0]=3 5673 B14R1.60 CCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210303 [0,2,0,0,0,0|2,0,0]=4 5674 B14R1.60 CCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210303 [0,2,0,0,0,0|2,0,0]=4 5675 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/C 11a_100015525214_100016990649 [0,2,0,0,0,0|1,0,0]=3 5676 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/C 527a_100015525214_100016990649 [0,2,0,0,0,0|1,0,0]=3 5677 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100015525214_200020598536 [0,2,0,0,0,0|1,0,0]=3 5678 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100015525214_200020598536 [0,2,0,0,0,0|1,0,0]=3 5679 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100015525214_200020598536 [0,2,0,0,0,0|1,0,0]=3 5680 B14R1.60 CCNC(=O)/C(=C/c1ccccn1)/C 11a_100015525214_100025712827 [0,2,0,0,0,0|2,0,0]=4 5681 B14R1.60 CCNC(=O)/C(=C/c1ccccn1)/C 527a_100015525214_100025712827 [0,2,0,0,0,0|2,0,0]=4 5682 B14R1.60 CCNC(=O)/C(=C\c1ccccc1)/F 11a_100015525214_100020889036 [0,2,0,0,0,0|1,0,0]=3 5683 B14R1.60 CCNC(=O)/C(=C\c1ccccc1)/F 527a_100015525214_100020889036 [0,2,0,0,0,0|1,0,0]=3 5684 B14R1.60 CCNC(=O)C(=Cc1cccnc1)F 11a_100015525214_100000731744 [0,2,0,0,0,0|2,0,0]=4 5685 B14R1.60 CCNC(=O)C(=Cc1cccnc1)F 240690a_100015525214_100000731744 [0,2,0,0,0,0|2,0,0]=4 5686 B14R1.60 CCNC(=O)C(=Cc1cccnc1)F 527a_100015525214_100000731744 [0,2,0,0,0,0|2,0,0]=4 5687 B14R1.60 CCNC(=O)C(=O)Cc1ccccc1 1458a_200011297158_100015291786 [0,2,0,0,0,0|1,0,1]=4 5688 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_200011297158 [0,2,0,0,0,0|2,0,0]=4 5689 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 22a_100000106764_200011297158 [0,2,0,0,0,0|2,0,0]=4 5690 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 240690a_100015525214_100000738435 [0,2,0,0,0,0|2,0,0]=4 5691 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 527a_100000106764_200011297158 [0,2,0,0,0,0|2,0,0]=4 5692 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 11a_100000106764_100014798877 [0,2,0,0,0,0|1,0,0]=3 5693 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100014798877 [0,2,0,0,0,0|1,0,0]=3 5694 B14R1.60 CCOC(=O)C(C)Nc1ccccc1 34a_100000106764_100011216346 [0,2,0,0,0,0|1,0,1]=4 5695 B14R1.60 CCOC(=O)C(C)Oc1ccccc1 34a_100000210340_100011216346 [0,2,0,0,0,0|1,0,1]=4 5696 B14R1.60 CCOC(=O)C(C)Oc1ccccc1 7a_100000210340_100011216346 [0,2,0,0,0,0|1,0,1]=4 5697 B14R1.60 CCOC(=O)C(C)Sc1ccccc1 62a_100000719477_100011216346 [0,2,0,0,0,0|1,0,1]=4 5698 B14R1.60 CCOC(=O)C(C)Sc1ccccc1 62a_100011216346_100000041952 [0,2,0,0,0,0|1,0,1]=4 5699 B14R1.60 CCOC(=O)C(F)Nc1ccccc1 34a_100000106764_100000760018 [0,2,0,0,0,0|1,0,1]=4 5700 B14R1.60 CCOC(=O)C(F)Oc1ccccc1 34a_100000210340_100000760018 [0,2,0,0,0,0|1,0,1]=4 5701 B14R1.60 CCOC(=O)C(F)Oc1ccccc1 7a_100000210340_100000040065 [0,2,0,0,0,0|1,0,1]=4 5702 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 62a_100000719477_100000760018 [0,2,0,0,0,0|1,0,1]=4 5703 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 62a_100000760018_100000041952 [0,2,0,0,0,0|1,0,1]=4 5704 B14R1.60 CNNC(=O)/C(=C/c1ccccc1)/C 22a_100016993582_100016990649 [0,2,0,0,0,0|1,0,0]=3 5705 B14R1.60 CNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100016993582_200020598536 [0,2,0,0,0,0|1,0,0]=3 5706 B14R1.60 CNNC(=O)/C(=C/c1ccccn1)/C 22a_100016993582_100025712827 [0,2,0,0,0,0|2,0,0]=4 5707 B14R1.60 CNNC(=O)/C(=C\c1ccccc1)/F 22a_100016993582_100020889036 [0,2,0,0,0,0|1,0,0]=3 5708 B14R1.60 CNNC(=O)C(=Cc1cccnc1)F 22a_100016993582_100000731744 [0,2,0,0,0,0|2,0,0]=4 5709 B14R1.60 CNNC(=O)C(=O)Nc1ccccc1 22a_100016993582_100000738435 [0,2,0,0,0,0|2,0,0]=4 5710 B14R1.60 CO/N=C(\C)/C(=O)Cc1ccccc1 1458a_100160996864_100015291786 [0,2,0,0,0,0|1,0,1]=4 5711 B14R1.60 CO/N=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100160996864 [0,2,0,0,0,0|2,0,0]=4 5712 B14R1.60 CO/N=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100160996864 [0,2,0,0,0,0|2,0,0]=4 5713 B14R1.60 COCC(=O)C(C)Cc1ccccc1 1458a_100000210968_200011218536 [0,2,0,0,0,0|0,0,2]=4 5714 B14R1.60 COCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000210968 [0,2,0,0,0,0|1,0,1]=4 5715 B14R1.60 COCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000210968 [0,2,0,0,0,0|1,0,1]=4 5716 B14R1.60 COCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000210968 [0,2,0,0,0,0|1,0,1]=4 5717 B14R1.60 COCC(=O)N(C)Cc1ccccc1 34a_100138415774_100000182870 [0,2,0,0,0,0|1,0,1]=4 5718 B14R1.60 COCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000210968 [0,2,0,0,0,0|1,0,1]=4 5719 B14R1.60 N#CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011214920 [0,2,0,0,0,0|1,0,1]=4 5720 B14R1.60 N#CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011214920 [0,2,0,0,0,0|1,0,1]=4 5721 B14R1.60 O=C(CCF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011217306 [0,2,0,0,0,0|1,0,0]=3 5722 B14R1.60 O=C(CCF)/C(=C\c1ccccc1)/F 1458a_100020889036_100011217306 [0,2,0,0,0,0|1,0,0]=3 5723 B14R1.60 O=C(CCF)C(=Cc1cccnc1)F 1458a_100000731744_100011217306 [0,2,0,0,0,0|2,0,0]=4 5724 B14R1.60 O=C(CCF)C(=O)Nc1ccccc1 1458a_100000738435_100011217306 [0,2,0,0,0,0|2,0,0]=4 5725 B14R1.60 O=C(CCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000211926 [0,2,0,0,0,0|1,0,0]=3 5726 B14R1.60 O=C(CCO)/C(=C\c1ccccc1)/F 1458a_100020889036_100000211926 [0,2,0,0,0,0|1,0,0]=3 5727 B14R1.60 O=C(CCO)C(=Cc1cccnc1)F 1458a_100000731744_100000211926 [0,2,0,0,0,0|2,0,0]=4 5728 B14R1.60 O=C(CCO)C(=O)Nc1ccccc1 1458a_100000738435_100000211926 [0,2,0,0,0,0|2,0,0]=4 5729 B14R1.156 C#CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000753159 [0,2,0,0,0,0|1,0,0]=3 5730 B14R1.156 C#CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000753159 [0,2,0,0,0,0|2,0,0]=4 5731 B14R1.156 C#CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000753159 [0,2,0,0,0,0|2,0,0]=4 5732 B14R1.156 C#CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000753159 [0,2,0,0,0,0|2,0,0]=4 5733 B14R1.156 C#CCNC(=O)C=Cc1ccccc1 11a_100000212058_100000210462 [0,2,0,0,0,0|1,0,0]=3 5734 B14R1.156 C#CCNC(=O)C=Cc1ccccc1 1626a_100000212058_100000210462 [0,2,0,0,0,0|1,0,0]=3 5735 B14R1.156 C#CCNC(=O)C=Cc1ccccn1 11a_100000212058_100000740811 [0,2,0,0,0,0|2,0,0]=4 5736 B14R1.156 C#CCNC(=O)C=Cc1ccccn1 240690a_100000212058_100000740811 [0,2,0,0,0,0|2,0,0]=4 5737 B14R1.156 C#CCNC(=O)C=Cc1cccnc1 11a_100000212058_100000735890 [0,2,0,0,0,0|2,0,0]=4 5738 B14R1.156 C#CCNC(=O)C=Cc1cccnc1 240690a_100000212058_100000735890 [0,2,0,0,0,0|2,0,0]=4 5739 B14R1.156 C#CCNC(=O)C=Cc1ccncc1 240690a_100000212058_100000682801 [0,2,0,0,0,0|2,0,0]=4 5740 B14R1.156 C/C=C/CC(=O)C=Cc1ccccc1 1458a_100000210462_100102629194 [0,2,0,0,0,0|1,0,0]=3 5741 B14R1.156 C/C=C/CC(=O)C=Cc1ccccn1 1458a_100000740811_100102629194 [0,2,0,0,0,0|2,0,0]=4 5742 B14R1.156 C/C=C/CC(=O)C=Cc1cccnc1 1458a_100000735890_100102629194 [0,2,0,0,0,0|2,0,0]=4 5743 B14R1.156 C/C=C/CC(=O)C=Cc1ccncc1 1458a_100000682801_100102629194 [0,2,0,0,0,0|2,0,0]=4 5744 B14R1.156 C=CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000754431 [0,2,0,0,0,0|1,0,0]=3 5745 B14R1.156 C=CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000754431 [0,2,0,0,0,0|2,0,0]=4 5746 B14R1.156 C=CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000754431 [0,2,0,0,0,0|2,0,0]=4 5747 B14R1.156 C=CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000754431 [0,2,0,0,0,0|2,0,0]=4 5748 B14R1.156 C=CCNC(=O)C=Cc1ccccc1 1626a_100020586998_100000210462 [0,2,0,0,0,0|1,0,0]=3 5749 B14R1.156 C=CCNC(=O)C=Cc1ccccn1 240690a_100020586998_100000740811 [0,2,0,0,0,0|2,0,0]=4 5750 B14R1.156 C=CCNC(=O)C=Cc1cccnc1 240690a_100020586998_100000735890 [0,2,0,0,0,0|2,0,0]=4 5751 B14R1.156 C=CCNC(=O)C=Cc1ccncc1 240690a_100020586998_100000682801 [0,2,0,0,0,0|2,0,0]=4 5752 B14R1.156 C=CCOC(=O)CNc1ccccc1 34a_100000106764_100000033060 [0,2,0,0,0,0|1,0,1]=4 5753 B14R1.156 C=CCOC(=O)COc1ccccc1 34a_100000210340_100000033060 [0,2,0,0,0,0|1,0,1]=4 5754 B14R1.156 C=CCOC(=O)COc1ccccc1 7a_100000210340_100000033060 [0,2,0,0,0,0|1,0,1]=4 5755 B14R1.156 C=CCOC(=O)CSc1ccccc1 62a_100000033060_100000041952 [0,2,0,0,0,0|1,0,1]=4 5756 B14R1.156 C=CCOC(=O)CSc1ccccc1 62a_100000719477_100000033060 [0,2,0,0,0,0|1,0,1]=4 5757 B14R1.156 CC#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000748600 [0,2,0,0,0,0|1,0,0]=3 5758 B14R1.156 CC#CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000748600 [0,2,0,0,0,0|2,0,0]=4 5759 B14R1.156 CC#CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000748600 [0,2,0,0,0,0|2,0,0]=4 5760 B14R1.156 CC#CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000748600 [0,2,0,0,0,0|2,0,0]=4 5761 B14R1.156 CC=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000070051 [0,2,0,0,0,0|1,0,0]=3 5762 B14R1.156 CC=CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000070051 [0,2,0,0,0,0|2,0,0]=4 5763 B14R1.156 CC=CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000070051 [0,2,0,0,0,0|2,0,0]=4 5764 B14R1.156 CC=CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000070051 [0,2,0,0,0,0|2,0,0]=4 5765 B14R1.156 CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210211 [0,2,0,0,0,0|1,0,0]=3 5766 B14R1.156 CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210211 [0,2,0,0,0,0|2,0,0]=4 5767 B14R1.156 CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210211 [0,2,0,0,0,0|2,0,0]=4 5768 B14R1.156 CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210211 [0,2,0,0,0,0|2,0,0]=4 5769 B14R1.156 CCCNC(=O)C=Cc1ccccc1 11a_100020643023_100000210462 [0,2,0,0,0,0|1,0,0]=3 5770 B14R1.156 CCCNC(=O)C=Cc1ccccc1 1626a_100020643023_100000210462 [0,2,0,0,0,0|1,0,0]=3 5771 B14R1.156 CCCNC(=O)C=Cc1ccccn1 11a_100020643023_100000740811 [0,2,0,0,0,0|2,0,0]=4 5772 B14R1.156 CCCNC(=O)C=Cc1ccccn1 240690a_100020643023_100000740811 [0,2,0,0,0,0|2,0,0]=4 5773 B14R1.156 CCCNC(=O)C=Cc1cccnc1 11a_100020643023_100000735890 [0,2,0,0,0,0|2,0,0]=4 5774 B14R1.156 CCCNC(=O)C=Cc1cccnc1 240690a_100020643023_100000735890 [0,2,0,0,0,0|2,0,0]=4 5775 B14R1.156 CCCNC(=O)C=Cc1ccncc1 240690a_100020643023_100000682801 [0,2,0,0,0,0|2,0,0]=4 5776 B14R1.156 CCCOC(=O)CNc1ccccc1 34a_100000106764_200011215008 [0,2,0,0,0,0|1,0,1]=4 5777 B14R1.156 CCCOC(=O)COc1ccccc1 34a_100000210340_200011215008 [0,2,0,0,0,0|1,0,1]=4 5778 B14R1.156 CCCOC(=O)COc1ccccc1 7a_100000210340_200011215008 [0,2,0,0,0,0|1,0,1]=4 5779 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_100000719477_200011215008 [0,2,0,0,0,0|1,0,1]=4 5780 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_200011215008_100000041952 [0,2,0,0,0,0|1,0,1]=4 5781 B14R1.156 CCNN=C(C)C=Cc1ccccc1 4a_100000756455_100000204604 [0,2,0,0,0,0|2,0,0]=4 5782 B14R1.156 CCNNC(=O)C=Cc1ccccc1 22a_100000756455_100000210462 [0,2,0,0,0,0|1,0,0]=3 5783 B14R1.156 CCNNC(=O)C=Cc1ccccn1 22a_100000756455_100000740811 [0,2,0,0,0,0|2,0,0]=4 5784 B14R1.156 CCNNC(=O)C=Cc1cccnc1 22a_100000756455_100000735890 [0,2,0,0,0,0|2,0,0]=4 5785 B14R1.156 CCNNC(=O)C=Cc1ccncc1 22a_100000756455_100000682801 [0,2,0,0,0,0|2,0,0]=4 5786 B14R1.156 CCOCC(=O)C=Cc1cncnc1 6a_100000749868_100000209952 [0,2,0,0,0,0|2,0,0]=4 5787 B14R1.156 CCOCC(=O)CCc1ccccc1 1458a_100000211967_100000765856 [0,2,0,0,0,0|0,0,2]=4 5788 B14R1.156 CCOCC(=O)CCc1ccccc1 34a_100121572206_100012361361 [0,2,0,0,0,0|0,0,2]=4 5789 B14R1.156 CCOCC(=O)NCc1ccccc1 11a_100015324214_100000211967 [0,2,0,0,0,0|1,0,1]=4 5790 B14R1.156 CCOCC(=O)NCc1ccccc1 1626a_100015324214_100000211967 [0,2,0,0,0,0|1,0,1]=4 5791 B14R1.156 CCOCC(=O)NCc1ccccc1 240690a_100015324214_100000211967 [0,2,0,0,0,0|1,0,1]=4 5792 B14R1.156 CCOCC(=O)NCc1ccccc1 34a_100121572206_100000183539 [0,2,0,0,0,0|1,0,1]=4 5793 B14R1.156 CCOCC(=O)NCc1ccccc1 527a_100015324214_100000211967 [0,2,0,0,0,0|1,0,1]=4 5794 B14R1.156 CCOCC(=O)NNc1ccccc1 22a_100015195140_100000211967 [0,2,0,0,0,0|2,0,0]=4 5795 B14R1.156 CCOCC(=O)OCc1ccccc1 34a_100121572206_100000753625 [0,2,0,0,0,0|1,0,1]=4 5796 B14R1.156 COC=CC(=O)CCc1ccccc1 1458a_100016268678_100000765856 [0,2,0,0,0,0|0,0,2]=4 5797 B14R1.156 COC=CC(=O)NCc1ccccc1 1626a_100015324214_100016268678 [0,2,0,0,0,0|1,0,1]=4 5798 B14R1.156 COC=CC(=O)NCc1ccccc1 240690a_100015324214_100016268678 [0,2,0,0,0,0|1,0,1]=4 5799 B14R1.156 COC=CC(=O)NNc1ccccc1 22a_100015195140_100016268678 [0,2,0,0,0,0|2,0,0]=4 5800 B14R1.156 COCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000233755 [0,2,0,0,0,0|0,0,2]=4 5801 B14R1.156 COCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000233755 [0,2,0,0,0,0|0,0,0]=2 5802 B14R1.156 COCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000233755 [0,2,0,0,0,0|1,0,0]=3 5803 B14R1.156 COCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000233755 [0,2,0,0,0,0|1,0,0]=3 5804 B14R1.156 COCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000233755 [0,2,0,0,0,0|1,0,0]=3 5805 B14R1.156 COCCC(=O)C=Cc1cncnc1 6a_100000749868_100000742357 [0,2,0,0,0,0|2,0,0]=4 5806 B14R1.156 COCCC(=O)CCc1ccccc1 1458a_100000185753_100000233755 [0,2,0,0,0,0|0,0,2]=4 5807 B14R1.156 COCCC(=O)CCc1ccccc1 1458a_100000749529_100000765856 [0,2,0,0,0,0|0,0,2]=4 5808 B14R1.156 COCCC(=O)COc1ccccc1 1458a_100000186222_100000233755 [0,2,0,0,0,0|1,0,1]=4 5809 B14R1.156 COCCC(=O)CSc1ccccc1 1458a_100000211596_100000233755 [0,2,0,0,0,0|1,0,1]=4 5810 B14R1.156 COCCC(=O)NCc1ccccc1 11a_100015324214_100000749529 [0,2,0,0,0,0|1,0,1]=4 5811 B14R1.156 COCCC(=O)NCc1ccccc1 1626a_100015324214_100000749529 [0,2,0,0,0,0|1,0,1]=4 5812 B14R1.156 COCCC(=O)NCc1ccccc1 240690a_100015324214_100000749529 [0,2,0,0,0,0|1,0,1]=4 5813 B14R1.156 COCCC(=O)NCc1ccccc1 527a_100015324214_100000749529 [0,2,0,0,0,0|1,0,1]=4 5814 B14R1.156 COCCC(=O)NNc1ccccc1 22a_100015195140_100000749529 [0,2,0,0,0,0|2,0,0]=4 5815 B14R1.156 COCCC(=O)OCc1ccccc1 7a_100009831632_200000210301 [0,2,0,0,0,0|1,0,1]=4 5816 B14R1.156 CSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000751147 [0,2,0,0,0,0|0,1,0]=3 5817 B14R1.156 CSCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000751147 [0,2,0,0,0,0|1,1,0]=4 5818 B14R1.156 CSCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000751147 [0,2,0,0,0,0|1,1,0]=4 5819 B14R1.156 CSCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000751147 [0,2,0,0,0,0|1,1,0]=4 5820 B14R1.156 N#CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215226 [0,2,0,0,0,0|1,0,0]=3 5821 B14R1.156 N#CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215226 [0,2,0,0,0,0|2,0,0]=4 5822 B14R1.156 N#CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215226 [0,2,0,0,0,0|2,0,0]=4 5823 B14R1.156 N#CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215226 [0,2,0,0,0,0|2,0,0]=4 5824 B14R1.156 N#CCNC(=O)C=Cc1ccccc1 1626a_100000734998_100000210462 [0,2,0,0,0,0|1,0,0]=3 5825 B14R1.156 O=C(C=Cc1ccccc1)CCCF 1458a_100000210462_100011934791 [0,2,0,0,0,0|1,0,0]=3 5826 B14R1.156 O=C(C=Cc1ccccc1)CCCO 1458a_100000210462_100011215043 [0,2,0,0,0,0|1,0,0]=3 5827 B14R1.156 O=C(C=Cc1ccccc1)NCCF 11a_100000724931_100000210462 [0,2,0,0,0,0|1,0,0]=3 5828 B14R1.156 O=C(C=Cc1ccccc1)NCCF 1626a_100000724931_100000210462 [0,2,0,0,0,0|1,0,0]=3 5829 B14R1.156 O=C(C=Cc1ccccn1)CCCF 1458a_100000740811_100011934791 [0,2,0,0,0,0|2,0,0]=4 5830 B14R1.156 O=C(C=Cc1ccccn1)CCCO 1458a_100000740811_100011215043 [0,2,0,0,0,0|2,0,0]=4 5831 B14R1.156 O=C(C=Cc1ccccn1)NCCF 11a_100000724931_100000740811 [0,2,0,0,0,0|2,0,0]=4 5832 B14R1.156 O=C(C=Cc1ccccn1)NCCF 240690a_100000724931_100000740811 [0,2,0,0,0,0|2,0,0]=4 5833 B14R1.156 O=C(C=Cc1ccccn1)NCCO 240690a_100000210304_100000740811 [0,2,0,0,0,0|2,0,0]=4 5834 B14R1.156 O=C(C=Cc1cccnc1)CCCF 1458a_100000735890_100011934791 [0,2,0,0,0,0|2,0,0]=4 5835 B14R1.156 O=C(C=Cc1cccnc1)CCCO 1458a_100000735890_100011215043 [0,2,0,0,0,0|2,0,0]=4 5836 B14R1.156 O=C(C=Cc1cccnc1)NCCF 11a_100000724931_100000735890 [0,2,0,0,0,0|2,0,0]=4 5837 B14R1.156 O=C(C=Cc1cccnc1)NCCF 240690a_100000724931_100000735890 [0,2,0,0,0,0|2,0,0]=4 5838 B14R1.156 O=C(C=Cc1cccnc1)NCCO 240690a_100000210304_100000735890 [0,2,0,0,0,0|2,0,0]=4 5839 B14R1.156 O=C(C=Cc1ccncc1)CCCF 1458a_100000682801_100011934791 [0,2,0,0,0,0|2,0,0]=4 5840 B14R1.156 O=C(C=Cc1ccncc1)CCCO 1458a_100000682801_100011215043 [0,2,0,0,0,0|2,0,0]=4 5841 B14R1.156 O=C(C=Cc1ccncc1)NCCF 240690a_100000724931_100000682801 [0,2,0,0,0,0|2,0,0]=4 5842 B14R1.156 O=C(C=Cc1ccncc1)NCCO 240690a_100000210304_100000682801 [0,2,0,0,0,0|2,0,0]=4 5843 B14R1.156 [13CH3]OCCC(=O)OCc1ccccc1 7a_100009831632_200025704644 [0,2,0,0,0,0|1,0,1]=4 5844 B14R1.598 C#CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000184674 [0,2,0,0,0,0|1,0,1]=4 5845 B14R1.598 C#CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000184674 [0,2,0,0,0,0|1,0,1]=4 5846 B14R1.598 C#CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000184674 [0,2,0,0,0,0|1,0,1]=4 5847 B14R1.598 C#CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000184674 [0,2,0,0,0,0|1,0,1]=4 5848 B14R1.598 C=CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210623 [0,2,0,0,0,0|1,0,1]=4 5849 B14R1.598 C=CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210623 [0,2,0,0,0,0|1,0,1]=4 5850 B14R1.598 C=CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210623 [0,2,0,0,0,0|1,0,1]=4 5851 B14R1.598 C=CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210623 [0,2,0,0,0,0|1,0,1]=4 5852 B14R1.598 CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210303 [0,2,0,0,0,0|1,0,0]=3 5853 B14R1.598 CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210303 [0,2,0,0,0,0|1,0,0]=3 5854 B14R1.598 CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210303 [0,2,0,0,0,0|1,0,0]=3 5855 B14R1.598 CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210303 [0,2,0,0,0,0|1,0,0]=3 5856 B14R1.598 CCNC(=O)C=Cc1ccccc1Br 11a_100015525214_100000719032 [0,2,0,0,0,0|1,0,0]=3 5857 B14R1.598 CCNC(=O)C=Cc1ccccc1Br 240690a_100015525214_100000719032 [0,2,0,0,0,0|1,0,0]=3 5858 B14R1.598 CCNC(=O)C=Cc1ccccc1Cl 11a_100015525214_100000720304 [0,2,0,0,0,0|1,0,0]=3 5859 B14R1.598 CCNC(=O)C=Cc1ccccc1Cl 240690a_100015525214_100000720304 [0,2,0,0,0,0|1,0,0]=3 5860 B14R1.598 CCNC(=O)C=Cc1ccccc1F 11a_100015525214_100016256065 [0,2,0,0,0,0|1,0,0]=3 5861 B14R1.598 CCNC(=O)C=Cc1ccccc1F 240690a_100015525214_100016256065 [0,2,0,0,0,0|1,0,0]=3 5862 B14R1.598 CCOC(=O)/C=C/c1ccccc1O 271570a_203496583355_100016317929 [0,2,0,0,0,0|0,0,0]=2 5863 B14R1.598 CCOC(=O)/C=C/c1cccnc1O 271570a_203496583355_200020681690 [0,2,0,0,0,0|1,0,0]=3 5864 B14R1.598 CCOC(=O)C=Cc1c[nH]ccc1=O 271570a_100010199719_100009998708 [0,2,0,0,0,0|1,0,0]=3 5865 B14R1.598 CCOC(=O)C=Cc1c[nH]ccc1=S 271570a_100010199719_200012280681 [0,2,0,0,0,0|1,0,0]=3 5866 B14R1.598 CCOC(=O)C=Cc1ccc[nH]c1=O 271570a_100010199719_100000050042 [0,2,0,0,0,0|1,0,0]=3 5867 B14R1.598 CCOC(=O)C=Cc1cccc[n+]1C 271570a_100010199719_100000212160 [0,2,0,0,0,0|1,0,0]=3 5868 B14R1.598 CCOC(=O)C=Cc1cccc[n+]1[O-] 271570a_100010199719_200000042595 [0,2,0,0,0,0|1,0,0]=3 5869 B14R1.598 CCOC(=O)C=Cc1ccccc1Br 271570a_100010199719_100000695589 [0,2,0,0,0,0|0,0,0]=2 5870 B14R1.598 CCOC(=O)C=Cc1ccccc1C 271570a_100010199719_100000210755 [0,2,0,0,0,0|0,0,0]=2 5871 B14R1.598 CCOC(=O)C=Cc1ccccc1Cl 271570a_100010199719_100000764095 [0,2,0,0,0,0|0,0,0]=2 5872 B14R1.598 CCOC(=O)C=Cc1ccccc1F 271570a_100010199719_100011215700 [0,2,0,0,0,0|0,0,0]=2 5873 B14R1.598 CCOC(=O)C=Cc1ccccc1N 271570a_100010199719_100000210017 [0,2,0,0,0,0|0,0,0]=2 5874 B14R1.598 CCOC(=O)C=Cc1ccccc1O 271570a_100010199719_100000739446 [0,2,0,0,0,0|0,0,0]=2 5875 B14R1.598 CCOC(=O)C=Cc1cccnc1Br 271570a_100010199719_100010202626 [0,2,0,0,0,0|1,0,0]=3 5876 B14R1.598 CCOC(=O)C=Cc1cccnc1C 271570a_100010199719_100000751574 [0,2,0,0,0,0|1,0,0]=3 5877 B14R1.598 CCOC(=O)C=Cc1cccnc1Cl 271570a_100010199719_100000036424 [0,2,0,0,0,0|1,0,0]=3 5878 B14R1.598 CCOC(=O)C=Cc1cccnc1F 271570a_100010199719_100009816115 [0,2,0,0,0,0|1,0,0]=3 5879 B14R1.598 CCOC(=O)C=Cc1cccnc1N 271570a_100010199719_100000045569 [0,2,0,0,0,0|1,0,0]=3 5880 B14R1.598 CCOC(=O)C=Cc1ccn[nH]c1=O 271570a_100010199719_100000087129 [0,2,0,0,0,0|2,0,0]=4 5881 B14R1.598 CCOC(=O)C=Cc1ccncc1Br 271570a_100010199719_100000726257 [0,2,0,0,0,0|1,0,0]=3 5882 B14R1.598 CCOC(=O)C=Cc1ccncc1C 271570a_100010199719_100015191297 [0,2,0,0,0,0|1,0,0]=3 5883 B14R1.598 CCOC(=O)C=Cc1ccncc1Cl 271570a_100010199719_100000708259 [0,2,0,0,0,0|1,0,0]=3 5884 B14R1.598 CCOC(=O)C=Cc1ccncc1F 271570a_100010199719_100000047030 [0,2,0,0,0,0|1,0,0]=3 5885 B14R1.598 CCOC(=O)C=Cc1ccncc1N 271570a_100010199719_100009815883 [0,2,0,0,0,0|1,0,0]=3 5886 B14R1.598 CCOC(=O)C=Cc1ccncc1O 271570a_100010199719_100009817591 [0,2,0,0,0,0|1,0,0]=3 5887 B14R1.598 CCOC(=O)C=Cc1cnccc1Br 271570a_100010199719_100010138639 [0,2,0,0,0,0|1,0,0]=3 5888 B14R1.598 CCOC(=O)C=Cc1cnccc1C 271570a_100010199719_100000761580 [0,2,0,0,0,0|1,0,0]=3 5889 B14R1.598 CCOC(=O)C=Cc1cnccc1Cl 271570a_100010199719_100009995489 [0,2,0,0,0,0|1,0,0]=3 5890 B14R1.598 CCOC(=O)C=Cc1cnccc1F 271570a_100010199719_100009820683 [0,2,0,0,0,0|1,0,0]=3 5891 B14R1.598 CCOC(=O)C=Cc1cnccc1N 271570a_100010199719_100000047001 [0,2,0,0,0,0|1,0,0]=3 5892 B14R1.598 CCOC(=O)C=Cc1cncnc1Br 271570a_100010199719_200012461658 [0,2,0,0,0,0|2,0,0]=4 5893 B14R1.598 CCOC(=O)C=Cc1cncnc1C 271570a_100010199719_100009819671 [0,2,0,0,0,0|2,0,0]=4 5894 B14R1.598 CCOC(=O)C=Cc1cncnc1Cl 271570a_100010199719_100000758962 [0,2,0,0,0,0|2,0,0]=4 5895 B14R1.598 CCOC(=O)C=Cc1cncnc1N 271570a_100010199719_100011996079 [0,2,0,0,0,0|2,0,0]=4 5896 B14R1.598 CCOC(=O)C=Cc1cncnc1O 271570a_100010199719_100000751107 [0,2,0,0,0,0|2,0,0]=4 5897 B14R1.598 CCOC(=O)C=Cc1cnncc1N 271570a_100010199719_100009829405 [0,2,0,0,0,0|2,0,0]=4 5898 B14R1.598 CCOC(=O)C=Cc1ncc[nH]c1=O 271570a_100010199719_100000763361 [0,2,0,0,0,0|2,0,0]=4 5899 B14R1.598 CCOC(=O)C=Cc1ncccc1Br 271570a_100010199719_100000696092 [0,2,0,0,0,0|1,0,0]=3 5900 B14R1.598 CCOC(=O)C=Cc1ncccc1C 271570a_100010199719_100000751373 [0,2,0,0,0,0|1,0,0]=3 5901 B14R1.598 CCOC(=O)C=Cc1ncccc1Cl 271570a_100010199719_100011356963 [0,2,0,0,0,0|1,0,0]=3 5902 B14R1.598 CCOC(=O)C=Cc1ncccc1F 271570a_100010199719_100000685392 [0,2,0,0,0,0|1,0,0]=3 5903 B14R1.598 CCOC(=O)C=Cc1ncccc1N 271570a_100010199719_100000688686 [0,2,0,0,0,0|1,0,0]=3 5904 B14R1.598 CCOC(=O)C=Cc1ncccc1O 271570a_100010199719_100000034122 [0,2,0,0,0,0|1,0,0]=3 5905 B14R1.598 CCOC(=O)C=Cc1nccnc1C 271570a_100010199719_100011999405 [0,2,0,0,0,0|2,0,0]=4 5906 B14R1.598 CCOC(=O)C=Cc1nccnc1F 271570a_100010199719_200010125657 [0,2,0,0,0,0|2,0,0]=4 5907 B14R1.598 CCOC(=O)C=Cc1nccnc1N 271570a_100010199719_100000747729 [0,2,0,0,0,0|2,0,0]=4 5908 B14R1.598 CCOC(=O)C=Cc1ncncc1C 271570a_100010199719_100011998708 [0,2,0,0,0,0|2,0,0]=4 5909 B14R1.598 CCOC(=O)C=Cc1ncncc1F 271570a_100010199719_100000069762 [0,2,0,0,0,0|2,0,0]=4 5910 B14R1.598 CCOC(=O)C=Cc1ncncc1N 271570a_100010199719_100000709731 [0,2,0,0,0,0|2,0,0]=4 5911 B14R1.598 CCOC(=O)C=Cc1nnccc1C 271570a_100010199719_100000089043 [0,2,0,0,0,0|2,0,0]=4 5912 B14R1.598 CCOC(=O)CCc1ccccc1O 271570a_203496583355_100009815309 [0,2,0,0,0,0|0,0,2]=4 5913 B14R1.598 CCOC(=O)CNc1ccccc1Br 34a_100000210017_100000188475 [0,2,0,0,0,0|1,0,1]=4 5914 B14R1.598 CCOC(=O)CNc1ccccc1C 34a_100015192222_100000188475 [0,2,0,0,0,0|1,0,1]=4 5915 B14R1.598 CCOC(=O)CNc1ccccc1Cl 34a_100000185783_100000188475 [0,2,0,0,0,0|1,0,1]=4 5916 B14R1.598 CCOC(=O)CNc1ccccc1F 34a_100000210422_100000188475 [0,2,0,0,0,0|1,0,1]=4 5917 B14R1.598 CCOC(=O)CNc1ccccc1I 34a_100000210053_100000188475 [0,2,0,0,0,0|1,0,1]=4 5918 B14R1.598 CCOC(=O)CNc1ccccc1O 34a_100000185747_100000188475 [0,2,0,0,0,0|1,0,1]=4 5919 B14R1.598 CCOC(=O)COc1ccccc1Br 34a_100000181306_100000188475 [0,2,0,0,0,0|1,0,1]=4 5920 B14R1.598 CCOC(=O)COc1ccccc1Br 7a_100000181306_100000188475 [0,2,0,0,0,0|1,0,1]=4 5921 B14R1.598 CCOC(=O)COc1ccccc1C 34a_100000210338_100000188475 [0,2,0,0,0,0|1,0,1]=4 5922 B14R1.598 CCOC(=O)COc1ccccc1C 7a_100000210338_100000188475 [0,2,0,0,0,0|1,0,1]=4 5923 B14R1.598 CCOC(=O)COc1ccccc1Cl 34a_100000210172_100000188475 [0,2,0,0,0,0|1,0,1]=4 5924 B14R1.598 CCOC(=O)COc1ccccc1Cl 7a_100000210172_100000188475 [0,2,0,0,0,0|1,0,1]=4 5925 B14R1.598 CCOC(=O)COc1ccccc1F 34a_100000210171_100000188475 [0,2,0,0,0,0|1,0,1]=4 5926 B14R1.598 CCOC(=O)COc1ccccc1F 7a_100000210171_100000188475 [0,2,0,0,0,0|1,0,1]=4 5927 B14R1.598 CCOC(=O)COc1ccccc1I 34a_100000739446_100000188475 [0,2,0,0,0,0|1,0,1]=4 5928 B14R1.598 CCOC(=O)COc1ccccc1I 7a_100000739446_100000188475 [0,2,0,0,0,0|1,0,1]=4 5929 B14R1.598 CCOC(=O)COc1ccccc1N 34a_100000185747_100000188475 [0,2,0,0,0,0|1,0,1]=4 5930 B14R1.598 CCOC(=O)COc1ccccc1N 7a_100000185747_100000188475 [0,2,0,0,0,0|1,0,1]=4 5931 B14R1.598 CCOC(=O)COc1ccccc1O 271570a_203496583355_100000174061 [0,2,0,0,0,0|1,0,1]=4 5932 B14R1.598 CCOC(=O)CSc1ccccc1Br 62a_100000188475_100000695589 [0,2,0,0,0,0|1,0,1]=4 5933 B14R1.598 CCOC(=O)CSc1ccccc1Br 62a_100000695589_100000188475 [0,2,0,0,0,0|1,0,1]=4 5934 B14R1.598 CCOC(=O)CSc1ccccc1C 62a_100000188475_100000210755 [0,2,0,0,0,0|1,0,1]=4 5935 B14R1.598 CCOC(=O)CSc1ccccc1C 62a_100000210755_100000188475 [0,2,0,0,0,0|1,0,1]=4 5936 B14R1.598 CCOC(=O)CSc1ccccc1Cl 62a_100000188475_100000764095 [0,2,0,0,0,0|1,0,1]=4 5937 B14R1.598 CCOC(=O)CSc1ccccc1Cl 62a_100000764095_100000188475 [0,2,0,0,0,0|1,0,1]=4 5938 B14R1.598 CCOC(=O)CSc1ccccc1F 62a_100000188475_100011215700 [0,2,0,0,0,0|1,0,1]=4 5939 B14R1.598 CCOC(=O)CSc1ccccc1F 62a_100011215700_100000188475 [0,2,0,0,0,0|1,0,1]=4 5940 B14R1.598 CCOC(=O)CSc1ccccc1N 62a_100000188475_100000210017 [0,2,0,0,0,0|1,0,1]=4 5941 B14R1.598 CCOC(=O)CSc1ccccc1N 62a_100000210017_100000188475 [0,2,0,0,0,0|1,0,1]=4 5942 B14R1.598 CCOC(=O)CSc1ccccc1O 62a_100000188475_100000739446 [0,2,0,0,0,0|1,0,1]=4 5943 B14R1.598 CCOC(=O)CSc1ccccc1O 62a_100000739446_100000188475 [0,2,0,0,0,0|1,0,1]=4 5944 B14R1.598 CNNC(=O)C=Cc1ccccc1Br 22a_100016993582_100000719032 [0,2,0,0,0,0|1,0,0]=3 5945 B14R1.598 CNNC(=O)C=Cc1ccccc1C 22a_100016993582_100016266485 [0,2,0,0,0,0|1,0,0]=3 5946 B14R1.598 CNNC(=O)C=Cc1ccccc1Cl 22a_100016993582_100000720304 [0,2,0,0,0,0|1,0,0]=3 5947 B14R1.598 CNNC(=O)C=Cc1ccccc1F 22a_100016993582_100016256065 [0,2,0,0,0,0|1,0,0]=3 5948 B14R1.598 CNNC(=O)C=Cc1ccccc1O 22a_100016993582_100016263591 [0,2,0,0,0,0|1,0,0]=3 5949 B14R1.598 COCC(=O)CCc1ccccc1Br 1458a_100000210968_100012161201 [0,2,0,0,0,0|0,0,2]=4 5950 B14R1.598 COCC(=O)CCc1ccccc1C 1458a_100000210968_100011713688 [0,2,0,0,0,0|0,0,2]=4 5951 B14R1.598 COCC(=O)CCc1ccccc1Cl 1458a_100000210968_100011713703 [0,2,0,0,0,0|0,0,2]=4 5952 B14R1.598 COCC(=O)CCc1ccccc1F 1458a_100000210968_100000720011 [0,2,0,0,0,0|0,0,2]=4 5953 B14R1.598 COCC(=O)CCc1ccccc1O 1458a_100000210968_100000722297 [0,2,0,0,0,0|0,0,2]=4 5954 B14R1.598 COCC(=O)NCc1ccccc1Br 11a_100000689332_100000210968 [0,2,0,0,0,0|1,0,1]=4 5955 B14R1.598 COCC(=O)NCc1ccccc1Br 1626a_100000689332_100000210968 [0,2,0,0,0,0|1,0,1]=4 5956 B14R1.598 COCC(=O)NCc1ccccc1Br 240690a_100000689332_100000210968 [0,2,0,0,0,0|1,0,1]=4 5957 B14R1.598 COCC(=O)NCc1ccccc1Br 527a_100000689332_100000210968 [0,2,0,0,0,0|1,0,1]=4 5958 B14R1.598 COCC(=O)NCc1ccccc1C 11a_100000174972_100000210968 [0,2,0,0,0,0|1,0,1]=4 5959 B14R1.598 COCC(=O)NCc1ccccc1C 1626a_100000174972_100000210968 [0,2,0,0,0,0|1,0,1]=4 5960 B14R1.598 COCC(=O)NCc1ccccc1C 240690a_100000174972_100000210968 [0,2,0,0,0,0|1,0,1]=4 5961 B14R1.598 COCC(=O)NCc1ccccc1C 34a_100138415774_100000230231 [0,2,0,0,0,0|1,0,1]=4 5962 B14R1.598 COCC(=O)NCc1ccccc1C 527a_100000174972_100000210968 [0,2,0,0,0,0|1,0,1]=4 5963 B14R1.598 COCC(=O)NCc1ccccc1Cl 11a_100000174879_100000210968 [0,2,0,0,0,0|1,0,1]=4 5964 B14R1.598 COCC(=O)NCc1ccccc1Cl 1626a_100000174879_100000210968 [0,2,0,0,0,0|1,0,1]=4 5965 B14R1.598 COCC(=O)NCc1ccccc1Cl 240690a_100000174879_100000210968 [0,2,0,0,0,0|1,0,1]=4 5966 B14R1.598 COCC(=O)NCc1ccccc1Cl 527a_100000174879_100000210968 [0,2,0,0,0,0|1,0,1]=4 5967 B14R1.598 COCC(=O)NCc1ccccc1F 11a_100000174869_100000210968 [0,2,0,0,0,0|1,0,1]=4 5968 B14R1.598 COCC(=O)NCc1ccccc1F 1626a_100000174869_100000210968 [0,2,0,0,0,0|1,0,1]=4 5969 B14R1.598 COCC(=O)NCc1ccccc1F 240690a_100000174869_100000210968 [0,2,0,0,0,0|1,0,1]=4 5970 B14R1.598 COCC(=O)NCc1ccccc1F 34a_100138415774_100000190583 [0,2,0,0,0,0|1,0,1]=4 5971 B14R1.598 COCC(=O)NCc1ccccc1F 527a_100000174869_100000210968 [0,2,0,0,0,0|1,0,1]=4 5972 B14R1.598 COCC(=O)NCc1ccccc1I 11a_100015347259_100000210968 [0,2,0,0,0,0|1,0,1]=4 5973 B14R1.598 COCC(=O)NCc1ccccc1I 1626a_100015347259_100000210968 [0,2,0,0,0,0|1,0,1]=4 5974 B14R1.598 COCC(=O)NCc1ccccc1I 240690a_100015347259_100000210968 [0,2,0,0,0,0|1,0,1]=4 5975 B14R1.598 COCC(=O)NCc1ccccc1I 527a_100015347259_100000210968 [0,2,0,0,0,0|1,0,1]=4 5976 B14R1.598 COCC(=O)NCc1ccccc1O 240690a_100000185550_100000210968 [0,2,0,0,0,0|1,0,1]=4 5977 B14R1.598 COCC(=O)NCc1ccccc1O 527a_100000185550_100000210968 [0,2,0,0,0,0|1,0,1]=4 5978 B14R1.598 COCC(=O)NNc1ccccc1Br 22a_100000241748_100000210968 [0,2,0,0,0,0|2,0,0]=4 5979 B14R1.598 COCC(=O)NNc1ccccc1C 22a_100000184220_100000210968 [0,2,0,0,0,0|2,0,0]=4 5980 B14R1.598 COCC(=O)NNc1ccccc1Cl 22a_100000683529_100000210968 [0,2,0,0,0,0|2,0,0]=4 5981 B14R1.598 COCC(=O)NNc1ccccc1F 22a_100000239246_100000210968 [0,2,0,0,0,0|2,0,0]=4 5982 B14R1.598 COCC(=O)NNc1ccccc1I 22a_100011218156_100000210968 [0,2,0,0,0,0|2,0,0]=4 5983 B14R1.598 N#CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011214920 [0,2,0,0,0,0|1,0,1]=4 5984 B14R1.598 N#CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011214920 [0,2,0,0,0,0|1,0,1]=4 5985 B14R1.598 N#CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011214920 [0,2,0,0,0,0|1,0,1]=4 5986 B14R1.598 N#CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011214920 [0,2,0,0,0,0|1,0,1]=4 5987 B14R1.598 O=C(C=Cc1ccccc1Br)CCF 1458a_100000719032_100011217306 [0,2,0,0,0,0|1,0,0]=3 5988 B14R1.598 O=C(C=Cc1ccccc1Br)CCO 1458a_100000719032_100000211926 [0,2,0,0,0,0|1,0,0]=3 5989 B14R1.598 O=C(C=Cc1ccccc1Cl)CCF 1458a_100000720304_100011217306 [0,2,0,0,0,0|1,0,0]=3 5990 B14R1.598 O=C(C=Cc1ccccc1Cl)CCO 1458a_100000720304_100000211926 [0,2,0,0,0,0|1,0,0]=3 5991 B14R1.598 O=C(C=Cc1ccccc1F)CCF 1458a_100016256065_100011217306 [0,2,0,0,0,0|1,0,0]=3 5992 B14R1.598 O=C(C=Cc1ccccc1F)CCO 1458a_100016256065_100000211926 [0,2,0,0,0,0|1,0,0]=3 5993 B14R1.598 O=C(C=Cc1ccccc1O)CCF 1458a_100016263591_100011217306 [0,2,0,0,0,0|1,0,0]=3 5994 B14R1.598 O=C(C=Cc1ccccc1O)CCO 1458a_100016263591_100000211926 [0,2,0,0,0,0|1,0,0]=3 5995 B14R1.818 C=C(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000748629 [0,2,0,0,0,0|1,0,0]=3 5996 B14R1.818 C=C(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000748629 [0,2,0,0,0,0|2,0,0]=4 5997 B14R1.818 C=C(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000748629 [0,2,0,0,0,0|2,0,0]=4 5998 B14R1.818 C=C(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000748629 [0,2,0,0,0,0|2,0,0]=4 5999 B14R1.818 C=C(F)CC(=O)C=Cc1ccccc1 1458a_100000210462_100009893438 [0,2,0,0,0,0|1,0,1]=4 6000 B14R1.818 CC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000210624 [0,2,0,0,0,0|1,0,0]=3 6001 B14R1.818 CC(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000210624 [0,2,0,0,0,0|2,0,0]=4 6002 B14R1.818 CC(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000210624 [0,2,0,0,0,0|2,0,0]=4 6003 B14R1.818 CC(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000210624 [0,2,0,0,0,0|2,0,0]=4 6004 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 11a_100138425928_100000210462 [0,2,0,0,0,0|1,0,0]=3 6005 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 1626a_100138425928_100000210462 [0,2,0,0,0,0|1,0,0]=3 6006 B14R1.818 CC(C)NC(=O)C=Cc1ccccn1 11a_100138425928_100000740811 [0,2,0,0,0,0|2,0,0]=4 6007 B14R1.818 CC(C)NC(=O)C=Cc1ccccn1 240690a_100138425928_100000740811 [0,2,0,0,0,0|2,0,0]=4 6008 B14R1.818 CC(C)NC(=O)C=Cc1cccnc1 11a_100138425928_100000735890 [0,2,0,0,0,0|2,0,0]=4 6009 B14R1.818 CC(C)NC(=O)C=Cc1cccnc1 240690a_100138425928_100000735890 [0,2,0,0,0,0|2,0,0]=4 6010 B14R1.818 CC(C)NC(=O)C=Cc1ccncc1 240690a_100138425928_100000682801 [0,2,0,0,0,0|2,0,0]=4 6011 B14R1.818 CC(C)OC(=O)CNc1ccccc1 34a_100000106764_100011215430 [0,2,0,0,0,0|1,0,1]=4 6012 B14R1.818 CC(C)OC(=O)COc1ccccc1 34a_100000210340_100011215430 [0,2,0,0,0,0|1,0,1]=4 6013 B14R1.818 CC(C)OC(=O)COc1ccccc1 7a_100000210340_100011215430 [0,2,0,0,0,0|1,0,1]=4 6014 B14R1.818 CC(C)OC(=O)CSc1ccccc1 62a_100000719477_100011215430 [0,2,0,0,0,0|1,0,1]=4 6015 B14R1.818 CC(C)OC(=O)CSc1ccccc1 62a_100011215430_100000041952 [0,2,0,0,0,0|1,0,1]=4 6016 B14R1.818 CC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011218427 [0,2,0,0,0,0|1,0,0]=3 6017 B14R1.818 CC(O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100011218427 [0,2,0,0,0,0|2,0,0]=4 6018 B14R1.818 CC(O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100011218427 [0,2,0,0,0,0|2,0,0]=4 6019 B14R1.818 CC(O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100011218427 [0,2,0,0,0,0|2,0,0]=4 6020 B14R1.818 NC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000187820 [0,2,0,0,0,0|1,0,1]=4 6021 B14R1.818 O=C(C=Cc1ccccc1)CC(F)F 1458a_100000210462_100011934356 [0,2,0,0,0,0|1,0,0]=3 6022 B14R1.818 O=C(C=Cc1ccccc1)C[N+](=O)[O-] 1458a_100000210462_100000761209 [0,2,0,0,0,0|2,0,0]=4 6023 B14R1.818 O=C(C=Cc1ccccn1)CC(F)F 1458a_100000740811_100011934356 [0,2,0,0,0,0|2,0,0]=4 6024 B14R1.818 O=C(C=Cc1cccnc1)CC(F)F 1458a_100000735890_100011934356 [0,2,0,0,0,0|2,0,0]=4 6025 B14R1.818 O=C(C=Cc1ccncc1)CC(F)F 1458a_100000682801_100011934356 [0,2,0,0,0,0|2,0,0]=4 6026 B14R1.818 O=C([O-])CC(=O)C=Cc1ccccc1 1458a_100000210462_100020667443 [0,2,0,0,0,0|1,0,1]=4 6027 B14R1.6829 CCNS(=O)(=O)C=Cc1ccccc1 40a_100015525214_100011098038 [0,2,0,0,0,0|2,0,0]=4 6028 B14R1.6829 CNNS(=O)(=O)C=Cc1ccccc1 40a_100016993582_100011098038 [0,2,0,0,0,0|2,0,0]=4 6029 B14R1.425 C/C(=C\c1ccccc1)/C(=O)C(C)C 1458a_100016990649_100000210206 [0,2,0,0,0,0|1,0,0]=3 6030 B14R1.425 C/C(=C\c1ccccc1)/C(=O)N(C)C 11a_100102631434_100016990649 [0,2,0,0,0,0|1,0,0]=3 6031 B14R1.425 C/C(=C\c1ccccc1)/C(=O)N(C)C 1626a_100102631434_100016990649 [0,2,0,0,0,0|1,0,0]=3 6032 B14R1.425 C/C(=C\c1ccccc1)/C(=O)N(C)C 527a_100102631434_100016990649 [0,2,0,0,0,0|1,0,0]=3 6033 B14R1.425 C/C(=C\c1ccccn1)/C(=O)C(C)C 1458a_100025712827_100000210206 [0,2,0,0,0,0|2,0,0]=4 6034 B14R1.425 C/C(=C\c1ccccn1)/C(=O)N(C)C 11a_100102631434_100025712827 [0,2,0,0,0,0|2,0,0]=4 6035 B14R1.425 C/C(=C\c1ccccn1)/C(=O)N(C)C 1626a_100102631434_100025712827 [0,2,0,0,0,0|2,0,0]=4 6036 B14R1.425 C/C(=C\c1ccccn1)/C(=O)N(C)C 527a_100102631434_100025712827 [0,2,0,0,0,0|2,0,0]=4 6037 B14R1.425 C=C(Cc1ccccc1)C(=O)N(C)C 11a_100102631434_100000066491 [0,2,0,0,0,0|1,0,1]=4 6038 B14R1.425 C=C(Cc1ccccc1)C(=O)N(C)C 1626a_100102631434_100000066491 [0,2,0,0,0,0|1,0,1]=4 6039 B14R1.425 CC(C)C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210206 [0,2,0,0,0,0|1,0,0]=3 6040 B14R1.425 CC(C)C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210206 [0,2,0,0,0,0|1,0,0]=3 6041 B14R1.425 CC(C)C(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210206 [0,2,0,0,0,0|2,0,0]=4 6042 B14R1.425 CC(C)C(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210206 [0,2,0,0,0,0|2,0,0]=4 6043 B14R1.425 CN(C)C(=O)/C(=C/c1ccccc1)/Cl 11a_100102631434_200020598536 [0,2,0,0,0,0|1,0,0]=3 6044 B14R1.425 CN(C)C(=O)/C(=C/c1ccccc1)/Cl 1626a_100102631434_200020598536 [0,2,0,0,0,0|1,0,0]=3 6045 B14R1.425 CN(C)C(=O)/C(=C/c1ccccc1)/Cl 240690a_100102631434_200020598536 [0,2,0,0,0,0|1,0,0]=3 6046 B14R1.425 CN(C)C(=O)/C(=C/c1ccccc1)/Cl 527a_100102631434_200020598536 [0,2,0,0,0,0|1,0,0]=3 6047 B14R1.425 CN(C)C(=O)/C(=C\c1ccccc1)/F 11a_100102631434_100020889036 [0,2,0,0,0,0|1,0,0]=3 6048 B14R1.425 CN(C)C(=O)/C(=C\c1ccccc1)/F 527a_100102631434_100020889036 [0,2,0,0,0,0|1,0,0]=3 6049 B14R1.425 CN(C)C(=O)C(=Cc1cccnc1)F 11a_100102631434_100000731744 [0,2,0,0,0,0|2,0,0]=4 6050 B14R1.425 CN(C)C(=O)C(=Cc1cccnc1)F 240690a_100102631434_100000731744 [0,2,0,0,0,0|2,0,0]=4 6051 B14R1.425 CN(C)C(=O)C(=Cc1cccnc1)F 527a_100102631434_100000731744 [0,2,0,0,0,0|2,0,0]=4 6052 B14R1.425 CN(C)C(=O)C(=O)Cc1ccccc1 1458a_100011218876_100015291786 [0,2,0,0,0,0|1,0,1]=4 6053 B14R1.425 CN(C)C(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011218876 [0,2,0,0,0,0|2,0,0]=4 6054 B14R1.425 CN(C)C(=O)C(=O)Nc1ccccc1 22a_100000106764_100011218876 [0,2,0,0,0,0|2,0,0]=4 6055 B14R1.425 CN(C)C(=O)C(=O)Nc1ccccc1 240690a_100102631434_100000738435 [0,2,0,0,0,0|2,0,0]=4 6056 B14R1.425 CN(C)C(=O)C(=O)Nc1ccccc1 527a_100000106764_100011218876 [0,2,0,0,0,0|2,0,0]=4 6057 B14R1.1007 CC(=Cc1ccccc1Cl)C(=O)CF 1458a_100000693296_100015361967 [0,2,0,0,0,0|2,0,0]=4 6058 B14R1.1007 CCC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_100000210202 [0,2,0,0,0,0|1,0,0]=3 6059 B14R1.1007 CCC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_100000210202 [0,2,0,0,0,0|2,0,0]=4 6060 B14R1.1007 CCC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_100000210202 [0,2,0,0,0,0|2,0,0]=4 6061 B14R1.1007 CNC(=O)C(=Cc1ccccc1Cl)C 11a_106832991635_100000693296 [0,2,0,0,0,0|1,0,0]=3 6062 B14R1.1007 CNC(=O)C(=Cc1ccccc1Cl)C 1626a_100102657272_100000693296 [0,2,0,0,0,0|1,0,0]=3 6063 B14R1.1007 CNC(=O)C(=Cc1ccccc1Cl)C 240690a_100102657272_100000693296 [0,2,0,0,0,0|1,0,0]=3 6064 B14R1.1007 CNC(=O)C(=Cc1ccccc1Cl)C 527a_100102657272_100000693296 [0,2,0,0,0,0|1,0,0]=3 6065 B14R1.1007 CNC(=O)C(=O)Cc1ccccc1Br 1458a_100011218921_100000184730 [0,2,0,0,0,0|1,0,1]=4 6066 B14R1.1007 CNC(=O)C(=O)Cc1ccccc1C 1458a_100011218921_100000211839 [0,2,0,0,0,0|1,0,1]=4 6067 B14R1.1007 CNC(=O)C(=O)Cc1ccccc1Cl 1458a_100011218921_100000187162 [0,2,0,0,0,0|1,0,1]=4 6068 B14R1.1007 CNC(=O)C(=O)Cc1ccccc1F 1458a_100011218921_100000187165 [0,2,0,0,0,0|1,0,1]=4 6069 B14R1.1007 CNC(=O)C(=O)Cc1ccccc1I 1458a_100011218921_100011216222 [0,2,0,0,0,0|1,0,1]=4 6070 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1Br 1626a_100000210017_100011218921 [0,2,0,0,0,0|2,0,0]=4 6071 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1C 1626a_100015192222_100011218921 [0,2,0,0,0,0|2,0,0]=4 6072 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1C 22a_100015192222_100011218921 [0,2,0,0,0,0|2,0,0]=4 6073 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1C 240690a_100102657272_200011297352 [0,2,0,0,0,0|2,0,0]=4 6074 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1C 527a_100015192222_100011218921 [0,2,0,0,0,0|2,0,0]=4 6075 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1Cl 1626a_100000185783_100011218921 [0,2,0,0,0,0|2,0,0]=4 6076 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1Cl 22a_100000185783_100011218921 [0,2,0,0,0,0|2,0,0]=4 6077 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1Cl 240690a_100102657272_200011297307 [0,2,0,0,0,0|2,0,0]=4 6078 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1Cl 527a_100000185783_100011218921 [0,2,0,0,0,0|2,0,0]=4 6079 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1F 1626a_100000210422_100011218921 [0,2,0,0,0,0|2,0,0]=4 6080 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1F 22a_100000210422_100011218921 [0,2,0,0,0,0|2,0,0]=4 6081 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1F 240690a_100102657272_200011297310 [0,2,0,0,0,0|2,0,0]=4 6082 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1F 527a_100000210422_100011218921 [0,2,0,0,0,0|2,0,0]=4 6083 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1I 1626a_100000210053_100011218921 [0,2,0,0,0,0|2,0,0]=4 6084 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1O 22a_100000185747_100011218921 [0,2,0,0,0,0|2,0,0]=4 6085 B14R1.1007 CNC(=O)C(=O)Nc1ccccc1O 527a_100000185747_100011218921 [0,2,0,0,0,0|2,0,0]=4 6086 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Br 11a_100000210017_100000024059 [0,2,0,0,0,0|1,0,0]=3 6087 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Br 1626a_100000210017_100000024059 [0,2,0,0,0,0|1,0,0]=3 6088 B14R1.1007 COC(=O)C(=O)Nc1ccccc1C 11a_100015192222_100000024059 [0,2,0,0,0,0|1,0,0]=3 6089 B14R1.1007 COC(=O)C(=O)Nc1ccccc1C 1626a_100015192222_100000024059 [0,2,0,0,0,0|1,0,0]=3 6090 B14R1.1007 COC(=O)C(=O)Nc1ccccc1C 527a_100015192222_100000024059 [0,2,0,0,0,0|1,0,0]=3 6091 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Cl 11a_100000185783_100000024059 [0,2,0,0,0,0|1,0,0]=3 6092 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000024059 [0,2,0,0,0,0|1,0,0]=3 6093 B14R1.1007 COC(=O)C(=O)Nc1ccccc1Cl 527a_100000185783_100000024059 [0,2,0,0,0,0|1,0,0]=3 6094 B14R1.1007 COC(=O)C(=O)Nc1ccccc1F 11a_100000210422_100000024059 [0,2,0,0,0,0|1,0,0]=3 6095 B14R1.1007 COC(=O)C(=O)Nc1ccccc1F 1626a_100000210422_100000024059 [0,2,0,0,0,0|1,0,0]=3 6096 B14R1.1007 COC(=O)C(=O)Nc1ccccc1F 527a_100000210422_100000024059 [0,2,0,0,0,0|1,0,0]=3 6097 B14R1.1007 COC(=O)C(=O)Nc1ccccc1I 11a_100000210053_100000024059 [0,2,0,0,0,0|1,0,0]=3 6098 B14R1.1007 COC(=O)C(=O)Nc1ccccc1I 1626a_100000210053_100000024059 [0,2,0,0,0,0|1,0,0]=3 6099 B14R1.1007 COC(=O)C(=O)Nc1ccccc1O 527a_100000185747_100000024059 [0,2,0,0,0,0|1,0,0]=3 6100 B14R1.1007 COC(=O)C(C)Nc1ccccc1Br 34a_100000210017_100000211248 [0,2,0,0,0,0|1,0,1]=4 6101 B14R1.1007 COC(=O)C(C)Nc1ccccc1C 34a_100015192222_100000211248 [0,2,0,0,0,0|1,0,1]=4 6102 B14R1.1007 COC(=O)C(C)Nc1ccccc1Cl 34a_100000185783_100000211248 [0,2,0,0,0,0|1,0,1]=4 6103 B14R1.1007 COC(=O)C(C)Nc1ccccc1F 34a_100000210422_100000211248 [0,2,0,0,0,0|1,0,1]=4 6104 B14R1.1007 COC(=O)C(C)Nc1ccccc1I 34a_100000210053_100000211248 [0,2,0,0,0,0|1,0,1]=4 6105 B14R1.1007 COC(=O)C(C)Nc1ccccc1O 34a_100000185747_100000211248 [0,2,0,0,0,0|1,0,1]=4 6106 B14R1.1007 COC(=O)C(C)Oc1ccccc1Br 34a_100000181306_100000211248 [0,2,0,0,0,0|1,0,1]=4 6107 B14R1.1007 COC(=O)C(C)Oc1ccccc1Br 7a_100000181306_100000211248 [0,2,0,0,0,0|1,0,1]=4 6108 B14R1.1007 COC(=O)C(C)Oc1ccccc1C 34a_100000210338_100000211248 [0,2,0,0,0,0|1,0,1]=4 6109 B14R1.1007 COC(=O)C(C)Oc1ccccc1C 7a_100000210338_100000211248 [0,2,0,0,0,0|1,0,1]=4 6110 B14R1.1007 COC(=O)C(C)Oc1ccccc1Cl 34a_100000210172_100000211248 [0,2,0,0,0,0|1,0,1]=4 6111 B14R1.1007 COC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100000211248 [0,2,0,0,0,0|1,0,1]=4 6112 B14R1.1007 COC(=O)C(C)Oc1ccccc1F 34a_100000210171_100000211248 [0,2,0,0,0,0|1,0,1]=4 6113 B14R1.1007 COC(=O)C(C)Oc1ccccc1F 7a_100000210171_100000211248 [0,2,0,0,0,0|1,0,1]=4 6114 B14R1.1007 COC(=O)C(C)Oc1ccccc1I 34a_100000739446_100000211248 [0,2,0,0,0,0|1,0,1]=4 6115 B14R1.1007 COC(=O)C(C)Oc1ccccc1I 7a_100000739446_100000211248 [0,2,0,0,0,0|1,0,1]=4 6116 B14R1.1007 COC(=O)C(C)Oc1ccccc1N 34a_100000185747_100000211248 [0,2,0,0,0,0|1,0,1]=4 6117 B14R1.1007 COC(=O)C(C)Oc1ccccc1N 7a_100000185747_100000211248 [0,2,0,0,0,0|1,0,1]=4 6118 B14R1.1007 COC(=O)C(C)Sc1ccccc1Br 62a_100000211248_100000695589 [0,2,0,0,0,0|1,0,1]=4 6119 B14R1.1007 COC(=O)C(C)Sc1ccccc1Br 62a_100000695589_100000211248 [0,2,0,0,0,0|1,0,1]=4 6120 B14R1.1007 COC(=O)C(C)Sc1ccccc1C 62a_100000210755_100000211248 [0,2,0,0,0,0|1,0,1]=4 6121 B14R1.1007 COC(=O)C(C)Sc1ccccc1C 62a_100000211248_100000210755 [0,2,0,0,0,0|1,0,1]=4 6122 B14R1.1007 COC(=O)C(C)Sc1ccccc1Cl 62a_100000211248_100000764095 [0,2,0,0,0,0|1,0,1]=4 6123 B14R1.1007 COC(=O)C(C)Sc1ccccc1Cl 62a_100000764095_100000211248 [0,2,0,0,0,0|1,0,1]=4 6124 B14R1.1007 COC(=O)C(C)Sc1ccccc1F 62a_100000211248_100011215700 [0,2,0,0,0,0|1,0,1]=4 6125 B14R1.1007 COC(=O)C(C)Sc1ccccc1F 62a_100011215700_100000211248 [0,2,0,0,0,0|1,0,1]=4 6126 B14R1.1007 COC(=O)C(C)Sc1ccccc1N 62a_100000210017_100000211248 [0,2,0,0,0,0|1,0,1]=4 6127 B14R1.1007 COC(=O)C(C)Sc1ccccc1N 62a_100000211248_100000210017 [0,2,0,0,0,0|1,0,1]=4 6128 B14R1.1007 COC(=O)C(C)Sc1ccccc1O 62a_100000211248_100000739446 [0,2,0,0,0,0|1,0,1]=4 6129 B14R1.1007 COC(=O)C(C)Sc1ccccc1O 62a_100000739446_100000211248 [0,2,0,0,0,0|1,0,1]=4 6130 B14R1.1031 CCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000210202 [0,2,0,0,0,0|1,0,0]=3 6131 B14R1.1031 CCC(Nc1ccccc1)C(=O)OC 34a_100000106764_100000235869 [0,2,0,0,0,0|1,0,1]=4 6132 B14R1.1031 CCC(Oc1ccccc1)C(=O)OC 34a_100000210340_100000235869 [0,2,0,0,0,0|1,0,1]=4 6133 B14R1.1031 CCC(Oc1ccccc1)C(=O)OC 7a_100000210340_100000742303 [0,2,0,0,0,0|1,0,1]=4 6134 B14R1.1031 CCC(Sc1ccccc1)C(=O)OC 62a_100000235869_100000041952 [0,2,0,0,0,0|1,0,1]=4 6135 B14R1.1031 CCC(Sc1ccccc1)C(=O)OC 62a_100000719477_100000235869 [0,2,0,0,0,0|1,0,1]=4 6136 B14R1.1031 CNC(=O)C(=Cc1ccccc1)C#N 527a_100102657272_100000162679 [0,2,0,0,0,0|1,0,0]=3 6137 B14R1.1031 CNC(Cc1ccccc1)C(=O)OC 34a_100102657272_100000764117 [0,2,0,0,0,0|0,0,2]=4 6138 B14R1.1031 COC(=O)C(=Cc1cncnc1)C#N 6a_100000749868_100000210149 [0,2,0,0,0,0|2,0,0]=4 6139 B14R1.1031 COC(=O)C(C=O)Nc1ccccc1 34a_100000106764_100000046368 [0,2,0,0,0,0|1,0,1]=4 6140 B14R1.1031 COC(=O)C(C=O)Oc1ccccc1 34a_100000210340_100000046368 [0,2,0,0,0,0|1,0,1]=4 6141 B14R1.1031 COC(=O)C(C=O)Sc1ccccc1 62a_100000046368_100000041952 [0,2,0,0,0,0|1,0,1]=4 6142 B14R1.1031 COC(=O)C(C=O)Sc1ccccc1 62a_100000719477_100000046368 [0,2,0,0,0,0|1,0,1]=4 6143 B14R1.1031 COC(=O)C(CO)Nc1ccccc1 34a_100000106764_100012276630 [0,2,0,0,0,0|1,0,1]=4 6144 B14R1.1031 COC(=O)C(CO)Oc1ccccc1 34a_100000210340_100012276630 [0,2,0,0,0,0|1,0,1]=4 6145 B14R1.1031 COC(=O)C(CO)Sc1ccccc1 62a_100000719477_100012276630 [0,2,0,0,0,0|1,0,1]=4 6146 B14R1.1031 COC(=O)C(CO)Sc1ccccc1 62a_100012276630_100000041952 [0,2,0,0,0,0|1,0,1]=4 6147 B14R1.1031 COC(=O)C(Cc1ccccc1)OC 34a_100138415774_100000764117 [0,2,0,0,0,0|0,0,2]=4 6148 B14R1.1031 COC(=O)C(Cc1ccccc1)SC 62a_100000764117_200000210301 [0,2,0,0,0,0|0,0,2]=4 6149 B14R1.1031 COC(=O)C(Cc1ccccc1)SC 62a_200000210301_100000764117 [0,2,0,0,0,0|0,0,2]=4 6150 B14R1.1031 COC(=O)C(Cc1ccccc1)S[13CH3] 62a_100000764117_200025704644 [0,2,0,0,0,0|0,0,2]=4 6151 B14R1.1031 COC(=O)C(Cc1ccccc1)S[13CH3] 62a_200025704644_100000764117 [0,2,0,0,0,0|0,0,2]=4 6152 B14R1.1031 COC(=O)C(Nc1ccccc1)OC 34a_100000106764_100000101307 [0,2,0,0,0,0|1,0,1]=4 6153 B14R1.1031 COC(=O)C(OC)Oc1ccccc1 34a_100000210340_100000101307 [0,2,0,0,0,0|1,0,1]=4 6154 B14R1.1031 COC(=O)C(OC)Sc1ccccc1 62a_100000101307_100000041952 [0,2,0,0,0,0|1,0,1]=4 6155 B14R1.1031 COC(=O)C(OC)Sc1ccccc1 62a_100000719477_100000101307 [0,2,0,0,0,0|1,0,1]=4 6156 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)OC 34a_100009819611_200000210301 [0,2,0,0,0,0|0,0,2]=4 6157 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)OC 7a_100009819611_200000210301 [0,2,0,0,0,0|0,0,2]=4 6158 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)O[13CH3] 34a_100009819611_200025704644 [0,2,0,0,0,0|0,0,2]=4 6159 B14R1.1031 COC(=O)[C@@H](Cc1ccccc1)O[13CH3] 7a_100009819611_200025704644 [0,2,0,0,0,0|0,0,2]=4 6160 B14R1.1031 N#CC(=Cc1ccccc1)C(=O)CF 1458a_100000162679_100015361967 [0,2,0,0,0,0|2,0,0]=4 6161 B14R1.1107 COC(=O)C(C)(C)Sc1ccccc1 62a_100000689032_100000041952 [0,2,0,0,0,0|1,0,1]=4 6162 B14R1.1107 COC(=O)C(C)(C)Sc1ccccc1 62a_100000719477_100000689032 [0,2,0,0,0,0|1,0,1]=4 6163 B14R1.1107 COC(=O)C(C)(F)Nc1ccccc1 34a_100000106764_200009867631 [0,2,0,0,0,0|1,0,1]=4 6164 B14R1.1107 COC(=O)C(C)(F)Oc1ccccc1 34a_100000210340_200009867631 [0,2,0,0,0,0|1,0,1]=4 6165 B14R1.1107 COC(=O)C(C)(F)Sc1ccccc1 62a_100000719477_200009867631 [0,2,0,0,0,0|1,0,1]=4 6166 B14R1.1107 COC(=O)C(C)(F)Sc1ccccc1 62a_200009867631_100000041952 [0,2,0,0,0,0|1,0,1]=4 6167 B14R1.1107 COC(=O)C(F)(F)Nc1ccccc1 34a_100000106764_100000211177 [0,2,0,0,0,0|1,0,1]=4 6168 B14R1.1107 COC(=O)C(F)(F)Oc1ccccc1 34a_100000210340_100000211177 [0,2,0,0,0,0|1,0,1]=4 6169 B14R1.1107 COC(=O)C(F)(F)Oc1ccccc1 7a_100000210340_100000211177 [0,2,0,0,0,0|1,0,1]=4 6170 B14R1.1107 COC(=O)C(F)(F)Sc1ccccc1 62a_100000211177_100000041952 [0,2,0,0,0,0|1,0,1]=4 6171 B14R1.1107 COC(=O)C(F)(F)Sc1ccccc1 62a_100000719477_100000211177 [0,2,0,0,0,0|1,0,1]=4 6172 B14R1.6395 CN(C)S(=O)(=O)C=Cc1ccccc1 40a_100102631434_100011098038 [0,2,0,0,0,0|2,0,0]=4 6173 B14R1.161 CC(C)C(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210206 [0,2,0,0,0,0|1,0,0]=3 6174 B14R1.161 CC(C)C(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210206 [0,2,0,0,0,0|1,0,0]=3 6175 B14R1.161 CC(C)C(=O)C=Cc1ccccc1F 1458a_100016256065_100000210206 [0,2,0,0,0,0|1,0,0]=3 6176 B14R1.161 CC(C)C(=O)C=Cc1ccccc1O 1458a_100016263591_100000210206 [0,2,0,0,0,0|1,0,0]=3 6177 B14R1.161 CN(C)C(=O)C=Cc1ccccc1Br 11a_100102631434_100000719032 [0,2,0,0,0,0|1,0,0]=3 6178 B14R1.161 CN(C)C(=O)C=Cc1ccccc1Br 1626a_100102631434_100000719032 [0,2,0,0,0,0|1,0,0]=3 6179 B14R1.161 CN(C)C(=O)C=Cc1ccccc1Br 240690a_100102631434_100000719032 [0,2,0,0,0,0|1,0,0]=3 6180 B14R1.161 CN(C)C(=O)C=Cc1ccccc1Cl 11a_100102631434_100000720304 [0,2,0,0,0,0|1,0,0]=3 6181 B14R1.161 CN(C)C(=O)C=Cc1ccccc1Cl 1626a_100102631434_100000720304 [0,2,0,0,0,0|1,0,0]=3 6182 B14R1.161 CN(C)C(=O)C=Cc1ccccc1Cl 240690a_100102631434_100000720304 [0,2,0,0,0,0|1,0,0]=3 6183 B14R1.161 CN(C)C(=O)C=Cc1ccccc1F 11a_100102631434_100016256065 [0,2,0,0,0,0|1,0,0]=3 6184 B14R1.161 CN(C)C(=O)C=Cc1ccccc1F 1626a_100102631434_100016256065 [0,2,0,0,0,0|1,0,0]=3 6185 B14R1.161 CN(C)C(=O)C=Cc1ccccc1F 240690a_100102631434_100016256065 [0,2,0,0,0,0|1,0,0]=3 6186 B14R1.161 Cc1ccccc1C=CC(=O)N(C)C 1626a_100102631434_100016266485 [0,2,0,0,0,0|1,0,0]=3 6187 B14R1.3099 O=C(C=Cc1ccccc1)C(F)(F)F 1458a_100000210462_200000243211 [0,2,0,0,0,0|2,0,0]=4 6188 B14R1.863 C#Cc1ccccc1NCC(=O)OC 34a_100011470550_100000747449 [0,2,0,0,0,0|1,0,1]=4 6189 B14R1.863 C#Cc1ccccc1OCC(=O)OC 34a_200011470546_100000747449 [0,2,0,0,0,0|1,0,1]=4 6190 B14R1.863 C#Cc1ccccc1OCC(=O)OC 7a_200011470546_100000747449 [0,2,0,0,0,0|1,0,1]=4 6191 B14R1.863 C=Cc1ccccc1/C=C/C(=O)OC 271570a_100011290941_100000151022 [0,2,0,0,0,0|0,0,0]=2 6192 B14R1.863 C=Cc1ccccc1CCC(=O)OC 271570a_100011290941_100009815308 [0,2,0,0,0,0|0,0,2]=4 6193 B14R1.863 C=Cc1ccccc1NCC(=O)OC 34a_100012022501_100000747449 [0,2,0,0,0,0|1,0,1]=4 6194 B14R1.863 C=Cc1ccccc1OCC(=O)OC 271570a_100011290941_200000173920 [0,2,0,0,0,0|1,0,1]=4 6195 B14R1.863 C=Cc1ccccc1SCC(=O)OC 62a_100000747449_100011218376 [0,2,0,0,0,0|1,0,1]=4 6196 B14R1.863 C=Cc1ccccc1SCC(=O)OC 62a_100011218376_100000747449 [0,2,0,0,0,0|1,0,1]=4 6197 B14R1.863 CCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100000210202 [0,2,0,0,0,0|1,0,0]=3 6198 B14R1.863 CCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100000210202 [0,2,0,0,0,0|1,0,0]=3 6199 B14R1.863 CCC(=O)C=Cc1cccnc1OC 1458a_100102601226_100000210202 [0,2,0,0,0,0|2,0,0]=4 6200 B14R1.863 CCc1ccccc1NCC(=O)OC 2230a_100000212081_100000747449 [0,2,0,0,0,0|1,0,1]=4 6201 B14R1.863 CCc1ccccc1NCC(=O)OC 34a_100000212081_100000747449 [0,2,0,0,0,0|1,0,1]=4 6202 B14R1.863 CCc1ccccc1NCC(=O)OC 7a_100000212081_100000747449 [0,2,0,0,0,0|1,0,1]=4 6203 B14R1.863 CCc1ccccc1OCC(=O)OC 34a_100000210936_100000747449 [0,2,0,0,0,0|1,0,1]=4 6204 B14R1.863 CCc1ccccc1OCC(=O)OC 7a_100000210936_100000747449 [0,2,0,0,0,0|1,0,1]=4 6205 B14R1.863 CCc1ccccc1SCC(=O)OC 62a_100000747449_100011215823 [0,2,0,0,0,0|1,0,1]=4 6206 B14R1.863 CCc1ccccc1SCC(=O)OC 62a_100011215823_100000747449 [0,2,0,0,0,0|1,0,1]=4 6207 B14R1.863 CNC(=O)C=Cc1ccccc1C#N 11a_106832991635_100016294624 [0,2,0,0,0,0|1,0,0]=3 6208 B14R1.863 CNC(=O)C=Cc1ccccc1OC 11a_106832991635_100000182468 [0,2,0,0,0,0|1,0,0]=3 6209 B14R1.863 CNC(=O)C=Cc1ccccc1OC 1626a_100102657272_100000182468 [0,2,0,0,0,0|1,0,0]=3 6210 B14R1.863 CNC(=O)C=Cc1cccnc1OC 11a_106832991635_100102601226 [0,2,0,0,0,0|2,0,0]=4 6211 B14R1.863 CNC(=O)C=Cc1cccnc1OC 1626a_100102657272_100102601226 [0,2,0,0,0,0|2,0,0]=4 6212 B14R1.863 CNc1ccccc1OCC(=O)OC 34a_100000033821_100000747449 [0,2,0,0,0,0|1,0,1]=4 6213 B14R1.863 CNc1ccccc1SCC(=O)OC 62a_100000747449_100020606079 [0,2,0,0,0,0|1,0,1]=4 6214 B14R1.863 CNc1ccccc1SCC(=O)OC 62a_100020606079_100000747449 [0,2,0,0,0,0|1,0,1]=4 6215 B14R1.863 COC(=O)/C=C/c1ccccc1SC 62a_100000151022_200000210301 [0,2,0,0,0,0|0,0,0]=2 6216 B14R1.863 COC(=O)/C=C/c1ccccc1SC 62a_200000210301_100000151022 [0,2,0,0,0,0|0,0,0]=2 6217 B14R1.863 COC(=O)/C=C/c1ccccc1S[13CH3] 62a_100000151022_200025704644 [0,2,0,0,0,0|0,0,0]=2 6218 B14R1.863 COC(=O)/C=C/c1ccccc1S[13CH3] 62a_200025704644_100000151022 [0,2,0,0,0,0|0,0,0]=2 6219 B14R1.863 COC(=O)C=Cc1ccccc1OC 34a_200012823195_200000210301 [0,2,0,0,0,0|0,0,0]=2 6220 B14R1.863 COC(=O)C=Cc1ccccc1O[13CH3] 34a_200012823195_200025704644 [0,2,0,0,0,0|0,0,0]=2 6221 B14R1.863 COC(=O)CCc1ccccc1OC 34a_200000148576_200000210301 [0,2,0,0,0,0|0,0,2]=4 6222 B14R1.863 COC(=O)CCc1ccccc1OC 7a_200000148576_200000210301 [0,2,0,0,0,0|0,0,2]=4 6223 B14R1.863 COC(=O)CCc1ccccc1O[13CH3] 34a_200000148576_200025704644 [0,2,0,0,0,0|0,0,2]=4 6224 B14R1.863 COC(=O)CCc1ccccc1O[13CH3] 7a_200000148576_200025704644 [0,2,0,0,0,0|0,0,2]=4 6225 B14R1.863 COC(=O)CCc1ccccc1SC 62a_100009815308_200000210301 [0,2,0,0,0,0|0,0,2]=4 6226 B14R1.863 COC(=O)CCc1ccccc1SC 62a_200000210301_100009815308 [0,2,0,0,0,0|0,0,2]=4 6227 B14R1.863 COC(=O)CCc1ccccc1S[13CH3] 62a_100009815308_200025704644 [0,2,0,0,0,0|0,0,2]=4 6228 B14R1.863 COC(=O)CCc1ccccc1S[13CH3] 62a_200025704644_100009815308 [0,2,0,0,0,0|0,0,2]=4 6229 B14R1.863 COC(=O)CNc1ccccc1C#N 34a_100000211148_100000747449 [0,2,0,0,0,0|1,0,1]=4 6230 B14R1.863 COC(=O)CNc1ccccc1CO 34a_100000212039_100000747449 [0,2,0,0,0,0|1,0,1]=4 6231 B14R1.863 COC(=O)CNc1ccccc1OC 34a_100000210025_100000747449 [0,2,0,0,0,0|1,0,1]=4 6232 B14R1.863 COC(=O)CNc1ccccc1SC 34a_100000211160_100000747449 [0,2,0,0,0,0|1,0,1]=4 6233 B14R1.863 COC(=O)COc1ccccc1C#N 34a_100000211048_100000747449 [0,2,0,0,0,0|1,0,1]=4 6234 B14R1.863 COC(=O)COc1ccccc1C#N 7a_100000211048_100000747449 [0,2,0,0,0,0|1,0,1]=4 6235 B14R1.863 COC(=O)COc1ccccc1CN 34a_100000185550_100000747449 [0,2,0,0,0,0|1,0,1]=4 6236 B14R1.863 COC(=O)COc1ccccc1CO 34a_100011216872_100000747449 [0,2,0,0,0,0|1,0,1]=4 6237 B14R1.863 COC(=O)COc1ccccc1OC 34a_100000210385_100000747449 [0,2,0,0,0,0|1,0,1]=4 6238 B14R1.863 COC(=O)COc1ccccc1SC 34a_100011216402_100000747449 [0,2,0,0,0,0|1,0,1]=4 6239 B14R1.863 COC(=O)COc1ccccc1SC 62a_200000173920_200000210301 [0,2,0,0,0,0|1,0,1]=4 6240 B14R1.863 COC(=O)COc1ccccc1SC 62a_200000210301_200000173920 [0,2,0,0,0,0|1,0,1]=4 6241 B14R1.863 COC(=O)COc1ccccc1S[13CH3] 62a_200000173920_200025704644 [0,2,0,0,0,0|1,0,1]=4 6242 B14R1.863 COC(=O)COc1ccccc1S[13CH3] 62a_200025704644_200000173920 [0,2,0,0,0,0|1,0,1]=4 6243 B14R1.863 COC(=O)CSc1ccccc1C#N 62a_100000747449_100000188569 [0,2,0,0,0,0|1,0,1]=4 6244 B14R1.863 COC(=O)CSc1ccccc1C=O 62a_100000210073_100000747449 [0,2,0,0,0,0|1,0,1]=4 6245 B14R1.863 COC(=O)CSc1ccccc1C=O 62a_100000747449_100000210073 [0,2,0,0,0,0|1,0,1]=4 6246 B14R1.863 COC(=O)CSc1ccccc1CN 62a_100000689332_100000747449 [0,2,0,0,0,0|1,0,1]=4 6247 B14R1.863 COC(=O)CSc1ccccc1CN 62a_100000747449_100000689332 [0,2,0,0,0,0|1,0,1]=4 6248 B14R1.863 COC(=O)CSc1ccccc1CO 62a_100000187465_100000747449 [0,2,0,0,0,0|1,0,1]=4 6249 B14R1.863 COC(=O)CSc1ccccc1CO 62a_100000747449_100000187465 [0,2,0,0,0,0|1,0,1]=4 6250 B14R1.863 COC(=O)CSc1ccccc1NN 62a_100000241748_100000747449 [0,2,0,0,0,0|1,0,1]=4 6251 B14R1.863 COC(=O)CSc1ccccc1NN 62a_100000747449_100000241748 [0,2,0,0,0,0|1,0,1]=4 6252 B14R1.863 COC(=O)CSc1ccccc1OC 62a_100000210334_100000747449 [0,2,0,0,0,0|1,0,1]=4 6253 B14R1.863 COC(=O)CSc1ccccc1OC 62a_100000747449_100000210334 [0,2,0,0,0,0|1,0,1]=4 6254 B14R1.863 COC(=O)CSc1ccccc1SC 62a_100000747449_100011217816 [0,2,0,0,0,0|1,0,1]=4 6255 B14R1.863 COC(=O)CSc1ccccc1SC 62a_100011217816_100000747449 [0,2,0,0,0,0|1,0,1]=4 6256 B14R1.863 COc1ccccc1C=CC(=O)CF 1458a_100000182468_100015361967 [0,2,0,0,0,0|2,0,0]=4 6257 B14R1.863 N#Cc1ccccc1C=CC(=O)CF 1458a_100016294624_100015361967 [0,2,0,0,0,0|2,0,0]=4 6258 B14R1.19598 CCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100000210202 [0,2,0,0,0,0|1,0,0]=3 6259 B14R1.19598 CCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100000210202 [0,2,0,0,0,0|1,0,0]=3 6260 B14R1.19598 CCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100000210202 [0,2,0,0,0,0|1,0,0]=3 6261 B14R1.19598 CCC(=O)C=Cc1c(cccc1I)F 6a_100010178011_100000211110 [0,2,0,0,0,0|1,0,0]=3 6262 B14R1.19598 CCC(=O)C=Cc1c(cncc1Br)Cl 6a_100010064873_100000211110 [0,2,0,0,0,0|2,0,0]=4 6263 B14R1.19598 CCC(=O)C=Cc1c(cncc1Br)F 6a_100010064882_100000211110 [0,2,0,0,0,0|2,0,0]=4 6264 B14R1.19598 CCC(=O)C=Cc1c(cncc1Cl)Cl 6a_100000067493_100000211110 [0,2,0,0,0,0|2,0,0]=4 6265 B14R1.19598 CCC(=O)C=Cc1c(cncc1F)F 6a_100000068831_100000211110 [0,2,0,0,0,0|2,0,0]=4 6266 B14R1.19598 CNC(=O)C=Cc1c(cccc1Cl)Cl 11a_106832991635_100000185082 [0,2,0,0,0,0|1,0,0]=3 6267 B14R1.19598 CNC(=O)C=Cc1c(cccc1Cl)Cl 1626a_100102657272_100000185082 [0,2,0,0,0,0|1,0,0]=3 6268 B14R1.19598 CNC(=O)C=Cc1c(cccc1Cl)Cl 240690a_100102657272_100000185082 [0,2,0,0,0,0|1,0,0]=3 6269 B14R1.19598 CNC(=O)C=Cc1c(cccc1Cl)F 11a_106832991635_100016278423 [0,2,0,0,0,0|1,0,0]=3 6270 B14R1.19598 CNC(=O)C=Cc1c(cccc1Cl)F 1626a_100102657272_100016278423 [0,2,0,0,0,0|1,0,0]=3 6271 B14R1.19598 CNC(=O)C=Cc1c(cccc1Cl)F 240690a_100102657272_100016278423 [0,2,0,0,0,0|1,0,0]=3 6272 B14R1.19598 CNC(=O)C=Cc1c(cccc1F)F 11a_106832991635_100000738813 [0,2,0,0,0,0|1,0,0]=3 6273 B14R1.19598 CNC(=O)C=Cc1c(cccc1F)F 1626a_100102657272_100000738813 [0,2,0,0,0,0|1,0,0]=3 6274 B14R1.19598 CNC(=O)C=Cc1c(cccc1F)F 240690a_100102657272_100000738813 [0,2,0,0,0,0|1,0,0]=3 6275 B14R1.19598 COC(=O)CNc1c(cccc1Br)Br 34a_100000690995_100000747449 [0,2,0,0,0,0|1,0,1]=4 6276 B14R1.19598 COC(=O)CNc1c(cccc1Br)C 34a_100011834072_100000747449 [0,2,0,0,0,0|1,0,1]=4 6277 B14R1.19598 COC(=O)CNc1c(cccc1Br)Cl 34a_100102946385_100000747449 [0,2,0,0,0,0|1,0,1]=4 6278 B14R1.19598 COC(=O)CNc1c(cccc1Br)F 34a_100000684712_100000747449 [0,2,0,0,0,0|1,0,1]=4 6279 B14R1.19598 COC(=O)CNc1c(cccc1Br)O 34a_100011934926_100000747449 [0,2,0,0,0,0|1,0,1]=4 6280 B14R1.19598 COC(=O)CNc1c(cccc1C)C 34a_100000185769_100000747449 [0,2,0,0,0,0|1,0,1]=4 6281 B14R1.19598 COC(=O)CNc1c(cccc1Cl)C 34a_100000756524_100000747449 [0,2,0,0,0,0|1,0,1]=4 6282 B14R1.19598 COC(=O)CNc1c(cccc1Cl)Cl 34a_100000210028_100000747449 [0,2,0,0,0,0|1,0,1]=4 6283 B14R1.19598 COC(=O)CNc1c(cccc1Cl)F 34a_100000760031_100000747449 [0,2,0,0,0,0|1,0,1]=4 6284 B14R1.19598 COC(=O)CNc1c(cccc1Cl)O 34a_100012022510_100000747449 [0,2,0,0,0,0|1,0,1]=4 6285 B14R1.19598 COC(=O)CNc1c(cccc1F)C 34a_100000766463_100000747449 [0,2,0,0,0,0|1,0,1]=4 6286 B14R1.19598 COC(=O)CNc1c(cccc1F)F 2230a_100000210704_100000747449 [0,2,0,0,0,0|1,0,1]=4 6287 B14R1.19598 COC(=O)CNc1c(cccc1F)F 34a_100000210704_100000747449 [0,2,0,0,0,0|1,0,1]=4 6288 B14R1.19598 COC(=O)CNc1c(cccc1F)O 34a_100020591140_100000747449 [0,2,0,0,0,0|1,0,1]=4 6289 B14R1.19598 COC(=O)CNc1c(cccc1I)F 34a_100000042321_100000747449 [0,2,0,0,0,0|1,0,1]=4 6290 B14R1.19598 COC(=O)CNc1c(cccc1O)C 34a_100000743429_100000747449 [0,2,0,0,0,0|1,0,1]=4 6291 B14R1.19598 COC(=O)COc1c(cccc1Br)Br 34a_100000736428_100000747449 [0,2,0,0,0,0|1,0,1]=4 6292 B14R1.19598 COC(=O)COc1c(cccc1Br)Br 7a_100000736428_100000747449 [0,2,0,0,0,0|1,0,1]=4 6293 B14R1.19598 COC(=O)COc1c(cccc1Br)C 34a_100009817157_100000747449 [0,2,0,0,0,0|1,0,1]=4 6294 B14R1.19598 COC(=O)COc1c(cccc1Br)C 7a_100009817157_100000747449 [0,2,0,0,0,0|1,0,1]=4 6295 B14R1.19598 COC(=O)COc1c(cccc1Br)Cl 34a_100010214474_100000747449 [0,2,0,0,0,0|1,0,1]=4 6296 B14R1.19598 COC(=O)COc1c(cccc1Br)Cl 7a_100010214474_100000747449 [0,2,0,0,0,0|1,0,1]=4 6297 B14R1.19598 COC(=O)COc1c(cccc1Br)F 34a_100009813666_100000747449 [0,2,0,0,0,0|1,0,1]=4 6298 B14R1.19598 COC(=O)COc1c(cccc1Br)F 7a_100009813666_100000747449 [0,2,0,0,0,0|1,0,1]=4 6299 B14R1.19598 COC(=O)COc1c(cccc1Br)N 34a_100011934915_100000747449 [0,2,0,0,0,0|1,0,1]=4 6300 B14R1.19598 COC(=O)COc1c(cccc1C)C 34a_100000210341_100000747449 [0,2,0,0,0,0|1,0,1]=4 6301 B14R1.19598 COC(=O)COc1c(cccc1C)C 7a_100000210341_100000747449 [0,2,0,0,0,0|1,0,1]=4 6302 B14R1.19598 COC(=O)COc1c(cccc1Cl)C 34a_100000033731_100000747449 [0,2,0,0,0,0|1,0,1]=4 6303 B14R1.19598 COC(=O)COc1c(cccc1Cl)C 7a_100000033731_100000747449 [0,2,0,0,0,0|1,0,1]=4 6304 B14R1.19598 COC(=O)COc1c(cccc1Cl)Cl 34a_100000211709_100000747449 [0,2,0,0,0,0|1,0,1]=4 6305 B14R1.19598 COC(=O)COc1c(cccc1Cl)Cl 7a_100000211709_100000747449 [0,2,0,0,0,0|1,0,1]=4 6306 B14R1.19598 COC(=O)COc1c(cccc1Cl)F 34a_100000694953_100000747449 [0,2,0,0,0,0|1,0,1]=4 6307 B14R1.19598 COC(=O)COc1c(cccc1Cl)F 7a_100000694953_100000747449 [0,2,0,0,0,0|1,0,1]=4 6308 B14R1.19598 COC(=O)COc1c(cccc1Cl)N 34a_100000754742_100000747449 [0,2,0,0,0,0|1,0,1]=4 6309 B14R1.19598 COC(=O)COc1c(cccc1F)C 34a_100011659162_100000747449 [0,2,0,0,0,0|1,0,1]=4 6310 B14R1.19598 COC(=O)COc1c(cccc1F)C 7a_100011659162_100000747449 [0,2,0,0,0,0|1,0,1]=4 6311 B14R1.19598 COC(=O)COc1c(cccc1F)F 34a_100000230165_100000747449 [0,2,0,0,0,0|1,0,1]=4 6312 B14R1.19598 COC(=O)COc1c(cccc1F)F 7a_100000230165_100000747449 [0,2,0,0,0,0|1,0,1]=4 6313 B14R1.19598 COC(=O)COc1c(cccc1F)N 34a_100011934987_100000747449 [0,2,0,0,0,0|1,0,1]=4 6314 B14R1.19598 COC(=O)COc1c(cccc1I)Br 34a_100010084509_100000747449 [0,2,0,0,0,0|1,0,1]=4 6315 B14R1.19598 COC(=O)COc1c(cccc1I)Br 7a_100010084509_100000747449 [0,2,0,0,0,0|1,0,1]=4 6316 B14R1.19598 COC(=O)COc1c(cccc1I)Cl 34a_100010202889_100000747449 [0,2,0,0,0,0|1,0,1]=4 6317 B14R1.19598 COC(=O)COc1c(cccc1I)Cl 7a_100010202889_100000747449 [0,2,0,0,0,0|1,0,1]=4 6318 B14R1.19598 COC(=O)COc1c(cccc1I)F 34a_100010186298_100000747449 [0,2,0,0,0,0|1,0,1]=4 6319 B14R1.19598 COC(=O)COc1c(cccc1I)F 7a_100010186298_100000747449 [0,2,0,0,0,0|1,0,1]=4 6320 B14R1.19598 COC(=O)COc1c(cccc1I)N 34a_100010084371_100000747449 [0,2,0,0,0,0|1,0,1]=4 6321 B14R1.19598 COC(=O)COc1c(cccc1N)C 34a_100000756359_100000747449 [0,2,0,0,0,0|1,0,1]=4 6322 B14R1.19598 COC(=O)COc1c(cccc1N)C 7a_100000756359_100000747449 [0,2,0,0,0,0|1,0,1]=4 6323 B14R1.19598 COC(=O)COc1c(cccc1N)N 34a_200016994477_100000747449 [0,2,0,0,0,0|1,0,1]=4 6324 B14R1.19598 COC(=O)CSc1c(cccc1Br)Br 62a_100000747449_100009994525 [0,2,0,0,0,0|1,0,1]=4 6325 B14R1.19598 COC(=O)CSc1c(cccc1Br)Br 62a_100009994525_100000747449 [0,2,0,0,0,0|1,0,1]=4 6326 B14R1.19598 COC(=O)CSc1c(cccc1Br)C 62a_100000747449_100010141302 [0,2,0,0,0,0|1,0,1]=4 6327 B14R1.19598 COC(=O)CSc1c(cccc1Br)C 62a_100010141302_100000747449 [0,2,0,0,0,0|1,0,1]=4 6328 B14R1.19598 COC(=O)CSc1c(cccc1Br)Cl 62a_100000747449_100010214488 [0,2,0,0,0,0|1,0,1]=4 6329 B14R1.19598 COC(=O)CSc1c(cccc1Br)Cl 62a_100010214488_100000747449 [0,2,0,0,0,0|1,0,1]=4 6330 B14R1.19598 COC(=O)CSc1c(cccc1Br)F 62a_100000747449_100011219512 [0,2,0,0,0,0|1,0,1]=4 6331 B14R1.19598 COC(=O)CSc1c(cccc1Br)F 62a_100011219512_100000747449 [0,2,0,0,0,0|1,0,1]=4 6332 B14R1.19598 COC(=O)CSc1c(cccc1Br)N 62a_100000747449_100020590159 [0,2,0,0,0,0|1,0,1]=4 6333 B14R1.19598 COC(=O)CSc1c(cccc1Br)N 62a_100020590159_100000747449 [0,2,0,0,0,0|1,0,1]=4 6334 B14R1.19598 COC(=O)CSc1c(cccc1Br)O 62a_100000747449_100010187912 [0,2,0,0,0,0|1,0,1]=4 6335 B14R1.19598 COC(=O)CSc1c(cccc1Br)O 62a_100010187912_100000747449 [0,2,0,0,0,0|1,0,1]=4 6336 B14R1.19598 COC(=O)CSc1c(cccc1C)C 62a_100000033847_100000747449 [0,2,0,0,0,0|1,0,1]=4 6337 B14R1.19598 COC(=O)CSc1c(cccc1C)C 62a_100000747449_100000033847 [0,2,0,0,0,0|1,0,1]=4 6338 B14R1.19598 COC(=O)CSc1c(cccc1Cl)C 62a_100000043165_100000747449 [0,2,0,0,0,0|1,0,1]=4 6339 B14R1.19598 COC(=O)CSc1c(cccc1Cl)C 62a_100000747449_100000043165 [0,2,0,0,0,0|1,0,1]=4 6340 B14R1.19598 COC(=O)CSc1c(cccc1Cl)Cl 62a_100000034237_100000747449 [0,2,0,0,0,0|1,0,1]=4 6341 B14R1.19598 COC(=O)CSc1c(cccc1Cl)Cl 62a_100000747449_100000034237 [0,2,0,0,0,0|1,0,1]=4 6342 B14R1.19598 COC(=O)CSc1c(cccc1Cl)F 62a_100000050007_100000747449 [0,2,0,0,0,0|1,0,1]=4 6343 B14R1.19598 COC(=O)CSc1c(cccc1Cl)F 62a_100000747449_100000050007 [0,2,0,0,0,0|1,0,1]=4 6344 B14R1.19598 COC(=O)CSc1c(cccc1Cl)N 62a_100000049713_100000747449 [0,2,0,0,0,0|1,0,1]=4 6345 B14R1.19598 COC(=O)CSc1c(cccc1Cl)N 62a_100000747449_100000049713 [0,2,0,0,0,0|1,0,1]=4 6346 B14R1.19598 COC(=O)CSc1c(cccc1Cl)O 62a_100000747449_100000050174 [0,2,0,0,0,0|1,0,1]=4 6347 B14R1.19598 COC(=O)CSc1c(cccc1F)C 62a_100000747449_100011218421 [0,2,0,0,0,0|1,0,1]=4 6348 B14R1.19598 COC(=O)CSc1c(cccc1F)C 62a_100011218421_100000747449 [0,2,0,0,0,0|1,0,1]=4 6349 B14R1.19598 COC(=O)CSc1c(cccc1F)F 62a_100000693133_100000747449 [0,2,0,0,0,0|1,0,1]=4 6350 B14R1.19598 COC(=O)CSc1c(cccc1F)F 62a_100000747449_100000693133 [0,2,0,0,0,0|1,0,1]=4 6351 B14R1.19598 COC(=O)CSc1c(cccc1F)N 62a_100000690935_100000747449 [0,2,0,0,0,0|1,0,1]=4 6352 B14R1.19598 COC(=O)CSc1c(cccc1F)N 62a_100000747449_100000690935 [0,2,0,0,0,0|1,0,1]=4 6353 B14R1.19598 COC(=O)CSc1c(cccc1F)O 62a_100000747449_100009820682 [0,2,0,0,0,0|1,0,1]=4 6354 B14R1.19598 COC(=O)CSc1c(cccc1F)O 62a_100009820682_100000747449 [0,2,0,0,0,0|1,0,1]=4 6355 B14R1.19598 COC(=O)CSc1c(cccc1N)C 62a_100000684715_100000747449 [0,2,0,0,0,0|1,0,1]=4 6356 B14R1.19598 COC(=O)CSc1c(cccc1N)C 62a_100000747449_100000684715 [0,2,0,0,0,0|1,0,1]=4 6357 B14R1.19598 COC(=O)CSc1c(cccc1O)C 62a_100000686692_100000747449 [0,2,0,0,0,0|1,0,1]=4 6358 B14R1.19598 COC(=O)CSc1c(cccc1O)C 62a_100000747449_100000686692 [0,2,0,0,0,0|1,0,1]=4 6359 B14R1.19598 COC(=O)CSc1c(cccc1O)N 62a_100000747449_100012183704 [0,2,0,0,0,0|1,0,1]=4 6360 B14R1.19598 COC(=O)CSc1c(cccc1O)N 62a_100012183704_100000747449 [0,2,0,0,0,0|1,0,1]=4 6361 B14R1.19598 COC(=O)CSc1c(cccc1O)O 62a_100000747449_100010205330 [0,2,0,0,0,0|1,0,1]=4 6362 B14R1.19598 O=C(C=Cc1c(cccc1Cl)Cl)CF 1458a_100000185082_100015361967 [0,2,0,0,0,0|2,0,0]=4 6363 B14R1.19598 O=C(C=Cc1c(cccc1Cl)F)CF 1458a_100016278423_100015361967 [0,2,0,0,0,0|2,0,0]=4 6364 B14R1.19598 O=C(C=Cc1c(cccc1F)F)CF 1458a_100000738813_100015361967 [0,2,0,0,0,0|2,0,0]=4 6365 B14R1.19598 O=C(C=Cc1c(cccc1I)F)CBr 6a_100010178011_100009888967 [0,2,0,0,0,0|2,0,0]=4 6366 B14R1.19598 O=C(C=Cc1c(cccc1I)F)CCl 6a_100010178011_100000086384 [0,2,0,0,0,0|2,0,0]=4 6367 B14R1.19598 O=C(C=Cc1c(cccc1I)F)CF 6a_100010178011_100000764096 [0,2,0,0,0,0|2,0,0]=4 6368 B12R1.77 C=Cc1ccccc1C(=O)CC 1458a_100011830265_100000210202 [0,0,1,1,0,0|1,0,0]=3 6369 B12R1.77 C=Cc1ccccc1C(=O)CF 1458a_100011830265_100015361967 [0,0,1,1,0,0|2,0,0]=4 6370 B12R1.77 C=Cc1ccccc1C(=O)NC 1626a_100102657272_100011830265 [0,0,1,1,0,0|1,0,0]=3 6371 B12R1.77 C=Cc1ccccc1C(=O)NC 271570a_100011290941_100000155073 [0,0,1,1,0,0|1,0,0]=3 6372 B12R1.77 C=Cc1ccccc1C(=O)NN 271570a_100011290941_100000190081 [0,0,1,1,0,0|2,0,0]=4 6373 B12R1.77 C=Cc1ccccc1C(=O)OC 271570a_100011290941_100000148710 [0,0,1,1,0,0|0,0,0]=2 6374 B12R1.77 C=Cc1cccnc1C(=O)OC 271570a_100011290941_100011935214 [0,0,1,1,0,0|1,0,0]=3 6375 B12R1.77 C=Cc1ccncc1C(=O)OC 271570a_100011290941_100020629055 [0,0,1,1,0,0|1,0,0]=3 6376 B12R1.77 C=Cc1cnccc1C(=O)OC 271570a_100011290941_100010008606 [0,0,1,1,0,0|1,0,0]=3 6377 B12R1.77 C=Cc1cncnc1C(=O)OC 271570a_100011290941_100012360100 [0,0,1,1,0,0|2,0,0]=4 6378 B12R1.77 C=Cc1ncccc1C(=O)NC 271570a_100011290941_100000159833 [0,0,1,1,0,0|2,0,0]=4 6379 B12R1.77 C=Cc1ncccc1C(=O)OC 271570a_100011290941_100000150852 [0,0,1,1,0,0|1,0,0]=3 6380 B12R1.77 C=Cc1nccnc1C(=O)OC 271570a_100011290941_100000688410 [0,0,1,1,0,0|2,0,0]=4 6381 B12R1.77 C=Cc1ncncc1C(=O)OC 271570a_100011290941_100000726419 [0,0,1,1,0,0|2,0,0]=4 6382 B12R1.77 COC(=O)c1ccccc1OC 7a_100000150335_200000210301 [0,0,1,1,0,0|1,0,1]=4 6383 B12R1.77 COC(=O)c1ccccc1O[13CH3] 7a_100000150335_200025704644 [0,0,1,1,0,0|1,0,1]=4 6384 B12R1.77 COC(=O)c1ccccc1SC 62a_100000148710_200000210301 [0,0,1,1,0,0|1,0,1]=4 6385 B12R1.77 COC(=O)c1ccccc1SC 62a_200000210301_100000148710 [0,0,1,1,0,0|1,0,1]=4 6386 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_100000148710_200025704644 [0,0,1,1,0,0|1,0,1]=4 6387 B12R1.77 COC(=O)c1ccccc1S[13CH3] 62a_200025704644_100000148710 [0,0,1,1,0,0|1,0,1]=4 6388 B12R1.291 C=C=Cc1cc[nH]c1C(=O)OC 271570a_100015277604_100102525103 [0,0,1,1,0,0|1,0,1]=4 6389 B12R1.291 C=C=Cc1ccoc1C(=O)OC 271570a_100015277604_100012676306 [0,0,1,1,0,0|1,0,1]=4 6390 B12R1.291 C=C=Cc1ccsc1C(=O)OC 271570a_100015277604_100000730364 [0,0,1,1,0,0|1,0,1]=4 6391 B12R1.291 C=C=Cc1cscc1C(=O)OC 271570a_100015277604_100012351140 [0,0,1,1,0,0|1,0,1]=4 6392 B12R1.291 C=C=Cc1occc1C(=O)OC 271570a_100015277604_100011935261 [0,0,1,1,0,0|1,0,1]=4 6393 B12R1.291 C=C=Cc1sccc1C(=O)OC 271570a_100015277604_100009822520 [0,0,1,1,0,0|1,0,1]=4 6394 B12R1.291 CC=Cc1cc[nH]c1C(=O)OC 271570a_100016259895_100102525103 [0,0,1,1,0,0|1,0,1]=4 6395 B12R1.291 CC=Cc1ccoc1C(=O)OC 271570a_100016259895_100012676306 [0,0,1,1,0,0|1,0,1]=4 6396 B12R1.291 CC=Cc1ccsc1C(=O)OC 271570a_100016259895_100000730364 [0,0,1,1,0,0|1,0,1]=4 6397 B12R1.291 CC=Cc1cscc1C(=O)OC 271570a_100016259895_100012351140 [0,0,1,1,0,0|1,0,1]=4 6398 B12R1.291 CC=Cc1occc1C(=O)OC 271570a_100016259895_100011935261 [0,0,1,1,0,0|1,0,1]=4 6399 B12R1.291 CC=Cc1sccc1C(=O)OC 271570a_100016259895_100009822520 [0,0,1,1,0,0|1,0,1]=4 6400 B12R1.354 COC(=O)c1cc(ccc1Br)O 271570a_203496583355_100012340073 [0,0,1,1,0,0|2,0,0]=4 6401 B12R1.354 COC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360116 [0,0,1,1,0,0|1,0,1]=4 6402 B12R1.354 COC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100012353682 [0,0,1,1,0,0|2,0,0]=4 6403 B12R1.354 COC(=O)c1cc(ccc1F)O 271570a_203496583355_100000154357 [0,0,1,1,0,0|2,0,0]=4 6404 B12R1.354 COC(=O)c1cc(ccc1N)O 271570a_203496583355_100000212070 [0,0,1,1,0,0|2,0,0]=4 6405 B12R1.354 COC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000148213 [0,0,1,1,0,0|2,0,0]=4 6406 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [0,0,1,1,0,0|1,0,1]=4 6407 B12R1.354 COC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294804 [0,0,1,1,0,0|2,0,0]=4 6408 B12R1.354 COC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205820 [0,0,1,1,0,0|2,0,0]=4 6409 B12R1.354 COC(=O)c1cc(ccc1O)N 271570a_203496583355_100000696289 [0,0,1,1,0,0|2,0,0]=4 6410 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100000149868 [0,0,1,1,0,0|2,0,0]=4 6411 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100010230369 [0,0,1,1,0,0|2,0,0]=4 6412 B12R1.1926 C=Cc1cc(sc1C(=O)OC)C 271570a_100011290941_100009817204 [0,0,1,1,0,0|1,0,1]=4 6413 B12R1.1926 C=Cc1sc(cc1C(=O)OC)C 271570a_100011290941_100009817063 [0,0,1,1,0,0|1,0,1]=4 6414 B12R1.78 C=Cc1cc(ccc1C=O)OC 271570a_100011290941_100000723261 [0,0,1,1,0,0|2,0,0]=4 6415 B12R1.78 C=Cc1ccc(cc1C=O)OC 271570a_100011290941_100000691568 [0,0,1,1,0,0|2,0,0]=4 6416 B12R1.78 C=Cc1ccc(nc1C=O)OC 271570a_100011290941_200010173843 [0,0,1,1,0,0|2,0,0]=4 6417 B12R1.78 C=Cc1nc(ccc1C=O)OC 271570a_100011290941_100012351648 [0,0,1,1,0,0|2,0,0]=4 6418 B12R1.179 C=C=Cc1cc(c[nH]1)C(=O)OC 271570a_100015277604_100009840242 [0,0,1,1,0,0|1,0,1]=4 6419 B12R1.179 C=C=Cc1cc(cs1)C(=O)OC 271570a_100015277604_100000692058 [0,0,1,1,0,0|1,0,1]=4 6420 B12R1.179 C=C=Cc1ccc([nH]1)C(=O)OC 271570a_100015277604_100000687774 [0,0,1,1,0,0|1,0,1]=4 6421 B12R1.179 C=C=Cc1ccc(o1)C(=O)OC 271570a_100015277604_100000148852 [0,0,1,1,0,0|1,0,1]=4 6422 B12R1.179 C=C=Cc1ccc(s1)C(=O)OC 271570a_100015277604_100000148107 [0,0,1,1,0,0|1,0,1]=4 6423 B12R1.179 C=C=Cc1coc(c1)C(=O)OC 271570a_100015277604_100009992624 [0,0,1,1,0,0|1,0,1]=4 6424 B12R1.179 C=C=Cc1csc(c1)C(=O)OC 271570a_100015277604_100009815473 [0,0,1,1,0,0|1,0,1]=4 6425 B12R1.179 CC=Cc1cc(c[nH]1)C(=O)OC 271570a_100016259895_100009840242 [0,0,1,1,0,0|1,0,1]=4 6426 B12R1.179 CC=Cc1cc(cs1)C(=O)OC 271570a_100016259895_100000692058 [0,0,1,1,0,0|1,0,1]=4 6427 B12R1.179 CC=Cc1ccc([nH]1)C(=O)OC 271570a_100016259895_100000687774 [0,0,1,1,0,0|1,0,1]=4 6428 B12R1.179 CC=Cc1ccc(o1)C(=O)OC 271570a_100016259895_100000148852 [0,0,1,1,0,0|1,0,1]=4 6429 B12R1.179 CC=Cc1ccc(s1)C(=O)OC 271570a_100016259895_100000148107 [0,0,1,1,0,0|1,0,1]=4 6430 B12R1.179 CC=Cc1coc(c1)C(=O)OC 271570a_100016259895_100009992624 [0,0,1,1,0,0|1,0,1]=4 6431 B12R1.179 CC=Cc1csc(c1)C(=O)OC 271570a_100016259895_100009815473 [0,0,1,1,0,0|1,0,1]=4 6432 B12R1.435 C=Cc1cc(ccn1)C(=O)NC 271570a_100011290941_100011196506 [0,0,1,1,0,0|2,0,0]=4 6433 B12R1.435 C=Cc1cc(ccn1)C(=O)OC 271570a_100011290941_100011934382 [0,0,1,1,0,0|1,0,0]=3 6434 B12R1.435 C=Cc1cc(cnn1)C(=O)OC 271570a_100011290941_100009862058 [0,0,1,1,0,0|2,0,0]=4 6435 B12R1.435 C=Cc1cc(ncn1)C(=O)OC 271570a_100011290941_100000051410 [0,0,1,1,0,0|2,0,0]=4 6436 B12R1.435 C=Cc1cccc(c1)C(=O)C#N 271570a_100011290941_100010169886 [0,0,1,1,0,0|2,0,0]=4 6437 B12R1.435 C=Cc1cccc(c1)C(=O)C=O 271570a_100011290941_100000726164 [0,0,1,1,0,0|2,0,0]=4 6438 B12R1.435 C=Cc1cccc(c1)C(=O)CC 1458a_100011215009_100000210202 [0,0,1,1,0,0|1,0,0]=3 6439 B12R1.435 C=Cc1cccc(c1)C(=O)CC 271570a_100011290941_100000211677 [0,0,1,1,0,0|1,0,0]=3 6440 B12R1.435 C=Cc1cccc(c1)C(=O)CF 1458a_100011215009_100015361967 [0,0,1,1,0,0|2,0,0]=4 6441 B12R1.435 C=Cc1cccc(c1)C(=O)CN 271570a_100011290941_100020587001 [0,0,1,1,0,0|2,0,0]=4 6442 B12R1.435 C=Cc1cccc(c1)C(=O)NC 11a_106832991635_100011215009 [0,0,1,1,0,0|1,0,0]=3 6443 B12R1.435 C=Cc1cccc(c1)C(=O)NC 1626a_100102657272_100011215009 [0,0,1,1,0,0|1,0,0]=3 6444 B12R1.435 C=Cc1cccc(c1)C(=O)NC 240690a_100102657272_100011215009 [0,0,1,1,0,0|1,0,0]=3 6445 B12R1.435 C=Cc1cccc(c1)C(=O)NC 271570a_100011290941_100000155082 [0,0,1,1,0,0|1,0,0]=3 6446 B12R1.435 C=Cc1cccc(c1)C(=O)NC 527a_100102657272_100011215009 [0,0,1,1,0,0|1,0,0]=3 6447 B12R1.435 C=Cc1cccc(c1)C(=O)NN 271570a_100011290941_100000189783 [0,0,1,1,0,0|2,0,0]=4 6448 B12R1.435 C=Cc1cccc(c1)C(=O)OC 271570a_100011290941_100000148679 [0,0,1,1,0,0|0,0,0]=2 6449 B12R1.435 C=Cc1cccc(n1)C(=O)CC 271570a_100011290941_100011004013 [0,0,1,1,0,0|2,0,0]=4 6450 B12R1.435 C=Cc1cccc(n1)C(=O)NC 271570a_100011290941_100000755456 [0,0,1,1,0,0|2,0,0]=4 6451 B12R1.435 C=Cc1cccc(n1)C(=O)OC 271570a_100011290941_100000708286 [0,0,1,1,0,0|1,0,0]=3 6452 B12R1.435 C=Cc1ccnc(c1)C(=O)CC 271570a_100011290941_200000094848 [0,0,1,1,0,0|2,0,0]=4 6453 B12R1.435 C=Cc1ccnc(c1)C(=O)NC 271570a_100011290941_100000204654 [0,0,1,1,0,0|2,0,0]=4 6454 B12R1.435 C=Cc1ccnc(c1)C(=O)OC 271570a_100011290941_100000693414 [0,0,1,1,0,0|1,0,0]=3 6455 B12R1.435 C=Cc1cncc(c1)C(=O)NC 271570a_100011290941_200000155086 [0,0,1,1,0,0|2,0,0]=4 6456 B12R1.435 C=Cc1cncc(c1)C(=O)OC 271570a_100011290941_100000148912 [0,0,1,1,0,0|1,0,0]=3 6457 B12R1.435 C=Cc1cncc(n1)C(=O)OC 271570a_100011290941_100000765340 [0,0,1,1,0,0|2,0,0]=4 6458 B12R1.435 C=Cc1nccc(n1)C(=O)OC 271570a_100011290941_100000070389 [0,0,1,1,0,0|2,0,0]=4 6459 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [0,0,1,1,0,0|1,0,1]=4 6460 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [0,0,1,1,0,0|1,0,1]=4 6461 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [0,0,1,1,0,0|1,0,1]=4 6462 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [0,0,1,1,0,0|1,0,1]=4 6463 B12R1.435 COC(=O)c1cccc(c1)SC 62a_100000148848_200000210301 [0,0,1,1,0,0|1,0,1]=4 6464 B12R1.435 COC(=O)c1cccc(c1)SC 62a_200000210301_100000148848 [0,0,1,1,0,0|1,0,1]=4 6465 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_100000148848_200025704644 [0,0,1,1,0,0|1,0,1]=4 6466 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000148848 [0,0,1,1,0,0|1,0,1]=4 6467 B12R1.608 C=Cc1cc(c(o1)C(=O)OC)C 271570a_100011290941_100000737583 [0,0,1,1,0,0|1,0,1]=4 6468 B12R1.608 C=Cc1cc(c(s1)C(=O)OC)F 271570a_100011290941_100010734428 [0,0,1,1,0,0|2,0,0]=4 6469 B12R1.608 C=Cc1cc(c(s1)C(=O)OC)N 271570a_100011290941_100010255210 [0,0,1,1,0,0|2,0,0]=4 6470 B12R1.608 C=Cc1cc(c(s1)C)C(=O)OC 271570a_100011290941_100010187159 [0,0,1,1,0,0|1,0,1]=4 6471 B12R1.608 C=Cc1cc(n(c1)C)C(=O)OC 271570a_100011290941_100000240937 [0,0,1,1,0,0|1,0,1]=4 6472 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [1,0,0,1,0,0|1,0,0]=3 6473 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [1,0,0,1,0,0|1,0,0]=3 6474 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [1,0,0,1,0,0|1,1,0]=4 6475 B12R2.1 CSc1csc2c1cccc2 62a_200000210301_100009813928 [1,0,0,1,0,0|1,1,0]=4 6476 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [1,0,0,1,0,0|1,0,0]=3 6477 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [1,0,0,1,0,0|1,0,0]=3 6478 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [1,0,0,1,0,0|1,1,0]=4 6479 B12R2.1 [13CH3]Sc1csc2c1cccc2 62a_200025704644_100009813928 [1,0,0,1,0,0|1,1,0]=4 6480 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [1,0,0,1,0,0|1,0,1]=4 6481 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [1,0,0,1,0,0|2,0,0]=4 6482 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [1,0,0,1,0,0|0,0,1]=3 6483 B12R2.2 C1=C(COC1)c2ccccn2 271570a_100009872500_100011216584 [1,0,0,1,0,0|1,0,1]=4 6484 B12R2.2 C1=C(COC1)c2cccnc2 271570a_100009872500_100000752921 [1,0,0,1,0,0|1,0,1]=4 6485 B12R2.2 C1=C(COC1)c2ccncc2 271570a_100009872500_100000035832 [1,0,0,1,0,0|1,0,1]=4 6486 B12R2.2 c1cc(ccn1)c2ccoc2 271570a_100000752145_100011215275 [1,0,0,1,0,0|1,0,1]=4 6487 B12R2.2 c1cc(ccn1)c2ccoc2 271570a_100011218838_100000035832 [1,0,0,1,0,0|1,0,1]=4 6488 B12R2.2 c1ccc(cc1)c2cc[nH]c2 271570a_100000102155_100000210277 [1,0,0,1,0,0|1,0,1]=4 6489 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100000062414_100000210277 [1,0,0,1,0,0|2,0,0]=4 6490 B12R2.2 c1ccc(cc1)c2cc[nH]n2 271570a_100011218836_100000062575 [1,0,0,1,0,0|2,0,0]=4 6491 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100000750936_100000210277 [1,0,0,1,0,0|2,0,0]=4 6492 B12R2.2 c1ccc(cc1)c2ccco2 271570a_100011218836_100009814098 [1,0,0,1,0,0|2,0,0]=4 6493 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100000742291_100000210277 [1,0,0,1,0,0|2,0,0]=4 6494 B12R2.2 c1ccc(cc1)c2cccs2 271570a_100011218836_100011215356 [1,0,0,1,0,0|2,0,0]=4 6495 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218836_100011215275 [1,0,0,1,0,0|0,0,1]=3 6496 B12R2.2 c1ccc(cc1)c2ccoc2 271570a_100011218838_100000210277 [1,0,0,1,0,0|0,0,1]=3 6497 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011218836_100000738268 [1,0,0,1,0,0|0,1,1]=4 6498 B12R2.2 c1ccc(cc1)c2ccsc2 271570a_100011934443_100000210277 [1,0,0,1,0,0|0,1,1]=4 6499 B12R2.2 c1ccc(cc1)c2ccsn2 271570a_100011218836_100009818082 [1,0,0,1,0,0|1,1,0]=4 6500 B12R2.2 c1ccc(cc1)c2cnoc2 271570a_100011218836_100009815712 [1,0,0,1,0,0|1,0,1]=4 6501 B12R2.2 c1ccc(nc1)c2ccoc2 271570a_100011218838_100011216584 [1,0,0,1,0,0|1,0,1]=4 6502 B12R2.2 c1ccc(nc1)c2ccoc2 271570a_100011264011_100011215275 [1,0,0,1,0,0|1,0,1]=4 6503 B12R2.2 c1cncc(c1)c2ccoc2 271570a_100000757648_100011215275 [1,0,0,1,0,0|1,0,1]=4 6504 B12R2.2 c1cncc(c1)c2ccoc2 271570a_100011218838_100000752921 [1,0,0,1,0,0|1,0,1]=4 6505 B12R2.1081 Oc1cccc2c1cccc2 271570a_203496583355_100000210605 [1,0,0,1,0,0|2,0,0]=4 6506 B12R2.2057 C(=CC1CC1)c2ccccc2 271570a_100102526188_100000210277 [1,0,0,1,0,0|1,0,1]=4 6507 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,1,0,0|2,0,0]=4 6508 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,1,0,0|1,0,0]=3 6509 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,1,0,0|1,0,0]=3 6510 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [1,0,0,1,0,0|2,0,0]=4 6511 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [1,0,0,1,0,0|2,0,0]=4 6512 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [1,0,0,1,0,0|2,0,0]=4 6513 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [1,0,0,1,0,0|2,0,0]=4 6514 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [1,0,0,1,0,0|2,0,0]=4 6515 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [1,0,0,1,0,0|2,0,0]=4 6516 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [1,0,0,1,0,0|2,0,0]=4 6517 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [1,0,0,1,0,0|2,0,0]=4 6518 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [1,0,0,1,0,0|2,0,0]=4 6519 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [1,0,0,1,0,0|2,0,0]=4 6520 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [1,0,0,1,0,0|0,0,2]=4 6521 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [1,0,0,1,0,0|0,0,2]=4 6522 B12R2.6 O=C1C=C(CC1)c2ccco2 271570a_100010737933_100009814098 [0,0,0,1,1,0|2,0,0]=4 6523 B12R2.6 O=C1C=C(CC1)c2cccs2 271570a_100010737933_100011215356 [0,0,0,1,1,0|2,0,0]=4 6524 B12R2.6 O=C1C=C(CC1)c2ccoc2 271570a_100010737933_100011215275 [0,0,0,1,1,0|2,0,0]=4 6525 B12R2.6 O=C1C=C(CC1)c2ccsc2 271570a_100010737933_100000738268 [0,0,0,1,1,0|2,0,0]=4 6526 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [0,0,0,1,1,0|2,0,0]=4 6527 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [0,0,0,1,1,0|2,0,0]=4 6528 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [0,0,0,1,1,0|2,0,0]=4 6529 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [0,0,0,1,1,0|2,0,0]=4 6530 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [0,0,0,1,1,0|2,0,0]=4 6531 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [0,0,0,1,1,0|2,0,0]=4 6532 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [0,0,0,1,1,0|2,0,0]=4 6533 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [0,0,0,1,1,0|2,0,0]=4 6534 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [0,0,0,1,1,0|2,0,0]=4 6535 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [0,0,0,1,1,0|2,0,0]=4 6536 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [0,0,0,1,1,0|2,0,0]=4 6537 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [0,0,0,1,1,0|2,0,0]=4 6538 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [0,0,0,1,1,0|2,0,0]=4 6539 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [0,0,0,1,1,0|2,0,0]=4 6540 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [0,0,0,1,1,0|2,0,0]=4 6541 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [0,0,0,1,1,0|2,0,0]=4 6542 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [0,0,0,1,1,0|1,1,0]=4 6543 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [0,0,0,1,1,0|0,1,1]=4 6544 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [0,0,0,1,1,0|0,2,0]=4 6545 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [0,0,0,1,1,0|1,1,0]=4 6546 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [0,0,0,1,1,0|0,1,1]=4 6547 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [0,0,0,1,1,0|0,2,0]=4 6548 B14R2.8 CCc1cc(cs1)c2ccccc2 271570a_100011218836_100009846239 [0,0,0,1,0,1|2,0,0]=4 6549 B14R2.8 CCc1ccc(s1)c2ccccc2 271570a_100011218836_100009844052 [0,0,0,1,0,1|1,1,0]=4 6550 B14R2.8 CCc1csc(c1)c2ccccc2 271570a_100009871738_100000210277 [0,0,0,1,0,1|2,0,0]=4 6551 B14R2.8 CNc1nc(cs1)c2ccccc2 27a_100102657272_100011830410 [0,0,0,1,0,1|2,0,0]=4 6552 B14R2.8 CNc1ncc(o1)c2ccccc2 27a_100102657272_100000729704 [0,0,0,1,0,1|1,0,1]=4 6553 B14R2.8 CNc1ncc(s1)c2ccccc2 27a_100102657272_100000685549 [0,0,0,1,0,1|1,1,0]=4 6554 B14R2.8 COc1csc(c1)c2ccccc2 271570a_100010068968_100000210277 [0,0,0,1,0,1|1,0,0]=3 6555 B14R2.8 COc1csc(c1)c2ccccn2 271570a_100010068968_100011216584 [0,0,0,1,0,1|2,0,0]=4 6556 B14R2.8 COc1csc(c1)c2cccnc2 271570a_100010068968_100000752921 [0,0,0,1,0,1|2,0,0]=4 6557 B14R2.8 COc1csc(c1)c2ccncc2 271570a_100010068968_100000035832 [0,0,0,1,0,1|2,0,0]=4 6558 B14R2.8 COc1nc(cs1)c2ccccc2 271570a_100011218836_100000727839 [0,0,0,1,0,1|1,0,0]=3 6559 B14R2.8 COc1nc(cs1)c2ccccn2 271570a_100011264011_100000727839 [0,0,0,1,0,1|2,0,0]=4 6560 B14R2.8 COc1nc(cs1)c2cccnc2 271570a_100000757648_100000727839 [0,0,0,1,0,1|2,0,0]=4 6561 B14R2.8 COc1nc(cs1)c2ccncc2 271570a_100000752145_100000727839 [0,0,0,1,0,1|2,0,0]=4 6562 B14R2.8 COc1ncc(s1)c2ccccc2 271570a_100011218836_100000729428 [0,0,0,1,0,1|0,1,0]=3 6563 B14R2.8 COc1ncc(s1)c2ccccn2 271570a_100011264011_100000729428 [0,0,0,1,0,1|1,1,0]=4 6564 B14R2.8 COc1ncc(s1)c2cccnc2 271570a_100000757648_100000729428 [0,0,0,1,0,1|1,1,0]=4 6565 B14R2.8 COc1ncc(s1)c2ccncc2 271570a_100000752145_100000729428 [0,0,0,1,0,1|1,1,0]=4 6566 B14R2.8 CSc1c[nH]c(n1)c2ccccc2 62a_200000210301_200010210587 [0,0,0,1,0,1|1,1,0]=4 6567 B14R2.8 CSc1c[nH]c(n1)c2ccccc2 62a_200010210587_200000210301 [0,0,0,1,0,1|1,1,0]=4 6568 B14R2.8 CSc1cc(cs1)c2ccccc2 271570a_100011218836_200010256830 [0,0,0,1,0,1|1,1,0]=4 6569 B14R2.8 CSc1ccc(s1)c2ccccc2 62a_100009814279_200000210301 [0,0,0,1,0,1|0,2,0]=4 6570 B14R2.8 CSc1ccc(s1)c2ccccc2 62a_200000210301_100009814279 [0,0,0,1,0,1|0,2,0]=4 6571 B14R2.8 CSc1cnc(o1)c2ccccc2 62a_200000210301_100009814072 [0,0,0,1,0,1|0,1,1]=4 6572 B14R2.8 CSc1cnc(s1)c2ccccc2 62a_100000726391_200000210301 [0,0,0,1,0,1|0,2,0]=4 6573 B14R2.8 CSc1cnc(s1)c2ccccc2 62a_200000210301_100000726391 [0,0,0,1,0,1|0,2,0]=4 6574 B14R2.8 CSc1coc(n1)c2ccccc2 62a_100010163736_200000210301 [0,0,0,1,0,1|1,1,0]=4 6575 B14R2.8 CSc1coc(n1)c2ccccc2 62a_200000210301_100010163736 [0,0,0,1,0,1|1,1,0]=4 6576 B14R2.8 CSc1nc(cs1)c2ccccc2 271570a_100011218836_100000732701 [0,0,0,1,0,1|1,1,0]=4 6577 B14R2.8 CSc1nc(cs1)c2ccccc2 62a_100011830410_200000210301 [0,0,0,1,0,1|1,1,0]=4 6578 B14R2.8 CSc1nc(cs1)c2ccccc2 62a_200000210301_100011830410 [0,0,0,1,0,1|1,1,0]=4 6579 B14R2.8 CSc1ncc(o1)c2ccccc2 62a_200000210301_100000729704 [0,0,0,1,0,1|0,1,1]=4 6580 B14R2.8 CSc1ncc(s1)c2ccccc2 62a_100000685549_200000210301 [0,0,0,1,0,1|0,2,0]=4 6581 B14R2.8 CSc1ncc(s1)c2ccccc2 62a_200000210301_100000685549 [0,0,0,1,0,1|0,2,0]=4 6582 B14R2.8 [13CH3]Sc1c[nH]c(n1)c2ccccc2 62a_200010210587_200025704644 [0,0,0,1,0,1|1,1,0]=4 6583 B14R2.8 [13CH3]Sc1c[nH]c(n1)c2ccccc2 62a_200025704644_200010210587 [0,0,0,1,0,1|1,1,0]=4 6584 B14R2.8 [13CH3]Sc1ccc(s1)c2ccccc2 62a_100009814279_200025704644 [0,0,0,1,0,1|0,2,0]=4 6585 B14R2.8 [13CH3]Sc1ccc(s1)c2ccccc2 62a_200025704644_100009814279 [0,0,0,1,0,1|0,2,0]=4 6586 B14R2.8 [13CH3]Sc1cnc(o1)c2ccccc2 62a_200025704644_100009814072 [0,0,0,1,0,1|0,1,1]=4 6587 B14R2.8 [13CH3]Sc1cnc(s1)c2ccccc2 62a_100000726391_200025704644 [0,0,0,1,0,1|0,2,0]=4 6588 B14R2.8 [13CH3]Sc1cnc(s1)c2ccccc2 62a_200025704644_100000726391 [0,0,0,1,0,1|0,2,0]=4 6589 B14R2.8 [13CH3]Sc1coc(n1)c2ccccc2 62a_100010163736_200025704644 [0,0,0,1,0,1|1,1,0]=4 6590 B14R2.8 [13CH3]Sc1coc(n1)c2ccccc2 62a_200025704644_100010163736 [0,0,0,1,0,1|1,1,0]=4 6591 B14R2.8 [13CH3]Sc1nc(cs1)c2ccccc2 62a_100011830410_200025704644 [0,0,0,1,0,1|1,1,0]=4 6592 B14R2.8 [13CH3]Sc1nc(cs1)c2ccccc2 62a_200025704644_100011830410 [0,0,0,1,0,1|1,1,0]=4 6593 B14R2.8 [13CH3]Sc1ncc(o1)c2ccccc2 62a_200025704644_100000729704 [0,0,0,1,0,1|0,1,1]=4 6594 B14R2.8 [13CH3]Sc1ncc(s1)c2ccccc2 62a_100000685549_200025704644 [0,0,0,1,0,1|0,2,0]=4 6595 B14R2.8 [13CH3]Sc1ncc(s1)c2ccccc2 62a_200025704644_100000685549 [0,0,0,1,0,1|0,2,0]=4 6596 B14R2.19 Cc1cc(no1)Sc2ccccc2 62a_100000716708_100000041952 [0,0,0,1,0,1|2,0,0]=4 6597 B14R2.19 Cc1cc(no1)Sc2ccccc2 62a_100000719477_100000716708 [0,0,0,1,0,1|2,0,0]=4 6598 B14R2.19 O=C1OCC(O1)Nc2ccccc2 34a_100000106764_100000032252 [0,0,0,1,0,1|1,0,1]=4 6599 B14R2.19 O=C1OCC(O1)Oc2ccccc2 34a_100000210340_100000032252 [0,0,0,1,0,1|1,0,1]=4 6600 B14R2.19 O=C1OCC(O1)Sc2ccccc2 62a_100000719477_100000032252 [0,0,0,1,0,1|1,0,1]=4 6601 B14R2.68 O=c1ccc(c[nH]1)c2ccccc2 271570a_100011218836_100000212171 [0,0,0,1,0,1|1,0,1]=4 6602 B14R2.68 O=c1ccc(n[nH]1)c2ccccc2 271570a_100011218836_100009820020 [0,0,0,1,0,1|2,0,0]=4 6603 B14R2.68 O=c1ncc(c[nH]1)c2ccccc2 271570a_100000079150_100000210277 [0,0,0,1,0,1|1,0,1]=4 6604 B14R2.68 O=c1ncc(c[nH]1)c2ccccc2 271570a_100011218836_102495366499 [0,0,0,1,0,1|1,0,1]=4 6605 B14R2.95 CCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210202 [0,0,0,1,0,1|1,0,0]=3 6606 B14R2.95 CCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210202 [0,0,0,1,0,1|1,0,0]=3 6607 B14R2.95 CNC(=O)C1=CCc2c1cccc2 11a_106832991635_100000037392 [0,0,0,1,0,1|1,0,0]=3 6608 B14R2.95 CNC(=O)C1=CCc2c1cccc2 1626a_100102657272_100000037392 [0,0,0,1,0,1|1,0,0]=3 6609 B14R2.95 CNC(=O)C1=CCc2c1cccc2 240690a_100102657272_100000037392 [0,0,0,1,0,1|1,0,0]=3 6610 B14R2.95 CNC(=O)C1C=Cc2c1cccc2 1626a_100102657272_200009832160 [0,0,0,1,0,1|1,0,0]=3 6611 B14R2.95 CNC(=O)C1C=Cc2c1cccc2 240690a_100102657272_200009832160 [0,0,0,1,0,1|1,0,0]=3 6612 B14R2.95 CNC(=O)C1C=Cc2c1cccc2 527a_100102657272_200009832160 [0,0,0,1,0,1|1,0,0]=3 6613 B14R2.95 O=C(CF)C1=CCc2c1cccc2 1458a_100000037392_100015361967 [0,0,0,1,0,1|2,0,0]=4 6614 B14R2.95 O=C(CF)C1C=Cc2c1cccc2 1458a_200009832160_100015361967 [0,0,0,1,0,1|2,0,0]=4 6615 B14R2.4514 Cc1cnc(n1C)c2ccccc2 271570a_100011218836_100009816807 [0,0,0,1,0,1|2,0,0]=4 6616 B14R2.4514 Cc1ncc(n1C)c2ccccc2 271570a_100011218836_100000762843 [0,0,0,1,0,1|2,0,0]=4 6617 B14R2.4514 Cc1scc(c1C)c2ccccc2 271570a_100011218836_100009820295 [0,0,0,1,0,1|2,0,0]=4 6618 B14R2.4514 Cn1c(cnc1Cl)c2ccccc2 271570a_100000070314_100000210277 [0,0,0,1,0,1|2,0,0]=4 6619 B14R2.21 O=C1C=C(CCC1)c2ccccc2 271570a_100000723966_100000210277 [0,1,0,1,0,0|1,0,0]=3 6620 B14R2.21 O=C1C=C(CCC1)c2ccccn2 271570a_100000723966_100011216584 [0,1,0,1,0,0|2,0,0]=4 6621 B14R2.21 O=C1C=C(CCC1)c2cccnc2 271570a_100000723966_100000752921 [0,1,0,1,0,0|2,0,0]=4 6622 B14R2.21 O=C1C=C(CCC1)c2ccncc2 271570a_100000723966_100000035832 [0,1,0,1,0,0|2,0,0]=4 6623 B14R2.21 O=c1cc(cc[nH]1)c2ccccc2 271570a_100011218836_100009816521 [0,1,0,1,0,0|1,0,1]=4 6624 B14R2.21 O=c1cc(cn[nH]1)c2ccccc2 271570a_100011218836_100010197405 [0,1,0,1,0,0|1,0,1]=4 6625 B14R2.260 Cc1cc(nn1C)c2ccccc2 271570a_100011218836_100012001299 [0,1,0,1,0,0|2,0,0]=4 6626 B14R2.260 Cc1cc(sc1C)c2ccccc2 271570a_100011218836_100009850898 [0,1,0,1,0,0|2,0,0]=4 6627 B14R2.260 Cn1nc(cc1N)c2ccccc2 271570a_100011218836_100000734454 [0,1,0,1,0,0|2,0,0]=4 6628 B14R2.335 O=C1CCC1C(=O)c2ccccc2 1458a_100000185807_100009892977 [0,1,0,1,0,0|1,0,1]=4 6629 B14R2.1019 CNc1cc(c2ccccc2c1)Br 34a_100010089974_200000210301 [0,1,0,1,0,0|2,0,0]=4 6630 B14R2.1019 CNc1cc(c2ccccc2c1)Br 7a_100010089974_200000210301 [0,1,0,1,0,0|2,0,0]=4 6631 B14R2.1019 CNc1cc(c2ccccc2n1)C 27a_100102657272_100000184993 [0,1,0,1,0,0|2,0,0]=4 6632 B14R2.1019 COc1cc(=O)n2ccccc2n1 34a_100000751361_200000210301 [0,1,0,1,0,0|2,0,0]=4 6633 B14R2.1019 COc1cc(c2ccccc2c1)Br 34a_100010001680_200000210301 [0,1,0,1,0,0|1,0,0]=3 6634 B14R2.1019 COc1cc(c2ccccc2c1)Br 7a_100010001680_200000210301 [0,1,0,1,0,0|1,0,0]=3 6635 B14R2.1019 COc1cc(c2ccccc2c1)O 271570a_203496583355_100010152498 [0,1,0,1,0,0|1,0,0]=3 6636 B14R2.1019 COc1cc(c2ccccc2n1)O 271570a_203496583355_100009887561 [0,1,0,1,0,0|1,0,0]=3 6637 B14R2.1019 COc1cc(c2cccnc2c1)O 271570a_203496583355_100010248855 [0,1,0,1,0,0|2,0,0]=4 6638 B14R2.1019 COc1cc(c2cnccc2c1)Br 34a_100011009069_200000210301 [0,1,0,1,0,0|2,0,0]=4 6639 B14R2.1019 COc1cc(c2cnccc2c1)Br 7a_100011009069_200000210301 [0,1,0,1,0,0|2,0,0]=4 6640 B14R2.1019 COc1cc(c2ncccc2c1)Cl 34a_100000097192_200000210301 [0,1,0,1,0,0|2,0,0]=4 6641 B14R2.1019 COc1cc(c2ncccc2c1)Cl 7a_100000097192_200000210301 [0,1,0,1,0,0|2,0,0]=4 6642 B14R2.1019 COc1cc(c2ncccc2c1)F 34a_100009888031_200000210301 [0,1,0,1,0,0|2,0,0]=4 6643 B14R2.1019 COc1cc(c2ncccc2c1)F 7a_100009888031_200000210301 [0,1,0,1,0,0|2,0,0]=4 6644 B14R2.1019 COc1cc(c2ncccc2c1)N 34a_100000083691_200000210301 [0,1,0,1,0,0|2,0,0]=4 6645 B14R2.1019 COc1cc(c2ncccc2c1)O 271570a_203496583355_200010235761 [0,1,0,1,0,0|2,0,0]=4 6646 B14R2.1019 CSc1cc(=O)c2ccccc2[nH]1 62a_200000210301_100000090176 [0,1,0,1,0,0|1,1,0]=4 6647 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_100010171453_200000210301 [0,1,0,1,0,0|1,1,0]=4 6648 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_200000210301_100010171453 [0,1,0,1,0,0|1,1,0]=4 6649 B14R2.1019 CSc1cc(c2ccccc2c1)O 62a_200000210301_100010089979 [0,1,0,1,0,0|1,1,0]=4 6650 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_100012354972_200000210301 [0,1,0,1,0,0|1,1,0]=4 6651 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_200000210301_100000184993 [0,1,0,1,0,0|1,1,0]=4 6652 B14R2.1019 CSc1cc(c2ccccc2n1)N 62a_100010197925_200000210301 [0,1,0,1,0,0|1,1,0]=4 6653 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_100012354972_200025704644 [0,1,0,1,0,0|1,1,0]=4 6654 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_200025704644_100000184993 [0,1,0,1,0,0|1,1,0]=4 6655 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 34a_100010089974_200025704644 [0,1,0,1,0,0|2,0,0]=4 6656 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 7a_100010089974_200025704644 [0,1,0,1,0,0|2,0,0]=4 6657 B14R2.1019 [13CH3]Oc1cc(=O)n2ccccc2n1 34a_100000751361_200025704644 [0,1,0,1,0,0|2,0,0]=4 6658 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 34a_100010001680_200025704644 [0,1,0,1,0,0|1,0,0]=3 6659 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 7a_100010001680_200025704644 [0,1,0,1,0,0|1,0,0]=3 6660 B14R2.1019 [13CH3]Oc1cc(c2cnccc2c1)Br 34a_100011009069_200025704644 [0,1,0,1,0,0|2,0,0]=4 6661 B14R2.1019 [13CH3]Oc1cc(c2cnccc2c1)Br 7a_100011009069_200025704644 [0,1,0,1,0,0|2,0,0]=4 6662 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)Cl 34a_100000097192_200025704644 [0,1,0,1,0,0|2,0,0]=4 6663 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)Cl 7a_100000097192_200025704644 [0,1,0,1,0,0|2,0,0]=4 6664 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)F 34a_100009888031_200025704644 [0,1,0,1,0,0|2,0,0]=4 6665 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)F 7a_100009888031_200025704644 [0,1,0,1,0,0|2,0,0]=4 6666 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)N 34a_100000083691_200025704644 [0,1,0,1,0,0|2,0,0]=4 6667 B14R2.1019 [13CH3]Sc1cc(=O)c2ccccc2[nH]1 62a_200025704644_100000090176 [0,1,0,1,0,0|1,1,0]=4 6668 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_100010171453_200025704644 [0,1,0,1,0,0|1,1,0]=4 6669 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_200025704644_100010171453 [0,1,0,1,0,0|1,1,0]=4 6670 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)O 62a_200025704644_100010089979 [0,1,0,1,0,0|1,1,0]=4 6671 B14R2.1019 [13CH3]Sc1cc(c2ccccc2n1)N 62a_100010197925_200025704644 [0,1,0,1,0,0|1,1,0]=4 6672 B14R2.7724 Cn1c(=O)cc(c2c1cccc2)O 271570a_203496583355_100000041018 [0,1,0,1,0,0|1,0,0]=3 6673 B14R2.20 Cc1ccc(cc1)C2=CC(=O)CC2 271570a_100010737933_100000186775 [0,1,0,1,0,0|1,0,0]=3 6674 B14R2.20 Cc1ccc(cn1)C2=CC(=O)CC2 271570a_100010737933_100000751577 [0,1,0,1,0,0|2,0,0]=4 6675 B14R2.20 Cc1ccc(nc1)C2=CC(=O)CC2 271570a_100010737933_100000754016 [0,1,0,1,0,0|2,0,0]=4 6676 B14R2.20 Nc1cc(no1)c2ccc(cc2)O 271570a_203496583355_100000238412 [0,1,0,1,0,0|2,0,0]=4 6677 B14R2.20 Nc1ccc(cc1)C2=CC(=O)CC2 271570a_100010737933_100000185761 [0,1,0,1,0,0|1,0,0]=3 6678 B14R2.20 Nc1ccc(cn1)C2=CC(=O)CC2 271570a_100010737933_100000187370 [0,1,0,1,0,0|2,0,0]=4 6679 B14R2.20 Nc1ccc(nc1)C2=CC(=O)CC2 271570a_100010737933_100000744251 [0,1,0,1,0,0|2,0,0]=4 6680 B14R2.20 O=C1C=C(CC1)c2cc[n+](cc2)[O-] 271570a_100010737933_100000039755 [0,1,0,1,0,0|2,0,0]=4 6681 B14R2.20 O=C1C=C(CC1)c2ccc(=O)[nH]c2 271570a_100010737933_100000212171 [0,1,0,1,0,0|2,0,0]=4 6682 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)Br 271570a_100010737933_100000752885 [0,1,0,1,0,0|1,0,0]=3 6683 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)Cl 271570a_100010737933_100000755918 [0,1,0,1,0,0|1,0,0]=3 6684 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)F 271570a_100010737933_100000211213 [0,1,0,1,0,0|1,0,0]=3 6685 B14R2.20 O=C1C=C(CC1)c2ccc(cc2)O 271570a_100010737933_100000185759 [0,1,0,1,0,0|1,0,0]=3 6686 B14R2.20 O=C1C=C(CC1)c2ccc(cn2)Br 271570a_100010737933_100000686858 [0,1,0,1,0,0|2,0,0]=4 6687 B14R2.20 O=C1C=C(CC1)c2ccc(cn2)Cl 271570a_100010737933_100011356976 [0,1,0,1,0,0|2,0,0]=4 6688 B14R2.20 O=C1C=C(CC1)c2ccc(cn2)F 271570a_100010737933_100000744514 [0,1,0,1,0,0|2,0,0]=4 6689 B14R2.20 O=C1C=C(CC1)c2ccc(cn2)O 271570a_100010737933_100000685995 [0,1,0,1,0,0|2,0,0]=4 6690 B14R2.20 O=C1C=C(CC1)c2ccc(nc2)Br 271570a_100010737933_100009814638 [0,1,0,1,0,0|2,0,0]=4 6691 B14R2.20 O=C1C=C(CC1)c2ccc(nc2)Cl 271570a_100010737933_100000034144 [0,1,0,1,0,0|2,0,0]=4 6692 B14R2.20 O=C1C=C(CC1)c2ccc(nc2)F 271570a_100010737933_100000748661 [0,1,0,1,0,0|2,0,0]=4 6693 B14R2.20 O=c1[nH]c(no1)c2ccc(cc2)O 271570a_203496583355_100011388237 [0,1,0,1,0,0|2,0,0]=4 6694 B14R2.134 CNc1ccc2ccc(cc2c1)Br 34a_100010090036_200000210301 [0,1,0,1,0,0|2,0,0]=4 6695 B14R2.134 CNc1ccc2ccc(cc2c1)Br 7a_100010090036_200000210301 [0,1,0,1,0,0|2,0,0]=4 6696 B14R2.134 CNc1ccc2ccc(cc2c1)O 34a_100015378740_200000210301 [0,1,0,1,0,0|2,0,0]=4 6697 B14R2.134 CNc1ccc2ccc(cc2c1)O 7a_100015378740_200000210301 [0,1,0,1,0,0|2,0,0]=4 6698 B14R2.134 COc1cc2cc(ccc2cn1)F 34a_200000101709_200000210301 [0,1,0,1,0,0|2,0,0]=4 6699 B14R2.134 COc1ccc2ccc(=O)oc2c1 34a_100000185914_200000210301 [0,1,0,1,0,0|2,0,0]=4 6700 B14R2.134 COc1ccc2ccc(=O)oc2c1 7a_100000185914_200000210301 [0,1,0,1,0,0|2,0,0]=4 6701 B14R2.134 COc1ccc2ccc(cc2c1)Br 34a_100009816537_200000210301 [0,1,0,1,0,0|1,0,0]=3 6702 B14R2.134 COc1ccc2ccc(cc2c1)Br 7a_100009816537_200000210301 [0,1,0,1,0,0|1,0,0]=3 6703 B14R2.134 COc1ccc2ccc(cc2c1)C 34a_100000091598_200000210301 [0,1,0,1,0,0|1,0,0]=3 6704 B14R2.134 COc1ccc2ccc(cc2c1)C 7a_100000091598_200000210301 [0,1,0,1,0,0|1,0,0]=3 6705 B14R2.134 COc1ccc2ccc(cc2c1)N 34a_100015378740_200000210301 [0,1,0,1,0,0|1,0,0]=3 6706 B14R2.134 COc1ccc2ccc(cc2c1)N 7a_100015378740_200000210301 [0,1,0,1,0,0|1,0,0]=3 6707 B14R2.134 COc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090027 [0,1,0,1,0,0|1,0,0]=3 6708 B14R2.134 COc1ccc2ccc(cc2n1)O 271570a_203496583355_100010248626 [0,1,0,1,0,0|1,0,0]=3 6709 B14R2.134 COc1ccc2ccc(nc2c1)C 34a_100009867695_200000210301 [0,1,0,1,0,0|2,0,0]=4 6710 B14R2.134 COc1ccc2ccc(nc2c1)C 7a_100009867695_200000210301 [0,1,0,1,0,0|2,0,0]=4 6711 B14R2.134 COc1ccc2ccc(nc2c1)Cl 34a_100000079174_200000210301 [0,1,0,1,0,0|2,0,0]=4 6712 B14R2.134 COc1ccc2ccc(nc2c1)Cl 7a_100000079174_200000210301 [0,1,0,1,0,0|2,0,0]=4 6713 B14R2.134 COc1ccc2ccc(nc2c1)O 271570a_203496583355_100009877240 [0,1,0,1,0,0|2,0,0]=4 6714 B14R2.134 COc1ccc2ncc(cc2c1)Br 34a_100010137430_200000210301 [0,1,0,1,0,0|2,0,0]=4 6715 B14R2.134 COc1ccc2ncc(cc2c1)Br 7a_100010137430_200000210301 [0,1,0,1,0,0|2,0,0]=4 6716 B14R2.134 COc1ccc2ncc(cc2c1)Cl 34a_100009869629_200000210301 [0,1,0,1,0,0|2,0,0]=4 6717 B14R2.134 COc1ccc2ncc(cc2c1)Cl 7a_100009869629_200000210301 [0,1,0,1,0,0|2,0,0]=4 6718 B14R2.134 COc1ccc2ncc(cc2c1)F 34a_100009845357_200000210301 [0,1,0,1,0,0|2,0,0]=4 6719 B14R2.134 COc1ccc2ncc(cc2c1)F 7a_100009845357_200000210301 [0,1,0,1,0,0|2,0,0]=4 6720 B14R2.134 COc1ccc2ncc(cc2c1)O 271570a_203496583355_100000700671 [0,1,0,1,0,0|2,0,0]=4 6721 B14R2.134 COc1cnc2ccc(cc2c1)Br 34a_100000703654_200000210301 [0,1,0,1,0,0|2,0,0]=4 6722 B14R2.134 COc1cnc2ccc(cc2c1)Br 7a_100000703654_200000210301 [0,1,0,1,0,0|2,0,0]=4 6723 B14R2.134 COc1cnc2ccc(cc2n1)O 271570a_203496583355_100010293655 [0,1,0,1,0,0|2,0,0]=4 6724 B14R2.134 CSc1ccc2ccc(cc2c1)N 62a_100010090036_200000210301 [0,1,0,1,0,0|1,1,0]=4 6725 B14R2.134 CSc1ccc2ccc(cc2c1)N 62a_200000210301_100010090036 [0,1,0,1,0,0|1,1,0]=4 6726 B14R2.134 CSc1ccc2ccc(cc2c1)O 62a_200000210301_100009816537 [0,1,0,1,0,0|1,1,0]=4 6727 B14R2.134 CSc1ccc2ccc(cc2n1)O 62a_200000210301_100000079174 [0,1,0,1,0,0|1,1,0]=4 6728 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 34a_100000091598_200025704644 [0,1,0,1,0,0|1,0,0]=3 6729 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 7a_100000091598_200025704644 [0,1,0,1,0,0|1,0,0]=3 6730 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 34a_100009867695_200025704644 [0,1,0,1,0,0|2,0,0]=4 6731 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 7a_100009867695_200025704644 [0,1,0,1,0,0|2,0,0]=4 6732 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)Br 34a_100010090036_200025704644 [0,1,0,1,0,0|2,0,0]=4 6733 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)Br 7a_100010090036_200025704644 [0,1,0,1,0,0|2,0,0]=4 6734 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)O 34a_100015378740_200025704644 [0,1,0,1,0,0|2,0,0]=4 6735 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)O 7a_100015378740_200025704644 [0,1,0,1,0,0|2,0,0]=4 6736 B14R2.134 [13CH3]Oc1cc2cc(ccc2cn1)F 34a_200000101709_200025704644 [0,1,0,1,0,0|2,0,0]=4 6737 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 34a_100000185914_200025704644 [0,1,0,1,0,0|2,0,0]=4 6738 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 7a_100000185914_200025704644 [0,1,0,1,0,0|2,0,0]=4 6739 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)Br 34a_100009816537_200025704644 [0,1,0,1,0,0|1,0,0]=3 6740 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)Br 7a_100009816537_200025704644 [0,1,0,1,0,0|1,0,0]=3 6741 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)N 34a_100015378740_200025704644 [0,1,0,1,0,0|1,0,0]=3 6742 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)N 7a_100015378740_200025704644 [0,1,0,1,0,0|1,0,0]=3 6743 B14R2.134 [13CH3]Oc1ccc2ccc(nc2c1)Cl 34a_100000079174_200025704644 [0,1,0,1,0,0|2,0,0]=4 6744 B14R2.134 [13CH3]Oc1ccc2ccc(nc2c1)Cl 7a_100000079174_200025704644 [0,1,0,1,0,0|2,0,0]=4 6745 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Br 34a_100010137430_200025704644 [0,1,0,1,0,0|2,0,0]=4 6746 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Br 7a_100010137430_200025704644 [0,1,0,1,0,0|2,0,0]=4 6747 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Cl 34a_100009869629_200025704644 [0,1,0,1,0,0|2,0,0]=4 6748 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Cl 7a_100009869629_200025704644 [0,1,0,1,0,0|2,0,0]=4 6749 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)F 34a_100009845357_200025704644 [0,1,0,1,0,0|2,0,0]=4 6750 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)F 7a_100009845357_200025704644 [0,1,0,1,0,0|2,0,0]=4 6751 B14R2.134 [13CH3]Oc1cnc2ccc(cc2c1)Br 34a_100000703654_200025704644 [0,1,0,1,0,0|2,0,0]=4 6752 B14R2.134 [13CH3]Oc1cnc2ccc(cc2c1)Br 7a_100000703654_200025704644 [0,1,0,1,0,0|2,0,0]=4 6753 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)N 62a_100010090036_200025704644 [0,1,0,1,0,0|1,1,0]=4 6754 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)N 62a_200025704644_100010090036 [0,1,0,1,0,0|1,1,0]=4 6755 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)O 62a_200025704644_100009816537 [0,1,0,1,0,0|1,1,0]=4 6756 B14R2.134 [13CH3]Sc1ccc2ccc(cc2n1)O 62a_200025704644_100000079174 [0,1,0,1,0,0|1,1,0]=4 6757 B14R2.4513 Cn1c(=O)ccc2c1cc(cc2)O 271570a_203496583355_200010167779 [0,1,0,1,0,0|1,0,0]=3 6758 B14R2.4513 Cn1c(=O)cnc2c1cc(cc2)O 271570a_203496583355_100010221214 [0,1,0,1,0,0|2,0,0]=4 6759 B14R2.22 C[n+]1cccc(c1)C2=CC(=O)CC2 271570a_100010737933_100009996589 [0,1,0,1,0,0|2,0,0]=4 6760 B14R2.22 Cc1cc(ccn1)C2=CC(=O)CC2 271570a_100010737933_100000758586 [0,1,0,1,0,0|2,0,0]=4 6761 B14R2.22 Cc1cccc(c1)C2=CC(=O)CC2 271570a_100010737933_100011215228 [0,1,0,1,0,0|1,0,0]=3 6762 B14R2.22 Cc1cccc(n1)C2=CC(=O)CC2 271570a_100010737933_100000742759 [0,1,0,1,0,0|2,0,0]=4 6763 B14R2.22 Cc1ccnc(c1)C2=CC(=O)CC2 271570a_100010737933_100000750283 [0,1,0,1,0,0|2,0,0]=4 6764 B14R2.22 Cc1cncc(c1)C2=CC(=O)CC2 271570a_100010737933_100000760492 [0,1,0,1,0,0|2,0,0]=4 6765 B14R2.22 Nc1cc(ccn1)C2=CC(=O)CC2 271570a_100010737933_100000744379 [0,1,0,1,0,0|2,0,0]=4 6766 B14R2.22 Nc1cc(no1)c2cccc(c2)O 271570a_203496583355_100000747011 [0,1,0,1,0,0|2,0,0]=4 6767 B14R2.22 Nc1cccc(c1)C2=CC(=O)CC2 271570a_100010737933_100000210019 [0,1,0,1,0,0|1,0,0]=3 6768 B14R2.22 Nc1cccc(n1)C2=CC(=O)CC2 271570a_100010737933_100000740741 [0,1,0,1,0,0|2,0,0]=4 6769 B14R2.22 Nc1ccnc(c1)C2=CC(=O)CC2 271570a_100010737933_100009814236 [0,1,0,1,0,0|2,0,0]=4 6770 B14R2.22 Nc1cncc(c1)C2=CC(=O)CC2 271570a_100010737933_100000687067 [0,1,0,1,0,0|2,0,0]=4 6771 B14R2.22 O=C1C=C(CC1)c2cc(ccn2)Cl 271570a_100010737933_100010167805 [0,1,0,1,0,0|2,0,0]=4 6772 B14R2.22 O=C1C=C(CC1)c2cc(ccn2)F 271570a_100010737933_100009817058 [0,1,0,1,0,0|2,0,0]=4 6773 B14R2.22 O=C1C=C(CC1)c2cc(ccn2)O 271570a_100010737933_100000762945 [0,1,0,1,0,0|2,0,0]=4 6774 B14R2.22 O=C1C=C(CC1)c2cc[nH]c(=O)c2 271570a_100010737933_100009816521 [0,1,0,1,0,0|2,0,0]=4 6775 B14R2.22 O=C1C=C(CC1)c2ccc[n+](c2)[O-] 271570a_100010737933_100009815978 [0,1,0,1,0,0|2,0,0]=4 6776 B14R2.22 O=C1C=C(CC1)c2cccc(=O)[nH]2 271570a_100010737933_100000761760 [0,1,0,1,0,0|2,0,0]=4 6777 B14R2.22 O=C1C=C(CC1)c2cccc(c2)Br 271570a_100010737933_100000691529 [0,1,0,1,0,0|1,0,0]=3 6778 B14R2.22 O=C1C=C(CC1)c2cccc(c2)Cl 271570a_100010737933_100000699651 [0,1,0,1,0,0|1,0,0]=3 6779 B14R2.22 O=C1C=C(CC1)c2cccc(c2)F 271570a_100010737933_100000685547 [0,1,0,1,0,0|1,0,0]=3 6780 B14R2.22 O=C1C=C(CC1)c2cccc(c2)O 271570a_100010737933_100000211634 [0,1,0,1,0,0|1,0,0]=3 6781 B14R2.22 O=C1C=C(CC1)c2cccc(c2)[S] 271570a_100010737933_114929384022 [0,1,0,1,0,0|1,0,0]=3 6782 B14R2.22 O=C1C=C(CC1)c2cccc(n2)Br 271570a_100010737933_100000684672 [0,1,0,1,0,0|2,0,0]=4 6783 B14R2.22 O=C1C=C(CC1)c2cccc(n2)F 271570a_100010737933_100009815982 [0,1,0,1,0,0|2,0,0]=4 6784 B14R2.22 O=C1C=C(CC1)c2ccnc(c2)Br 271570a_100010737933_100009814637 [0,1,0,1,0,0|2,0,0]=4 6785 B14R2.22 O=C1C=C(CC1)c2ccnc(c2)Cl 271570a_100010737933_100000035001 [0,1,0,1,0,0|2,0,0]=4 6786 B14R2.22 O=C1C=C(CC1)c2ccnc(c2)F 271570a_100010737933_100009816116 [0,1,0,1,0,0|2,0,0]=4 6787 B14R2.22 O=C1C=C(CC1)c2cncc(c2)Br 271570a_100010737933_100000728054 [0,1,0,1,0,0|2,0,0]=4 6788 B14R2.22 O=C1C=C(CC1)c2cncc(c2)Cl 271570a_100010737933_100000049639 [0,1,0,1,0,0|2,0,0]=4 6789 B14R2.22 O=C1C=C(CC1)c2cncc(c2)F 271570a_100010737933_100000744099 [0,1,0,1,0,0|2,0,0]=4 6790 B14R2.22 O=C1C=C(CC1)c2cncc(c2)O 271570a_100010737933_100000754920 [0,1,0,1,0,0|2,0,0]=4 6791 B14R2.142 CNc1ccc2cccc(c2c1)O 34a_100132313934_200000210301 [0,1,0,1,0,0|2,0,0]=4 6792 B14R2.142 CNc1ccc2cccc(c2n1)C 27a_100102657272_100012002297 [0,1,0,1,0,0|2,0,0]=4 6793 B14R2.142 CNc1ccc2cccc(c2n1)O 27a_100102657272_100010153751 [0,1,0,1,0,0|2,0,0]=4 6794 B14R2.142 COc1cc2c(cccc2cn1)O 271570a_203496583355_100010126886 [0,1,0,1,0,0|2,0,0]=4 6795 B14R2.142 COc1ccc2cccc(c2c1)Br 34a_100010169565_200000210301 [0,1,0,1,0,0|1,0,0]=3 6796 B14R2.142 COc1ccc2cccc(c2c1)Br 7a_100010169565_200000210301 [0,1,0,1,0,0|1,0,0]=3 6797 B14R2.142 COc1ccc2cccc(c2c1)C 34a_200000091600_200000210301 [0,1,0,1,0,0|1,0,0]=3 6798 B14R2.142 COc1ccc2cccc(c2c1)C 7a_200000091600_200000210301 [0,1,0,1,0,0|1,0,0]=3 6799 B14R2.142 COc1ccc2cccc(c2c1)F 34a_100000091619_200000210301 [0,1,0,1,0,0|1,0,0]=3 6800 B14R2.142 COc1ccc2cccc(c2c1)F 7a_100000091619_200000210301 [0,1,0,1,0,0|1,0,0]=3 6801 B14R2.142 COc1ccc2cccc(c2c1)N 34a_100000034012_200000210301 [0,1,0,1,0,0|1,0,0]=3 6802 B14R2.142 COc1ccc2cccc(c2c1)N 7a_100000034012_200000210301 [0,1,0,1,0,0|1,0,0]=3 6803 B14R2.142 COc1ccc2cccc(c2c1)O 271570a_203496583355_100010178974 [0,1,0,1,0,0|1,0,0]=3 6804 B14R2.142 COc1ccc2ccnc(c2c1)Cl 34a_200009844553_200000210301 [0,1,0,1,0,0|2,0,0]=4 6805 B14R2.142 COc1ccc2ccnc(c2c1)Cl 7a_200009844553_200000210301 [0,1,0,1,0,0|2,0,0]=4 6806 B14R2.142 COc1ccc2ccnc(c2c1)O 271570a_203496583355_100012348807 [0,1,0,1,0,0|2,0,0]=4 6807 B14R2.142 COc1ccc2nccc(c2c1)Br 34a_100010204251_200000210301 [0,1,0,1,0,0|2,0,0]=4 6808 B14R2.142 COc1ccc2nccc(c2c1)Br 7a_100010204251_200000210301 [0,1,0,1,0,0|2,0,0]=4 6809 B14R2.142 COc1ccc2nccc(c2c1)Cl 34a_100000075933_200000210301 [0,1,0,1,0,0|2,0,0]=4 6810 B14R2.142 COc1ccc2nccc(c2c1)Cl 7a_100000075933_200000210301 [0,1,0,1,0,0|2,0,0]=4 6811 B14R2.142 COc1ccc2nccc(c2c1)O 271570a_203496583355_100011310462 [0,1,0,1,0,0|2,0,0]=4 6812 B14R2.142 COc1ccc2nccc(c2n1)O 271570a_203496583355_100000090520 [0,1,0,1,0,0|2,0,0]=4 6813 B14R2.142 CSc1ccc2cccc(c2c1)C 62a_200000210301_100010089936 [0,1,0,1,0,0|1,1,0]=4 6814 B14R2.142 CSc1ccc2cccc(c2c1)N 62a_100010090012_200000210301 [0,1,0,1,0,0|1,1,0]=4 6815 B14R2.142 CSc1ccc2cccc(c2c1)N 62a_200000210301_100010090012 [0,1,0,1,0,0|1,1,0]=4 6816 B14R2.142 CSc1ccc2cccc(c2c1)O 62a_200000210301_100010089991 [0,1,0,1,0,0|1,1,0]=4 6817 B14R2.142 CSc1ccc2cccc(c2n1)C 62a_200000210301_100012002297 [0,1,0,1,0,0|1,1,0]=4 6818 B14R2.142 CSc1ccc2cccc(c2n1)F 62a_200000210301_100012017632 [0,1,0,1,0,0|1,1,0]=4 6819 B14R2.142 CSc1ccc2cccc(c2n1)O 62a_200000210301_100000013812 [0,1,0,1,0,0|1,1,0]=4 6820 B14R2.142 Cc1cccc2c1cc(cc2)O[13CH3] 34a_200000091600_200025704644 [0,1,0,1,0,0|1,0,0]=3 6821 B14R2.142 Cc1cccc2c1cc(cc2)O[13CH3] 7a_200000091600_200025704644 [0,1,0,1,0,0|1,0,0]=3 6822 B14R2.142 Cc1cccc2c1cc(cc2)S[13CH3] 62a_200025704644_100010089936 [0,1,0,1,0,0|1,1,0]=4 6823 B14R2.142 Cc1cccc2c1nc(cc2)S[13CH3] 62a_200025704644_100012002297 [0,1,0,1,0,0|1,1,0]=4 6824 B14R2.142 [13CH3]Nc1ccc2cccc(c2c1)O 34a_100132313934_200025704644 [0,1,0,1,0,0|2,0,0]=4 6825 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)Br 34a_100010169565_200025704644 [0,1,0,1,0,0|1,0,0]=3 6826 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)Br 7a_100010169565_200025704644 [0,1,0,1,0,0|1,0,0]=3 6827 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)F 34a_100000091619_200025704644 [0,1,0,1,0,0|1,0,0]=3 6828 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)F 7a_100000091619_200025704644 [0,1,0,1,0,0|1,0,0]=3 6829 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)N 34a_100000034012_200025704644 [0,1,0,1,0,0|1,0,0]=3 6830 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)N 7a_100000034012_200025704644 [0,1,0,1,0,0|1,0,0]=3 6831 B14R2.142 [13CH3]Oc1ccc2ccnc(c2c1)Cl 34a_200009844553_200025704644 [0,1,0,1,0,0|2,0,0]=4 6832 B14R2.142 [13CH3]Oc1ccc2ccnc(c2c1)Cl 7a_200009844553_200025704644 [0,1,0,1,0,0|2,0,0]=4 6833 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Br 34a_100010204251_200025704644 [0,1,0,1,0,0|2,0,0]=4 6834 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Br 7a_100010204251_200025704644 [0,1,0,1,0,0|2,0,0]=4 6835 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Cl 34a_100000075933_200025704644 [0,1,0,1,0,0|2,0,0]=4 6836 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Cl 7a_100000075933_200025704644 [0,1,0,1,0,0|2,0,0]=4 6837 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)N 62a_100010090012_200025704644 [0,1,0,1,0,0|1,1,0]=4 6838 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)N 62a_200025704644_100010090012 [0,1,0,1,0,0|1,1,0]=4 6839 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)O 62a_200025704644_100010089991 [0,1,0,1,0,0|1,1,0]=4 6840 B14R2.142 [13CH3]Sc1ccc2cccc(c2n1)F 62a_200025704644_100012017632 [0,1,0,1,0,0|1,1,0]=4 6841 B14R2.142 [13CH3]Sc1ccc2cccc(c2n1)O 62a_200025704644_100000013812 [0,1,0,1,0,0|1,1,0]=4 6842 B14R2.2332 CNc1ccc2cc(ccc2c1)Br 34a_100000185457_200000210301 [0,1,0,1,0,0|2,0,0]=4 6843 B14R2.2332 CNc1ccc2cc(ccc2c1)Br 7a_100000185457_200000210301 [0,1,0,1,0,0|2,0,0]=4 6844 B14R2.2332 CNc1ccc2cc(ccc2n1)C 27a_100102657272_100011865911 [0,1,0,1,0,0|2,0,0]=4 6845 B14R2.2332 CNc1ccc2cc(ccc2n1)F 27a_100102657272_100011998705 [0,1,0,1,0,0|2,0,0]=4 6846 B14R2.2332 CNc1ccc2cc(ccc2n1)O 271570a_203496583355_200012034361 [0,1,0,1,0,0|2,0,0]=4 6847 B14R2.2332 COc1ccc2cc(ccc2c1)Br 34a_100000185455_200000210301 [0,1,0,1,0,0|1,0,0]=3 6848 B14R2.2332 COc1ccc2cc(ccc2c1)Br 7a_100000185455_200000210301 [0,1,0,1,0,0|1,0,0]=3 6849 B14R2.2332 COc1ccc2cc(ccc2c1)C 34a_100000074090_200000210301 [0,1,0,1,0,0|1,0,0]=3 6850 B14R2.2332 COc1ccc2cc(ccc2c1)C 7a_100000074090_200000210301 [0,1,0,1,0,0|1,0,0]=3 6851 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 34a_100000074905_200000210301 [0,1,0,1,0,0|1,0,0]=3 6852 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 7a_100000074905_200000210301 [0,1,0,1,0,0|1,0,0]=3 6853 B14R2.2332 COc1ccc2cc(ccc2c1)F 34a_100009847029_200000210301 [0,1,0,1,0,0|1,0,0]=3 6854 B14R2.2332 COc1ccc2cc(ccc2c1)F 7a_100009847029_200000210301 [0,1,0,1,0,0|1,0,0]=3 6855 B14R2.2332 COc1ccc2cc(ccc2c1)O 271570a_203496583355_100000170439 [0,1,0,1,0,0|1,0,0]=3 6856 B14R2.2332 COc1ccc2cc(ccc2n1)O 271570a_203496583355_100009817092 [0,1,0,1,0,0|1,0,0]=3 6857 B14R2.2332 COc1ccc2cc(cnc2c1)Br 34a_200010153753_200000210301 [0,1,0,1,0,0|2,0,0]=4 6858 B14R2.2332 COc1ccc2cc(cnc2c1)Br 7a_200010153753_200000210301 [0,1,0,1,0,0|2,0,0]=4 6859 B14R2.2332 COc1ccc2nc(ccc2c1)C 34a_100000037634_200000210301 [0,1,0,1,0,0|2,0,0]=4 6860 B14R2.2332 COc1ccc2nc(ccc2c1)C 7a_100000037634_200000210301 [0,1,0,1,0,0|2,0,0]=4 6861 B14R2.2332 COc1ccc2nc(ccc2c1)Cl 34a_100009849208_200000210301 [0,1,0,1,0,0|2,0,0]=4 6862 B14R2.2332 COc1ccc2nc(ccc2c1)Cl 7a_100009849208_200000210301 [0,1,0,1,0,0|2,0,0]=4 6863 B14R2.2332 COc1ccc2nc(ccc2c1)O 271570a_203496583355_100000743015 [0,1,0,1,0,0|2,0,0]=4 6864 B14R2.2332 COc1ccc2oc(=O)ccc2c1 34a_100000066265_200000210301 [0,1,0,1,0,0|2,0,0]=4 6865 B14R2.2332 COc1ccc2oc(=O)ccc2c1 7a_100000066265_200000210301 [0,1,0,1,0,0|2,0,0]=4 6866 B14R2.2332 COc1cnc2cc(ccc2c1)F 34a_100012184162_200000210301 [0,1,0,1,0,0|2,0,0]=4 6867 B14R2.2332 COc1cnc2cc(ccc2c1)F 7a_100012184162_200000210301 [0,1,0,1,0,0|2,0,0]=4 6868 B14R2.2332 CSc1ccc2cc(ccc2c1)Br 62a_100012344972_200000210301 [0,1,0,1,0,0|1,1,0]=4 6869 B14R2.2332 CSc1ccc2cc(ccc2c1)Br 62a_200000210301_100012344972 [0,1,0,1,0,0|1,1,0]=4 6870 B14R2.2332 CSc1ccc2cc(ccc2c1)F 62a_100009817052_200000210301 [0,1,0,1,0,0|1,1,0]=4 6871 B14R2.2332 CSc1ccc2cc(ccc2c1)F 62a_200000210301_100009817052 [0,1,0,1,0,0|1,1,0]=4 6872 B14R2.2332 CSc1ccc2cc(ccc2c1)N 62a_100000185457_200000210301 [0,1,0,1,0,0|1,1,0]=4 6873 B14R2.2332 CSc1ccc2cc(ccc2c1)N 62a_200000210301_100000185457 [0,1,0,1,0,0|1,1,0]=4 6874 B14R2.2332 CSc1ccc2cc(ccc2c1)O 62a_200000210301_100000185455 [0,1,0,1,0,0|1,1,0]=4 6875 B14R2.2332 CSc1ccc2cc(ccc2n1)C 62a_200000181977_200000210301 [0,1,0,1,0,0|1,1,0]=4 6876 B14R2.2332 CSc1ccc2cc(ccc2n1)C 62a_200000210301_100011865911 [0,1,0,1,0,0|1,1,0]=4 6877 B14R2.2332 CSc1ccc2cc(ccc2n1)F 62a_200000210301_100011998705 [0,1,0,1,0,0|1,1,0]=4 6878 B14R2.2332 CSc1ccc2cc(ccc2n1)F 62a_200012355665_200000210301 [0,1,0,1,0,0|1,1,0]=4 6879 B14R2.2332 CSc1ccc2cc(ccc2n1)O 62a_200000210301_100009849208 [0,1,0,1,0,0|1,1,0]=4 6880 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 34a_100000074090_200025704644 [0,1,0,1,0,0|1,0,0]=3 6881 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 7a_100000074090_200025704644 [0,1,0,1,0,0|1,0,0]=3 6882 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 34a_100000037634_200025704644 [0,1,0,1,0,0|2,0,0]=4 6883 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 7a_100000037634_200025704644 [0,1,0,1,0,0|2,0,0]=4 6884 B14R2.2332 Cc1ccc2nc(ccc2c1)S[13CH3] 62a_200000181977_200025704644 [0,1,0,1,0,0|1,1,0]=4 6885 B14R2.2332 Cc1ccc2nc(ccc2c1)S[13CH3] 62a_200025704644_100011865911 [0,1,0,1,0,0|1,1,0]=4 6886 B14R2.2332 [13CH3]Nc1ccc2cc(ccc2c1)Br 34a_100000185457_200025704644 [0,1,0,1,0,0|2,0,0]=4 6887 B14R2.2332 [13CH3]Nc1ccc2cc(ccc2c1)Br 7a_100000185457_200025704644 [0,1,0,1,0,0|2,0,0]=4 6888 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Br 34a_100000185455_200025704644 [0,1,0,1,0,0|1,0,0]=3 6889 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Br 7a_100000185455_200025704644 [0,1,0,1,0,0|1,0,0]=3 6890 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 34a_100000074905_200025704644 [0,1,0,1,0,0|1,0,0]=3 6891 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 7a_100000074905_200025704644 [0,1,0,1,0,0|1,0,0]=3 6892 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)F 34a_100009847029_200025704644 [0,1,0,1,0,0|1,0,0]=3 6893 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)F 7a_100009847029_200025704644 [0,1,0,1,0,0|1,0,0]=3 6894 B14R2.2332 [13CH3]Oc1ccc2cc(cnc2c1)Br 34a_200010153753_200025704644 [0,1,0,1,0,0|2,0,0]=4 6895 B14R2.2332 [13CH3]Oc1ccc2cc(cnc2c1)Br 7a_200010153753_200025704644 [0,1,0,1,0,0|2,0,0]=4 6896 B14R2.2332 [13CH3]Oc1ccc2nc(ccc2c1)Cl 34a_100009849208_200025704644 [0,1,0,1,0,0|2,0,0]=4 6897 B14R2.2332 [13CH3]Oc1ccc2nc(ccc2c1)Cl 7a_100009849208_200025704644 [0,1,0,1,0,0|2,0,0]=4 6898 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 34a_100000066265_200025704644 [0,1,0,1,0,0|2,0,0]=4 6899 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 7a_100000066265_200025704644 [0,1,0,1,0,0|2,0,0]=4 6900 B14R2.2332 [13CH3]Oc1cnc2cc(ccc2c1)F 34a_100012184162_200025704644 [0,1,0,1,0,0|2,0,0]=4 6901 B14R2.2332 [13CH3]Oc1cnc2cc(ccc2c1)F 7a_100012184162_200025704644 [0,1,0,1,0,0|2,0,0]=4 6902 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)Br 62a_100012344972_200025704644 [0,1,0,1,0,0|1,1,0]=4 6903 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)Br 62a_200025704644_100012344972 [0,1,0,1,0,0|1,1,0]=4 6904 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)F 62a_100009817052_200025704644 [0,1,0,1,0,0|1,1,0]=4 6905 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)F 62a_200025704644_100009817052 [0,1,0,1,0,0|1,1,0]=4 6906 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)N 62a_100000185457_200025704644 [0,1,0,1,0,0|1,1,0]=4 6907 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)N 62a_200025704644_100000185457 [0,1,0,1,0,0|1,1,0]=4 6908 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)O 62a_200025704644_100000185455 [0,1,0,1,0,0|1,1,0]=4 6909 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2n1)F 62a_200012355665_200025704644 [0,1,0,1,0,0|1,1,0]=4 6910 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2n1)F 62a_200025704644_100011998705 [0,1,0,1,0,0|1,1,0]=4 6911 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2n1)O 62a_200025704644_100009849208 [0,1,0,1,0,0|1,1,0]=4 6912 B14R2.29369 O=C1C=Cc2cc(ccc2C1=O)O 271570a_203496583355_100009812793 [0,1,0,1,0,0|2,0,0]=4 6913 B14R2.30 O=C1OCCC1Nc2ccccc2 34a_100000106764_100000211211 [0,1,0,1,0,0|1,0,1]=4 6914 B14R2.30 O=C1OCCC1Oc2ccccc2 34a_100000210340_100000211211 [0,1,0,1,0,0|1,0,1]=4 6915 B14R2.30 O=C1OCCC1Oc2ccccc2 7a_100000210340_100000211211 [0,1,0,1,0,0|1,0,1]=4 6916 B14R2.30 O=C1OCCC1Sc2ccccc2 62a_100000211211_100000041952 [0,1,0,1,0,0|1,0,1]=4 6917 B14R2.30 O=C1OCCC1Sc2ccccc2 62a_100000719477_100000211211 [0,1,0,1,0,0|1,0,1]=4 6918 B14R2.101 C(=Cc1ccco1)c2ccccc2 271570a_100102527694_100009814098 [0,1,0,1,0,0|1,0,1]=4 6919 B14R2.101 C(=Cc1ccoc1)c2ccccc2 271570a_100102527694_100011215275 [0,1,0,1,0,0|1,0,1]=4 6920 B14R2.101 C(=Cc1cnco1)c2ccccc2 271570a_100102527694_100020591547 [0,1,0,1,0,0|1,0,1]=4 6921 B14R2.101 C(=Cc1cnoc1)c2ccccc2 271570a_100102527694_100009815712 [0,1,0,1,0,0|2,0,0]=4 6922 B14R2.101 C(=Cc1ncco1)c2ccccc2 271570a_100102527694_100011787736 [0,1,0,1,0,0|1,0,1]=4 6923 B14R2.112 CC=Cc1ccc2ccccc2c1 271570a_100016259895_100000233703 [0,1,0,1,0,0|2,0,0]=4 6924 B14R2.112 CC=Cc1ccc2ccccc2n1 271570a_100016259895_100011291633 [0,1,0,1,0,0|2,0,0]=4 6925 B14R2.112 CCNc1ccc2ccccc2c1 34a_100000211940_100000210202 [0,1,0,1,0,0|2,0,0]=4 6926 B14R2.112 CCNc1ccc2ccccc2c1 7a_100000211940_100000210202 [0,1,0,1,0,0|2,0,0]=4 6927 B14R2.112 CCNc1ccc2ccccc2n1 27a_100015525214_100011291633 [0,1,0,1,0,0|2,0,0]=4 6928 B14R2.112 CCOc1ccc2ccccc2c1 34a_100000185828_100000210202 [0,1,0,1,0,0|1,0,0]=3 6929 B14R2.112 CCOc1ccc2ccccc2c1 7a_100000185828_100000210202 [0,1,0,1,0,0|1,0,0]=3 6930 B14R2.112 CCOc1ccc2cccnc2c1 34a_100011216045_100000210202 [0,1,0,1,0,0|2,0,0]=4 6931 B14R2.112 CCOc1ccc2ccncc2c1 7a_100000752006_100000210202 [0,1,0,1,0,0|2,0,0]=4 6932 B14R2.112 CCOc1ccc2cnccc2c1 34a_100000046372_100000210202 [0,1,0,1,0,0|2,0,0]=4 6933 B14R2.112 CCOc1ccc2cnccc2c1 7a_100000046372_100000210202 [0,1,0,1,0,0|2,0,0]=4 6934 B14R2.112 CCOc1ccc2ncccc2c1 34a_100011215586_100000210202 [0,1,0,1,0,0|2,0,0]=4 6935 B14R2.112 CCOc1ccc2ncccc2c1 7a_100011215586_100000210202 [0,1,0,1,0,0|2,0,0]=4 6936 B14R2.112 CCOc1cnc2ccccc2c1 34a_100011934006_100000210202 [0,1,0,1,0,0|2,0,0]=4 6937 B14R2.112 CCOc1cnc2ccccc2c1 7a_100011934006_100000210202 [0,1,0,1,0,0|2,0,0]=4 6938 B14R2.112 CCSc1ccc2ccccc2c1 62a_100000210202_100000233703 [0,1,0,1,0,0|1,1,0]=4 6939 B14R2.112 CCSc1ccc2ccccc2n1 62a_100000210202_100011291633 [0,1,0,1,0,0|1,1,0]=4 6940 B14R2.112 CCSc1ccc2ccccc2n1 62a_100011291633_100000210202 [0,1,0,1,0,0|1,1,0]=4 6941 B14R2.112 CNCc1ccc2ccccc2c1 207a_100102657272_100000211584 [0,1,0,1,0,0|2,0,0]=4 6942 B14R2.112 CNCc1ccc2ccccc2c1 2230a_100000739491_200000210301 [0,1,0,1,0,0|2,0,0]=4 6943 B14R2.112 CNCc1ccc2ccccc2c1 2230a_106832991635_100011216711 [0,1,0,1,0,0|2,0,0]=4 6944 B14R2.112 CNCc1ccc2ccccc2c1 270004a_106832991635_100000211584 [0,1,0,1,0,0|2,0,0]=4 6945 B14R2.112 CNCc1ccc2ccccc2c1 34a_100000739491_200000210301 [0,1,0,1,0,0|2,0,0]=4 6946 B14R2.112 CNCc1ccc2ccccc2c1 34a_100102657272_100011216711 [0,1,0,1,0,0|2,0,0]=4 6947 B14R2.112 CNCc1ccc2ccccc2c1 7a_106832991635_100011216711 [0,1,0,1,0,0|2,0,0]=4 6948 B14R2.112 CNCc1ccc2ccccc2n1 207a_100102657272_100000759686 [0,1,0,1,0,0|2,0,0]=4 6949 B14R2.112 CNCc1ccc2ccccc2n1 2230a_106832991635_100000737579 [0,1,0,1,0,0|2,0,0]=4 6950 B14R2.112 CNCc1ccc2ccccc2n1 270004a_106832991635_100000759686 [0,1,0,1,0,0|2,0,0]=4 6951 B14R2.112 CNCc1ccc2ccccc2n1 34a_100102657272_100000737579 [0,1,0,1,0,0|2,0,0]=4 6952 B14R2.112 CNCc1ccc2ccccc2n1 7a_106832991635_100000737579 [0,1,0,1,0,0|2,0,0]=4 6953 B14R2.112 COCc1cc2ccccc2cn1 34a_100138415774_100009869231 [0,1,0,1,0,0|2,0,0]=4 6954 B14R2.112 COCc1ccc2ccccc2c1 34a_100011215330_200000210301 [0,1,0,1,0,0|1,0,0]=3 6955 B14R2.112 COCc1ccc2ccccc2c1 34a_100138415774_100011216711 [0,1,0,1,0,0|1,0,0]=3 6956 B14R2.112 COCc1ccc2ccccc2c1 7a_100011215330_200000210301 [0,1,0,1,0,0|1,0,0]=3 6957 B14R2.112 COCc1ccc2ccccc2n1 34a_100138415774_100000737579 [0,1,0,1,0,0|1,0,0]=3 6958 B14R2.112 COCc1ccc2cnccc2c1 34a_100138415774_100020605334 [0,1,0,1,0,0|2,0,0]=4 6959 B14R2.112 COCc1ccc2ncccc2c1 34a_100011315636_200000210301 [0,1,0,1,0,0|2,0,0]=4 6960 B14R2.112 COCc1ccc2ncccc2c1 34a_100138415774_100000703657 [0,1,0,1,0,0|2,0,0]=4 6961 B14R2.112 COCc1cnc2ccccc2c1 34a_100011258773_200000210301 [0,1,0,1,0,0|2,0,0]=4 6962 B14R2.112 COCc1ncc2ccccc2n1 34a_100138415774_100009868571 [0,1,0,1,0,0|2,0,0]=4 6963 B14R2.112 CSCc1ccc2ccccc2c1 62a_100011216711_200000210301 [0,1,0,1,0,0|1,1,0]=4 6964 B14R2.112 CSCc1ccc2ccccc2c1 62a_200000210301_100011216711 [0,1,0,1,0,0|1,1,0]=4 6965 B14R2.112 CSCc1ccc2ccccc2n1 62a_100000737579_200000210301 [0,1,0,1,0,0|1,1,0]=4 6966 B14R2.112 CSCc1ccc2ccccc2n1 62a_200000210301_100000737579 [0,1,0,1,0,0|1,1,0]=4 6967 B14R2.112 FCNc1ccc2ccccc2c1 34a_100000211940_100015361967 [0,1,0,1,0,0|2,0,0]=4 6968 B14R2.112 FCNc1ccc2ccccc2c1 7a_100000211940_100015361967 [0,1,0,1,0,0|2,0,0]=4 6969 B14R2.112 FCOc1ccc2ccccc2c1 34a_100000185828_100015361967 [0,1,0,1,0,0|1,0,0]=3 6970 B14R2.112 FCOc1ccc2ccccc2c1 7a_100000185828_100015361967 [0,1,0,1,0,0|1,0,0]=3 6971 B14R2.112 FCOc1ccc2cccnc2c1 34a_100011216045_100015361967 [0,1,0,1,0,0|2,0,0]=4 6972 B14R2.112 FCOc1ccc2ccncc2c1 7a_100000752006_100015361967 [0,1,0,1,0,0|2,0,0]=4 6973 B14R2.112 FCOc1ccc2cnccc2c1 34a_100000046372_100015361967 [0,1,0,1,0,0|2,0,0]=4 6974 B14R2.112 FCOc1ccc2cnccc2c1 7a_100000046372_100015361967 [0,1,0,1,0,0|2,0,0]=4 6975 B14R2.112 FCOc1ccc2ncccc2c1 34a_100011215586_100015361967 [0,1,0,1,0,0|2,0,0]=4 6976 B14R2.112 FCOc1ccc2ncccc2c1 7a_100011215586_100015361967 [0,1,0,1,0,0|2,0,0]=4 6977 B14R2.112 FCOc1cnc2ccccc2c1 34a_100011934006_100015361967 [0,1,0,1,0,0|2,0,0]=4 6978 B14R2.112 FCOc1cnc2ccccc2c1 7a_100011934006_100015361967 [0,1,0,1,0,0|2,0,0]=4 6979 B14R2.112 FCSc1ccc2ccccc2c1 62a_100015361967_100000233703 [0,1,0,1,0,0|1,1,0]=4 6980 B14R2.112 FCSc1ccc2ccccc2n1 62a_100011291633_100015361967 [0,1,0,1,0,0|1,1,0]=4 6981 B14R2.112 FCSc1ccc2ccccc2n1 62a_100015361967_100011291633 [0,1,0,1,0,0|1,1,0]=4 6982 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 2230a_100000739491_200025704644 [0,1,0,1,0,0|2,0,0]=4 6983 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 34a_100000739491_200025704644 [0,1,0,1,0,0|2,0,0]=4 6984 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 34a_100011215330_200025704644 [0,1,0,1,0,0|1,0,0]=3 6985 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 7a_100011215330_200025704644 [0,1,0,1,0,0|1,0,0]=3 6986 B14R2.112 [13CH3]OCc1ccc2ncccc2c1 34a_100011315636_200025704644 [0,1,0,1,0,0|2,0,0]=4 6987 B14R2.112 [13CH3]OCc1cnc2ccccc2c1 34a_100011258773_200025704644 [0,1,0,1,0,0|2,0,0]=4 6988 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_100011216711_200025704644 [0,1,0,1,0,0|1,1,0]=4 6989 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_200025704644_100011216711 [0,1,0,1,0,0|1,1,0]=4 6990 B14R2.112 [13CH3]SCc1ccc2ccccc2n1 62a_100000737579_200025704644 [0,1,0,1,0,0|1,1,0]=4 6991 B14R2.112 [13CH3]SCc1ccc2ccccc2n1 62a_200025704644_100000737579 [0,1,0,1,0,0|1,1,0]=4 6992 B14R2.203 CNc1c(ccc2c1cccc2)Br 34a_100009817101_200000210301 [0,1,0,1,0,0|2,0,0]=4 6993 B14R2.203 CNc1c(ccc2c1cccc2)C 34a_100000688109_200000210301 [0,1,0,1,0,0|2,0,0]=4 6994 B14R2.203 CNc1c(ccc2c1cccc2)Cl 34a_200009860907_200000210301 [0,1,0,1,0,0|2,0,0]=4 6995 B14R2.203 CNc1c(ccc2c1cccc2)O 34a_100000007056_200000210301 [0,1,0,1,0,0|1,0,1]=4 6996 B14R2.203 COc1c(ccc2c1cccc2)Br 34a_100009996032_200000210301 [0,1,0,1,0,0|1,0,0]=3 6997 B14R2.203 COc1c(ccc2c1cccc2)Br 7a_100009996032_200000210301 [0,1,0,1,0,0|1,0,0]=3 6998 B14R2.203 COc1c(ccc2c1cccc2)C 34a_100000039261_200000210301 [0,1,0,1,0,0|1,0,0]=3 6999 B14R2.203 COc1c(ccc2c1cccc2)C 7a_100000039261_200000210301 [0,1,0,1,0,0|1,0,0]=3 7000 B14R2.203 COc1c(ccc2c1cccc2)N 34a_100000007060_200000210301 [0,1,0,1,0,0|1,0,0]=3 7001 B14R2.203 COc1c(ccc2c1cccc2)O 271570a_203496583355_100010089960 [0,1,0,1,0,0|0,0,1]=3 7002 B14R2.203 COc1c(ccc2c1nccc2)Br 34a_100009816563_200000210301 [0,1,0,1,0,0|2,0,0]=4 7003 B14R2.203 COc1c(ccc2c1nccc2)Cl 34a_100000700379_200000210301 [0,1,0,1,0,0|2,0,0]=4 7004 B14R2.203 COc1c(ccc2c1nccc2)Cl 7a_100000700379_200000210301 [0,1,0,1,0,0|2,0,0]=4 7005 B14R2.203 COc1c(ccc2c1nccc2)O 271570a_203496583355_100010256708 [0,1,0,1,0,0|1,0,1]=4 7006 B14R2.203 CSc1c(ccc2c1cccc2)Br 62a_100010090040_200000210301 [0,1,0,1,0,0|1,1,0]=4 7007 B14R2.203 CSc1c(ccc2c1cccc2)Br 62a_200000210301_100010090040 [0,1,0,1,0,0|1,1,0]=4 7008 B14R2.203 CSc1c(ccc2c1cccc2)C 62a_100000759710_200000210301 [0,1,0,1,0,0|1,1,0]=4 7009 B14R2.203 CSc1c(ccc2c1cccc2)C 62a_200000210301_100000759710 [0,1,0,1,0,0|1,1,0]=4 7010 B14R2.203 CSc1c(ccc2c1cccc2)N 62a_100000705303_200000210301 [0,1,0,1,0,0|1,1,0]=4 7011 B14R2.203 CSc1c(ccc2c1cccc2)N 62a_200000210301_100000705303 [0,1,0,1,0,0|1,1,0]=4 7012 B14R2.203 CSc1c(ccc2c1cccc2)O 62a_200000210301_100000183829 [0,1,0,1,0,0|0,1,1]=4 7013 B14R2.203 Cc1ccc2ccccc2c1N[13CH3] 34a_100000688109_200025704644 [0,1,0,1,0,0|2,0,0]=4 7014 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 34a_100000039261_200025704644 [0,1,0,1,0,0|1,0,0]=3 7015 B14R2.203 Cc1ccc2ccccc2c1O[13CH3] 7a_100000039261_200025704644 [0,1,0,1,0,0|1,0,0]=3 7016 B14R2.203 Cc1ccc2ccccc2c1S[13CH3] 62a_100000759710_200025704644 [0,1,0,1,0,0|1,1,0]=4 7017 B14R2.203 Cc1ccc2ccccc2c1S[13CH3] 62a_200025704644_100000759710 [0,1,0,1,0,0|1,1,0]=4 7018 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)Br 34a_100009817101_200025704644 [0,1,0,1,0,0|2,0,0]=4 7019 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)Cl 34a_200009860907_200025704644 [0,1,0,1,0,0|2,0,0]=4 7020 B14R2.203 [13CH3]Nc1c(ccc2c1cccc2)O 34a_100000007056_200025704644 [0,1,0,1,0,0|1,0,1]=4 7021 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 34a_100009996032_200025704644 [0,1,0,1,0,0|1,0,0]=3 7022 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)Br 7a_100009996032_200025704644 [0,1,0,1,0,0|1,0,0]=3 7023 B14R2.203 [13CH3]Oc1c(ccc2c1cccc2)N 34a_100000007060_200025704644 [0,1,0,1,0,0|1,0,0]=3 7024 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Br 34a_100009816563_200025704644 [0,1,0,1,0,0|2,0,0]=4 7025 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 34a_100000700379_200025704644 [0,1,0,1,0,0|2,0,0]=4 7026 B14R2.203 [13CH3]Oc1c(ccc2c1nccc2)Cl 7a_100000700379_200025704644 [0,1,0,1,0,0|2,0,0]=4 7027 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)Br 62a_100010090040_200025704644 [0,1,0,1,0,0|1,1,0]=4 7028 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)Br 62a_200025704644_100010090040 [0,1,0,1,0,0|1,1,0]=4 7029 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)N 62a_100000705303_200025704644 [0,1,0,1,0,0|1,1,0]=4 7030 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)N 62a_200025704644_100000705303 [0,1,0,1,0,0|1,1,0]=4 7031 B14R2.203 [13CH3]Sc1c(ccc2c1cccc2)O 62a_200025704644_100000183829 [0,1,0,1,0,0|0,1,1]=4 7032 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 271570a_100010068963_100000210277 [0,1,0,1,0,0|1,1,0]=4 7033 B14R2.598 Cc1cc(c(s1)C)c2ccccc2 271570a_100011218836_100000688054 [0,1,0,1,0,0|1,1,0]=4 7034 B14R2.598 Cc1cc(n(n1)C)c2ccccc2 271570a_100010162543_100000210277 [0,1,0,1,0,0|2,0,0]=4 7035 B14R2.598 Cc1cc(n(n1)C)c2ccccc2 271570a_100011218836_100009818511 [0,1,0,1,0,0|2,0,0]=4 7036 B14R2.598 Cn1nc(cc1c2ccccc2)N 271570a_100011218836_100116209741 [0,1,0,1,0,0|2,0,0]=4 7037 B14R2.2899 O=C(CCc1ccccc1)C2CO2 1458a_100000701028_100000765856 [0,1,0,1,0,0|0,0,2]=4 7038 B14R2.2899 O=C(NCc1ccccc1)C2CO2 11a_100015324214_100000701028 [0,1,0,1,0,0|1,0,1]=4 7039 B14R2.2899 O=C(NCc1ccccc1)C2CO2 1626a_100015324214_100000701028 [0,1,0,1,0,0|1,0,1]=4 7040 B14R2.2899 O=C(NCc1ccccc1)C2CO2 240690a_100015324214_100000701028 [0,1,0,1,0,0|1,0,1]=4 7041 B14R2.2899 O=C(NCc1ccccc1)C2CO2 527a_100015324214_100000701028 [0,1,0,1,0,0|1,0,1]=4 7042 B14R2.2899 O=C(NNc1ccccc1)C2CO2 22a_100015195140_100000701028 [0,1,0,1,0,0|2,0,0]=4 7043 B14R2.972 CC(O[13CH3])c1cc2ccccc2o1 34a_100000198572_200025704644 [0,1,0,1,0,0|1,0,1]=4 7044 B14R2.972 CC(O[13CH3])c1cc2ccccc2o1 7a_100000198572_200025704644 [0,1,0,1,0,0|1,0,1]=4 7045 B14R2.972 CCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210202 [0,1,0,1,0,0|1,0,0]=3 7046 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 11a_106832991635_100009862756 [0,1,0,1,0,0|1,0,0]=3 7047 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 1626a_100102657272_100009862756 [0,1,0,1,0,0|1,0,0]=3 7048 B14R2.972 CNC(=O)C1=Cc2ccccc2C1 240690a_100102657272_100009862756 [0,1,0,1,0,0|1,0,0]=3 7049 B14R2.972 COC(C)c1cc2ccccc2o1 34a_100000198572_200000210301 [0,1,0,1,0,0|1,0,1]=4 7050 B14R2.972 COC(C)c1cc2ccccc2o1 7a_100000198572_200000210301 [0,1,0,1,0,0|1,0,1]=4 7051 B14R2.972 O=C(CF)C1=Cc2ccccc2C1 1458a_100009862756_100015361967 [0,1,0,1,0,0|2,0,0]=4 7052 B14R2.1128 CNc1cc2ccccc2cc1Br 34a_100009991566_200000210301 [0,1,0,1,0,0|2,0,0]=4 7053 B14R2.1128 CNc1cc2ccccc2cc1Br 7a_100009991566_200000210301 [0,1,0,1,0,0|2,0,0]=4 7054 B14R2.1128 CNc1nc2ccccc2cc1C 27a_100102657272_100000751756 [0,1,0,1,0,0|2,0,0]=4 7055 B14R2.1128 COc1cc2ccccc2cc1Br 34a_100009817189_200000210301 [0,1,0,1,0,0|1,0,0]=3 7056 B14R2.1128 COc1cc2ccccc2cc1Br 7a_100009817189_200000210301 [0,1,0,1,0,0|1,0,0]=3 7057 B14R2.1128 COc1cc2ccccc2cc1C 34a_100000091601_200000210301 [0,1,0,1,0,0|1,0,0]=3 7058 B14R2.1128 COc1cc2ccccc2cc1C 7a_100000091601_200000210301 [0,1,0,1,0,0|1,0,0]=3 7059 B14R2.1128 COc1cc2ccccc2cc1N 34a_106744474703_200000210301 [0,1,0,1,0,0|1,0,0]=3 7060 B14R2.1128 COc1cc2ccccc2cc1N 7a_106744474703_200000210301 [0,1,0,1,0,0|1,0,0]=3 7061 B14R2.1128 COc1cc2ccccc2cc1O 271570a_203496583355_100009817100 [0,1,0,1,0,0|1,0,0]=3 7062 B14R2.1128 COc1cc2ccccc2nc1C 34a_200000079175_200000210301 [0,1,0,1,0,0|2,0,0]=4 7063 B14R2.1128 COc1cc2ccccc2nc1C 7a_200000079175_200000210301 [0,1,0,1,0,0|2,0,0]=4 7064 B14R2.1128 COc1cc2ccccc2nc1Cl 34a_200000100762_200000210301 [0,1,0,1,0,0|2,0,0]=4 7065 B14R2.1128 COc1cc2ccccc2nc1Cl 7a_200000100762_200000210301 [0,1,0,1,0,0|2,0,0]=4 7066 B14R2.1128 COc1cc2ccccc2oc1=O 7a_100000061252_200000210301 [0,1,0,1,0,0|2,0,0]=4 7067 B14R2.1128 COc1cc2cccnc2cc1Br 34a_200010153759_200000210301 [0,1,0,1,0,0|2,0,0]=4 7068 B14R2.1128 COc1cc2cccnc2cc1Br 7a_200010153759_200000210301 [0,1,0,1,0,0|2,0,0]=4 7069 B14R2.1128 COc1cc2cccnc2cc1O 271570a_203496583355_100011093944 [0,1,0,1,0,0|2,0,0]=4 7070 B14R2.1128 COc1cc2ccncc2cc1O 271570a_203496583355_100010990640 [0,1,0,1,0,0|2,0,0]=4 7071 B14R2.1128 COc1cc2ncccc2cc1O 271570a_203496583355_100020706834 [0,1,0,1,0,0|2,0,0]=4 7072 B14R2.1128 COc1nc2ccccc2cc1O 271570a_203496583355_100009820890 [0,1,0,1,0,0|1,0,0]=3 7073 B14R2.1128 COc1nc2ccccc2nc1O 271570a_203496583355_100000085300 [0,1,0,1,0,0|2,0,0]=4 7074 B14R2.1128 CSc1cc2ccccc2cc1Br 62a_200000210301_200010169544 [0,1,0,1,0,0|1,1,0]=4 7075 B14R2.1128 CSc1cc2ccccc2cc1Br 62a_200010169544_200000210301 [0,1,0,1,0,0|1,1,0]=4 7076 B14R2.1128 CSc1cc2ccccc2cc1Cl 62a_100010152806_200000210301 [0,1,0,1,0,0|1,1,0]=4 7077 B14R2.1128 CSc1cc2ccccc2cc1Cl 62a_200000210301_100010152806 [0,1,0,1,0,0|1,1,0]=4 7078 B14R2.1128 CSc1cc2ccccc2cc1N 62a_100009991566_200000210301 [0,1,0,1,0,0|1,1,0]=4 7079 B14R2.1128 CSc1cc2ccccc2cc1N 62a_200000210301_100009991566 [0,1,0,1,0,0|1,1,0]=4 7080 B14R2.1128 CSc1cc2ccccc2cc1O 62a_200000210301_100009817189 [0,1,0,1,0,0|1,1,0]=4 7081 B14R2.1128 CSc1nc2ccccc2cc1Br 62a_100010072790_200000210301 [0,1,0,1,0,0|1,1,0]=4 7082 B14R2.1128 CSc1nc2ccccc2cc1Br 62a_200000210301_100010072790 [0,1,0,1,0,0|1,1,0]=4 7083 B14R2.1128 CSc1nc2ccccc2cc1C 62a_200000210301_100000751756 [0,1,0,1,0,0|1,1,0]=4 7084 B14R2.1128 CSc1nc2ccccc2cc1O 62a_200000210301_200000100762 [0,1,0,1,0,0|1,1,0]=4 7085 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 34a_100000091601_200025704644 [0,1,0,1,0,0|1,0,0]=3 7086 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 7a_100000091601_200025704644 [0,1,0,1,0,0|1,0,0]=3 7087 B14R2.1128 Cc1cc2ccccc2nc1S[13CH3] 62a_200025704644_100000751756 [0,1,0,1,0,0|1,1,0]=4 7088 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 34a_200000079175_200025704644 [0,1,0,1,0,0|2,0,0]=4 7089 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 7a_200000079175_200025704644 [0,1,0,1,0,0|2,0,0]=4 7090 B14R2.1128 [13CH3]Nc1cc2ccccc2cc1Br 34a_100009991566_200025704644 [0,1,0,1,0,0|2,0,0]=4 7091 B14R2.1128 [13CH3]Nc1cc2ccccc2cc1Br 7a_100009991566_200025704644 [0,1,0,1,0,0|2,0,0]=4 7092 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 34a_100009817189_200025704644 [0,1,0,1,0,0|1,0,0]=3 7093 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 7a_100009817189_200025704644 [0,1,0,1,0,0|1,0,0]=3 7094 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 34a_106744474703_200025704644 [0,1,0,1,0,0|1,0,0]=3 7095 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 7a_106744474703_200025704644 [0,1,0,1,0,0|1,0,0]=3 7096 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 34a_200000100762_200025704644 [0,1,0,1,0,0|2,0,0]=4 7097 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 7a_200000100762_200025704644 [0,1,0,1,0,0|2,0,0]=4 7098 B14R2.1128 [13CH3]Oc1cc2ccccc2oc1=O 7a_100000061252_200025704644 [0,1,0,1,0,0|2,0,0]=4 7099 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 34a_200010153759_200025704644 [0,1,0,1,0,0|2,0,0]=4 7100 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 7a_200010153759_200025704644 [0,1,0,1,0,0|2,0,0]=4 7101 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Br 62a_200010169544_200025704644 [0,1,0,1,0,0|1,1,0]=4 7102 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Br 62a_200025704644_200010169544 [0,1,0,1,0,0|1,1,0]=4 7103 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Cl 62a_100010152806_200025704644 [0,1,0,1,0,0|1,1,0]=4 7104 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Cl 62a_200025704644_100010152806 [0,1,0,1,0,0|1,1,0]=4 7105 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1N 62a_100009991566_200025704644 [0,1,0,1,0,0|1,1,0]=4 7106 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1N 62a_200025704644_100009991566 [0,1,0,1,0,0|1,1,0]=4 7107 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1O 62a_200025704644_100009817189 [0,1,0,1,0,0|1,1,0]=4 7108 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1Br 62a_100010072790_200025704644 [0,1,0,1,0,0|1,1,0]=4 7109 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1Br 62a_200025704644_100010072790 [0,1,0,1,0,0|1,1,0]=4 7110 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1O 62a_200025704644_200000100762 [0,1,0,1,0,0|1,1,0]=4 7111 B14R2.781 C=C(C)c1ccc2ccccc2c1 271570a_100000694244_100000233703 [0,1,0,1,0,0|2,0,0]=4 7112 B14R2.781 C=C(C)c1ccc2ccccc2n1 271570a_100000694244_100011291633 [0,1,0,1,0,0|2,0,0]=4 7113 B14R2.781 CC(=O)c1ccc2ccccc2c1 1458a_100000210637_200000210301 [0,1,0,1,0,0|2,0,0]=4 7114 B14R2.781 CN(C)c1ccc2ccccc2c1 2230a_100000181211_200000210301 [0,1,0,1,0,0|2,0,0]=4 7115 B14R2.781 CN(C)c1ccc2ccccc2c1 269982a_100000181211_200000210301 [0,1,0,1,0,0|2,0,0]=4 7116 B14R2.781 CN(C)c1ccc2ccccc2c1 34a_100000181211_200000210301 [0,1,0,1,0,0|2,0,0]=4 7117 B14R2.781 CN(C)c1ccc2ccccc2n1 27a_100102631434_100011291633 [0,1,0,1,0,0|2,0,0]=4 7118 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 2230a_100000181211_200025704644 [0,1,0,1,0,0|2,0,0]=4 7119 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 269982a_100000181211_200025704644 [0,1,0,1,0,0|2,0,0]=4 7120 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 34a_100000181211_200025704644 [0,1,0,1,0,0|2,0,0]=4 7121 B14R2.781 [13CH3]C(=O)c1ccc2ccccc2c1 1458a_100000210637_200025704644 [0,1,0,1,0,0|2,0,0]=4 7122 B14R2.92 C=Cc1ccc2ccccc2c1C 271570a_100011290941_100010221197 [0,1,0,1,0,0|2,0,0]=4 7123 B14R2.92 CNc1ccc2ccccc2c1Br 34a_100000705303_200000210301 [0,1,0,1,0,0|2,0,0]=4 7124 B14R2.92 CNc1ccc2ccccc2c1Cl 34a_100000075557_200000210301 [0,1,0,1,0,0|2,0,0]=4 7125 B14R2.92 CNc1ccc2ccccc2c1O 34a_100000007060_200000210301 [0,1,0,1,0,0|1,0,1]=4 7126 B14R2.92 COc1ccc2ccccc2c1Br 34a_100000183829_200000210301 [0,1,0,1,0,0|1,0,0]=3 7127 B14R2.92 COc1ccc2ccccc2c1Br 7a_100000183829_200000210301 [0,1,0,1,0,0|1,0,0]=3 7128 B14R2.92 COc1ccc2ccccc2c1C 34a_100009830054_200000210301 [0,1,0,1,0,0|1,0,0]=3 7129 B14R2.92 COc1ccc2ccccc2c1C 7a_100009830054_200000210301 [0,1,0,1,0,0|1,0,0]=3 7130 B14R2.92 COc1ccc2ccccc2c1Cl 34a_100000029778_200000210301 [0,1,0,1,0,0|1,0,0]=3 7131 B14R2.92 COc1ccc2ccccc2c1Cl 7a_100000029778_200000210301 [0,1,0,1,0,0|1,0,0]=3 7132 B14R2.92 COc1ccc2ccccc2c1I 34a_100000041551_200000210301 [0,1,0,1,0,0|1,0,0]=3 7133 B14R2.92 COc1ccc2ccccc2c1I 7a_100000041551_200000210301 [0,1,0,1,0,0|1,0,0]=3 7134 B14R2.92 COc1ccc2ccccc2c1N 34a_100000007056_200000210301 [0,1,0,1,0,0|1,0,0]=3 7135 B14R2.92 COc1ccc2ccccc2c1N 7a_100000007056_200000210301 [0,1,0,1,0,0|1,0,0]=3 7136 B14R2.92 COc1ccc2ccccc2c1O 271570a_203496583355_100000173347 [0,1,0,1,0,0|0,0,1]=3 7137 B14R2.92 COc1ccc2cccnc2c1Br 34a_100010173343_200000210301 [0,1,0,1,0,0|2,0,0]=4 7138 B14R2.92 COc1ccc2cccnc2c1Br 7a_100010173343_200000210301 [0,1,0,1,0,0|2,0,0]=4 7139 B14R2.92 COc1ccc2cccnc2c1O 271570a_203496583355_100010071576 [0,1,0,1,0,0|1,0,1]=4 7140 B14R2.92 COc1ccc2ccncc2c1Br 34a_200010115057_200000210301 [0,1,0,1,0,0|2,0,0]=4 7141 B14R2.92 COc1ccc2ccncc2c1Br 7a_200010115057_200000210301 [0,1,0,1,0,0|2,0,0]=4 7142 B14R2.92 COc1ccc2cnccc2c1Cl 34a_100009824633_200000210301 [0,1,0,1,0,0|2,0,0]=4 7143 B14R2.92 COc1ccc2cnccc2c1Cl 7a_100009824633_200000210301 [0,1,0,1,0,0|2,0,0]=4 7144 B14R2.92 CSc1c[nH]c2ccccc2c1=O 62a_200000210301_100012348052 [0,1,0,1,0,0|1,1,0]=4 7145 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200000210301_200010089984 [0,1,0,1,0,0|1,1,0]=4 7146 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200010089984_200000210301 [0,1,0,1,0,0|1,1,0]=4 7147 B14R2.92 CSc1ccc2ccccc2c1C 62a_100010221197_200000210301 [0,1,0,1,0,0|1,1,0]=4 7148 B14R2.92 CSc1ccc2ccccc2c1C 62a_200000210301_100010221197 [0,1,0,1,0,0|1,1,0]=4 7149 B14R2.92 CSc1ccc2ccccc2c1F 62a_100009832041_200000210301 [0,1,0,1,0,0|1,1,0]=4 7150 B14R2.92 CSc1ccc2ccccc2c1F 62a_200000210301_100009832041 [0,1,0,1,0,0|1,1,0]=4 7151 B14R2.92 CSc1ccc2ccccc2c1N 62a_100009817101_200000210301 [0,1,0,1,0,0|1,1,0]=4 7152 B14R2.92 CSc1ccc2ccccc2c1O 62a_200000210301_100009996032 [0,1,0,1,0,0|0,1,1]=4 7153 B14R2.92 CSc1coc2ccccc2c1=O 62a_200000210301_100009813851 [0,1,0,1,0,0|1,1,0]=4 7154 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 34a_100009830054_200025704644 [0,1,0,1,0,0|1,0,0]=3 7155 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 7a_100009830054_200025704644 [0,1,0,1,0,0|1,0,0]=3 7156 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_100010221197_200025704644 [0,1,0,1,0,0|1,1,0]=4 7157 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_200025704644_100010221197 [0,1,0,1,0,0|1,1,0]=4 7158 B14R2.92 O=Cc1ccc2ccccc2c1O 271570a_203496583355_100009813496 [0,1,0,1,0,0|2,0,0]=4 7159 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Br 34a_100000705303_200025704644 [0,1,0,1,0,0|2,0,0]=4 7160 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Cl 34a_100000075557_200025704644 [0,1,0,1,0,0|2,0,0]=4 7161 B14R2.92 [13CH3]Nc1ccc2ccccc2c1O 34a_100000007060_200025704644 [0,1,0,1,0,0|1,0,1]=4 7162 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 34a_100000183829_200025704644 [0,1,0,1,0,0|1,0,0]=3 7163 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 7a_100000183829_200025704644 [0,1,0,1,0,0|1,0,0]=3 7164 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 34a_100000029778_200025704644 [0,1,0,1,0,0|1,0,0]=3 7165 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 7a_100000029778_200025704644 [0,1,0,1,0,0|1,0,0]=3 7166 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 34a_100000041551_200025704644 [0,1,0,1,0,0|1,0,0]=3 7167 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 7a_100000041551_200025704644 [0,1,0,1,0,0|1,0,0]=3 7168 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 34a_100000007056_200025704644 [0,1,0,1,0,0|1,0,0]=3 7169 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 7a_100000007056_200025704644 [0,1,0,1,0,0|1,0,0]=3 7170 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 34a_100010173343_200025704644 [0,1,0,1,0,0|2,0,0]=4 7171 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 7a_100010173343_200025704644 [0,1,0,1,0,0|2,0,0]=4 7172 B14R2.92 [13CH3]Oc1ccc2ccncc2c1Br 34a_200010115057_200025704644 [0,1,0,1,0,0|2,0,0]=4 7173 B14R2.92 [13CH3]Oc1ccc2ccncc2c1Br 7a_200010115057_200025704644 [0,1,0,1,0,0|2,0,0]=4 7174 B14R2.92 [13CH3]Oc1ccc2cnccc2c1Cl 34a_100009824633_200025704644 [0,1,0,1,0,0|2,0,0]=4 7175 B14R2.92 [13CH3]Oc1ccc2cnccc2c1Cl 7a_100009824633_200025704644 [0,1,0,1,0,0|2,0,0]=4 7176 B14R2.92 [13CH3]Sc1c[nH]c2ccccc2c1=O 62a_200025704644_100012348052 [0,1,0,1,0,0|1,1,0]=4 7177 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200010089984_200025704644 [0,1,0,1,0,0|1,1,0]=4 7178 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200025704644_200010089984 [0,1,0,1,0,0|1,1,0]=4 7179 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_100009832041_200025704644 [0,1,0,1,0,0|1,1,0]=4 7180 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_200025704644_100009832041 [0,1,0,1,0,0|1,1,0]=4 7181 B14R2.92 [13CH3]Sc1ccc2ccccc2c1N 62a_100009817101_200025704644 [0,1,0,1,0,0|1,1,0]=4 7182 B14R2.92 [13CH3]Sc1ccc2ccccc2c1O 62a_200025704644_100009996032 [0,1,0,1,0,0|0,1,1]=4 7183 B14R2.92 [13CH3]Sc1coc2ccccc2c1=O 62a_200025704644_100009813851 [0,1,0,1,0,0|1,1,0]=4 7184 B14R2.256 C[n+]1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000212160 [0,1,0,1,0,0|2,0,0]=4 7185 B14R2.256 Cc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000210755 [0,1,0,1,0,0|1,0,0]=3 7186 B14R2.256 Cc1cccnc1C2=CC(=O)CC2 271570a_100010737933_100000751373 [0,1,0,1,0,0|2,0,0]=4 7187 B14R2.256 Cc1ccncc1C2=CC(=O)CC2 271570a_100010737933_100000761580 [0,1,0,1,0,0|2,0,0]=4 7188 B14R2.256 Cc1cnccc1C2=CC(=O)CC2 271570a_100010737933_100015191297 [0,1,0,1,0,0|2,0,0]=4 7189 B14R2.256 Cc1ncccc1C2=CC(=O)CC2 271570a_100010737933_100000751574 [0,1,0,1,0,0|2,0,0]=4 7190 B14R2.256 Nc1cc(no1)c2ccccc2O 271570a_203496583355_100000751793 [0,1,0,1,0,0|2,0,0]=4 7191 B14R2.256 Nc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000210017 [0,1,0,1,0,0|1,0,0]=3 7192 B14R2.256 Nc1cccnc1C2=CC(=O)CC2 271570a_100010737933_100000688686 [0,1,0,1,0,0|2,0,0]=4 7193 B14R2.256 Nc1ccncc1C2=CC(=O)CC2 271570a_100010737933_100000047001 [0,1,0,1,0,0|2,0,0]=4 7194 B14R2.256 Nc1cnccc1C2=CC(=O)CC2 271570a_100010737933_100009815883 [0,1,0,1,0,0|2,0,0]=4 7195 B14R2.256 Nc1ncccc1C2=CC(=O)CC2 271570a_100010737933_100000045569 [0,1,0,1,0,0|2,0,0]=4 7196 B14R2.256 O=C1C=C(CC1)c2c[nH]ccc2=O 271570a_100010737933_100009998708 [0,1,0,1,0,0|2,0,0]=4 7197 B14R2.256 O=C1C=C(CC1)c2c[nH]ccc2=S 271570a_100010737933_200012280681 [0,1,0,1,0,0|2,0,0]=4 7198 B14R2.256 O=C1C=C(CC1)c2ccc[nH]c2=O 271570a_100010737933_100000050042 [0,1,0,1,0,0|2,0,0]=4 7199 B14R2.256 O=C1C=C(CC1)c2cccc[n+]2[O-] 271570a_100010737933_200000042595 [0,1,0,1,0,0|2,0,0]=4 7200 B14R2.256 O=C1C=C(CC1)c2ccccc2Br 271570a_100010737933_100000695589 [0,1,0,1,0,0|1,0,0]=3 7201 B14R2.256 O=C1C=C(CC1)c2ccccc2Cl 271570a_100010737933_100000764095 [0,1,0,1,0,0|1,0,0]=3 7202 B14R2.256 O=C1C=C(CC1)c2ccccc2F 271570a_100010737933_100011215700 [0,1,0,1,0,0|1,0,0]=3 7203 B14R2.256 O=C1C=C(CC1)c2ccccc2O 271570a_100010737933_100000739446 [0,1,0,1,0,0|1,0,0]=3 7204 B14R2.256 O=C1C=C(CC1)c2cccnc2Br 271570a_100010737933_100010202626 [0,1,0,1,0,0|2,0,0]=4 7205 B14R2.256 O=C1C=C(CC1)c2cccnc2Cl 271570a_100010737933_100000036424 [0,1,0,1,0,0|2,0,0]=4 7206 B14R2.256 O=C1C=C(CC1)c2cccnc2F 271570a_100010737933_100009816115 [0,1,0,1,0,0|2,0,0]=4 7207 B14R2.256 O=C1C=C(CC1)c2ccncc2Br 271570a_100010737933_100000726257 [0,1,0,1,0,0|2,0,0]=4 7208 B14R2.256 O=C1C=C(CC1)c2ccncc2Cl 271570a_100010737933_100000708259 [0,1,0,1,0,0|2,0,0]=4 7209 B14R2.256 O=C1C=C(CC1)c2ccncc2F 271570a_100010737933_100000047030 [0,1,0,1,0,0|2,0,0]=4 7210 B14R2.256 O=C1C=C(CC1)c2ccncc2O 271570a_100010737933_100009817591 [0,1,0,1,0,0|2,0,0]=4 7211 B14R2.256 O=C1C=C(CC1)c2cnccc2Br 271570a_100010737933_100010138639 [0,1,0,1,0,0|2,0,0]=4 7212 B14R2.256 O=C1C=C(CC1)c2cnccc2Cl 271570a_100010737933_100009995489 [0,1,0,1,0,0|2,0,0]=4 7213 B14R2.256 O=C1C=C(CC1)c2cnccc2F 271570a_100010737933_100009820683 [0,1,0,1,0,0|2,0,0]=4 7214 B14R2.256 O=C1C=C(CC1)c2ncccc2Br 271570a_100010737933_100000696092 [0,1,0,1,0,0|2,0,0]=4 7215 B14R2.256 O=C1C=C(CC1)c2ncccc2Cl 271570a_100010737933_100011356963 [0,1,0,1,0,0|2,0,0]=4 7216 B14R2.256 O=C1C=C(CC1)c2ncccc2F 271570a_100010737933_100000685392 [0,1,0,1,0,0|2,0,0]=4 7217 B14R2.256 O=C1C=C(CC1)c2ncccc2O 271570a_100010737933_100000034122 [0,1,0,1,0,0|2,0,0]=4 7218 B14R2.1801 CNc1ccc2c(cccc2c1)O 34a_100000035793_200000210301 [0,1,0,1,0,0|2,0,0]=4 7219 B14R2.1801 CNc1ccc2c(cccc2c1)O 7a_100000035793_200000210301 [0,1,0,1,0,0|2,0,0]=4 7220 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200000210301 [0,1,0,1,0,0|2,0,0]=4 7221 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200000210301 [0,1,0,1,0,0|2,0,0]=4 7222 B14R2.1801 COc1ccc2c(=O)ccoc2c1 34a_200000065989_200000210301 [0,1,0,1,0,0|2,0,0]=4 7223 B14R2.1801 COc1ccc2c(=O)ccoc2c1 7a_200000065989_200000210301 [0,1,0,1,0,0|2,0,0]=4 7224 B14R2.1801 COc1ccc2c(cccc2c1)N 34a_100000034668_200000210301 [0,1,0,1,0,0|1,0,0]=3 7225 B14R2.1801 COc1ccc2c(cccc2c1)N 7a_100000034668_200000210301 [0,1,0,1,0,0|1,0,0]=3 7226 B14R2.1801 COc1ccc2c(cccc2c1)O 271570a_203496583355_100010151670 [0,1,0,1,0,0|1,0,0]=3 7227 B14R2.1801 COc1ccc2c(ccnc2c1)Br 34a_100010204257_200000210301 [0,1,0,1,0,0|2,0,0]=4 7228 B14R2.1801 COc1ccc2c(ccnc2c1)Br 7a_100010204257_200000210301 [0,1,0,1,0,0|2,0,0]=4 7229 B14R2.1801 COc1ccc2c(ccnc2c1)C 34a_200009854145_200000210301 [0,1,0,1,0,0|2,0,0]=4 7230 B14R2.1801 COc1ccc2c(ccnc2c1)C 7a_200009854145_200000210301 [0,1,0,1,0,0|2,0,0]=4 7231 B14R2.1801 COc1ccc2c(ccnc2c1)Cl 34a_100000045489_200000210301 [0,1,0,1,0,0|2,0,0]=4 7232 B14R2.1801 COc1ccc2c(ccnc2c1)Cl 7a_100000045489_200000210301 [0,1,0,1,0,0|2,0,0]=4 7233 B14R2.1801 COc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045488 [0,1,0,1,0,0|2,0,0]=4 7234 B14R2.1801 COc1ccc2c(nccc2c1)Cl 34a_100009867704_200000210301 [0,1,0,1,0,0|2,0,0]=4 7235 B14R2.1801 COc1ccc2c(nccc2c1)Cl 7a_100009867704_200000210301 [0,1,0,1,0,0|2,0,0]=4 7236 B14R2.1801 COc1ccc2c(nccc2c1)O 271570a_203496583355_100000084302 [0,1,0,1,0,0|2,0,0]=4 7237 B14R2.1801 COc1cnc2c(cccc2c1)F 34a_100012184956_200000210301 [0,1,0,1,0,0|2,0,0]=4 7238 B14R2.1801 COc1cnc2c(cccc2c1)F 7a_100012184956_200000210301 [0,1,0,1,0,0|2,0,0]=4 7239 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_100010090037_200000210301 [0,1,0,1,0,0|1,1,0]=4 7240 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_200000210301_100010090037 [0,1,0,1,0,0|1,1,0]=4 7241 B14R2.1801 CSc1ccc2c(cccc2c1)O 62a_200000210301_100010202202 [0,1,0,1,0,0|1,1,0]=4 7242 B14R2.1801 Cc1ccnc2c1ccc(c2)O[13CH3] 34a_200009854145_200025704644 [0,1,0,1,0,0|2,0,0]=4 7243 B14R2.1801 Cc1ccnc2c1ccc(c2)O[13CH3] 7a_200009854145_200025704644 [0,1,0,1,0,0|2,0,0]=4 7244 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 34a_100000035793_200025704644 [0,1,0,1,0,0|2,0,0]=4 7245 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 7a_100000035793_200025704644 [0,1,0,1,0,0|2,0,0]=4 7246 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200025704644 [0,1,0,1,0,0|2,0,0]=4 7247 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200025704644 [0,1,0,1,0,0|2,0,0]=4 7248 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 34a_200000065989_200025704644 [0,1,0,1,0,0|2,0,0]=4 7249 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 7a_200000065989_200025704644 [0,1,0,1,0,0|2,0,0]=4 7250 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 34a_100000034668_200025704644 [0,1,0,1,0,0|1,0,0]=3 7251 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 7a_100000034668_200025704644 [0,1,0,1,0,0|1,0,0]=3 7252 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Br 34a_100010204257_200025704644 [0,1,0,1,0,0|2,0,0]=4 7253 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Br 7a_100010204257_200025704644 [0,1,0,1,0,0|2,0,0]=4 7254 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Cl 34a_100000045489_200025704644 [0,1,0,1,0,0|2,0,0]=4 7255 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Cl 7a_100000045489_200025704644 [0,1,0,1,0,0|2,0,0]=4 7256 B14R2.1801 [13CH3]Oc1ccc2c(nccc2c1)Cl 34a_100009867704_200025704644 [0,1,0,1,0,0|2,0,0]=4 7257 B14R2.1801 [13CH3]Oc1ccc2c(nccc2c1)Cl 7a_100009867704_200025704644 [0,1,0,1,0,0|2,0,0]=4 7258 B14R2.1801 [13CH3]Oc1cnc2c(cccc2c1)F 34a_100012184956_200025704644 [0,1,0,1,0,0|2,0,0]=4 7259 B14R2.1801 [13CH3]Oc1cnc2c(cccc2c1)F 7a_100012184956_200025704644 [0,1,0,1,0,0|2,0,0]=4 7260 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_100010090037_200025704644 [0,1,0,1,0,0|1,1,0]=4 7261 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_200025704644_100010090037 [0,1,0,1,0,0|1,1,0]=4 7262 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)O 62a_200025704644_100010202202 [0,1,0,1,0,0|1,1,0]=4 7263 B10R0.18 C=CC=CC(=O)CC(=O)OC 1458a_100016291481_100000747449 [0,0,1,0,1,0|1,0,1]=4 7264 B10R1.21 COCC=Cc1ccco1 271570a_100016286323_100009814098 [1,0,0,0,1,0|1,0,1]=4 7265 B10R1.21 COCC=Cc1cccs1 271570a_100016286323_100011215356 [1,0,0,0,1,0|1,0,1]=4 7266 B10R1.21 COCC=Cc1ccoc1 271570a_100016286323_100011215275 [1,0,0,0,1,0|1,0,1]=4 7267 B10R1.21 COCC=Cc1ccsc1 271570a_100016286323_100000738268 [1,0,0,0,1,0|1,0,1]=4 7268 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,1,0|1,0,0]=3 7269 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [1,0,0,0,1,0|2,0,0]=4 7270 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [1,0,0,0,1,0|2,0,0]=4 7271 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [1,0,0,0,1,0|2,0,0]=4 7272 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,0,0,0,1,0|1,0,1]=4 7273 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,1,0|0,0,1]=3 7274 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,1,0|1,0,1]=4 7275 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,1,0|1,0,1]=4 7276 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,1,0|1,0,1]=4 7277 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,1,0|1,0,1]=4 7278 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,0,0,0,1,0|1,0,1]=4 7279 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,1,0|1,0,0]=3 7280 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,1,0|1,0,0]=3 7281 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,1,0|1,0,0]=3 7282 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,1,0|1,0,0]=3 7283 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,0,0,0,1,0|1,0,1]=4 7284 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,1,0|1,0,1]=4 7285 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,1,0|1,0,1]=4 7286 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [1,0,0,0,1,0|2,0,0]=4 7287 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [1,0,0,0,1,0|1,0,0]=3 7288 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [1,0,0,0,1,0|1,0,0]=3 7289 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [1,0,0,0,1,0|1,0,0]=3 7290 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [1,0,0,0,1,0|2,0,0]=4 7291 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [1,0,0,0,1,0|2,0,0]=4 7292 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [1,0,0,0,1,0|2,0,0]=4 7293 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [1,0,0,0,1,0|1,0,0]=3 7294 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [1,0,0,0,1,0|1,0,0]=3 7295 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [1,0,0,0,1,0|1,0,0]=3 7296 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [1,0,0,0,1,0|2,0,0]=4 7297 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [1,0,0,0,1,0|2,0,0]=4 7298 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,0,0,0,2,0|1,0,0]=3 7299 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,0,0,0,2,0|1,0,0]=3 7300 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,0,0,0,2,0|1,0,0]=3 7301 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,0,0,0,2,0|1,0,0]=3 7302 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,0,0,0,2,0|1,0,0]=3 7303 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,0,0,0,2,0|1,0,1]=4 7304 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,0,0,0,2,0|1,0,1]=4 7305 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,0,0,0,2,0|1,0,1]=4 7306 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,0,0,0,2,0|1,0,1]=4 7307 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,0,0,0,2,0|1,0,1]=4 7308 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,0,0,0,2,0|2,0,0]=4 7309 B14R1.716 C=CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000185746 [0,0,0,0,0,2|1,0,1]=4 7310 B14R1.716 C=CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_200121576911 [0,0,0,0,0,2|1,0,1]=4 7311 B14R1.716 CCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000210202 [0,0,0,0,0,2|1,0,0]=3 7312 B14R1.716 CCC(=O)C=CCCc1ccccc1 1458a_100016484021_100000210202 [0,0,0,0,0,2|1,0,0]=3 7313 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000210414 [0,0,0,0,0,2|1,0,0]=3 7314 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000210414 [0,0,0,0,0,2|1,0,0]=3 7315 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000210414 [0,0,0,0,0,2|1,0,0]=3 7316 B14R1.716 CCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000210414 [0,0,0,0,0,2|1,0,0]=3 7317 B14R1.716 CCC(=O)NN=CCc1ccccc1 4a_100000183195_100000209964 [0,0,0,0,0,2|1,0,1]=4 7318 B14R1.716 CNC(=O)C=C/C=C/c1ccccc1 1626a_100102657272_100016289705 [0,0,0,0,0,2|1,0,0]=3 7319 B14R1.716 CNC(=O)C=CCCc1ccccc1 11a_106832991635_100016484021 [0,0,0,0,0,2|1,0,0]=3 7320 B14R1.716 CNC(=O)C=CCCc1ccccc1 1626a_100102657272_100016484021 [0,0,0,0,0,2|1,0,0]=3 7321 B14R1.716 CNC(=O)C=CCCc1ccccc1 240690a_100102657272_100016484021 [0,0,0,0,0,2|1,0,0]=3 7322 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_106832991635 [0,0,0,0,0,2|1,0,0]=3 7323 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 2708a_100102657272_100020603302 [0,0,0,0,0,2|1,0,0]=3 7324 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100102657272 [0,0,0,0,0,2|1,0,0]=3 7325 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 273464a_100102657272_100020603302 [0,0,0,0,0,2|1,0,0]=3 7326 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100102657272 [0,0,0,0,0,2|1,0,0]=3 7327 B14R1.716 CNC(=O)NC/C=C/c1ccccc1 512a_106832991638_100020603302 [0,0,0,0,0,2|1,0,0]=3 7328 B14R1.716 COC(=O)/C=C/CNc1ccccc1 34a_100000106764_100000742655 [0,0,0,0,0,2|0,0,0]=2 7329 B14R1.716 COC(=O)/C=C/COc1ccccc1 34a_100000210340_100000742655 [0,0,0,0,0,2|0,0,0]=2 7330 B14R1.716 COC(=O)/C=C/COc1ccccc1 7a_100000210340_100000742655 [0,0,0,0,0,2|0,0,0]=2 7331 B14R1.716 COC(=O)/C=C/COc1cccnc1 34a_100000210849_100000742655 [0,0,0,0,0,2|1,0,0]=3 7332 B14R1.716 COC(=O)/C=C/COc1cccnc1 7a_100000210849_100000742655 [0,0,0,0,0,2|1,0,0]=3 7333 B14R1.716 COC(=O)/C=C/COc1ccncc1 34a_100000212176_100000742655 [0,0,0,0,0,2|1,0,0]=3 7334 B14R1.716 COC(=O)/C=C/COc1ccnnc1 34a_100015204005_100000742655 [0,0,0,0,0,2|2,0,0]=4 7335 B14R1.716 COC(=O)/C=C/COc1cncnc1 7a_100000754086_100000742655 [0,0,0,0,0,2|2,0,0]=4 7336 B14R1.716 COC(=O)/C=C/CSc1ccccc1 62a_100000719477_100000742655 [0,0,0,0,0,2|0,0,0]=2 7337 B14R1.716 COC(=O)/C=C/CSc1ccccc1 62a_100000742655_100000041952 [0,0,0,0,0,2|0,0,0]=2 7338 B14R1.716 COC(=O)/C=C/CSc1ccccn1 62a_100000742655_100011216584 [0,0,0,0,0,2|1,0,0]=3 7339 B14R1.716 COC(=O)/C=C/CSc1ccccn1 62a_100011216584_100000742655 [0,0,0,0,0,2|1,0,0]=3 7340 B14R1.716 COC(=O)/C=C/CSc1cccnc1 62a_100000210063_100000742655 [0,0,0,0,0,2|1,0,0]=3 7341 B14R1.716 COC(=O)/C=C/CSc1cccnc1 62a_100000742655_100000210063 [0,0,0,0,0,2|1,0,0]=3 7342 B14R1.716 COC(=O)/C=C/CSc1cccnn1 62a_100000742655_100016991348 [0,0,0,0,0,2|2,0,0]=4 7343 B14R1.716 COC(=O)/C=C/CSc1cccnn1 62a_100016991348_100000742655 [0,0,0,0,0,2|2,0,0]=4 7344 B14R1.716 COC(=O)/C=C/CSc1ccncc1 62a_100000728582_100000742655 [0,0,0,0,0,2|1,0,0]=3 7345 B14R1.716 COC(=O)/C=C/CSc1ccncc1 62a_100000742655_100000728582 [0,0,0,0,0,2|1,0,0]=3 7346 B14R1.716 COC(=O)/C=C/CSc1ccncn1 62a_100000703185_100000742655 [0,0,0,0,0,2|2,0,0]=4 7347 B14R1.716 COC(=O)/C=C/CSc1ccncn1 62a_100000742655_100000703185 [0,0,0,0,0,2|2,0,0]=4 7348 B14R1.716 COC(=O)/C=C/CSc1ccnnc1 62a_100000732662_100000742655 [0,0,0,0,0,2|2,0,0]=4 7349 B14R1.716 COC(=O)/C=C/CSc1ccnnc1 62a_100000742655_100000732662 [0,0,0,0,0,2|2,0,0]=4 7350 B14R1.716 COC(=O)/C=C/CSc1cnccn1 62a_100000211759_100000742655 [0,0,0,0,0,2|2,0,0]=4 7351 B14R1.716 COC(=O)/C=C/CSc1cnccn1 62a_100000742655_100000211759 [0,0,0,0,0,2|2,0,0]=4 7352 B14R1.716 COC(=O)/C=C/CSc1cncnc1 62a_100000742655_100011206942 [0,0,0,0,0,2|2,0,0]=4 7353 B14R1.716 COC(=O)/C=C/CSc1cncnc1 62a_100011206942_100000742655 [0,0,0,0,0,2|2,0,0]=4 7354 B14R1.716 COC(=O)/C=C/CSc1ncccn1 62a_100000211032_100000742655 [0,0,0,0,0,2|2,0,0]=4 7355 B14R1.716 COC(=O)/C=C/CSc1ncccn1 62a_100000742655_100000211032 [0,0,0,0,0,2|2,0,0]=4 7356 B14R1.716 COC(=O)C=NNCc1ccccc1 4a_100000007032_200011823558 [0,0,0,0,0,2|0,0,1]=3 7357 B14R1.716 COC(=O)C=NNCc1ccccn1 4a_100000736832_200011823558 [0,0,0,0,0,2|1,0,1]=4 7358 B14R1.716 COC(=O)C=NNCc1cccnc1 4a_100000738295_200011823558 [0,0,0,0,0,2|1,0,1]=4 7359 B14R1.716 COC(=O)C=NNCc1ccncc1 4a_100000736929_200011823558 [0,0,0,0,0,2|1,0,1]=4 7360 B14R1.716 COC(=O)CC=NNc1ccccc1 4a_100015195140_200011552997 [0,0,0,0,0,2|0,0,1]=3 7361 B14R1.716 COC(=O)CC=NNc1ccccn1 4a_100000183288_200011552997 [0,0,0,0,0,2|1,0,1]=4 7362 B14R1.716 COC(=O)CC=NNc1cccnc1 4a_100000728903_200011552997 [0,0,0,0,0,2|1,0,1]=4 7363 B14R1.716 COC(=O)CC=NNc1ccncc1 4a_100000698918_200011552997 [0,0,0,0,0,2|1,0,1]=4 7364 B14R1.716 COC(=O)CCCNc1ccccc1 34a_100000106764_100000742333 [0,0,0,0,0,2|0,0,2]=4 7365 B14R1.716 COC(=O)CCCOc1ccccc1 34a_100000210340_100000742333 [0,0,0,0,0,2|0,0,2]=4 7366 B14R1.716 COC(=O)CCCOc1ccccc1 7a_100000210340_100011218270 [0,0,0,0,0,2|0,0,2]=4 7367 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100000719477_100011218270 [0,0,0,0,0,2|0,0,2]=4 7368 B14R1.716 COC(=O)CCCSc1ccccc1 62a_100011218270_100000041952 [0,0,0,0,0,2|0,0,2]=4 7369 B14R1.716 COC(=O)CCNCc1ccccc1 2230a_100015324214_100000204255 [0,0,0,0,0,2|0,0,2]=4 7370 B14R1.716 COC(=O)CCNCc1ccccc1 34a_100015324214_100000742370 [0,0,0,0,0,2|0,0,2]=4 7371 B14R1.716 COC(=O)CCOCc1ccccc1 34a_100000210790_100000742370 [0,0,0,0,0,2|0,0,2]=4 7372 B14R1.716 COC(=O)CCOCc1ccccc1 7a_100000210790_100000204255 [0,0,0,0,0,2|0,0,2]=4 7373 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000204255_100015291786 [0,0,0,0,0,2|0,0,2]=4 7374 B14R1.716 COC(=O)CCSCc1ccccc1 62a_100000211182_100000204255 [0,0,0,0,0,2|0,0,2]=4 7375 B14R1.716 COC(=O)CNCCc1ccccc1 2230a_100000106460_100000747449 [0,0,0,0,0,2|0,0,2]=4 7376 B14R1.716 COC(=O)CNCCc1ccccc1 34a_100000106460_100000747449 [0,0,0,0,0,2|0,0,2]=4 7377 B14R1.716 COC(=O)COCCc1ccccc1 34a_100000210268_100000747449 [0,0,0,0,0,2|0,0,2]=4 7378 B14R1.716 COC(=O)COCCc1ccccc1 7a_100000210268_100000747449 [0,0,0,0,0,2|0,0,2]=4 7379 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000747449_100011218657 [0,0,0,0,0,2|0,0,2]=4 7380 B14R1.716 COC(=O)CSCCc1ccccc1 62a_100000765856_100000747449 [0,0,0,0,0,2|0,0,2]=4 7381 B14R1.716 COC(=O)CSCSc1ccccc1 62a_100000747449_100011218342 [0,0,0,0,0,2|0,0,2]=4 7382 B14R1.716 COC(=O)CSCSc1ccccc1 62a_100011218342_100000747449 [0,0,0,0,0,2|0,0,2]=4 7383 B14R1.716 COC(=O)OCSCc1ccccc1 62a_100000211182_100000139417 [0,0,0,0,0,2|0,0,2]=4 7384 B14R1.716 COC(C)SC/C=C/c1ccccc1 62a_100009879195_100016265936 [0,0,0,0,0,2|1,0,1]=4 7385 B14R1.716 COC(C)SC/C=C/c1ccccc1 62a_100016265936_100009879195 [0,0,0,0,0,2|1,0,1]=4 7386 B14R1.716 O=C(C=C/C=C/c1ccccc1)CF 1458a_100016289705_100015361967 [0,0,0,0,0,2|2,0,0]=4 7387 B14R1.716 O=C(C=CCCc1ccccc1)CF 1458a_100016484021_100015361967 [0,0,0,0,0,2|2,0,0]=4 7388 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 240690a_100020603302_100000210174 [0,0,0,0,0,2|2,0,0]=4 7389 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 527a_100020603302_100000210174 [0,0,0,0,0,2|2,0,0]=4