0 B14R1.156 C#CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000753159 [0,0,0,0,0,0|1,0,2]=3 1 B14R1.156 C#CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000753159 [0,0,0,0,0,0|2,0,2]=4 2 B14R1.156 C#CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000753159 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.156 C#CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000753159 [0,0,0,0,0,0|2,0,2]=4 4 B14R1.156 C#CCNC(=O)C=Cc1ccccc1 11a_100000212058_100000210462 [0,0,0,0,0,0|1,0,2]=3 5 B14R1.156 C#CCNC(=O)C=Cc1ccccc1 1626a_100000212058_100000210462 [0,0,0,0,0,0|1,0,2]=3 6 B14R1.156 C#CCNC(=O)C=Cc1ccccn1 11a_100000212058_100000740811 [0,0,0,0,0,0|2,0,2]=4 7 B14R1.156 C#CCNC(=O)C=Cc1ccccn1 240690a_100000212058_100000740811 [0,0,0,0,0,0|2,0,2]=4 8 B14R1.156 C#CCNC(=O)C=Cc1cccnc1 11a_100000212058_100000735890 [0,0,0,0,0,0|2,0,2]=4 9 B14R1.156 C#CCNC(=O)C=Cc1cccnc1 240690a_100000212058_100000735890 [0,0,0,0,0,0|2,0,2]=4 10 B14R1.156 C#CCNC(=O)C=Cc1ccncc1 240690a_100000212058_100000682801 [0,0,0,0,0,0|2,0,2]=4 11 B14R1.156 C/C=C/CC(=O)C=Cc1ccccc1 1458a_100000210462_100102629194 [0,0,0,0,0,0|1,0,2]=3 12 B14R1.156 C/C=C/CC(=O)C=Cc1ccccn1 1458a_100000740811_100102629194 [0,0,0,0,0,0|2,0,2]=4 13 B14R1.156 C/C=C/CC(=O)C=Cc1cccnc1 1458a_100000735890_100102629194 [0,0,0,0,0,0|2,0,2]=4 14 B14R1.156 C/C=C/CC(=O)C=Cc1ccncc1 1458a_100000682801_100102629194 [0,0,0,0,0,0|2,0,2]=4 15 B14R1.156 C=CC=CC(=O)CCc1ccccc1 1458a_100016291481_100000765856 [0,0,0,0,0,0|1,0,3]=4 16 B14R1.156 C=CC=CC(=O)NCc1ccccc1 1626a_100015324214_100016291481 [0,0,0,0,0,0|2,0,2]=4 17 B14R1.156 C=CC=CC(=O)NNc1ccccc1 22a_100015195140_100016291481 [0,0,0,0,0,0|3,0,1]=4 18 B14R1.156 C=CCCC(=NNc1ccccc1)C 4a_100015195140_100000762624 [0,0,0,0,0,0|4,0,0]=4 19 B14R1.156 C=CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000754431 [0,0,0,0,0,0|1,0,2]=3 20 B14R1.156 C=CCCC(=O)C#Cc1ccccn1 1458a_102125277312_100000754431 [0,0,0,0,0,0|2,0,2]=4 21 B14R1.156 C=CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000754431 [0,0,0,0,0,0|1,0,0]=1 22 B14R1.156 C=CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000754431 [0,0,0,0,0,0|2,0,0]=2 23 B14R1.156 C=CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000754431 [0,0,0,0,0,0|2,0,0]=2 24 B14R1.156 C=CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000754431 [0,0,0,0,0,0|2,0,0]=2 25 B14R1.156 C=CCCC(=O)C=Cc1cncnc1 6a_100000749868_100000762624 [0,0,0,0,0,0|3,0,0]=3 26 B14R1.156 C=CCCC(=O)CCc1ccccc1 1458a_100000185753_100000754431 [0,0,0,0,0,0|1,0,2]=3 27 B14R1.156 C=CCCC(=O)CCc1ccccc1 1458a_100000749702_100000765856 [0,0,0,0,0,0|1,0,2]=3 28 B14R1.156 C=CCCC(=O)CCc1ccccn1 1458a_100000749702_100015183660 [0,0,0,0,0,0|2,0,2]=4 29 B14R1.156 C=CCCC(=O)CCc1ccccn1 1458a_100015195070_100000754431 [0,0,0,0,0,0|2,0,2]=4 30 B14R1.156 C=CCCC(=O)CCc1cccnc1 1458a_100000198484_100000754431 [0,0,0,0,0,0|2,0,2]=4 31 B14R1.156 C=CCCC(=O)CCc1cccnc1 1458a_100000749702_200011713674 [0,0,0,0,0,0|2,0,2]=4 32 B14R1.156 C=CCCC(=O)CCc1ccncc1 1458a_100000749702_100000723409 [0,0,0,0,0,0|2,0,2]=4 33 B14R1.156 C=CCCC(=O)CCc1ccncc1 1458a_100011225043_100000754431 [0,0,0,0,0,0|2,0,2]=4 34 B14R1.156 C=CCCC(=O)COc1ccccc1 1458a_100000186222_100000754431 [0,0,0,0,0,0|2,0,1]=3 35 B14R1.156 C=CCCC(=O)COc1ccccn1 1458a_100102699861_100000754431 [0,0,0,0,0,0|3,0,1]=4 36 B14R1.156 C=CCCC(=O)COc1cccnc1 1458a_100015207166_100000754431 [0,0,0,0,0,0|3,0,1]=4 37 B14R1.156 C=CCCC(=O)CSc1ccccc1 1458a_100000211596_100000754431 [0,0,0,0,0,0|2,0,1]=3 38 B14R1.156 C=CCCC(=O)CSc1ccccn1 1458a_100000156281_100000754431 [0,0,0,0,0,0|3,0,1]=4 39 B14R1.156 C=CCCC(=O)CSc1ccncc1 1458a_100000211328_100000754431 [0,0,0,0,0,0|3,0,1]=4 40 B14R1.156 C=CCCC(=O)NCc1ccccc1 11a_100015324214_100000749702 [0,0,0,0,0,0|2,0,1]=3 41 B14R1.156 C=CCCC(=O)NCc1ccccc1 1626a_100015324214_100000749702 [0,0,0,0,0,0|2,0,1]=3 42 B14R1.156 C=CCCC(=O)NCc1ccccc1 240690a_100015324214_100000749702 [0,0,0,0,0,0|2,0,1]=3 43 B14R1.156 C=CCCC(=O)NCc1ccccc1 527a_100015324214_100000749702 [0,0,0,0,0,0|2,0,1]=3 44 B14R1.156 C=CCCC(=O)NCc1ccccn1 11a_100000210449_100000749702 [0,0,0,0,0,0|3,0,1]=4 45 B14R1.156 C=CCCC(=O)NCc1ccccn1 1626a_100000210449_100000749702 [0,0,0,0,0,0|3,0,1]=4 46 B14R1.156 C=CCCC(=O)NCc1ccccn1 240690a_100000210449_100000749702 [0,0,0,0,0,0|3,0,1]=4 47 B14R1.156 C=CCCC(=O)NCc1ccccn1 527a_100000210449_100000749702 [0,0,0,0,0,0|3,0,1]=4 48 B14R1.156 C=CCCC(=O)NCc1cccnc1 11a_100000210453_100000749702 [0,0,0,0,0,0|3,0,1]=4 49 B14R1.156 C=CCCC(=O)NCc1cccnc1 240690a_100000210453_100000749702 [0,0,0,0,0,0|3,0,1]=4 50 B14R1.156 C=CCCC(=O)NCc1cccnc1 527a_100000210453_100000749702 [0,0,0,0,0,0|3,0,1]=4 51 B14R1.156 C=CCCC(=O)NCc1ccncc1 11a_100000210450_100000749702 [0,0,0,0,0,0|3,0,1]=4 52 B14R1.156 C=CCCC(=O)NCc1ccncc1 1626a_100000210450_100000749702 [0,0,0,0,0,0|3,0,1]=4 53 B14R1.156 C=CCCC(=O)NCc1ccncc1 240690a_100000210450_100000749702 [0,0,0,0,0,0|3,0,1]=4 54 B14R1.156 C=CCCC(=O)NCc1ccncc1 527a_100000210450_100000749702 [0,0,0,0,0,0|3,0,1]=4 55 B14R1.156 C=CCCC(=O)NNc1ccccc1 22a_100015195140_100000749702 [0,0,0,0,0,0|3,0,0]=3 56 B14R1.156 C=CCCC(=O)NNc1ccccn1 22a_100000183288_100000749702 [0,0,0,0,0,0|4,0,0]=4 57 B14R1.156 C=CCCC(=O)NNc1cccnc1 22a_100000728903_100000749702 [0,0,0,0,0,0|4,0,0]=4 58 B14R1.156 C=CCCC(=O)NNc1ccncc1 22a_100000698918_100000749702 [0,0,0,0,0,0|4,0,0]=4 59 B14R1.156 C=CCNC(=O)C#Cc1ccccc1 240690a_100020586998_100000736102 [0,0,0,0,0,0|1,0,2]=3 60 B14R1.156 C=CCNC(=O)C=Cc1ccccc1 1626a_100020586998_100000210462 [0,0,0,0,0,0|1,0,0]=1 61 B14R1.156 C=CCNC(=O)C=Cc1ccccn1 240690a_100020586998_100000740811 [0,0,0,0,0,0|2,0,0]=2 62 B14R1.156 C=CCNC(=O)C=Cc1cccnc1 240690a_100020586998_100000735890 [0,0,0,0,0,0|2,0,0]=2 63 B14R1.156 C=CCNC(=O)C=Cc1ccncc1 240690a_100020586998_100000682801 [0,0,0,0,0,0|2,0,0]=2 64 B14R1.156 C=CCNC(=O)CCc1ccccc1 1626a_100020586998_100000185753 [0,0,0,0,0,0|1,0,2]=3 65 B14R1.156 C=CCNC(=O)CCc1ccccc1 240690a_100020586998_100000185753 [0,0,0,0,0,0|1,0,2]=3 66 B14R1.156 C=CCNC(=O)CCc1ccccc1 527a_100020586998_100000185753 [0,0,0,0,0,0|1,0,2]=3 67 B14R1.156 C=CCNC(=O)CCc1ccccn1 240690a_100020586998_100015195070 [0,0,0,0,0,0|2,0,2]=4 68 B14R1.156 C=CCNC(=O)CCc1ccccn1 527a_100020586998_100015195070 [0,0,0,0,0,0|2,0,2]=4 69 B14R1.156 C=CCNC(=O)CCc1cccnc1 1626a_100020586998_100000198484 [0,0,0,0,0,0|2,0,2]=4 70 B14R1.156 C=CCNC(=O)CCc1cccnc1 240690a_100020586998_100000198484 [0,0,0,0,0,0|2,0,2]=4 71 B14R1.156 C=CCNC(=O)CCc1cccnc1 527a_100020586998_100000198484 [0,0,0,0,0,0|2,0,2]=4 72 B14R1.156 C=CCNC(=O)CCc1ccncc1 240690a_100020586998_100011225043 [0,0,0,0,0,0|2,0,2]=4 73 B14R1.156 C=CCNC(=O)CCc1ccncc1 527a_100020586998_100011225043 [0,0,0,0,0,0|2,0,2]=4 74 B14R1.156 C=CCNC(=O)COc1ccccc1 1626a_100020586998_100000186222 [0,0,0,0,0,0|2,0,1]=3 75 B14R1.156 C=CCNC(=O)COc1ccccc1 240690a_100020586998_100000186222 [0,0,0,0,0,0|2,0,1]=3 76 B14R1.156 C=CCNC(=O)COc1ccccc1 527a_100020586998_100000186222 [0,0,0,0,0,0|2,0,1]=3 77 B14R1.156 C=CCNC(=O)COc1ccccc1 7a_100000210340_100000183597 [0,0,0,0,0,0|2,0,1]=3 78 B14R1.156 C=CCNC(=O)COc1ccccn1 1626a_100020586998_100102699861 [0,0,0,0,0,0|3,0,1]=4 79 B14R1.156 C=CCNC(=O)COc1ccccn1 240690a_100020586998_100102699861 [0,0,0,0,0,0|3,0,1]=4 80 B14R1.156 C=CCNC(=O)COc1ccccn1 527a_100020586998_100102699861 [0,0,0,0,0,0|3,0,1]=4 81 B14R1.156 C=CCNC(=O)COc1cccnc1 1626a_100020586998_100015207166 [0,0,0,0,0,0|3,0,1]=4 82 B14R1.156 C=CCNC(=O)COc1cccnc1 240690a_100020586998_100015207166 [0,0,0,0,0,0|3,0,1]=4 83 B14R1.156 C=CCNC(=O)COc1cccnc1 527a_100020586998_100015207166 [0,0,0,0,0,0|3,0,1]=4 84 B14R1.156 C=CCNC(=O)COc1cccnc1 7a_100000210849_100000183597 [0,0,0,0,0,0|3,0,1]=4 85 B14R1.156 C=CCNC(=O)CSc1ccccc1 1626a_100020586998_100000211596 [0,0,0,0,0,0|2,0,1]=3 86 B14R1.156 C=CCNC(=O)CSc1ccccc1 240690a_100020586998_100000211596 [0,0,0,0,0,0|2,0,1]=3 87 B14R1.156 C=CCNC(=O)CSc1ccccc1 527a_100020586998_100000211596 [0,0,0,0,0,0|2,0,1]=3 88 B14R1.156 C=CCNC(=O)CSc1ccccc1 62a_100000183597_100000041952 [0,0,0,0,0,0|2,0,1]=3 89 B14R1.156 C=CCNC(=O)CSc1ccccc1 62a_100000719477_100000183597 [0,0,0,0,0,0|2,0,1]=3 90 B14R1.156 C=CCNC(=O)CSc1ccccn1 240690a_100020586998_100000156281 [0,0,0,0,0,0|3,0,1]=4 91 B14R1.156 C=CCNC(=O)CSc1ccccn1 527a_100020586998_100000156281 [0,0,0,0,0,0|3,0,1]=4 92 B14R1.156 C=CCNC(=O)CSc1ccccn1 62a_100000183597_100011216584 [0,0,0,0,0,0|3,0,1]=4 93 B14R1.156 C=CCNC(=O)CSc1ccccn1 62a_100011216584_100000183597 [0,0,0,0,0,0|3,0,1]=4 94 B14R1.156 C=CCNC(=O)CSc1cccnc1 62a_100000183597_100000210063 [0,0,0,0,0,0|3,0,1]=4 95 B14R1.156 C=CCNC(=O)CSc1cccnc1 62a_100000210063_100000183597 [0,0,0,0,0,0|3,0,1]=4 96 B14R1.156 C=CCNC(=O)CSc1ccncc1 1626a_100020586998_100000211328 [0,0,0,0,0,0|3,0,1]=4 97 B14R1.156 C=CCNC(=O)CSc1ccncc1 240690a_100020586998_100000211328 [0,0,0,0,0,0|3,0,1]=4 98 B14R1.156 C=CCNC(=O)CSc1ccncc1 527a_100020586998_100000211328 [0,0,0,0,0,0|3,0,1]=4 99 B14R1.156 C=CCNC(=O)CSc1ccncc1 62a_100000183597_100000728582 [0,0,0,0,0,0|3,0,1]=4 100 B14R1.156 C=CCNC(=O)CSc1ccncc1 62a_100000728582_100000183597 [0,0,0,0,0,0|3,0,1]=4 101 B14R1.156 C=CCNC(=O)NCc1ccccc1 2708a_100015324214_100020586998 [0,0,0,0,0,0|2,0,1]=3 102 B14R1.156 C=CCNC(=O)NCc1ccccc1 273464a_100015324214_100020586998 [0,0,0,0,0,0|2,0,1]=3 103 B14R1.156 C=CCNC(=O)NCc1ccccc1 273464a_100020586998_100015324214 [0,0,0,0,0,0|2,0,1]=3 104 B14R1.156 C=CCNC(=O)NCc1ccccc1 512a_100015324214_100020586998 [0,0,0,0,0,0|2,0,1]=3 105 B14R1.156 C=CCNC(=O)NCc1ccccc1 512a_100020586998_100015324214 [0,0,0,0,0,0|2,0,1]=3 106 B14R1.156 C=CCNC(=O)NCc1ccccn1 2708a_100000210449_100020586998 [0,0,0,0,0,0|3,0,1]=4 107 B14R1.156 C=CCNC(=O)NCc1ccccn1 273464a_100000210449_100020586998 [0,0,0,0,0,0|3,0,1]=4 108 B14R1.156 C=CCNC(=O)NCc1ccccn1 273464a_100020586998_100000210449 [0,0,0,0,0,0|3,0,1]=4 109 B14R1.156 C=CCNC(=O)NCc1ccccn1 512a_100020586998_100000210449 [0,0,0,0,0,0|3,0,1]=4 110 B14R1.156 C=CCNC(=O)NCc1cccnc1 2708a_100000210453_100020586998 [0,0,0,0,0,0|3,0,1]=4 111 B14R1.156 C=CCNC(=O)NCc1cccnc1 273464a_100000210453_100020586998 [0,0,0,0,0,0|3,0,1]=4 112 B14R1.156 C=CCNC(=O)NCc1cccnc1 273464a_100020586998_100000210453 [0,0,0,0,0,0|3,0,1]=4 113 B14R1.156 C=CCNC(=O)NCc1cccnc1 512a_100000210453_100020586998 [0,0,0,0,0,0|3,0,1]=4 114 B14R1.156 C=CCNC(=O)NCc1cccnc1 512a_100020586998_100000210453 [0,0,0,0,0,0|3,0,1]=4 115 B14R1.156 C=CCNC(=O)NCc1ccncc1 2708a_100000210450_100020586998 [0,0,0,0,0,0|3,0,1]=4 116 B14R1.156 C=CCNC(=O)NCc1ccncc1 273464a_100000210450_100020586998 [0,0,0,0,0,0|3,0,1]=4 117 B14R1.156 C=CCNC(=O)NCc1ccncc1 273464a_100020586998_100000210450 [0,0,0,0,0,0|3,0,1]=4 118 B14R1.156 C=CCNC(=O)NCc1ccncc1 512a_100020586998_100000210450 [0,0,0,0,0,0|3,0,1]=4 119 B14R1.156 C=CCNC(=O)NNc1ccccc1 273464a_100020586998_100015195140 [0,0,0,0,0,0|3,0,0]=3 120 B14R1.156 C=CCNC(=O)NNc1ccccc1 512a_100020586998_100015195140 [0,0,0,0,0,0|3,0,0]=3 121 B14R1.156 C=CCNC(=O)NNc1ccccn1 273464a_100020586998_100000183288 [0,0,0,0,0,0|4,0,0]=4 122 B14R1.156 C=CCNC(=O)NNc1ccccn1 512a_100020586998_100000183288 [0,0,0,0,0,0|4,0,0]=4 123 B14R1.156 C=CCNC(=O)NNc1cccnc1 273464a_100020586998_100000728903 [0,0,0,0,0,0|4,0,0]=4 124 B14R1.156 C=CCNC(=O)NNc1cccnc1 512a_100020586998_100000728903 [0,0,0,0,0,0|4,0,0]=4 125 B14R1.156 C=CCNC(=O)NNc1ccncc1 273464a_100020586998_100000698918 [0,0,0,0,0,0|4,0,0]=4 126 B14R1.156 C=CCNC(=O)NNc1ccncc1 512a_100020586998_100000698918 [0,0,0,0,0,0|4,0,0]=4 127 B14R1.156 C=CCOC(=O)CNc1ccccc1 34a_100000106764_100000033060 [0,0,0,0,0,0|1,0,1]=2 128 B14R1.156 C=CCOC(=O)COc1ccccc1 34a_100000210340_100000033060 [0,0,0,0,0,0|1,0,1]=2 129 B14R1.156 C=CCOC(=O)COc1ccccc1 7a_100000210340_100000033060 [0,0,0,0,0,0|1,0,1]=2 130 B14R1.156 C=CCOC(=O)COc1cccnc1 34a_100000210849_100000033060 [0,0,0,0,0,0|2,0,1]=3 131 B14R1.156 C=CCOC(=O)COc1cccnc1 7a_100000210849_100000033060 [0,0,0,0,0,0|2,0,1]=3 132 B14R1.156 C=CCOC(=O)COc1ccncc1 34a_100000212176_100000033060 [0,0,0,0,0,0|2,0,1]=3 133 B14R1.156 C=CCOC(=O)COc1ccnnc1 34a_100015204005_100000033060 [0,0,0,0,0,0|3,0,1]=4 134 B14R1.156 C=CCOC(=O)COc1cncnc1 7a_100000754086_100000033060 [0,0,0,0,0,0|3,0,1]=4 135 B14R1.156 C=CCOC(=O)CSc1ccccc1 62a_100000033060_100000041952 [0,0,0,0,0,0|1,0,1]=2 136 B14R1.156 C=CCOC(=O)CSc1ccccc1 62a_100000719477_100000033060 [0,0,0,0,0,0|1,0,1]=2 137 B14R1.156 C=CCOC(=O)CSc1ccccn1 62a_100000033060_100011216584 [0,0,0,0,0,0|2,0,1]=3 138 B14R1.156 C=CCOC(=O)CSc1ccccn1 62a_100011216584_100000033060 [0,0,0,0,0,0|2,0,1]=3 139 B14R1.156 C=CCOC(=O)CSc1cccnc1 62a_100000033060_100000210063 [0,0,0,0,0,0|2,0,1]=3 140 B14R1.156 C=CCOC(=O)CSc1cccnc1 62a_100000210063_100000033060 [0,0,0,0,0,0|2,0,1]=3 141 B14R1.156 C=CCOC(=O)CSc1cccnn1 62a_100000033060_100016991348 [0,0,0,0,0,0|3,0,1]=4 142 B14R1.156 C=CCOC(=O)CSc1cccnn1 62a_100016991348_100000033060 [0,0,0,0,0,0|3,0,1]=4 143 B14R1.156 C=CCOC(=O)CSc1ccncc1 62a_100000033060_100000728582 [0,0,0,0,0,0|2,0,1]=3 144 B14R1.156 C=CCOC(=O)CSc1ccncc1 62a_100000728582_100000033060 [0,0,0,0,0,0|2,0,1]=3 145 B14R1.156 C=CCOC(=O)CSc1ccncn1 62a_100000033060_100000703185 [0,0,0,0,0,0|3,0,1]=4 146 B14R1.156 C=CCOC(=O)CSc1ccncn1 62a_100000703185_100000033060 [0,0,0,0,0,0|3,0,1]=4 147 B14R1.156 C=CCOC(=O)CSc1ccnnc1 62a_100000033060_100000732662 [0,0,0,0,0,0|3,0,1]=4 148 B14R1.156 C=CCOC(=O)CSc1ccnnc1 62a_100000732662_100000033060 [0,0,0,0,0,0|3,0,1]=4 149 B14R1.156 C=CCOC(=O)CSc1cnccn1 62a_100000033060_100000211759 [0,0,0,0,0,0|3,0,1]=4 150 B14R1.156 C=CCOC(=O)CSc1cnccn1 62a_100000211759_100000033060 [0,0,0,0,0,0|3,0,1]=4 151 B14R1.156 C=CCOC(=O)CSc1cncnc1 62a_100000033060_100011206942 [0,0,0,0,0,0|3,0,1]=4 152 B14R1.156 C=CCOC(=O)CSc1cncnc1 62a_100011206942_100000033060 [0,0,0,0,0,0|3,0,1]=4 153 B14R1.156 C=CCOC(=O)CSc1ncccn1 62a_100000033060_100000211032 [0,0,0,0,0,0|3,0,1]=4 154 B14R1.156 C=CCOC(=O)CSc1ncccn1 62a_100000211032_100000033060 [0,0,0,0,0,0|3,0,1]=4 155 B14R1.156 C=CCOC(C)C#Cc1ccccc1 34a_200000065209_100015514636 [0,0,0,0,0,0|1,0,3]=4 156 B14R1.156 C=CCOC(C)C#Cc1ccccc1 7a_200000065209_100015514636 [0,0,0,0,0,0|1,0,3]=4 157 B14R1.156 C=CCOC(C)COc1ccccc1 34a_100000210911_100015514636 [0,0,0,0,0,0|2,0,2]=4 158 B14R1.156 C=CCOC(C)COc1ccccc1 7a_100000210911_100015514636 [0,0,0,0,0,0|2,0,2]=4 159 B14R1.156 C=CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100015514636 [0,0,0,0,0,0|1,0,3]=4 160 B14R1.156 C=CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100015514636 [0,0,0,0,0,0|1,0,3]=4 161 B14R1.156 CC#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000748600 [0,0,0,0,0,0|1,0,3]=4 162 B14R1.156 CC=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000070051 [0,0,0,0,0,0|1,0,2]=3 163 B14R1.156 CC=CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000070051 [0,0,0,0,0,0|2,0,2]=4 164 B14R1.156 CC=CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000070051 [0,0,0,0,0,0|2,0,2]=4 165 B14R1.156 CC=CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000070051 [0,0,0,0,0,0|2,0,2]=4 166 B14R1.156 CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210211 [0,0,0,0,0,0|1,0,2]=3 167 B14R1.156 CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210211 [0,0,0,0,0,0|2,0,2]=4 168 B14R1.156 CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210211 [0,0,0,0,0,0|2,0,2]=4 169 B14R1.156 CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210211 [0,0,0,0,0,0|2,0,2]=4 170 B14R1.156 CCCNC(=O)C=Cc1ccccc1 11a_100020643023_100000210462 [0,0,0,0,0,0|1,0,2]=3 171 B14R1.156 CCCNC(=O)C=Cc1ccccc1 1626a_100020643023_100000210462 [0,0,0,0,0,0|1,0,2]=3 172 B14R1.156 CCCNC(=O)C=Cc1ccccn1 11a_100020643023_100000740811 [0,0,0,0,0,0|2,0,2]=4 173 B14R1.156 CCCNC(=O)C=Cc1ccccn1 240690a_100020643023_100000740811 [0,0,0,0,0,0|2,0,2]=4 174 B14R1.156 CCCNC(=O)C=Cc1cccnc1 11a_100020643023_100000735890 [0,0,0,0,0,0|2,0,2]=4 175 B14R1.156 CCCNC(=O)C=Cc1cccnc1 240690a_100020643023_100000735890 [0,0,0,0,0,0|2,0,2]=4 176 B14R1.156 CCCNC(=O)C=Cc1ccncc1 240690a_100020643023_100000682801 [0,0,0,0,0,0|2,0,2]=4 177 B14R1.156 CCCOC(=O)CNc1ccccc1 34a_100000106764_200011215008 [0,0,0,0,0,0|1,0,3]=4 178 B14R1.156 CCCOC(=O)COc1ccccc1 34a_100000210340_200011215008 [0,0,0,0,0,0|1,0,3]=4 179 B14R1.156 CCCOC(=O)COc1ccccc1 7a_100000210340_200011215008 [0,0,0,0,0,0|1,0,3]=4 180 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_100000719477_200011215008 [0,0,0,0,0,0|1,0,3]=4 181 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_200011215008_100000041952 [0,0,0,0,0,0|1,0,3]=4 182 B14R1.156 CCNNC(=O)C=Cc1ccccc1 22a_100000756455_100000210462 [0,0,0,0,0,0|2,0,2]=4 183 B14R1.156 COCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000233755 [0,0,0,0,0,0|2,0,1]=3 184 B14R1.156 COCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000233755 [0,0,0,0,0,0|3,0,1]=4 185 B14R1.156 COCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000233755 [0,0,0,0,0,0|3,0,1]=4 186 B14R1.156 COCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000233755 [0,0,0,0,0,0|3,0,1]=4 187 B14R1.156 CSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000751147 [0,0,0,0,0,0|2,0,1]=3 188 B14R1.156 CSCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000751147 [0,0,0,0,0,0|3,0,1]=4 189 B14R1.156 CSCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000751147 [0,0,0,0,0,0|3,0,1]=4 190 B14R1.156 CSCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000751147 [0,0,0,0,0,0|3,0,1]=4 191 B14R1.156 N#CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215226 [0,0,0,0,0,0|2,0,1]=3 192 B14R1.156 N#CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215226 [0,0,0,0,0,0|3,0,1]=4 193 B14R1.156 N#CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215226 [0,0,0,0,0,0|3,0,1]=4 194 B14R1.156 N#CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215226 [0,0,0,0,0,0|3,0,1]=4 195 B14R1.156 N#CCNC(=O)C=Cc1ccccc1 1626a_100000734998_100000210462 [0,0,0,0,0,0|2,0,1]=3 196 B14R1.156 O=C(C=Cc1ccccc1)CCCF 1458a_100000210462_100011934791 [0,0,0,0,0,0|2,0,1]=3 197 B14R1.156 O=C(C=Cc1ccccc1)CCCO 1458a_100000210462_100011215043 [0,0,0,0,0,0|2,0,1]=3 198 B14R1.156 O=C(C=Cc1ccccc1)NCCF 11a_100000724931_100000210462 [0,0,0,0,0,0|2,0,1]=3 199 B14R1.156 O=C(C=Cc1ccccc1)NCCF 1626a_100000724931_100000210462 [0,0,0,0,0,0|2,0,1]=3 200 B14R1.156 O=C(C=Cc1ccccn1)CCCF 1458a_100000740811_100011934791 [0,0,0,0,0,0|3,0,1]=4 201 B14R1.156 O=C(C=Cc1ccccn1)CCCO 1458a_100000740811_100011215043 [0,0,0,0,0,0|3,0,1]=4 202 B14R1.156 O=C(C=Cc1ccccn1)NCCF 11a_100000724931_100000740811 [0,0,0,0,0,0|3,0,1]=4 203 B14R1.156 O=C(C=Cc1ccccn1)NCCF 240690a_100000724931_100000740811 [0,0,0,0,0,0|3,0,1]=4 204 B14R1.156 O=C(C=Cc1ccccn1)NCCO 240690a_100000210304_100000740811 [0,0,0,0,0,0|3,0,1]=4 205 B14R1.156 O=C(C=Cc1cccnc1)CCCF 1458a_100000735890_100011934791 [0,0,0,0,0,0|3,0,1]=4 206 B14R1.156 O=C(C=Cc1cccnc1)CCCO 1458a_100000735890_100011215043 [0,0,0,0,0,0|3,0,1]=4 207 B14R1.156 O=C(C=Cc1cccnc1)NCCF 11a_100000724931_100000735890 [0,0,0,0,0,0|3,0,1]=4 208 B14R1.156 O=C(C=Cc1cccnc1)NCCF 240690a_100000724931_100000735890 [0,0,0,0,0,0|3,0,1]=4 209 B14R1.156 O=C(C=Cc1cccnc1)NCCO 240690a_100000210304_100000735890 [0,0,0,0,0,0|3,0,1]=4 210 B14R1.156 O=C(C=Cc1ccncc1)CCCF 1458a_100000682801_100011934791 [0,0,0,0,0,0|3,0,1]=4 211 B14R1.156 O=C(C=Cc1ccncc1)CCCO 1458a_100000682801_100011215043 [0,0,0,0,0,0|3,0,1]=4 212 B14R1.156 O=C(C=Cc1ccncc1)NCCF 240690a_100000724931_100000682801 [0,0,0,0,0,0|3,0,1]=4 213 B14R1.156 O=C(C=Cc1ccncc1)NCCO 240690a_100000210304_100000682801 [0,0,0,0,0,0|3,0,1]=4 214 B13R1.28 BrCCOC/C=C/c1ccccc1 34a_100000211926_100016265936 [1,0,0,0,0,0|1,0,2]=4 215 B13R1.28 C#CCOC/C=C/c1ccccc1 34a_100000210247_100016265936 [1,0,0,0,0,0|0,0,3]=4 216 B13R1.28 C#CCOC/C=C/c1ccccc1 34a_100000210256_100000184674 [1,0,0,0,0,0|0,0,3]=4 217 B13R1.28 C=CCCC=NNc1ccccc1 4a_100015195140_100011216789 [1,0,0,0,0,0|3,0,0]=4 218 B13R1.28 C=CCNC/C=C/c1ccccc1 2230a_100020586998_100016265936 [1,0,0,0,0,0|1,0,1]=3 219 B13R1.28 C=CCNC/C=C/c1ccccc1 2230a_100020603302_100000210623 [1,0,0,0,0,0|1,0,1]=3 220 B13R1.28 C=CCNC/C=C/c1ccccc1 34a_100020603302_100015514636 [1,0,0,0,0,0|1,0,1]=3 221 B13R1.28 C=CCNCC=Cc1ccccc1 270004a_100020586998_100000210105 [1,0,0,0,0,0|1,0,1]=3 222 B13R1.28 C=CCOC/C=C/c1ccccc1 34a_100000210256_100015514636 [1,0,0,0,0,0|0,0,1]=2 223 B13R1.28 C=CCOC/C=C/c1ccccc1 34a_200000210373_100016265936 [1,0,0,0,0,0|0,0,1]=2 224 B13R1.28 C=CCOC/C=C/c1cccnc1 34a_200102594124_100015514636 [1,0,0,0,0,0|1,0,1]=3 225 B13R1.28 C=CCOCC#Cc1ccccc1 34a_100011217464_100015514636 [1,0,0,0,0,0|0,0,3]=4 226 B13R1.28 C=CCOCC#Cc1ccccc1 34a_200000210373_100011352542 [1,0,0,0,0,0|0,0,3]=4 227 B13R1.28 C=CCOCC#Cc1ccccc1 7a_100011217464_100015514636 [1,0,0,0,0,0|0,0,3]=4 228 B13R1.28 C=CCOCCCc1ccccc1 34a_100000210828_100015514636 [1,0,0,0,0,0|0,0,3]=4 229 B13R1.28 C=CCOCCCc1ccccc1 34a_200000210373_100000211621 [1,0,0,0,0,0|0,0,3]=4 230 B13R1.28 C=CCOCCCc1ccccc1 7a_100000210828_100015514636 [1,0,0,0,0,0|0,0,3]=4 231 B13R1.28 C=CCOCCNc1ccccc1 34a_100000211345_100015514636 [1,0,0,0,0,0|1,0,2]=4 232 B13R1.28 C=CCOCCOc1ccccc1 34a_100000210260_100015514636 [1,0,0,0,0,0|1,0,2]=4 233 B13R1.28 C=CCOCCOc1ccccc1 34a_200000210373_100000184471 [1,0,0,0,0,0|1,0,2]=4 234 B13R1.28 C=CCOCCOc1ccccc1 7a_100000210260_100015514636 [1,0,0,0,0,0|1,0,2]=4 235 B13R1.28 C=CCOCCSc1ccccc1 34a_200000210373_100000246102 [1,0,0,0,0,0|1,0,2]=4 236 B13R1.28 C=CCOCCSc1ccccc1 7a_100000230494_100015514636 [1,0,0,0,0,0|1,0,2]=4 237 B13R1.28 C=CCOCOCc1ccccc1 34a_200000210373_100000763385 [1,0,0,0,0,0|1,0,2]=4 238 B13R1.28 C=CCOCSCc1ccccc1 34a_200000210373_200011217039 [1,0,0,0,0,0|1,0,2]=4 239 B13R1.28 C=CCSC/C=C/c1ccccc1 62a_100000210623_100016265936 [1,0,0,0,0,0|0,1,1]=3 240 B13R1.28 C=CCSC/C=C/c1ccccc1 62a_100016265936_100000210623 [1,0,0,0,0,0|0,1,1]=3 241 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210256_100000210303 [1,0,0,0,0,0|0,0,3]=4 242 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210258_100016265936 [1,0,0,0,0,0|0,0,3]=4 243 B13R1.28 CSCOC/C=C/c1ccccc1 34a_100000210256_100011218213 [1,0,0,0,0,0|1,0,2]=4 244 B13R1.28 FCCOC/C=C/c1ccccc1 34a_100000210256_100011217306 [1,0,0,0,0,0|1,0,2]=4 245 B13R1.28 NCCOC/C=C/c1ccccc1 34a_100000210304_100016265936 [1,0,0,0,0,0|1,0,2]=4 246 B13R1.28 O=CCNC/C=C/c1ccccc1 2230a_100020603302_200015260668 [1,0,0,0,0,0|2,0,1]=4 247 B13R1.28 O=CCNC/C=C/c1ccccc1 34a_100020603302_200009817547 [1,0,0,0,0,0|2,0,1]=4 248 B13R1.28 O=CCOC/C=C/c1ccccc1 34a_100000210256_200009817547 [1,0,0,0,0,0|1,0,1]=3 249 B13R1.28 O=CCOC/C=C/c1cccnc1 34a_200102594124_200009817547 [1,0,0,0,0,0|2,0,1]=4 250 B13R1.28 O=CCSC/C=C/c1ccccc1 62a_100016265936_200015260668 [1,0,0,0,0,0|1,1,1]=4 251 B13R1.28 O=CCSC/C=C/c1ccccc1 62a_200015260668_100016265936 [1,0,0,0,0,0|1,1,1]=4 252 B13R1.28 OCCOC/C=C/c1ccccc1 34a_100000210256_100000211926 [1,0,0,0,0,0|1,0,2]=4 253 B13R1.42 C#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000184674 [1,0,0,0,0,0|0,0,2]=3 254 B13R1.42 C#CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000184674 [1,0,0,0,0,0|1,0,2]=4 255 B13R1.42 C#CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000184674 [1,0,0,0,0,0|1,0,2]=4 256 B13R1.42 C#CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000184674 [1,0,0,0,0,0|1,0,2]=4 257 B13R1.42 C=CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210623 [1,0,0,0,0,0|0,0,2]=3 258 B13R1.42 C=CCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210623 [1,0,0,0,0,0|1,0,2]=4 259 B13R1.42 C=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210623 [1,0,0,0,0,0|0,0,0]=1 260 B13R1.42 C=CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210623 [1,0,0,0,0,0|1,0,0]=2 261 B13R1.42 C=CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210623 [1,0,0,0,0,0|1,0,0]=2 262 B13R1.42 C=CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210623 [1,0,0,0,0,0|1,0,0]=2 263 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000185753_100000210623 [1,0,0,0,0,0|0,0,2]=3 264 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000210193_100000765856 [1,0,0,0,0,0|0,0,2]=3 265 B13R1.42 C=CCC(=O)CCc1ccccn1 1458a_100000210193_100015183660 [1,0,0,0,0,0|1,0,2]=4 266 B13R1.42 C=CCC(=O)CCc1ccccn1 1458a_100015195070_100000210623 [1,0,0,0,0,0|1,0,2]=4 267 B13R1.42 C=CCC(=O)CCc1cccnc1 1458a_100000198484_100000210623 [1,0,0,0,0,0|1,0,2]=4 268 B13R1.42 C=CCC(=O)CCc1cccnc1 1458a_100000210193_200011713674 [1,0,0,0,0,0|1,0,2]=4 269 B13R1.42 C=CCC(=O)CCc1ccncc1 1458a_100000210193_100000723409 [1,0,0,0,0,0|1,0,2]=4 270 B13R1.42 C=CCC(=O)CCc1ccncc1 1458a_100011225043_100000210623 [1,0,0,0,0,0|1,0,2]=4 271 B13R1.42 C=CCC(=O)COc1ccccc1 1458a_100000186222_100000210623 [1,0,0,0,0,0|1,0,1]=3 272 B13R1.42 C=CCC(=O)COc1ccccn1 1458a_100102699861_100000210623 [1,0,0,0,0,0|2,0,1]=4 273 B13R1.42 C=CCC(=O)COc1cccnc1 1458a_100015207166_100000210623 [1,0,0,0,0,0|2,0,1]=4 274 B13R1.42 C=CCC(=O)CSc1ccccc1 1458a_100000211596_100000210623 [1,0,0,0,0,0|1,0,1]=3 275 B13R1.42 C=CCC(=O)CSc1ccccn1 1458a_100000156281_100000210623 [1,0,0,0,0,0|2,0,1]=4 276 B13R1.42 C=CCC(=O)CSc1ccncc1 1458a_100000211328_100000210623 [1,0,0,0,0,0|2,0,1]=4 277 B13R1.42 C=CCC(=O)NCc1ccccc1 11a_100015324214_100000210193 [1,0,0,0,0,0|1,0,1]=3 278 B13R1.42 C=CCC(=O)NCc1ccccc1 1626a_100015324214_100000210193 [1,0,0,0,0,0|1,0,1]=3 279 B13R1.42 C=CCC(=O)NCc1ccccc1 240690a_100015324214_100000210193 [1,0,0,0,0,0|1,0,1]=3 280 B13R1.42 C=CCC(=O)NCc1ccccc1 527a_100015324214_100000210193 [1,0,0,0,0,0|1,0,1]=3 281 B13R1.42 C=CCC(=O)NCc1ccccn1 11a_100000210449_100000210193 [1,0,0,0,0,0|2,0,1]=4 282 B13R1.42 C=CCC(=O)NCc1ccccn1 1626a_100000210449_100000210193 [1,0,0,0,0,0|2,0,1]=4 283 B13R1.42 C=CCC(=O)NCc1ccccn1 240690a_100000210449_100000210193 [1,0,0,0,0,0|2,0,1]=4 284 B13R1.42 C=CCC(=O)NCc1ccccn1 527a_100000210449_100000210193 [1,0,0,0,0,0|2,0,1]=4 285 B13R1.42 C=CCC(=O)NCc1cccnc1 11a_100000210453_100000210193 [1,0,0,0,0,0|2,0,1]=4 286 B13R1.42 C=CCC(=O)NCc1cccnc1 240690a_100000210453_100000210193 [1,0,0,0,0,0|2,0,1]=4 287 B13R1.42 C=CCC(=O)NCc1cccnc1 527a_100000210453_100000210193 [1,0,0,0,0,0|2,0,1]=4 288 B13R1.42 C=CCC(=O)NCc1ccncc1 11a_100000210450_100000210193 [1,0,0,0,0,0|2,0,1]=4 289 B13R1.42 C=CCC(=O)NCc1ccncc1 1626a_100000210450_100000210193 [1,0,0,0,0,0|2,0,1]=4 290 B13R1.42 C=CCC(=O)NCc1ccncc1 240690a_100000210450_100000210193 [1,0,0,0,0,0|2,0,1]=4 291 B13R1.42 C=CCC(=O)NCc1ccncc1 527a_100000210450_100000210193 [1,0,0,0,0,0|2,0,1]=4 292 B13R1.42 C=CCC(=O)NNc1ccccc1 22a_100015195140_100000210193 [1,0,0,0,0,0|2,0,0]=3 293 B13R1.42 C=CCC(=O)NNc1ccccn1 22a_100000183288_100000210193 [1,0,0,0,0,0|3,0,0]=4 294 B13R1.42 C=CCC(=O)NNc1cccnc1 22a_100000728903_100000210193 [1,0,0,0,0,0|3,0,0]=4 295 B13R1.42 C=CCC(=O)NNc1ccncc1 22a_100000698918_100000210193 [1,0,0,0,0,0|3,0,0]=4 296 B13R1.42 C=COC(=O)CNc1ccccc1 34a_100000106764_100000036128 [1,0,0,0,0,0|1,0,1]=3 297 B13R1.42 C=COC(=O)COc1ccccc1 34a_100000210340_100000036128 [1,0,0,0,0,0|1,0,1]=3 298 B13R1.42 C=COC(=O)COc1cccnc1 34a_100000210849_100000036128 [1,0,0,0,0,0|2,0,1]=4 299 B13R1.42 C=COC(=O)COc1ccncc1 34a_100000212176_100000036128 [1,0,0,0,0,0|2,0,1]=4 300 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000036128_100000041952 [1,0,0,0,0,0|1,0,1]=3 301 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000719477_100000036128 [1,0,0,0,0,0|1,0,1]=3 302 B13R1.42 C=COC(=O)CSc1ccccn1 62a_100000036128_100011216584 [1,0,0,0,0,0|2,0,1]=4 303 B13R1.42 C=COC(=O)CSc1ccccn1 62a_100011216584_100000036128 [1,0,0,0,0,0|2,0,1]=4 304 B13R1.42 C=COC(=O)CSc1cccnc1 62a_100000036128_100000210063 [1,0,0,0,0,0|2,0,1]=4 305 B13R1.42 C=COC(=O)CSc1cccnc1 62a_100000210063_100000036128 [1,0,0,0,0,0|2,0,1]=4 306 B13R1.42 C=COC(=O)CSc1ccncc1 62a_100000036128_100000728582 [1,0,0,0,0,0|2,0,1]=4 307 B13R1.42 C=COC(=O)CSc1ccncc1 62a_100000728582_100000036128 [1,0,0,0,0,0|2,0,1]=4 308 B13R1.42 CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210303 [1,0,0,0,0,0|0,0,2]=3 309 B13R1.42 CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210303 [1,0,0,0,0,0|1,0,2]=4 310 B13R1.42 CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210303 [1,0,0,0,0,0|1,0,2]=4 311 B13R1.42 CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210303 [1,0,0,0,0,0|1,0,2]=4 312 B13R1.42 CCNC(=O)C=Cc1ccccc1 11a_100015525214_100000210462 [1,0,0,0,0,0|1,0,1]=3 313 B13R1.42 CCNC(=O)C=Cc1ccccn1 11a_100015525214_100000740811 [1,0,0,0,0,0|2,0,1]=4 314 B13R1.42 CCNC(=O)C=Cc1ccccn1 240690a_100015525214_100000740811 [1,0,0,0,0,0|2,0,1]=4 315 B13R1.42 CCNC(=O)C=Cc1cccnc1 11a_100015525214_100000735890 [1,0,0,0,0,0|2,0,1]=4 316 B13R1.42 CCNC(=O)C=Cc1cccnc1 240690a_100015525214_100000735890 [1,0,0,0,0,0|2,0,1]=4 317 B13R1.42 CCNC(=O)C=Cc1ccncc1 240690a_100015525214_100000682801 [1,0,0,0,0,0|2,0,1]=4 318 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [1,0,0,0,0,0|0,0,1]=2 319 B13R1.42 CCOC(=O)C=Cc1ccccn1 271570a_100010199719_100011216584 [1,0,0,0,0,0|1,0,1]=3 320 B13R1.42 CCOC(=O)C=Cc1cccnc1 271570a_100010199719_100000752921 [1,0,0,0,0,0|1,0,1]=3 321 B13R1.42 CCOC(=O)C=Cc1cccnn1 271570a_100010199719_100016991348 [1,0,0,0,0,0|2,0,1]=4 322 B13R1.42 CCOC(=O)C=Cc1ccncc1 271570a_100010199719_100000035832 [1,0,0,0,0,0|1,0,1]=3 323 B13R1.42 CCOC(=O)C=Cc1ccncn1 271570a_100010199719_100000703185 [1,0,0,0,0,0|2,0,1]=4 324 B13R1.42 CCOC(=O)C=Cc1ccnnc1 271570a_100010199719_100000732662 [1,0,0,0,0,0|2,0,1]=4 325 B13R1.42 CCOC(=O)C=Cc1cnccn1 271570a_100010199719_100000758340 [1,0,0,0,0,0|2,0,1]=4 326 B13R1.42 CCOC(=O)C=Cc1cncnc1 271570a_100010199719_100011206942 [1,0,0,0,0,0|2,0,1]=4 327 B13R1.42 CCOC(=O)C=Cc1ncccn1 271570a_100010199719_100000211032 [1,0,0,0,0,0|2,0,1]=4 328 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [1,0,0,0,0,0|1,0,2]=4 329 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [1,0,0,0,0,0|1,0,2]=4 330 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [1,0,0,0,0,0|1,0,2]=4 331 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [1,0,0,0,0,0|1,0,2]=4 332 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [1,0,0,0,0,0|1,0,2]=4 333 B13R1.42 CNNC(=O)C=Cc1ccccc1 22a_100016993582_100000210462 [1,0,0,0,0,0|2,0,1]=4 334 B13R1.42 N#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100011214920 [1,0,0,0,0,0|1,0,1]=3 335 B13R1.42 N#CCC(=O)C=Cc1ccccn1 1458a_100000740811_100011214920 [1,0,0,0,0,0|2,0,1]=4 336 B13R1.42 N#CCC(=O)C=Cc1cccnc1 1458a_100000735890_100011214920 [1,0,0,0,0,0|2,0,1]=4 337 B13R1.42 N#CCC(=O)C=Cc1ccncc1 1458a_100000682801_100011214920 [1,0,0,0,0,0|2,0,1]=4 338 B13R1.42 O=C(C=Cc1ccccc1)CCF 1458a_100000210462_100011217306 [1,0,0,0,0,0|1,0,1]=3 339 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [1,0,0,0,0,0|1,0,1]=3 340 B13R1.42 O=C(C=Cc1ccccn1)CCF 1458a_100000740811_100011217306 [1,0,0,0,0,0|2,0,1]=4 341 B13R1.42 O=C(C=Cc1ccccn1)CCO 1458a_100000740811_100000211926 [1,0,0,0,0,0|2,0,1]=4 342 B13R1.42 O=C(C=Cc1cccnc1)CCF 1458a_100000735890_100011217306 [1,0,0,0,0,0|2,0,1]=4 343 B13R1.42 O=C(C=Cc1cccnc1)CCO 1458a_100000735890_100000211926 [1,0,0,0,0,0|2,0,1]=4 344 B13R1.42 O=C(C=Cc1ccncc1)CCF 1458a_100000682801_100011217306 [1,0,0,0,0,0|2,0,1]=4 345 B13R1.42 O=C(C=Cc1ccncc1)CCO 1458a_100000682801_100000211926 [1,0,0,0,0,0|2,0,1]=4 346 B15R1.78 C#CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000731252 [0,1,0,0,0,0|1,0,2]=4 347 B15R1.78 C#CCCNC(=O)C=Cc1ccccc1 11a_100000755551_100000210462 [0,1,0,0,0,0|1,0,2]=4 348 B15R1.78 C#CCCNC(=O)C=Cc1ccccc1 1626a_100000755551_100000210462 [0,1,0,0,0,0|1,0,2]=4 349 B15R1.78 C=CCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000757094 [0,1,0,0,0,0|1,0,2]=4 350 B15R1.78 C=CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000757094 [0,1,0,0,0,0|1,0,0]=2 351 B15R1.78 C=CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000757094 [0,1,0,0,0,0|2,0,0]=3 352 B15R1.78 C=CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000757094 [0,1,0,0,0,0|2,0,0]=3 353 B15R1.78 C=CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000757094 [0,1,0,0,0,0|2,0,0]=3 354 B15R1.78 C=CCCCC(=O)CCc1ccccc1 1458a_100000185753_100000757094 [0,1,0,0,0,0|1,0,2]=4 355 B15R1.78 C=CCCCC(=O)CCc1ccccc1 1458a_100000766728_100000765856 [0,1,0,0,0,0|1,0,2]=4 356 B15R1.78 C=CCCCC(=O)COc1ccccc1 1458a_100000186222_100000757094 [0,1,0,0,0,0|2,0,1]=4 357 B15R1.78 C=CCCCC(=O)CSc1ccccc1 1458a_100000211596_100000757094 [0,1,0,0,0,0|2,0,1]=4 358 B15R1.78 C=CCCCC(=O)NCc1ccccc1 11a_100015324214_100000766728 [0,1,0,0,0,0|2,0,1]=4 359 B15R1.78 C=CCCCC(=O)NCc1ccccc1 1626a_100015324214_100000766728 [0,1,0,0,0,0|2,0,1]=4 360 B15R1.78 C=CCCCC(=O)NCc1ccccc1 240690a_100015324214_100000766728 [0,1,0,0,0,0|2,0,1]=4 361 B15R1.78 C=CCCCC(=O)NCc1ccccc1 527a_100015324214_100000766728 [0,1,0,0,0,0|2,0,1]=4 362 B15R1.78 C=CCCCC(=O)NNc1ccccc1 22a_100015195140_100000766728 [0,1,0,0,0,0|3,0,0]=4 363 B15R1.78 C=CCCNC(=O)C#Cc1ccccc1 240690a_100015191253_100000736102 [0,1,0,0,0,0|1,0,2]=4 364 B15R1.78 C=CCCNC(=O)C=Cc1ccccc1 11a_100015191253_100000210462 [0,1,0,0,0,0|1,0,0]=2 365 B15R1.78 C=CCCNC(=O)C=Cc1ccccc1 1626a_100015191253_100000210462 [0,1,0,0,0,0|1,0,0]=2 366 B15R1.78 C=CCCNC(=O)C=Cc1ccccn1 11a_100015191253_100000740811 [0,1,0,0,0,0|2,0,0]=3 367 B15R1.78 C=CCCNC(=O)C=Cc1ccccn1 240690a_100015191253_100000740811 [0,1,0,0,0,0|2,0,0]=3 368 B15R1.78 C=CCCNC(=O)C=Cc1cccnc1 11a_100015191253_100000735890 [0,1,0,0,0,0|2,0,0]=3 369 B15R1.78 C=CCCNC(=O)C=Cc1cccnc1 240690a_100015191253_100000735890 [0,1,0,0,0,0|2,0,0]=3 370 B15R1.78 C=CCCNC(=O)C=Cc1ccncc1 240690a_100015191253_100000682801 [0,1,0,0,0,0|2,0,0]=3 371 B15R1.78 C=CCCNC(=O)CCc1ccccc1 11a_100015191253_100000185753 [0,1,0,0,0,0|1,0,2]=4 372 B15R1.78 C=CCCNC(=O)CCc1ccccc1 1626a_100015191253_100000185753 [0,1,0,0,0,0|1,0,2]=4 373 B15R1.78 C=CCCNC(=O)CCc1ccccc1 240690a_100015191253_100000185753 [0,1,0,0,0,0|1,0,2]=4 374 B15R1.78 C=CCCNC(=O)CCc1ccccc1 527a_100015191253_100000185753 [0,1,0,0,0,0|1,0,2]=4 375 B15R1.78 C=CCCNC(=O)COc1ccccc1 11a_100015191253_100000186222 [0,1,0,0,0,0|2,0,1]=4 376 B15R1.78 C=CCCNC(=O)COc1ccccc1 1626a_100015191253_100000186222 [0,1,0,0,0,0|2,0,1]=4 377 B15R1.78 C=CCCNC(=O)COc1ccccc1 240690a_100015191253_100000186222 [0,1,0,0,0,0|2,0,1]=4 378 B15R1.78 C=CCCNC(=O)COc1ccccc1 527a_100015191253_100000186222 [0,1,0,0,0,0|2,0,1]=4 379 B15R1.78 C=CCCNC(=O)CSc1ccccc1 11a_100015191253_100000211596 [0,1,0,0,0,0|2,0,1]=4 380 B15R1.78 C=CCCNC(=O)CSc1ccccc1 1626a_100015191253_100000211596 [0,1,0,0,0,0|2,0,1]=4 381 B15R1.78 C=CCCNC(=O)CSc1ccccc1 240690a_100015191253_100000211596 [0,1,0,0,0,0|2,0,1]=4 382 B15R1.78 C=CCCNC(=O)CSc1ccccc1 527a_100015191253_100000211596 [0,1,0,0,0,0|2,0,1]=4 383 B15R1.78 C=CCCNC(=O)NCc1ccccc1 2708a_100015191253_100015324214 [0,1,0,0,0,0|2,0,1]=4 384 B15R1.78 C=CCCNC(=O)NCc1ccccc1 2708a_100015324214_100015191253 [0,1,0,0,0,0|2,0,1]=4 385 B15R1.78 C=CCCNC(=O)NCc1ccccc1 273464a_100015191253_100015324214 [0,1,0,0,0,0|2,0,1]=4 386 B15R1.78 C=CCCNC(=O)NCc1ccccc1 273464a_100015324214_100015191253 [0,1,0,0,0,0|2,0,1]=4 387 B15R1.78 C=CCCNC(=O)NCc1ccccc1 512a_100015191253_100015324214 [0,1,0,0,0,0|2,0,1]=4 388 B15R1.78 C=CCCNC(=O)NCc1ccccc1 512a_100015324214_100015191253 [0,1,0,0,0,0|2,0,1]=4 389 B15R1.78 C=CCCNC(=O)NNc1ccccc1 273464a_100015191253_100015195140 [0,1,0,0,0,0|3,0,0]=4 390 B15R1.78 C=CCCNC(=O)NNc1ccccc1 512a_100015191253_100015195140 [0,1,0,0,0,0|3,0,0]=4 391 B15R1.78 C=CCNCC(=O)CCc1ccccc1 2230a_100020586998_100012361361 [0,1,0,0,0,0|1,0,2]=4 392 B15R1.78 C=CCNCC(=O)NCc1ccccc1 2230a_100000739245_100000210623 [0,1,0,0,0,0|2,0,1]=4 393 B15R1.78 C=CCNCC(=O)NCc1ccccc1 2230a_100020586998_100000183539 [0,1,0,0,0,0|2,0,1]=4 394 B15R1.78 C=CCNCC(=O)OCc1ccccc1 2230a_100020586998_100000753625 [0,1,0,0,0,0|2,0,1]=4 395 B15R1.78 C=CCNNC(=O)C#Cc1ccccc1 22a_100020588587_100000736102 [0,1,0,0,0,0|1,0,2]=4 396 B15R1.78 C=CCNNC(=O)C=Cc1ccccc1 22a_100020588587_100000210462 [0,1,0,0,0,0|1,0,0]=2 397 B15R1.78 C=CCNNC(=O)C=Cc1ccccn1 22a_100020588587_100000740811 [0,1,0,0,0,0|2,0,0]=3 398 B15R1.78 C=CCNNC(=O)C=Cc1cccnc1 22a_100020588587_100000735890 [0,1,0,0,0,0|2,0,0]=3 399 B15R1.78 C=CCNNC(=O)C=Cc1ccncc1 22a_100020588587_100000682801 [0,1,0,0,0,0|2,0,0]=3 400 B15R1.78 C=CCNNC(=O)CCc1ccccc1 22a_100020588587_100000185753 [0,1,0,0,0,0|1,0,2]=4 401 B15R1.78 C=CCNNC(=O)COc1ccccc1 22a_100020588587_100000186222 [0,1,0,0,0,0|2,0,1]=4 402 B15R1.78 C=CCNNC(=O)CSc1ccccc1 22a_100020588587_100000211596 [0,1,0,0,0,0|2,0,1]=4 403 B15R1.78 C=CCNNC(=O)NCc1ccccc1 273464a_100015324214_100020588587 [0,1,0,0,0,0|2,0,1]=4 404 B15R1.78 C=CCNNC(=O)NCc1ccccc1 512a_100015324214_100020588587 [0,1,0,0,0,0|2,0,1]=4 405 B15R1.78 C=CCNNC(=O)NCc1ccccc1 512a_100020588587_100015324214 [0,1,0,0,0,0|2,0,1]=4 406 B15R1.78 C=CCNNC(=O)NNc1ccccc1 512a_100020588587_100015195140 [0,1,0,0,0,0|3,0,0]=4 407 B15R1.78 C=CCOCC(=O)CCc1ccccc1 34a_200000210373_100012361361 [0,1,0,0,0,0|0,0,2]=3 408 B15R1.78 C=CCOCC(=O)NCc1ccccc1 34a_200000210373_100000183539 [0,1,0,0,0,0|1,0,1]=3 409 B15R1.78 C=CCOCC(=O)NCc1ccccn1 34a_200000210373_100000684169 [0,1,0,0,0,0|2,0,1]=4 410 B15R1.78 C=CCOCC(=O)OCc1ccccc1 34a_200000210373_100000753625 [0,1,0,0,0,0|1,0,1]=3 411 B15R1.78 C=CCSCC(=O)CCc1ccccc1 1458a_100000230395_100000765856 [0,1,0,0,0,0|0,1,2]=4 412 B15R1.78 C=CCSCC(=O)CCc1ccccc1 62a_100000210623_100012361361 [0,1,0,0,0,0|0,1,2]=4 413 B15R1.78 C=CCSCC(=O)CCc1ccccc1 62a_100012361361_100000210623 [0,1,0,0,0,0|0,1,2]=4 414 B15R1.78 C=CCSCC(=O)NCc1ccccc1 11a_100015324214_100000230395 [0,1,0,0,0,0|1,1,1]=4 415 B15R1.78 C=CCSCC(=O)NCc1ccccc1 1626a_100015324214_100000230395 [0,1,0,0,0,0|1,1,1]=4 416 B15R1.78 C=CCSCC(=O)NCc1ccccc1 240690a_100015324214_100000230395 [0,1,0,0,0,0|1,1,1]=4 417 B15R1.78 C=CCSCC(=O)NCc1ccccc1 527a_100015324214_100000230395 [0,1,0,0,0,0|1,1,1]=4 418 B15R1.78 C=CCSCC(=O)NCc1ccccc1 62a_100000183539_100000210623 [0,1,0,0,0,0|1,1,1]=4 419 B15R1.78 C=CCSCC(=O)NCc1ccccc1 62a_100000210623_100000183539 [0,1,0,0,0,0|1,1,1]=4 420 B15R1.78 C=CCSCC(=O)NNc1ccccc1 22a_100015195140_100000230395 [0,1,0,0,0,0|2,1,0]=4 421 B15R1.78 C=CCSCC(=O)OCc1ccccc1 62a_100000210623_100000753625 [0,1,0,0,0,0|1,1,1]=4 422 B15R1.78 C=CCSCC(=O)OCc1ccccc1 62a_100000753625_100000210623 [0,1,0,0,0,0|1,1,1]=4 423 B15R1.78 C=COCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000039644 [0,1,0,0,0,0|1,0,2]=4 424 B15R1.78 C=COCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000039644 [0,1,0,0,0,0|1,0,0]=2 425 B15R1.78 C=COCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000039644 [0,1,0,0,0,0|2,0,0]=3 426 B15R1.78 C=COCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000039644 [0,1,0,0,0,0|2,0,0]=3 427 B15R1.78 C=COCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000039644 [0,1,0,0,0,0|2,0,0]=3 428 B15R1.78 C=COCCC(=O)CCc1ccccc1 1458a_100000185753_100000039644 [0,1,0,0,0,0|1,0,2]=4 429 B15R1.78 C=COCCC(=O)COc1ccccc1 1458a_100000186222_100000039644 [0,1,0,0,0,0|2,0,1]=4 430 B15R1.78 C=COCCC(=O)CSc1ccccc1 1458a_100000211596_100000039644 [0,1,0,0,0,0|2,0,1]=4 431 B15R1.78 CC#CCNC(=O)C=Cc1ccccc1 11a_100000685387_100000210462 [0,1,0,0,0,0|1,0,2]=4 432 B15R1.78 CC#CCNC(=O)C=Cc1ccccc1 1626a_100000685387_100000210462 [0,1,0,0,0,0|1,0,2]=4 433 B15R1.78 CC/C=C\CC(=O)C=Cc1ccccc1 1458a_100000210462_100103147603 [0,1,0,0,0,0|1,0,2]=4 434 B15R1.78 CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210326 [0,1,0,0,0,0|1,0,2]=4 435 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 11a_100000102301_100000210462 [0,1,0,0,0,0|1,0,2]=4 436 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 1626a_100000102301_100000210462 [0,1,0,0,0,0|1,0,2]=4 437 B15R1.78 CCCNNC(=O)C=Cc1ccccc1 22a_100000740057_100000210462 [0,1,0,0,0,0|1,0,2]=4 438 B15R1.78 CCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215890 [0,1,0,0,0,0|1,0,2]=4 439 B15R1.78 CCSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000757381 [0,1,0,0,0,0|1,0,2]=4 440 B15R1.78 COCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000740836 [0,1,0,0,0,0|1,0,2]=4 441 B15R1.78 COCCNC(=O)C=Cc1ccccc1 1626a_100000209980_100000210462 [0,1,0,0,0,0|1,0,2]=4 442 B15R1.78 CSCCNC(=O)C=Cc1ccccc1 11a_100020590264_100000210462 [0,1,0,0,0,0|1,0,2]=4 443 B15R1.78 CSCCNC(=O)C=Cc1ccccc1 1626a_100020590264_100000210462 [0,1,0,0,0,0|1,0,2]=4 444 B15R1.78 N#CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000211468 [0,1,0,0,0,0|1,0,2]=4 445 B15R1.78 N#CCCNC(=O)C=Cc1ccccc1 11a_100000720768_100000210462 [0,1,0,0,0,0|1,0,2]=4 446 B15R1.78 N#CCCNC(=O)C=Cc1ccccc1 1626a_100000720768_100000210462 [0,1,0,0,0,0|1,0,2]=4 447 B15R1.78 O=C(C=Cc1ccccc1)CCCCF 1458a_100000210462_100000729493 [0,1,0,0,0,0|1,0,2]=4 448 B15R1.78 O=C(C=Cc1ccccc1)CCCCO 1458a_100000210462_100000210776 [0,1,0,0,0,0|1,0,2]=4 449 B15R1.78 O=C(C=Cc1ccccc1)NCCCF 11a_100015189416_100000210462 [0,1,0,0,0,0|1,0,2]=4 450 B15R1.78 O=C(C=Cc1ccccc1)NCCCF 1626a_100015189416_100000210462 [0,1,0,0,0,0|1,0,2]=4 451 B15R1.78 O=C(C=Cc1ccccc1)NNCCO 22a_100000210001_100000210462 [0,1,0,0,0,0|2,0,1]=4 452 B15R1.115 C#CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000753159 [0,1,0,0,0,0|1,0,2]=4 453 B15R1.115 C#CCNC(=O)C=C(C)c1ccccc1 11a_100000212058_100000743005 [0,1,0,0,0,0|1,0,2]=4 454 B15R1.115 C#CCNC(=O)C=C(C)c1ccccc1 1626a_100000212058_100000743005 [0,1,0,0,0,0|1,0,2]=4 455 B15R1.115 C#CCNC(=O)C=C(C)c1ccccc1 240690a_100000212058_100000743005 [0,1,0,0,0,0|1,0,2]=4 456 B15R1.115 C#CCNC(=O)C=C(C)c1ccccc1 527a_100000212058_100000743005 [0,1,0,0,0,0|1,0,2]=4 457 B15R1.115 C/C=C/CC(=O)C=C(C)c1ccccc1 1458a_100000743005_100102629194 [0,1,0,0,0,0|1,0,2]=4 458 B15R1.115 C=CC=CC(=O)CC(=O)c1ccccc1 1458a_100016291481_100000211460 [0,1,0,0,0,0|1,0,2]=4 459 B15R1.115 C=CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000754431 [0,1,0,0,0,0|1,0,0]=2 460 B15R1.115 C=CCCC(=O)CC(=O)c1ccccc1 1458a_100000749702_100000211460 [0,1,0,0,0,0|1,0,1]=3 461 B15R1.115 C=CCCC(=O)CC(=O)c1ccccn1 1458a_100000749702_100000027445 [0,1,0,0,0,0|2,0,1]=4 462 B15R1.115 C=CCCC(=O)CC(=O)c1cccnc1 1458a_100000749702_100015188593 [0,1,0,0,0,0|2,0,1]=4 463 B15R1.115 C=CCCC(=O)CC(=O)c1ccncc1 1458a_100000749702_100000027454 [0,1,0,0,0,0|2,0,1]=4 464 B15R1.115 C=CCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000754431 [0,1,0,0,0,0|1,0,2]=4 465 B15R1.115 C=CCCC(=O)CC(C)c1ccccc1 1458a_100000749702_100000756946 [0,1,0,0,0,0|1,0,2]=4 466 B15R1.115 C=CCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000754431 [0,1,0,0,0,0|1,0,2]=4 467 B15R1.115 C=CCCC(=O)CC(O)c1ccccc1 1458a_100000749702_100000185958 [0,1,0,0,0,0|1,0,2]=4 468 B15R1.115 C=CCCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000754431 [0,1,0,0,0,0|2,0,1]=4 469 B15R1.115 C=CCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000749702_100011933945 [0,1,0,0,0,0|1,0,2]=4 470 B15R1.115 C=CCCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000749702 [0,1,0,0,0,0|2,0,1]=4 471 B15R1.115 C=CCCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000749702 [0,1,0,0,0,0|2,0,1]=4 472 B15R1.115 C=CCCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000749702 [0,1,0,0,0,0|2,0,1]=4 473 B15R1.115 C=CCCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000749702 [0,1,0,0,0,0|2,0,1]=4 474 B15R1.115 C=CCNC(=O)C=C(C)c1ccccc1 1626a_100020586998_100000743005 [0,1,0,0,0,0|1,0,0]=2 475 B15R1.115 C=CCNC(=O)C=C(C)c1ccccc1 240690a_100020586998_100000743005 [0,1,0,0,0,0|1,0,0]=2 476 B15R1.115 C=CCNC(=O)C=C(C)c1ccccc1 527a_100020586998_100000743005 [0,1,0,0,0,0|1,0,0]=2 477 B15R1.115 C=CCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183597 [0,1,0,0,0,0|1,0,1]=3 478 B15R1.115 C=CCNC(=O)CC(C)c1ccccc1 1626a_100020586998_100000183687 [0,1,0,0,0,0|1,0,2]=4 479 B15R1.115 C=CCNC(=O)CC(C)c1ccccc1 240690a_100020586998_100000183687 [0,1,0,0,0,0|1,0,2]=4 480 B15R1.115 C=CCNC(=O)CC(C)c1ccccc1 527a_100020586998_100000183687 [0,1,0,0,0,0|1,0,2]=4 481 B15R1.115 C=CCNC(=O)CC(O)c1ccccc1 240690a_100020586998_100000690199 [0,1,0,0,0,0|1,0,2]=4 482 B15R1.115 C=CCNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183597 [0,1,0,0,0,0|2,0,1]=4 483 B15R1.115 C=CCNC(=O)CN(C)c1ccccc1 240690a_100020586998_100000745425 [0,1,0,0,0,0|2,0,1]=4 484 B15R1.115 C=CCNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183597 [0,1,0,0,0,0|2,0,1]=4 485 B15R1.115 C=CCNC(=O)CN(C)c1ccccc1 527a_100020586998_100000745425 [0,1,0,0,0,0|2,0,1]=4 486 B15R1.115 C=CCNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100020586998 [0,1,0,0,0,0|2,0,1]=4 487 B15R1.115 C=CCNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100020586998 [0,1,0,0,0,0|2,0,1]=4 488 B15R1.115 C=CCNC(=O)N[C@H](C)c1ccccc1 273464a_100020586998_100000751104 [0,1,0,0,0,0|2,0,1]=4 489 B15R1.115 C=CCNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100020586998 [0,1,0,0,0,0|2,0,1]=4 490 B15R1.115 C=CCNC(=O)N[C@H](C)c1ccccc1 512a_100020586998_100000751104 [0,1,0,0,0,0|2,0,1]=4 491 B15R1.115 C=CCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000033060 [0,1,0,0,0,0|0,0,1]=2 492 B15R1.115 C=CCOC(=O)CN(C)c1ccccc1 2230a_100000210012_100000033060 [0,1,0,0,0,0|1,0,1]=3 493 B15R1.115 C=CCOC(=O)CN(C)c1ccccc1 269982a_100000210012_100000033060 [0,1,0,0,0,0|1,0,1]=3 494 B15R1.115 C=CCOC(=O)CN(C)c1ccccc1 34a_100000210012_100000033060 [0,1,0,0,0,0|1,0,1]=3 495 B15R1.115 CC(=CC(=O)CCC#N)c1ccccc1 1458a_100000743005_100011215226 [0,1,0,0,0,0|2,0,1]=4 496 B15R1.115 CC(=CC(=O)CCCF)c1ccccc1 1458a_100000743005_100011934791 [0,1,0,0,0,0|2,0,1]=4 497 B15R1.115 CC(=CC(=O)CCCO)c1ccccc1 1458a_100000743005_100011215043 [0,1,0,0,0,0|2,0,1]=4 498 B15R1.115 CC(=CC(=O)NCC#N)c1ccccc1 1626a_100000734998_100000743005 [0,1,0,0,0,0|2,0,1]=4 499 B15R1.115 CC(=CC(=O)NCC#N)c1ccccc1 527a_100000734998_100000743005 [0,1,0,0,0,0|2,0,1]=4 500 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 11a_100000724931_100000743005 [0,1,0,0,0,0|2,0,1]=4 501 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 1626a_100000724931_100000743005 [0,1,0,0,0,0|2,0,1]=4 502 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 240690a_100000724931_100000743005 [0,1,0,0,0,0|2,0,1]=4 503 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 527a_100000724931_100000743005 [0,1,0,0,0,0|2,0,1]=4 504 B15R1.115 CC(=CC(=O)NCCO)c1ccccc1 240690a_100000210304_100000743005 [0,1,0,0,0,0|2,0,1]=4 505 B15R1.115 CC(=CC(=O)NCCO)c1ccccc1 527a_100000210304_100000743005 [0,1,0,0,0,0|2,0,1]=4 506 B15R1.115 CC=CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000070051 [0,1,0,0,0,0|1,0,2]=4 507 B15R1.115 CCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210211 [0,1,0,0,0,0|1,0,2]=4 508 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 11a_100020643023_100000743005 [0,1,0,0,0,0|1,0,2]=4 509 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 1626a_100020643023_100000743005 [0,1,0,0,0,0|1,0,2]=4 510 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 240690a_100020643023_100000743005 [0,1,0,0,0,0|1,0,2]=4 511 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 527a_100020643023_100000743005 [0,1,0,0,0,0|1,0,2]=4 512 B15R1.115 CCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_200011215008 [0,1,0,0,0,0|0,0,3]=4 513 B15R1.115 COCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000233755 [0,1,0,0,0,0|2,0,1]=4 514 B15R1.115 CSCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000751147 [0,1,0,0,0,0|2,0,1]=4 515 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000753159 [0,1,0,0,0,0|1,0,2]=4 516 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000753159 [0,1,0,0,0,0|1,0,2]=4 517 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000753159 [0,1,0,0,0,0|1,0,2]=4 518 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000753159 [0,1,0,0,0,0|1,0,2]=4 519 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000753159 [0,1,0,0,0,0|1,0,2]=4 520 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Br 11a_100000212058_100016258244 [0,1,0,0,0,0|1,0,2]=4 521 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Br 1626a_100000212058_100016258244 [0,1,0,0,0,0|1,0,2]=4 522 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Br 240690a_100000212058_100016258244 [0,1,0,0,0,0|1,0,2]=4 523 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)C 11a_100000212058_100000690095 [0,1,0,0,0,0|1,0,2]=4 524 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)C 1626a_100000212058_100000690095 [0,1,0,0,0,0|1,0,2]=4 525 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)C 240690a_100000212058_100000690095 [0,1,0,0,0,0|1,0,2]=4 526 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Cl 11a_100000212058_100000184502 [0,1,0,0,0,0|1,0,2]=4 527 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000212058_100000184502 [0,1,0,0,0,0|1,0,2]=4 528 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000212058_100000184502 [0,1,0,0,0,0|1,0,2]=4 529 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)F 11a_100000212058_100000718793 [0,1,0,0,0,0|1,0,2]=4 530 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)F 1626a_100000212058_100000718793 [0,1,0,0,0,0|1,0,2]=4 531 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)F 240690a_100000212058_100000718793 [0,1,0,0,0,0|1,0,2]=4 532 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)I 11a_100000212058_100020647043 [0,1,0,0,0,0|1,0,2]=4 533 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)I 1626a_100000212058_100020647043 [0,1,0,0,0,0|1,0,2]=4 534 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)I 240690a_100000212058_100020647043 [0,1,0,0,0,0|1,0,2]=4 535 B15R1.127 C/C=C/CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100102629194 [0,1,0,0,0,0|1,0,2]=4 536 B15R1.127 C/C=C/CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100102629194 [0,1,0,0,0,0|1,0,2]=4 537 B15R1.127 C/C=C/CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100102629194 [0,1,0,0,0,0|1,0,2]=4 538 B15R1.127 C/C=C/CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100102629194 [0,1,0,0,0,0|1,0,2]=4 539 B15R1.127 C/C=C/CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100102629194 [0,1,0,0,0,0|1,0,2]=4 540 B15R1.127 C=CCCC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_100000754431 [0,1,0,0,0,0|1,0,2]=4 541 B15R1.127 C=CCCC(=O)C#Cc1cccc(c1)C 1458a_100011892726_100000754431 [0,1,0,0,0,0|1,0,2]=4 542 B15R1.127 C=CCCC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_100000754431 [0,1,0,0,0,0|1,0,2]=4 543 B15R1.127 C=CCCC(=O)C#Cc1cccc(c1)F 1458a_100011892744_100000754431 [0,1,0,0,0,0|1,0,2]=4 544 B15R1.127 C=CCCC(=O)C#Cc1cccc(c1)O 1458a_200009909484_100000754431 [0,1,0,0,0,0|1,0,2]=4 545 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000754431 [0,1,0,0,0,0|1,0,0]=2 546 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000762624 [0,1,0,0,0,0|1,0,0]=2 547 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000754431 [0,1,0,0,0,0|1,0,0]=2 548 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000754431 [0,1,0,0,0,0|1,0,0]=2 549 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000754431 [0,1,0,0,0,0|1,0,0]=2 550 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000762624 [0,1,0,0,0,0|1,0,0]=2 551 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000754431 [0,1,0,0,0,0|1,0,0]=2 552 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000762624 [0,1,0,0,0,0|1,0,0]=2 553 B15R1.127 C=CCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000762624 [0,1,0,0,0,0|2,0,0]=3 554 B15R1.127 C=CCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000762624 [0,1,0,0,0,0|2,0,0]=3 555 B15R1.127 C=CCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000762624 [0,1,0,0,0,0|2,0,0]=3 556 B15R1.127 C=CCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000762624 [0,1,0,0,0,0|2,0,0]=3 557 B15R1.127 C=CCCC(=O)C=Cc1cncc(n1)C 6a_100000100294_100000762624 [0,1,0,0,0,0|3,0,0]=4 558 B15R1.127 C=CCCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000754431 [0,1,0,0,0,0|1,0,2]=4 559 B15R1.127 C=CCCC(=O)CCc1cccc(c1)Br 1458a_100000749702_100011740638 [0,1,0,0,0,0|1,0,2]=4 560 B15R1.127 C=CCCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000754431 [0,1,0,0,0,0|1,0,2]=4 561 B15R1.127 C=CCCC(=O)CCc1cccc(c1)C 1458a_100000749702_100011713685 [0,1,0,0,0,0|1,0,2]=4 562 B15R1.127 C=CCCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000754431 [0,1,0,0,0,0|1,0,2]=4 563 B15R1.127 C=CCCC(=O)CCc1cccc(c1)Cl 1458a_100000749702_100011713710 [0,1,0,0,0,0|1,0,2]=4 564 B15R1.127 C=CCCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000754431 [0,1,0,0,0,0|1,0,2]=4 565 B15R1.127 C=CCCC(=O)CCc1cccc(c1)F 1458a_100000749702_100011217235 [0,1,0,0,0,0|1,0,2]=4 566 B15R1.127 C=CCCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000754431 [0,1,0,0,0,0|1,0,2]=4 567 B15R1.127 C=CCCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000754431 [0,1,0,0,0,0|1,0,2]=4 568 B15R1.127 C=CCCC(=O)COc1cccc(c1)Br 1458a_100000182359_100000754431 [0,1,0,0,0,0|2,0,1]=4 569 B15R1.127 C=CCCC(=O)COc1cccc(c1)C 1458a_100000183606_100000754431 [0,1,0,0,0,0|2,0,1]=4 570 B15R1.127 C=CCCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100000754431 [0,1,0,0,0,0|2,0,1]=4 571 B15R1.127 C=CCCC(=O)COc1cccc(c1)F 1458a_100000182781_100000754431 [0,1,0,0,0,0|2,0,1]=4 572 B15R1.127 C=CCCC(=O)CSc1cccc(c1)Br 1458a_100000760868_100000754431 [0,1,0,0,0,0|2,0,1]=4 573 B15R1.127 C=CCCC(=O)NCc1cccc(c1)Br 11a_100000174977_100000749702 [0,1,0,0,0,0|2,0,1]=4 574 B15R1.127 C=CCCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000749702 [0,1,0,0,0,0|2,0,1]=4 575 B15R1.127 C=CCCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100000749702 [0,1,0,0,0,0|2,0,1]=4 576 B15R1.127 C=CCCC(=O)NCc1cccc(c1)Br 527a_100000174977_100000749702 [0,1,0,0,0,0|2,0,1]=4 577 B15R1.127 C=CCCC(=O)NCc1cccc(c1)C 11a_100000185548_100000749702 [0,1,0,0,0,0|2,0,1]=4 578 B15R1.127 C=CCCC(=O)NCc1cccc(c1)C 1626a_100000185548_100000749702 [0,1,0,0,0,0|2,0,1]=4 579 B15R1.127 C=CCCC(=O)NCc1cccc(c1)C 240690a_100000185548_100000749702 [0,1,0,0,0,0|2,0,1]=4 580 B15R1.127 C=CCCC(=O)NCc1cccc(c1)C 527a_100000185548_100000749702 [0,1,0,0,0,0|2,0,1]=4 581 B15R1.127 C=CCCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100000749702 [0,1,0,0,0,0|2,0,1]=4 582 B15R1.127 C=CCCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000749702 [0,1,0,0,0,0|2,0,1]=4 583 B15R1.127 C=CCCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000749702 [0,1,0,0,0,0|2,0,1]=4 584 B15R1.127 C=CCCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100000749702 [0,1,0,0,0,0|2,0,1]=4 585 B15R1.127 C=CCCC(=O)NCc1cccc(c1)F 11a_100000174948_100000749702 [0,1,0,0,0,0|2,0,1]=4 586 B15R1.127 C=CCCC(=O)NCc1cccc(c1)F 1626a_100000174948_100000749702 [0,1,0,0,0,0|2,0,1]=4 587 B15R1.127 C=CCCC(=O)NCc1cccc(c1)F 240690a_100000174948_100000749702 [0,1,0,0,0,0|2,0,1]=4 588 B15R1.127 C=CCCC(=O)NCc1cccc(c1)F 527a_100000174948_100000749702 [0,1,0,0,0,0|2,0,1]=4 589 B15R1.127 C=CCCC(=O)NCc1cccc(c1)I 11a_100000106179_100000749702 [0,1,0,0,0,0|2,0,1]=4 590 B15R1.127 C=CCCC(=O)NCc1cccc(c1)I 1626a_100000106179_100000749702 [0,1,0,0,0,0|2,0,1]=4 591 B15R1.127 C=CCCC(=O)NCc1cccc(c1)I 240690a_100000106179_100000749702 [0,1,0,0,0,0|2,0,1]=4 592 B15R1.127 C=CCCC(=O)NCc1cccc(c1)I 527a_100000106179_100000749702 [0,1,0,0,0,0|2,0,1]=4 593 B15R1.127 C=CCCC(=O)NCc1cccc(c1)O 240690a_100000743036_100000749702 [0,1,0,0,0,0|2,0,1]=4 594 B15R1.127 C=CCCC(=O)NCc1cccc(c1)O 527a_100000743036_100000749702 [0,1,0,0,0,0|2,0,1]=4 595 B15R1.127 C=CCCC(=O)NNc1cccc(c1)Br 22a_100000217339_100000749702 [0,1,0,0,0,0|3,0,0]=4 596 B15R1.127 C=CCCC(=O)NNc1cccc(c1)C 22a_100000681630_100000749702 [0,1,0,0,0,0|3,0,0]=4 597 B15R1.127 C=CCCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000749702 [0,1,0,0,0,0|3,0,0]=4 598 B15R1.127 C=CCCC(=O)NNc1cccc(c1)F 22a_100000745080_100000749702 [0,1,0,0,0,0|3,0,0]=4 599 B15R1.127 C=CCCC(=O)NNc1cccc(c1)I 22a_100020605690_100000749702 [0,1,0,0,0,0|3,0,0]=4 600 B15R1.127 C=CCNC(=O)C#Cc1cccc(c1)C 240690a_100020586998_100011892726 [0,1,0,0,0,0|1,0,2]=4 601 B15R1.127 C=CCNC(=O)C#Cc1cccc(c1)Cl 240690a_100020586998_100011892777 [0,1,0,0,0,0|1,0,2]=4 602 B15R1.127 C=CCNC(=O)C#Cc1cccc(c1)F 240690a_100020586998_100011892744 [0,1,0,0,0,0|1,0,2]=4 603 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Br 1626a_100020586998_100016258244 [0,1,0,0,0,0|1,0,0]=2 604 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Br 240690a_100020586998_100016258244 [0,1,0,0,0,0|1,0,0]=2 605 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)C 1626a_100020586998_100000690095 [0,1,0,0,0,0|1,0,0]=2 606 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)C 240690a_100020586998_100000690095 [0,1,0,0,0,0|1,0,0]=2 607 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100020586998_100000184502 [0,1,0,0,0,0|1,0,0]=2 608 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100020586998_100000184502 [0,1,0,0,0,0|1,0,0]=2 609 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)F 1626a_100020586998_100000718793 [0,1,0,0,0,0|1,0,0]=2 610 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)F 240690a_100020586998_100000718793 [0,1,0,0,0,0|1,0,0]=2 611 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)I 1626a_100020586998_100020647043 [0,1,0,0,0,0|1,0,0]=2 612 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)I 240690a_100020586998_100020647043 [0,1,0,0,0,0|1,0,0]=2 613 B15R1.127 C=CCNC(=O)CCc1cccc(c1)Br 1626a_100020586998_100000184314 [0,1,0,0,0,0|1,0,2]=4 614 B15R1.127 C=CCNC(=O)CCc1cccc(c1)Br 240690a_100020586998_100000184314 [0,1,0,0,0,0|1,0,2]=4 615 B15R1.127 C=CCNC(=O)CCc1cccc(c1)Br 527a_100020586998_100000184314 [0,1,0,0,0,0|1,0,2]=4 616 B15R1.127 C=CCNC(=O)CCc1cccc(c1)C 1626a_100020586998_100000234952 [0,1,0,0,0,0|1,0,2]=4 617 B15R1.127 C=CCNC(=O)CCc1cccc(c1)C 240690a_100020586998_100000234952 [0,1,0,0,0,0|1,0,2]=4 618 B15R1.127 C=CCNC(=O)CCc1cccc(c1)C 527a_100020586998_100000234952 [0,1,0,0,0,0|1,0,2]=4 619 B15R1.127 C=CCNC(=O)CCc1cccc(c1)Cl 1626a_100020586998_100000235675 [0,1,0,0,0,0|1,0,2]=4 620 B15R1.127 C=CCNC(=O)CCc1cccc(c1)Cl 240690a_100020586998_100000235675 [0,1,0,0,0,0|1,0,2]=4 621 B15R1.127 C=CCNC(=O)CCc1cccc(c1)Cl 527a_100020586998_100000235675 [0,1,0,0,0,0|1,0,2]=4 622 B15R1.127 C=CCNC(=O)CCc1cccc(c1)F 1626a_100020586998_100000235673 [0,1,0,0,0,0|1,0,2]=4 623 B15R1.127 C=CCNC(=O)CCc1cccc(c1)F 240690a_100020586998_100000235673 [0,1,0,0,0,0|1,0,2]=4 624 B15R1.127 C=CCNC(=O)CCc1cccc(c1)F 527a_100020586998_100000235673 [0,1,0,0,0,0|1,0,2]=4 625 B15R1.127 C=CCNC(=O)CCc1cccc(c1)I 1626a_100020586998_100010007846 [0,1,0,0,0,0|1,0,2]=4 626 B15R1.127 C=CCNC(=O)CCc1cccc(c1)I 240690a_100020586998_100010007846 [0,1,0,0,0,0|1,0,2]=4 627 B15R1.127 C=CCNC(=O)CCc1cccc(c1)I 527a_100020586998_100010007846 [0,1,0,0,0,0|1,0,2]=4 628 B15R1.127 C=CCNC(=O)CCc1cccc(c1)O 240690a_100020586998_100011216126 [0,1,0,0,0,0|1,0,2]=4 629 B15R1.127 C=CCNC(=O)CCc1cccc(c1)O 527a_100020586998_100011216126 [0,1,0,0,0,0|1,0,2]=4 630 B15R1.127 C=CCNC(=O)CNc1cccc(c1)C 2230a_100000188690_100000183597 [0,1,0,0,0,0|2,0,1]=4 631 B15R1.127 C=CCNC(=O)COc1cccc(c1)Br 1626a_100020586998_100000182359 [0,1,0,0,0,0|2,0,1]=4 632 B15R1.127 C=CCNC(=O)COc1cccc(c1)Br 240690a_100020586998_100000182359 [0,1,0,0,0,0|2,0,1]=4 633 B15R1.127 C=CCNC(=O)COc1cccc(c1)Br 527a_100020586998_100000182359 [0,1,0,0,0,0|2,0,1]=4 634 B15R1.127 C=CCNC(=O)COc1cccc(c1)Br 7a_100000210342_100000183597 [0,1,0,0,0,0|2,0,1]=4 635 B15R1.127 C=CCNC(=O)COc1cccc(c1)C 1626a_100020586998_100000183606 [0,1,0,0,0,0|2,0,1]=4 636 B15R1.127 C=CCNC(=O)COc1cccc(c1)C 240690a_100020586998_100000183606 [0,1,0,0,0,0|2,0,1]=4 637 B15R1.127 C=CCNC(=O)COc1cccc(c1)C 527a_100020586998_100000183606 [0,1,0,0,0,0|2,0,1]=4 638 B15R1.127 C=CCNC(=O)COc1cccc(c1)C 7a_100000210337_100000183597 [0,1,0,0,0,0|2,0,1]=4 639 B15R1.127 C=CCNC(=O)COc1cccc(c1)Cl 1626a_100020586998_100000184978 [0,1,0,0,0,0|2,0,1]=4 640 B15R1.127 C=CCNC(=O)COc1cccc(c1)Cl 240690a_100020586998_100000184978 [0,1,0,0,0,0|2,0,1]=4 641 B15R1.127 C=CCNC(=O)COc1cccc(c1)Cl 527a_100020586998_100000184978 [0,1,0,0,0,0|2,0,1]=4 642 B15R1.127 C=CCNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000183597 [0,1,0,0,0,0|2,0,1]=4 643 B15R1.127 C=CCNC(=O)COc1cccc(c1)F 1626a_100020586998_100000182781 [0,1,0,0,0,0|2,0,1]=4 644 B15R1.127 C=CCNC(=O)COc1cccc(c1)F 240690a_100020586998_100000182781 [0,1,0,0,0,0|2,0,1]=4 645 B15R1.127 C=CCNC(=O)COc1cccc(c1)F 527a_100020586998_100000182781 [0,1,0,0,0,0|2,0,1]=4 646 B15R1.127 C=CCNC(=O)COc1cccc(c1)F 7a_100000210426_100000183597 [0,1,0,0,0,0|2,0,1]=4 647 B15R1.127 C=CCNC(=O)COc1cccc(c1)I 7a_100000211634_100000183597 [0,1,0,0,0,0|2,0,1]=4 648 B15R1.127 C=CCNC(=O)CSc1cccc(c1)Br 1626a_100020586998_100000760868 [0,1,0,0,0,0|2,0,1]=4 649 B15R1.127 C=CCNC(=O)CSc1cccc(c1)Br 240690a_100020586998_100000760868 [0,1,0,0,0,0|2,0,1]=4 650 B15R1.127 C=CCNC(=O)CSc1cccc(c1)Br 527a_100020586998_100000760868 [0,1,0,0,0,0|2,0,1]=4 651 B15R1.127 C=CCNC(=O)CSc1cccc(c1)Br 62a_100000183597_100000691529 [0,1,0,0,0,0|2,0,1]=4 652 B15R1.127 C=CCNC(=O)CSc1cccc(c1)Br 62a_100000691529_100000183597 [0,1,0,0,0,0|2,0,1]=4 653 B15R1.127 C=CCNC(=O)CSc1cccc(c1)C 62a_100000183597_100011215228 [0,1,0,0,0,0|2,0,1]=4 654 B15R1.127 C=CCNC(=O)CSc1cccc(c1)C 62a_100011215228_100000183597 [0,1,0,0,0,0|2,0,1]=4 655 B15R1.127 C=CCNC(=O)CSc1cccc(c1)Cl 62a_100000183597_100000699651 [0,1,0,0,0,0|2,0,1]=4 656 B15R1.127 C=CCNC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000183597 [0,1,0,0,0,0|2,0,1]=4 657 B15R1.127 C=CCNC(=O)CSc1cccc(c1)F 62a_100000183597_100000685547 [0,1,0,0,0,0|2,0,1]=4 658 B15R1.127 C=CCNC(=O)CSc1cccc(c1)F 62a_100000685547_100000183597 [0,1,0,0,0,0|2,0,1]=4 659 B15R1.127 C=CCNC(=O)CSc1cccc(c1)N 62a_100000183597_100000210019 [0,1,0,0,0,0|2,0,1]=4 660 B15R1.127 C=CCNC(=O)CSc1cccc(c1)N 62a_100000210019_100000183597 [0,1,0,0,0,0|2,0,1]=4 661 B15R1.127 C=CCNC(=O)CSc1cccc(c1)O 62a_100000183597_100000211634 [0,1,0,0,0,0|2,0,1]=4 662 B15R1.127 C=CCNC(=O)CSc1cccc(c1)[S] 62a_100000183597_114929384022 [0,1,0,0,0,0|2,0,1]=4 663 B15R1.127 C=CCNC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000183597 [0,1,0,0,0,0|2,0,1]=4 664 B15R1.127 C=CCNC(=O)NCc1cccc(c1)Br 2708a_100000174977_100020586998 [0,1,0,0,0,0|2,0,1]=4 665 B15R1.127 C=CCNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100020586998 [0,1,0,0,0,0|2,0,1]=4 666 B15R1.127 C=CCNC(=O)NCc1cccc(c1)Br 273464a_100020586998_100000174977 [0,1,0,0,0,0|2,0,1]=4 667 B15R1.127 C=CCNC(=O)NCc1cccc(c1)Br 512a_100000174977_100020586998 [0,1,0,0,0,0|2,0,1]=4 668 B15R1.127 C=CCNC(=O)NCc1cccc(c1)Br 512a_100020586998_100000174977 [0,1,0,0,0,0|2,0,1]=4 669 B15R1.127 C=CCNC(=O)NCc1cccc(c1)C 2708a_100000185548_100020586998 [0,1,0,0,0,0|2,0,1]=4 670 B15R1.127 C=CCNC(=O)NCc1cccc(c1)C 273464a_100000185548_100020586998 [0,1,0,0,0,0|2,0,1]=4 671 B15R1.127 C=CCNC(=O)NCc1cccc(c1)C 273464a_100020586998_100000185548 [0,1,0,0,0,0|2,0,1]=4 672 B15R1.127 C=CCNC(=O)NCc1cccc(c1)C 512a_100000185548_100020586998 [0,1,0,0,0,0|2,0,1]=4 673 B15R1.127 C=CCNC(=O)NCc1cccc(c1)C 512a_100020586998_100000185548 [0,1,0,0,0,0|2,0,1]=4 674 B15R1.127 C=CCNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_100020586998 [0,1,0,0,0,0|2,0,1]=4 675 B15R1.127 C=CCNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100020586998 [0,1,0,0,0,0|2,0,1]=4 676 B15R1.127 C=CCNC(=O)NCc1cccc(c1)Cl 273464a_100020586998_100000174878 [0,1,0,0,0,0|2,0,1]=4 677 B15R1.127 C=CCNC(=O)NCc1cccc(c1)Cl 512a_100000174878_100020586998 [0,1,0,0,0,0|2,0,1]=4 678 B15R1.127 C=CCNC(=O)NCc1cccc(c1)Cl 512a_100020586998_100000174878 [0,1,0,0,0,0|2,0,1]=4 679 B15R1.127 C=CCNC(=O)NCc1cccc(c1)F 2708a_100000174948_100020586998 [0,1,0,0,0,0|2,0,1]=4 680 B15R1.127 C=CCNC(=O)NCc1cccc(c1)F 273464a_100000174948_100020586998 [0,1,0,0,0,0|2,0,1]=4 681 B15R1.127 C=CCNC(=O)NCc1cccc(c1)F 273464a_100020586998_100000174948 [0,1,0,0,0,0|2,0,1]=4 682 B15R1.127 C=CCNC(=O)NCc1cccc(c1)F 512a_100000174948_100020586998 [0,1,0,0,0,0|2,0,1]=4 683 B15R1.127 C=CCNC(=O)NCc1cccc(c1)F 512a_100020586998_100000174948 [0,1,0,0,0,0|2,0,1]=4 684 B15R1.127 C=CCNC(=O)NCc1cccc(c1)I 2708a_100000106179_100020586998 [0,1,0,0,0,0|2,0,1]=4 685 B15R1.127 C=CCNC(=O)NCc1cccc(c1)I 273464a_100000106179_100020586998 [0,1,0,0,0,0|2,0,1]=4 686 B15R1.127 C=CCNC(=O)NCc1cccc(c1)I 273464a_100020586998_100000106179 [0,1,0,0,0,0|2,0,1]=4 687 B15R1.127 C=CCNC(=O)NCc1cccc(c1)I 512a_100000106179_100020586998 [0,1,0,0,0,0|2,0,1]=4 688 B15R1.127 C=CCNC(=O)NCc1cccc(c1)I 512a_100020586998_100000106179 [0,1,0,0,0,0|2,0,1]=4 689 B15R1.127 C=CCNC(=O)NCc1cccc(c1)O 2708a_100000743036_100020586998 [0,1,0,0,0,0|2,0,1]=4 690 B15R1.127 C=CCNC(=O)NCc1cccc(c1)O 273464a_100000743036_100020586998 [0,1,0,0,0,0|2,0,1]=4 691 B15R1.127 C=CCNC(=O)NCc1cccc(c1)O 273464a_100020586998_100000743036 [0,1,0,0,0,0|2,0,1]=4 692 B15R1.127 C=CCNC(=O)NCc1cccc(c1)O 512a_100000743036_100020586998 [0,1,0,0,0,0|2,0,1]=4 693 B15R1.127 C=CCNC(=O)NCc1cccc(c1)O 512a_100020586998_100000743036 [0,1,0,0,0,0|2,0,1]=4 694 B15R1.127 C=CCNC(=O)NNc1cccc(c1)Br 273464a_100020586998_100000217339 [0,1,0,0,0,0|3,0,0]=4 695 B15R1.127 C=CCNC(=O)NNc1cccc(c1)Br 512a_100000217339_100020586998 [0,1,0,0,0,0|3,0,0]=4 696 B15R1.127 C=CCNC(=O)NNc1cccc(c1)Br 512a_100020586998_100000217339 [0,1,0,0,0,0|3,0,0]=4 697 B15R1.127 C=CCNC(=O)NNc1cccc(c1)C 273464a_100020586998_100000681630 [0,1,0,0,0,0|3,0,0]=4 698 B15R1.127 C=CCNC(=O)NNc1cccc(c1)C 512a_100000681630_100020586998 [0,1,0,0,0,0|3,0,0]=4 699 B15R1.127 C=CCNC(=O)NNc1cccc(c1)C 512a_100020586998_100000681630 [0,1,0,0,0,0|3,0,0]=4 700 B15R1.127 C=CCNC(=O)NNc1cccc(c1)Cl 273464a_100020586998_100000184277 [0,1,0,0,0,0|3,0,0]=4 701 B15R1.127 C=CCNC(=O)NNc1cccc(c1)Cl 512a_100020586998_100000184277 [0,1,0,0,0,0|3,0,0]=4 702 B15R1.127 C=CCNC(=O)NNc1cccc(c1)F 273464a_100020586998_100000745080 [0,1,0,0,0,0|3,0,0]=4 703 B15R1.127 C=CCNC(=O)NNc1cccc(c1)F 512a_100000745080_100020586998 [0,1,0,0,0,0|3,0,0]=4 704 B15R1.127 C=CCNC(=O)NNc1cccc(c1)F 512a_100020586998_100000745080 [0,1,0,0,0,0|3,0,0]=4 705 B15R1.127 C=CCNC(=O)NNc1cccc(c1)I 273464a_100020586998_100020605690 [0,1,0,0,0,0|3,0,0]=4 706 B15R1.127 C=CCNC(=O)NNc1cccc(c1)I 512a_100020586998_100020605690 [0,1,0,0,0,0|3,0,0]=4 707 B15R1.127 C=CCNC(=O)NNc1cccc(c1)I 512a_100020605690_100020586998 [0,1,0,0,0,0|3,0,0]=4 708 B15R1.127 C=CCOC(=O)CNc1cccc(c1)Br 34a_100000210019_100000033060 [0,1,0,0,0,0|1,0,1]=3 709 B15R1.127 C=CCOC(=O)CNc1cccc(c1)C 2230a_100000188690_100000033060 [0,1,0,0,0,0|1,0,1]=3 710 B15R1.127 C=CCOC(=O)CNc1cccc(c1)C 34a_100000188690_100000033060 [0,1,0,0,0,0|1,0,1]=3 711 B15R1.127 C=CCOC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000033060 [0,1,0,0,0,0|1,0,1]=3 712 B15R1.127 C=CCOC(=O)CNc1cccc(c1)F 34a_100000210047_100000033060 [0,1,0,0,0,0|1,0,1]=3 713 B15R1.127 C=CCOC(=O)CNc1cccc(c1)I 34a_100000211102_100000033060 [0,1,0,0,0,0|1,0,1]=3 714 B15R1.127 C=CCOC(=O)CNc1cccc(c1)O 34a_100000210217_100000033060 [0,1,0,0,0,0|1,0,1]=3 715 B15R1.127 C=CCOC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000033060 [0,1,0,0,0,0|2,0,1]=4 716 B15R1.127 C=CCOC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000033060 [0,1,0,0,0,0|2,0,1]=4 717 B15R1.127 C=CCOC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000033060 [0,1,0,0,0,0|2,0,1]=4 718 B15R1.127 C=CCOC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000033060 [0,1,0,0,0,0|2,0,1]=4 719 B15R1.127 C=CCOC(=O)COc1cccc(c1)Br 34a_100000210342_100000033060 [0,1,0,0,0,0|1,0,1]=3 720 B15R1.127 C=CCOC(=O)COc1cccc(c1)Br 7a_100000210342_100000033060 [0,1,0,0,0,0|1,0,1]=3 721 B15R1.127 C=CCOC(=O)COc1cccc(c1)C 34a_100000210337_100000033060 [0,1,0,0,0,0|1,0,1]=3 722 B15R1.127 C=CCOC(=O)COc1cccc(c1)C 7a_100000210337_100000033060 [0,1,0,0,0,0|1,0,1]=3 723 B15R1.127 C=CCOC(=O)COc1cccc(c1)Cl 34a_100000210295_100000033060 [0,1,0,0,0,0|1,0,1]=3 724 B15R1.127 C=CCOC(=O)COc1cccc(c1)Cl 7a_100000210295_100000033060 [0,1,0,0,0,0|1,0,1]=3 725 B15R1.127 C=CCOC(=O)COc1cccc(c1)F 34a_100000210426_100000033060 [0,1,0,0,0,0|1,0,1]=3 726 B15R1.127 C=CCOC(=O)COc1cccc(c1)F 7a_100000210426_100000033060 [0,1,0,0,0,0|1,0,1]=3 727 B15R1.127 C=CCOC(=O)COc1cccc(c1)I 34a_100000211634_100000033060 [0,1,0,0,0,0|1,0,1]=3 728 B15R1.127 C=CCOC(=O)COc1cccc(c1)I 7a_100000211634_100000033060 [0,1,0,0,0,0|1,0,1]=3 729 B15R1.127 C=CCOC(=O)COc1cccc(c1)N 34a_100000210217_100000033060 [0,1,0,0,0,0|1,0,1]=3 730 B15R1.127 C=CCOC(=O)COc1cccc(n1)F 34a_100011432558_100000033060 [0,1,0,0,0,0|2,0,1]=4 731 B15R1.127 C=CCOC(=O)COc1ccnc(c1)C 34a_100000688365_100000033060 [0,1,0,0,0,0|2,0,1]=4 732 B15R1.127 C=CCOC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000033060 [0,1,0,0,0,0|2,0,1]=4 733 B15R1.127 C=CCOC(=O)COc1ccnc(c1)F 34a_100000732698_100000033060 [0,1,0,0,0,0|2,0,1]=4 734 B15R1.127 C=CCOC(=O)COc1ccnc(c1)N 34a_100011834064_100000033060 [0,1,0,0,0,0|2,0,1]=4 735 B15R1.127 C=CCOC(=O)COc1cncc(c1)Br 34a_100000754920_100000033060 [0,1,0,0,0,0|2,0,1]=4 736 B15R1.127 C=CCOC(=O)COc1cncc(c1)Br 7a_100000754920_100000033060 [0,1,0,0,0,0|2,0,1]=4 737 B15R1.127 C=CCOC(=O)COc1cncc(c1)C 34a_100011830280_100000033060 [0,1,0,0,0,0|2,0,1]=4 738 B15R1.127 C=CCOC(=O)COc1cncc(c1)C 7a_100011830280_100000033060 [0,1,0,0,0,0|2,0,1]=4 739 B15R1.127 C=CCOC(=O)COc1cncc(c1)Cl 7a_100000032511_100000033060 [0,1,0,0,0,0|2,0,1]=4 740 B15R1.127 C=CCOC(=O)COc1cncc(c1)F 34a_100011830296_100000033060 [0,1,0,0,0,0|2,0,1]=4 741 B15R1.127 C=CCOC(=O)COc1cncc(c1)F 7a_100011830296_100000033060 [0,1,0,0,0,0|2,0,1]=4 742 B15R1.127 C=CCOC(=O)COc1cncc(c1)N 34a_100011997051_100000033060 [0,1,0,0,0,0|2,0,1]=4 743 B15R1.127 C=CCOC(=O)CSc1cc(=O)cc[nH]1 62a_100009817434_100000033060 [0,1,0,0,0,0|2,0,1]=4 744 B15R1.127 C=CCOC(=O)CSc1cc(ccn1)C 62a_100000033060_100000750283 [0,1,0,0,0,0|2,0,1]=4 745 B15R1.127 C=CCOC(=O)CSc1cc(ccn1)C 62a_100000750283_100000033060 [0,1,0,0,0,0|2,0,1]=4 746 B15R1.127 C=CCOC(=O)CSc1cc(ccn1)Cl 62a_100000033060_100010167805 [0,1,0,0,0,0|2,0,1]=4 747 B15R1.127 C=CCOC(=O)CSc1cc(ccn1)Cl 62a_100010167805_100000033060 [0,1,0,0,0,0|2,0,1]=4 748 B15R1.127 C=CCOC(=O)CSc1cc(ccn1)F 62a_100000033060_100000764206 [0,1,0,0,0,0|2,0,1]=4 749 B15R1.127 C=CCOC(=O)CSc1cc(ccn1)F 62a_100000764206_100000033060 [0,1,0,0,0,0|2,0,1]=4 750 B15R1.127 C=CCOC(=O)CSc1cc(ccn1)N 62a_100000033060_100009814236 [0,1,0,0,0,0|2,0,1]=4 751 B15R1.127 C=CCOC(=O)CSc1cc(ccn1)N 62a_100009814236_100000033060 [0,1,0,0,0,0|2,0,1]=4 752 B15R1.127 C=CCOC(=O)CSc1cc(ccn1)O 62a_100000033060_100000762945 [0,1,0,0,0,0|2,0,1]=4 753 B15R1.127 C=CCOC(=O)CSc1cc[nH]c(=O)c1 62a_100000033060_100009816521 [0,1,0,0,0,0|2,0,1]=4 754 B15R1.127 C=CCOC(=O)CSc1cc[nH]c(=O)c1 62a_100009816521_100000033060 [0,1,0,0,0,0|2,0,1]=4 755 B15R1.127 C=CCOC(=O)CSc1ccc[n+](c1)C 62a_100000033060_100009996589 [0,1,0,0,0,0|2,0,1]=4 756 B15R1.127 C=CCOC(=O)CSc1ccc[n+](c1)C 62a_100009996589_100000033060 [0,1,0,0,0,0|2,0,1]=4 757 B15R1.127 C=CCOC(=O)CSc1ccc[n+](c1)[O-] 62a_100000033060_100009815978 [0,1,0,0,0,0|2,0,1]=4 758 B15R1.127 C=CCOC(=O)CSc1cccc(=O)[nH]1 62a_100000033060_100000752884 [0,1,0,0,0,0|2,0,1]=4 759 B15R1.127 C=CCOC(=O)CSc1cccc(c1)Br 62a_100000033060_100000691529 [0,1,0,0,0,0|1,0,1]=3 760 B15R1.127 C=CCOC(=O)CSc1cccc(c1)Br 62a_100000691529_100000033060 [0,1,0,0,0,0|1,0,1]=3 761 B15R1.127 C=CCOC(=O)CSc1cccc(c1)C 62a_100000033060_100011215228 [0,1,0,0,0,0|1,0,1]=3 762 B15R1.127 C=CCOC(=O)CSc1cccc(c1)C 62a_100011215228_100000033060 [0,1,0,0,0,0|1,0,1]=3 763 B15R1.127 C=CCOC(=O)CSc1cccc(c1)Cl 62a_100000033060_100000699651 [0,1,0,0,0,0|1,0,1]=3 764 B15R1.127 C=CCOC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000033060 [0,1,0,0,0,0|1,0,1]=3 765 B15R1.127 C=CCOC(=O)CSc1cccc(c1)F 62a_100000033060_100000685547 [0,1,0,0,0,0|1,0,1]=3 766 B15R1.127 C=CCOC(=O)CSc1cccc(c1)F 62a_100000685547_100000033060 [0,1,0,0,0,0|1,0,1]=3 767 B15R1.127 C=CCOC(=O)CSc1cccc(c1)N 62a_100000033060_100000210019 [0,1,0,0,0,0|1,0,1]=3 768 B15R1.127 C=CCOC(=O)CSc1cccc(c1)N 62a_100000210019_100000033060 [0,1,0,0,0,0|1,0,1]=3 769 B15R1.127 C=CCOC(=O)CSc1cccc(c1)O 62a_100000033060_100000211634 [0,1,0,0,0,0|1,0,1]=3 770 B15R1.127 C=CCOC(=O)CSc1cccc(c1)[S] 62a_100000033060_114929384022 [0,1,0,0,0,0|1,0,1]=3 771 B15R1.127 C=CCOC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000033060 [0,1,0,0,0,0|1,0,1]=3 772 B15R1.127 C=CCOC(=O)CSc1cccc(n1)Br 62a_100000033060_100000684672 [0,1,0,0,0,0|2,0,1]=4 773 B15R1.127 C=CCOC(=O)CSc1cccc(n1)Br 62a_100000684672_100000033060 [0,1,0,0,0,0|2,0,1]=4 774 B15R1.127 C=CCOC(=O)CSc1cccc(n1)C 62a_100000033060_100000742759 [0,1,0,0,0,0|2,0,1]=4 775 B15R1.127 C=CCOC(=O)CSc1cccc(n1)C 62a_100000742759_100000033060 [0,1,0,0,0,0|2,0,1]=4 776 B15R1.127 C=CCOC(=O)CSc1cccc(n1)Cl 62a_100000033060_100000051397 [0,1,0,0,0,0|2,0,1]=4 777 B15R1.127 C=CCOC(=O)CSc1cccc(n1)Cl 62a_100000051397_100000033060 [0,1,0,0,0,0|2,0,1]=4 778 B15R1.127 C=CCOC(=O)CSc1cccc(n1)F 62a_100000033060_100009815982 [0,1,0,0,0,0|2,0,1]=4 779 B15R1.127 C=CCOC(=O)CSc1cccc(n1)F 62a_100009815982_100000033060 [0,1,0,0,0,0|2,0,1]=4 780 B15R1.127 C=CCOC(=O)CSc1cccc(n1)N 62a_100000033060_100000740741 [0,1,0,0,0,0|2,0,1]=4 781 B15R1.127 C=CCOC(=O)CSc1cccc(n1)N 62a_100000740741_100000033060 [0,1,0,0,0,0|2,0,1]=4 782 B15R1.127 C=CCOC(=O)CSc1ccnc(c1)Br 62a_100000033060_100009814637 [0,1,0,0,0,0|2,0,1]=4 783 B15R1.127 C=CCOC(=O)CSc1ccnc(c1)Br 62a_100009814637_100000033060 [0,1,0,0,0,0|2,0,1]=4 784 B15R1.127 C=CCOC(=O)CSc1ccnc(c1)C 62a_100000033060_100000758586 [0,1,0,0,0,0|2,0,1]=4 785 B15R1.127 C=CCOC(=O)CSc1ccnc(c1)C 62a_100000758586_100000033060 [0,1,0,0,0,0|2,0,1]=4 786 B15R1.127 C=CCOC(=O)CSc1ccnc(c1)Cl 62a_100000033060_100000035001 [0,1,0,0,0,0|2,0,1]=4 787 B15R1.127 C=CCOC(=O)CSc1ccnc(c1)Cl 62a_100000035001_100000033060 [0,1,0,0,0,0|2,0,1]=4 788 B15R1.127 C=CCOC(=O)CSc1ccnc(c1)F 62a_100000033060_100009816116 [0,1,0,0,0,0|2,0,1]=4 789 B15R1.127 C=CCOC(=O)CSc1ccnc(c1)F 62a_100009816116_100000033060 [0,1,0,0,0,0|2,0,1]=4 790 B15R1.127 C=CCOC(=O)CSc1ccnc(c1)N 62a_100000033060_100000049665 [0,1,0,0,0,0|2,0,1]=4 791 B15R1.127 C=CCOC(=O)CSc1ccnc(c1)N 62a_100000049665_100000033060 [0,1,0,0,0,0|2,0,1]=4 792 B15R1.127 C=CCOC(=O)CSc1cncc(c1)Br 62a_100000033060_100000728054 [0,1,0,0,0,0|2,0,1]=4 793 B15R1.127 C=CCOC(=O)CSc1cncc(c1)Br 62a_100000728054_100000033060 [0,1,0,0,0,0|2,0,1]=4 794 B15R1.127 C=CCOC(=O)CSc1cncc(c1)C 62a_100000033060_100000760492 [0,1,0,0,0,0|2,0,1]=4 795 B15R1.127 C=CCOC(=O)CSc1cncc(c1)C 62a_100000760492_100000033060 [0,1,0,0,0,0|2,0,1]=4 796 B15R1.127 C=CCOC(=O)CSc1cncc(c1)Cl 62a_100000033060_100000049639 [0,1,0,0,0,0|2,0,1]=4 797 B15R1.127 C=CCOC(=O)CSc1cncc(c1)Cl 62a_100000049639_100000033060 [0,1,0,0,0,0|2,0,1]=4 798 B15R1.127 C=CCOC(=O)CSc1cncc(c1)F 62a_100000033060_100000744099 [0,1,0,0,0,0|2,0,1]=4 799 B15R1.127 C=CCOC(=O)CSc1cncc(c1)F 62a_100000744099_100000033060 [0,1,0,0,0,0|2,0,1]=4 800 B15R1.127 C=CCOC(=O)CSc1cncc(c1)N 62a_100000033060_100000687067 [0,1,0,0,0,0|2,0,1]=4 801 B15R1.127 C=CCOC(=O)CSc1cncc(c1)N 62a_100000687067_100000033060 [0,1,0,0,0,0|2,0,1]=4 802 B15R1.127 C=CCOC(=O)CSc1cncc(c1)O 62a_100000033060_100000754920 [0,1,0,0,0,0|2,0,1]=4 803 B15R1.127 C=CCOC(=O)CSc1cncc(c1)O 62a_100000754920_100000033060 [0,1,0,0,0,0|2,0,1]=4 804 B15R1.127 CC=CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000070051 [0,1,0,0,0,0|1,0,2]=4 805 B15R1.127 CC=CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000070051 [0,1,0,0,0,0|1,0,2]=4 806 B15R1.127 CC=CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000070051 [0,1,0,0,0,0|1,0,2]=4 807 B15R1.127 CC=CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000070051 [0,1,0,0,0,0|1,0,2]=4 808 B15R1.127 CC=CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000070051 [0,1,0,0,0,0|1,0,2]=4 809 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210211 [0,1,0,0,0,0|1,0,2]=4 810 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000032102 [0,1,0,0,0,0|1,0,2]=4 811 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210211 [0,1,0,0,0,0|1,0,2]=4 812 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210211 [0,1,0,0,0,0|1,0,2]=4 813 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210211 [0,1,0,0,0,0|1,0,2]=4 814 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000032102 [0,1,0,0,0,0|1,0,2]=4 815 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210211 [0,1,0,0,0,0|1,0,2]=4 816 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000032102 [0,1,0,0,0,0|1,0,2]=4 817 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Br 11a_100020643023_100016258244 [0,1,0,0,0,0|1,0,2]=4 818 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Br 1626a_100020643023_100016258244 [0,1,0,0,0,0|1,0,2]=4 819 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Br 240690a_100020643023_100016258244 [0,1,0,0,0,0|1,0,2]=4 820 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)C 11a_100020643023_100000690095 [0,1,0,0,0,0|1,0,2]=4 821 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)C 1626a_100020643023_100000690095 [0,1,0,0,0,0|1,0,2]=4 822 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)C 240690a_100020643023_100000690095 [0,1,0,0,0,0|1,0,2]=4 823 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl 11a_100020643023_100000184502 [0,1,0,0,0,0|1,0,2]=4 824 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100020643023_100000184502 [0,1,0,0,0,0|1,0,2]=4 825 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100020643023_100000184502 [0,1,0,0,0,0|1,0,2]=4 826 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)F 11a_100020643023_100000718793 [0,1,0,0,0,0|1,0,2]=4 827 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)F 1626a_100020643023_100000718793 [0,1,0,0,0,0|1,0,2]=4 828 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)F 240690a_100020643023_100000718793 [0,1,0,0,0,0|1,0,2]=4 829 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)I 11a_100020643023_100020647043 [0,1,0,0,0,0|1,0,2]=4 830 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)I 1626a_100020643023_100020647043 [0,1,0,0,0,0|1,0,2]=4 831 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)I 240690a_100020643023_100020647043 [0,1,0,0,0,0|1,0,2]=4 832 B15R1.127 COCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000233755 [0,1,0,0,0,0|2,0,1]=4 833 B15R1.127 COCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000742357 [0,1,0,0,0,0|2,0,1]=4 834 B15R1.127 COCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000233755 [0,1,0,0,0,0|2,0,1]=4 835 B15R1.127 COCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000233755 [0,1,0,0,0,0|2,0,1]=4 836 B15R1.127 COCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000233755 [0,1,0,0,0,0|2,0,1]=4 837 B15R1.127 COCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000742357 [0,1,0,0,0,0|2,0,1]=4 838 B15R1.127 COCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000233755 [0,1,0,0,0,0|2,0,1]=4 839 B15R1.127 COCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000742357 [0,1,0,0,0,0|2,0,1]=4 840 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000751147 [0,1,0,0,0,0|2,0,1]=4 841 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011217047 [0,1,0,0,0,0|2,0,1]=4 842 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000751147 [0,1,0,0,0,0|2,0,1]=4 843 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000751147 [0,1,0,0,0,0|2,0,1]=4 844 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000751147 [0,1,0,0,0,0|2,0,1]=4 845 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011217047 [0,1,0,0,0,0|2,0,1]=4 846 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000751147 [0,1,0,0,0,0|2,0,1]=4 847 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011217047 [0,1,0,0,0,0|2,0,1]=4 848 B15R1.127 Cc1cccc(c1)C=CC(=O)CCC#N 1458a_100000690095_100011215226 [0,1,0,0,0,0|2,0,1]=4 849 B15R1.127 Cc1cccc(c1)C=CC(=O)CCCF 1458a_100000690095_100011934791 [0,1,0,0,0,0|2,0,1]=4 850 B15R1.127 Cc1cccc(c1)C=CC(=O)CCCO 1458a_100000690095_100011215043 [0,1,0,0,0,0|2,0,1]=4 851 B15R1.127 Cc1cccc(c1)C=CC(=O)NCC#N 1626a_100000734998_100000690095 [0,1,0,0,0,0|2,0,1]=4 852 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCF 11a_100000724931_100000690095 [0,1,0,0,0,0|2,0,1]=4 853 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCF 1626a_100000724931_100000690095 [0,1,0,0,0,0|2,0,1]=4 854 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCF 240690a_100000724931_100000690095 [0,1,0,0,0,0|2,0,1]=4 855 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCO 240690a_100000210304_100000690095 [0,1,0,0,0,0|2,0,1]=4 856 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011215226 [0,1,0,0,0,0|2,0,1]=4 857 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011215226 [0,1,0,0,0,0|2,0,1]=4 858 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011215226 [0,1,0,0,0,0|2,0,1]=4 859 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011215226 [0,1,0,0,0,0|2,0,1]=4 860 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)Br 1626a_100000734998_100016258244 [0,1,0,0,0,0|2,0,1]=4 861 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000734998_100000184502 [0,1,0,0,0,0|2,0,1]=4 862 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)F 1626a_100000734998_100000718793 [0,1,0,0,0,0|2,0,1]=4 863 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)I 1626a_100000734998_100020647043 [0,1,0,0,0,0|2,0,1]=4 864 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCBr 6a_100000210085_100000685027 [0,1,0,0,0,0|2,0,1]=4 865 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCCl 6a_100000210085_100011215641 [0,1,0,0,0,0|2,0,1]=4 866 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCF 1458a_100016258244_100011934791 [0,1,0,0,0,0|2,0,1]=4 867 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCO 1458a_100016258244_100011215043 [0,1,0,0,0,0|2,0,1]=4 868 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCF 11a_100000724931_100016258244 [0,1,0,0,0,0|2,0,1]=4 869 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCF 1626a_100000724931_100016258244 [0,1,0,0,0,0|2,0,1]=4 870 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCF 240690a_100000724931_100016258244 [0,1,0,0,0,0|2,0,1]=4 871 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCO 240690a_100000210304_100016258244 [0,1,0,0,0,0|2,0,1]=4 872 B15R1.127 O=C(C=Cc1cccc(c1)Cl)CCCF 1458a_100000184502_100011934791 [0,1,0,0,0,0|2,0,1]=4 873 B15R1.127 O=C(C=Cc1cccc(c1)Cl)CCCO 1458a_100000184502_100011215043 [0,1,0,0,0,0|2,0,1]=4 874 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF 11a_100000724931_100000184502 [0,1,0,0,0,0|2,0,1]=4 875 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF 1626a_100000724931_100000184502 [0,1,0,0,0,0|2,0,1]=4 876 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF 240690a_100000724931_100000184502 [0,1,0,0,0,0|2,0,1]=4 877 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCO 240690a_100000210304_100000184502 [0,1,0,0,0,0|2,0,1]=4 878 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCBr 6a_100000210812_100000685027 [0,1,0,0,0,0|2,0,1]=4 879 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCCl 6a_100000210812_100011215641 [0,1,0,0,0,0|2,0,1]=4 880 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCF 1458a_100000718793_100011934791 [0,1,0,0,0,0|2,0,1]=4 881 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCO 1458a_100000718793_100011215043 [0,1,0,0,0,0|2,0,1]=4 882 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCF 11a_100000724931_100000718793 [0,1,0,0,0,0|2,0,1]=4 883 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCF 1626a_100000724931_100000718793 [0,1,0,0,0,0|2,0,1]=4 884 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCF 240690a_100000724931_100000718793 [0,1,0,0,0,0|2,0,1]=4 885 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCO 240690a_100000210304_100000718793 [0,1,0,0,0,0|2,0,1]=4 886 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCBr 6a_100000014684_100000685027 [0,1,0,0,0,0|2,0,1]=4 887 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCCl 6a_100000014684_100011215641 [0,1,0,0,0,0|2,0,1]=4 888 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCF 1458a_100020647043_100011934791 [0,1,0,0,0,0|2,0,1]=4 889 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCO 1458a_100020647043_100011215043 [0,1,0,0,0,0|2,0,1]=4 890 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCF 11a_100000724931_100020647043 [0,1,0,0,0,0|2,0,1]=4 891 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCF 1626a_100000724931_100020647043 [0,1,0,0,0,0|2,0,1]=4 892 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCF 240690a_100000724931_100020647043 [0,1,0,0,0,0|2,0,1]=4 893 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCO 240690a_100000210304_100020647043 [0,1,0,0,0,0|2,0,1]=4 894 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000753159 [0,1,0,0,0,0|1,0,2]=4 895 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000753159 [0,1,0,0,0,0|1,0,2]=4 896 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000753159 [0,1,0,0,0,0|1,0,2]=4 897 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000753159 [0,1,0,0,0,0|1,0,2]=4 898 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000753159 [0,1,0,0,0,0|1,0,2]=4 899 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)Br 11a_100000212058_100016267368 [0,1,0,0,0,0|1,0,2]=4 900 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000212058_100016267368 [0,1,0,0,0,0|1,0,2]=4 901 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)C 11a_100000212058_100000716854 [0,1,0,0,0,0|1,0,2]=4 902 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)C 1626a_100000212058_100000716854 [0,1,0,0,0,0|1,0,2]=4 903 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)C 240690a_100000212058_100000716854 [0,1,0,0,0,0|1,0,2]=4 904 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000212058_100000184863 [0,1,0,0,0,0|1,0,2]=4 905 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000212058_100000184863 [0,1,0,0,0,0|1,0,2]=4 906 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000212058_100000184863 [0,1,0,0,0,0|1,0,2]=4 907 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)F 11a_100000212058_100000182136 [0,1,0,0,0,0|1,0,2]=4 908 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)F 1626a_100000212058_100000182136 [0,1,0,0,0,0|1,0,2]=4 909 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)F 240690a_100000212058_100000182136 [0,1,0,0,0,0|1,0,2]=4 910 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)I 11a_100000212058_100102526154 [0,1,0,0,0,0|1,0,2]=4 911 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)I 1626a_100000212058_100102526154 [0,1,0,0,0,0|1,0,2]=4 912 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)I 240690a_100000212058_100102526154 [0,1,0,0,0,0|1,0,2]=4 913 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)O 240690a_100000212058_100016269017 [0,1,0,0,0,0|1,0,2]=4 914 B15R1.139 C/C=C/CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100102629194 [0,1,0,0,0,0|1,0,2]=4 915 B15R1.139 C/C=C/CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100102629194 [0,1,0,0,0,0|1,0,2]=4 916 B15R1.139 C/C=C/CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100102629194 [0,1,0,0,0,0|1,0,2]=4 917 B15R1.139 C/C=C/CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100102629194 [0,1,0,0,0,0|1,0,2]=4 918 B15R1.139 C/C=C/CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100102629194 [0,1,0,0,0,0|1,0,2]=4 919 B15R1.139 C=CCCC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_100000754431 [0,1,0,0,0,0|1,0,2]=4 920 B15R1.139 C=CCCC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_100000754431 [0,1,0,0,0,0|1,0,2]=4 921 B15R1.139 C=CCCC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_100000754431 [0,1,0,0,0,0|1,0,2]=4 922 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000754431 [0,1,0,0,0,0|1,0,0]=2 923 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000762624 [0,1,0,0,0,0|1,0,0]=2 924 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000754431 [0,1,0,0,0,0|1,0,0]=2 925 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000754431 [0,1,0,0,0,0|1,0,0]=2 926 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000754431 [0,1,0,0,0,0|1,0,0]=2 927 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000762624 [0,1,0,0,0,0|1,0,0]=2 928 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000754431 [0,1,0,0,0,0|1,0,0]=2 929 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000762624 [0,1,0,0,0,0|1,0,0]=2 930 B15R1.139 C=CCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000762624 [0,1,0,0,0,0|2,0,0]=3 931 B15R1.139 C=CCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000754431 [0,1,0,0,0,0|2,0,0]=3 932 B15R1.139 C=CCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000762624 [0,1,0,0,0,0|2,0,0]=3 933 B15R1.139 C=CCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000754431 [0,1,0,0,0,0|2,0,0]=3 934 B15R1.139 C=CCCC(=O)C=Cc1cnc(cn1)C 6a_100000685221_100000762624 [0,1,0,0,0,0|3,0,0]=4 935 B15R1.139 C=CCCC(=O)C=Cc1cnc(cn1)Cl 6a_100012001714_100000762624 [0,1,0,0,0,0|3,0,0]=4 936 B15R1.139 C=CCCC(=O)C=Cc1cnc(nc1)C 6a_100011202771_100000762624 [0,1,0,0,0,0|3,0,0]=4 937 B15R1.139 C=CCCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000754431 [0,1,0,0,0,0|1,0,2]=4 938 B15R1.139 C=CCCC(=O)CCc1ccc(cc1)Br 1458a_100000749702_100011740612 [0,1,0,0,0,0|1,0,2]=4 939 B15R1.139 C=CCCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000754431 [0,1,0,0,0,0|1,0,2]=4 940 B15R1.139 C=CCCC(=O)CCc1ccc(cc1)C 1458a_100000749702_100011713686 [0,1,0,0,0,0|1,0,2]=4 941 B15R1.139 C=CCCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000754431 [0,1,0,0,0,0|1,0,2]=4 942 B15R1.139 C=CCCC(=O)CCc1ccc(cc1)Cl 1458a_100000749702_100011713675 [0,1,0,0,0,0|1,0,2]=4 943 B15R1.139 C=CCCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000754431 [0,1,0,0,0,0|1,0,2]=4 944 B15R1.139 C=CCCC(=O)CCc1ccc(cc1)F 1458a_100000749702_100011217392 [0,1,0,0,0,0|1,0,2]=4 945 B15R1.139 C=CCCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000754431 [0,1,0,0,0,0|1,0,2]=4 946 B15R1.139 C=CCCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000754431 [0,1,0,0,0,0|1,0,2]=4 947 B15R1.139 C=CCCC(=O)CCc1ccc(cc1)O 1458a_100000749702_100009816426 [0,1,0,0,0,0|1,0,2]=4 948 B15R1.139 C=CCCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000754431 [0,1,0,0,0,0|2,0,1]=4 949 B15R1.139 C=CCCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000754431 [0,1,0,0,0,0|2,0,1]=4 950 B15R1.139 C=CCCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000754431 [0,1,0,0,0,0|2,0,1]=4 951 B15R1.139 C=CCCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000754431 [0,1,0,0,0,0|2,0,1]=4 952 B15R1.139 C=CCCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000754431 [0,1,0,0,0,0|2,0,1]=4 953 B15R1.139 C=CCCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000754431 [0,1,0,0,0,0|2,0,1]=4 954 B15R1.139 C=CCCC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100000754431 [0,1,0,0,0,0|2,0,1]=4 955 B15R1.139 C=CCCC(=O)CSc1ccc(cc1)C 1458a_100000179497_100000754431 [0,1,0,0,0,0|2,0,1]=4 956 B15R1.139 C=CCCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000754431 [0,1,0,0,0,0|2,0,1]=4 957 B15R1.139 C=CCCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100000754431 [0,1,0,0,0,0|2,0,1]=4 958 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000749702 [0,1,0,0,0,0|2,0,1]=4 959 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000749702 [0,1,0,0,0,0|2,0,1]=4 960 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000749702 [0,1,0,0,0,0|2,0,1]=4 961 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000749702 [0,1,0,0,0,0|2,0,1]=4 962 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)C 11a_100000174908_100000749702 [0,1,0,0,0,0|2,0,1]=4 963 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)C 1626a_100000174908_100000749702 [0,1,0,0,0,0|2,0,1]=4 964 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)C 240690a_100000174908_100000749702 [0,1,0,0,0,0|2,0,1]=4 965 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)C 527a_100000174908_100000749702 [0,1,0,0,0,0|2,0,1]=4 966 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000749702 [0,1,0,0,0,0|2,0,1]=4 967 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000749702 [0,1,0,0,0,0|2,0,1]=4 968 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000749702 [0,1,0,0,0,0|2,0,1]=4 969 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100000749702 [0,1,0,0,0,0|2,0,1]=4 970 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)F 11a_100000174882_100000749702 [0,1,0,0,0,0|2,0,1]=4 971 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000749702 [0,1,0,0,0,0|2,0,1]=4 972 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100000749702 [0,1,0,0,0,0|2,0,1]=4 973 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)F 527a_100000174882_100000749702 [0,1,0,0,0,0|2,0,1]=4 974 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)I 11a_100016989417_100000749702 [0,1,0,0,0,0|2,0,1]=4 975 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000749702 [0,1,0,0,0,0|2,0,1]=4 976 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000749702 [0,1,0,0,0,0|2,0,1]=4 977 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)I 527a_100016989417_100000749702 [0,1,0,0,0,0|2,0,1]=4 978 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000749702 [0,1,0,0,0,0|2,0,1]=4 979 B15R1.139 C=CCCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000749702 [0,1,0,0,0,0|2,0,1]=4 980 B15R1.139 C=CCCC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000749702 [0,1,0,0,0,0|3,0,0]=4 981 B15R1.139 C=CCCC(=O)NNc1ccc(cc1)C 22a_100000683527_100000749702 [0,1,0,0,0,0|3,0,0]=4 982 B15R1.139 C=CCCC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000749702 [0,1,0,0,0,0|3,0,0]=4 983 B15R1.139 C=CCCC(=O)NNc1ccc(cc1)F 22a_100000728448_100000749702 [0,1,0,0,0,0|3,0,0]=4 984 B15R1.139 C=CCCC(=O)NNc1ccc(cc1)I 22a_100016988836_100000749702 [0,1,0,0,0,0|3,0,0]=4 985 B15R1.139 C=CCNC(=O)C#Cc1ccc(cc1)Cl 240690a_100020586998_100011892723 [0,1,0,0,0,0|1,0,2]=4 986 B15R1.139 C=CCNC(=O)C#Cc1ccc(cc1)F 240690a_100020586998_100000238512 [0,1,0,0,0,0|1,0,2]=4 987 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100020586998_100016267368 [0,1,0,0,0,0|1,0,0]=2 988 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)C 1626a_100020586998_100000716854 [0,1,0,0,0,0|1,0,0]=2 989 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)C 240690a_100020586998_100000716854 [0,1,0,0,0,0|1,0,0]=2 990 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020586998_100000184863 [0,1,0,0,0,0|1,0,0]=2 991 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020586998_100000184863 [0,1,0,0,0,0|1,0,0]=2 992 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)F 1626a_100020586998_100000182136 [0,1,0,0,0,0|1,0,0]=2 993 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)F 240690a_100020586998_100000182136 [0,1,0,0,0,0|1,0,0]=2 994 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)I 1626a_100020586998_100102526154 [0,1,0,0,0,0|1,0,0]=2 995 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)I 240690a_100020586998_100102526154 [0,1,0,0,0,0|1,0,0]=2 996 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)O 240690a_100020586998_100016269017 [0,1,0,0,0,0|1,0,0]=2 997 B15R1.139 C=CCNC(=O)C=Cc1ccc(cn1)F 1626a_100020586998_100020630499 [0,1,0,0,0,0|2,0,0]=3 998 B15R1.139 C=CCNC(=O)C=Cc1ccc(cn1)F 240690a_100020586998_100020630499 [0,1,0,0,0,0|2,0,0]=3 999 B15R1.139 C=CCNC(=O)C=Cc1ccc(nc1)Br 1626a_100020586998_100020588214 [0,1,0,0,0,0|2,0,0]=3 1000 B15R1.139 C=CCNC(=O)C=Cc1ccc(nc1)Br 240690a_100020586998_100020588214 [0,1,0,0,0,0|2,0,0]=3 1001 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)Br 1626a_100020586998_100000217147 [0,1,0,0,0,0|1,0,2]=4 1002 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)Br 240690a_100020586998_100000217147 [0,1,0,0,0,0|1,0,2]=4 1003 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)Br 527a_100020586998_100000217147 [0,1,0,0,0,0|1,0,2]=4 1004 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)C 1626a_100020586998_100000234883 [0,1,0,0,0,0|1,0,2]=4 1005 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)C 240690a_100020586998_100000234883 [0,1,0,0,0,0|1,0,2]=4 1006 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)C 527a_100020586998_100000234883 [0,1,0,0,0,0|1,0,2]=4 1007 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)Cl 1626a_100020586998_100000235379 [0,1,0,0,0,0|1,0,2]=4 1008 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)Cl 240690a_100020586998_100000235379 [0,1,0,0,0,0|1,0,2]=4 1009 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)Cl 527a_100020586998_100000235379 [0,1,0,0,0,0|1,0,2]=4 1010 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)F 1626a_100020586998_100000198493 [0,1,0,0,0,0|1,0,2]=4 1011 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)F 240690a_100020586998_100000198493 [0,1,0,0,0,0|1,0,2]=4 1012 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)F 527a_100020586998_100000198493 [0,1,0,0,0,0|1,0,2]=4 1013 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)I 1626a_100020586998_100011217499 [0,1,0,0,0,0|1,0,2]=4 1014 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)I 240690a_100020586998_100011217499 [0,1,0,0,0,0|1,0,2]=4 1015 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)I 527a_100020586998_100011217499 [0,1,0,0,0,0|1,0,2]=4 1016 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)O 240690a_100020586998_100000742835 [0,1,0,0,0,0|1,0,2]=4 1017 B15R1.139 C=CCNC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000183597 [0,1,0,0,0,0|2,0,1]=4 1018 B15R1.139 C=CCNC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000183597 [0,1,0,0,0,0|2,0,1]=4 1019 B15R1.139 C=CCNC(=O)COc1ccc(cc1)Br 1626a_100020586998_100000182358 [0,1,0,0,0,0|2,0,1]=4 1020 B15R1.139 C=CCNC(=O)COc1ccc(cc1)Br 240690a_100020586998_100000182358 [0,1,0,0,0,0|2,0,1]=4 1021 B15R1.139 C=CCNC(=O)COc1ccc(cc1)Br 527a_100020586998_100000182358 [0,1,0,0,0,0|2,0,1]=4 1022 B15R1.139 C=CCNC(=O)COc1ccc(cc1)Br 7a_100000185759_100000183597 [0,1,0,0,0,0|2,0,1]=4 1023 B15R1.139 C=CCNC(=O)COc1ccc(cc1)C 1626a_100020586998_100000182360 [0,1,0,0,0,0|2,0,1]=4 1024 B15R1.139 C=CCNC(=O)COc1ccc(cc1)C 240690a_100020586998_100000182360 [0,1,0,0,0,0|2,0,1]=4 1025 B15R1.139 C=CCNC(=O)COc1ccc(cc1)C 527a_100020586998_100000182360 [0,1,0,0,0,0|2,0,1]=4 1026 B15R1.139 C=CCNC(=O)COc1ccc(cc1)C 7a_100000210336_100000183597 [0,1,0,0,0,0|2,0,1]=4 1027 B15R1.139 C=CCNC(=O)COc1ccc(cc1)Cl 1626a_100020586998_100016990877 [0,1,0,0,0,0|2,0,1]=4 1028 B15R1.139 C=CCNC(=O)COc1ccc(cc1)Cl 240690a_100020586998_100016990877 [0,1,0,0,0,0|2,0,1]=4 1029 B15R1.139 C=CCNC(=O)COc1ccc(cc1)Cl 527a_100020586998_100016990877 [0,1,0,0,0,0|2,0,1]=4 1030 B15R1.139 C=CCNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183597 [0,1,0,0,0,0|2,0,1]=4 1031 B15R1.139 C=CCNC(=O)COc1ccc(cc1)F 1626a_100020586998_100000184765 [0,1,0,0,0,0|2,0,1]=4 1032 B15R1.139 C=CCNC(=O)COc1ccc(cc1)F 240690a_100020586998_100000184765 [0,1,0,0,0,0|2,0,1]=4 1033 B15R1.139 C=CCNC(=O)COc1ccc(cc1)F 527a_100020586998_100000184765 [0,1,0,0,0,0|2,0,1]=4 1034 B15R1.139 C=CCNC(=O)COc1ccc(cc1)I 1626a_100020586998_100000184369 [0,1,0,0,0,0|2,0,1]=4 1035 B15R1.139 C=CCNC(=O)COc1ccc(cc1)I 240690a_100020586998_100000184369 [0,1,0,0,0,0|2,0,1]=4 1036 B15R1.139 C=CCNC(=O)COc1ccc(cc1)I 527a_100020586998_100000184369 [0,1,0,0,0,0|2,0,1]=4 1037 B15R1.139 C=CCNC(=O)COc1ccc(cc1)I 7a_100000212066_100000183597 [0,1,0,0,0,0|2,0,1]=4 1038 B15R1.139 C=CCNC(=O)COc1ccc(cc1)O 240690a_100020586998_100000031633 [0,1,0,0,0,0|2,0,1]=4 1039 B15R1.139 C=CCNC(=O)COc1ccc(cc1)O 527a_100020586998_100000031633 [0,1,0,0,0,0|2,0,1]=4 1040 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)Br 1626a_100020586998_100000179496 [0,1,0,0,0,0|2,0,1]=4 1041 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)Br 240690a_100020586998_100000179496 [0,1,0,0,0,0|2,0,1]=4 1042 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)Br 527a_100020586998_100000179496 [0,1,0,0,0,0|2,0,1]=4 1043 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)Br 62a_100000183597_100000752885 [0,1,0,0,0,0|2,0,1]=4 1044 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000183597 [0,1,0,0,0,0|2,0,1]=4 1045 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)C 1626a_100020586998_100000179497 [0,1,0,0,0,0|2,0,1]=4 1046 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)C 240690a_100020586998_100000179497 [0,1,0,0,0,0|2,0,1]=4 1047 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)C 527a_100020586998_100000179497 [0,1,0,0,0,0|2,0,1]=4 1048 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)C 62a_100000183597_100000186775 [0,1,0,0,0,0|2,0,1]=4 1049 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)C 62a_100000186775_100000183597 [0,1,0,0,0,0|2,0,1]=4 1050 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)Cl 1626a_100020586998_100000178402 [0,1,0,0,0,0|2,0,1]=4 1051 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)Cl 240690a_100020586998_100000178402 [0,1,0,0,0,0|2,0,1]=4 1052 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)Cl 527a_100020586998_100000178402 [0,1,0,0,0,0|2,0,1]=4 1053 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)Cl 62a_100000183597_100000755918 [0,1,0,0,0,0|2,0,1]=4 1054 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000183597 [0,1,0,0,0,0|2,0,1]=4 1055 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)F 1626a_100020586998_100000691584 [0,1,0,0,0,0|2,0,1]=4 1056 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)F 240690a_100020586998_100000691584 [0,1,0,0,0,0|2,0,1]=4 1057 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)F 527a_100020586998_100000691584 [0,1,0,0,0,0|2,0,1]=4 1058 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)F 62a_100000183597_100000211213 [0,1,0,0,0,0|2,0,1]=4 1059 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)F 62a_100000211213_100000183597 [0,1,0,0,0,0|2,0,1]=4 1060 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)N 62a_100000183597_100000185761 [0,1,0,0,0,0|2,0,1]=4 1061 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)N 62a_100000185761_100000183597 [0,1,0,0,0,0|2,0,1]=4 1062 B15R1.139 C=CCNC(=O)CSc1ccc(cc1)O 62a_100000183597_100000185759 [0,1,0,0,0,0|2,0,1]=4 1063 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_100020586998 [0,1,0,0,0,0|2,0,1]=4 1064 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100020586998 [0,1,0,0,0,0|2,0,1]=4 1065 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)Br 273464a_100020586998_100000174875 [0,1,0,0,0,0|2,0,1]=4 1066 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)Br 512a_100000174875_100020586998 [0,1,0,0,0,0|2,0,1]=4 1067 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)Br 512a_100020586998_100000174875 [0,1,0,0,0,0|2,0,1]=4 1068 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)C 2708a_100000174908_100020586998 [0,1,0,0,0,0|2,0,1]=4 1069 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)C 273464a_100000174908_100020586998 [0,1,0,0,0,0|2,0,1]=4 1070 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)C 273464a_100020586998_100000174908 [0,1,0,0,0,0|2,0,1]=4 1071 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)C 512a_100000174908_100020586998 [0,1,0,0,0,0|2,0,1]=4 1072 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)C 512a_100020586998_100000174908 [0,1,0,0,0,0|2,0,1]=4 1073 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_100020586998 [0,1,0,0,0,0|2,0,1]=4 1074 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100020586998 [0,1,0,0,0,0|2,0,1]=4 1075 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)Cl 273464a_100020586998_100000174871 [0,1,0,0,0,0|2,0,1]=4 1076 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)Cl 512a_100020586998_100000174871 [0,1,0,0,0,0|2,0,1]=4 1077 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)F 2708a_100000174882_100020586998 [0,1,0,0,0,0|2,0,1]=4 1078 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)F 273464a_100000174882_100020586998 [0,1,0,0,0,0|2,0,1]=4 1079 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)F 273464a_100020586998_100000174882 [0,1,0,0,0,0|2,0,1]=4 1080 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)F 512a_100000174882_100020586998 [0,1,0,0,0,0|2,0,1]=4 1081 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)F 512a_100020586998_100000174882 [0,1,0,0,0,0|2,0,1]=4 1082 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)I 2708a_100016989417_100020586998 [0,1,0,0,0,0|2,0,1]=4 1083 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100020586998 [0,1,0,0,0,0|2,0,1]=4 1084 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)I 273464a_100020586998_100016989417 [0,1,0,0,0,0|2,0,1]=4 1085 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)I 512a_100016989417_100020586998 [0,1,0,0,0,0|2,0,1]=4 1086 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)I 512a_100020586998_100016989417 [0,1,0,0,0,0|2,0,1]=4 1087 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)O 2708a_100000185549_100020586998 [0,1,0,0,0,0|2,0,1]=4 1088 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100020586998 [0,1,0,0,0,0|2,0,1]=4 1089 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)O 273464a_100020586998_100000185549 [0,1,0,0,0,0|2,0,1]=4 1090 B15R1.139 C=CCNC(=O)NCc1ccc(cc1)O 512a_100020586998_100000185549 [0,1,0,0,0,0|2,0,1]=4 1091 B15R1.139 C=CCNC(=O)NNc1ccc(cc1)Br 273464a_100020586998_100000735608 [0,1,0,0,0,0|3,0,0]=4 1092 B15R1.139 C=CCNC(=O)NNc1ccc(cc1)Br 512a_100020586998_100000735608 [0,1,0,0,0,0|3,0,0]=4 1093 B15R1.139 C=CCNC(=O)NNc1ccc(cc1)C 273464a_100020586998_100000683527 [0,1,0,0,0,0|3,0,0]=4 1094 B15R1.139 C=CCNC(=O)NNc1ccc(cc1)C 512a_100020586998_100000683527 [0,1,0,0,0,0|3,0,0]=4 1095 B15R1.139 C=CCNC(=O)NNc1ccc(cc1)Cl 273464a_100020586998_100000683521 [0,1,0,0,0,0|3,0,0]=4 1096 B15R1.139 C=CCNC(=O)NNc1ccc(cc1)Cl 512a_100020586998_100000683521 [0,1,0,0,0,0|3,0,0]=4 1097 B15R1.139 C=CCNC(=O)NNc1ccc(cc1)F 273464a_100020586998_100000728448 [0,1,0,0,0,0|3,0,0]=4 1098 B15R1.139 C=CCNC(=O)NNc1ccc(cc1)F 512a_100020586998_100000728448 [0,1,0,0,0,0|3,0,0]=4 1099 B15R1.139 C=CCNC(=O)NNc1ccc(cc1)I 273464a_100020586998_100016988836 [0,1,0,0,0,0|3,0,0]=4 1100 B15R1.139 C=CCNC(=O)NNc1ccc(cc1)I 512a_100020586998_100016988836 [0,1,0,0,0,0|3,0,0]=4 1101 B15R1.139 C=CCOC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000033060 [0,1,0,0,0,0|1,0,1]=3 1102 B15R1.139 C=CCOC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000033060 [0,1,0,0,0,0|1,0,1]=3 1103 B15R1.139 C=CCOC(=O)CNc1ccc(cc1)C 34a_100000124888_100000033060 [0,1,0,0,0,0|1,0,1]=3 1104 B15R1.139 C=CCOC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000033060 [0,1,0,0,0,0|1,0,1]=3 1105 B15R1.139 C=CCOC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000033060 [0,1,0,0,0,0|1,0,1]=3 1106 B15R1.139 C=CCOC(=O)CNc1ccc(cc1)F 34a_100000185862_100000033060 [0,1,0,0,0,0|1,0,1]=3 1107 B15R1.139 C=CCOC(=O)CNc1ccc(cc1)I 34a_100000185761_100000033060 [0,1,0,0,0,0|1,0,1]=3 1108 B15R1.139 C=CCOC(=O)CNc1ccc(cc1)O 34a_100000185829_100000033060 [0,1,0,0,0,0|1,0,1]=3 1109 B15R1.139 C=CCOC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000033060 [0,1,0,0,0,0|2,0,1]=4 1110 B15R1.139 C=CCOC(=O)COc1ccc(cc1)Br 34a_100000185759_100000033060 [0,1,0,0,0,0|1,0,1]=3 1111 B15R1.139 C=CCOC(=O)COc1ccc(cc1)Br 7a_100000185759_100000033060 [0,1,0,0,0,0|1,0,1]=3 1112 B15R1.139 C=CCOC(=O)COc1ccc(cc1)C 34a_100000210336_100000033060 [0,1,0,0,0,0|1,0,1]=3 1113 B15R1.139 C=CCOC(=O)COc1ccc(cc1)C 7a_100000210336_100000033060 [0,1,0,0,0,0|1,0,1]=3 1114 B15R1.139 C=CCOC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000033060 [0,1,0,0,0,0|1,0,1]=3 1115 B15R1.139 C=CCOC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000033060 [0,1,0,0,0,0|1,0,1]=3 1116 B15R1.139 C=CCOC(=O)COc1ccc(cc1)F 34a_100000210339_100000033060 [0,1,0,0,0,0|1,0,1]=3 1117 B15R1.139 C=CCOC(=O)COc1ccc(cc1)I 34a_100000212066_100000033060 [0,1,0,0,0,0|1,0,1]=3 1118 B15R1.139 C=CCOC(=O)COc1ccc(cc1)I 7a_100000212066_100000033060 [0,1,0,0,0,0|1,0,1]=3 1119 B15R1.139 C=CCOC(=O)COc1ccc(cc1)N 34a_100000185829_100000033060 [0,1,0,0,0,0|1,0,1]=3 1120 B15R1.139 C=CCOC(=O)COc1ccc(cn1)C 34a_100000759353_100000033060 [0,1,0,0,0,0|2,0,1]=4 1121 B15R1.139 C=CCOC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000033060 [0,1,0,0,0,0|2,0,1]=4 1122 B15R1.139 C=CCOC(=O)COc1ccc(cn1)F 34a_100000742473_100000033060 [0,1,0,0,0,0|2,0,1]=4 1123 B15R1.139 C=CCOC(=O)COc1ccc(cn1)N 34a_100000729260_100000033060 [0,1,0,0,0,0|2,0,1]=4 1124 B15R1.139 C=CCOC(=O)COc1ccc(nc1)Br 34a_100000685995_100000033060 [0,1,0,0,0,0|2,0,1]=4 1125 B15R1.139 C=CCOC(=O)COc1ccc(nc1)Br 7a_100000685995_100000033060 [0,1,0,0,0,0|2,0,1]=4 1126 B15R1.139 C=CCOC(=O)COc1ccc(nc1)C 34a_100000745506_100000033060 [0,1,0,0,0,0|2,0,1]=4 1127 B15R1.139 C=CCOC(=O)COc1ccc(nc1)C 7a_100000745506_100000033060 [0,1,0,0,0,0|2,0,1]=4 1128 B15R1.139 C=CCOC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000033060 [0,1,0,0,0,0|2,0,1]=4 1129 B15R1.139 C=CCOC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000033060 [0,1,0,0,0,0|2,0,1]=4 1130 B15R1.139 C=CCOC(=O)COc1ccc(nc1)F 34a_100000688820_100000033060 [0,1,0,0,0,0|2,0,1]=4 1131 B15R1.139 C=CCOC(=O)COc1ccc(nc1)F 7a_100000688820_100000033060 [0,1,0,0,0,0|2,0,1]=4 1132 B15R1.139 C=CCOC(=O)COc1ccc(nc1)I 34a_100000687607_100000033060 [0,1,0,0,0,0|2,0,1]=4 1133 B15R1.139 C=CCOC(=O)COc1ccc(nc1)I 7a_100000687607_100000033060 [0,1,0,0,0,0|2,0,1]=4 1134 B15R1.139 C=CCOC(=O)COc1ccc(nc1)N 34a_100015188713_100000033060 [0,1,0,0,0,0|2,0,1]=4 1135 B15R1.139 C=CCOC(=O)COc1ccc(nc1)N 7a_100015188713_100000033060 [0,1,0,0,0,0|2,0,1]=4 1136 B15R1.139 C=CCOC(=O)CSc1cc[n+](cc1)[O-] 62a_100000033060_100000039755 [0,1,0,0,0,0|2,0,1]=4 1137 B15R1.139 C=CCOC(=O)CSc1ccc(=O)[nH]c1 62a_100000033060_100000212171 [0,1,0,0,0,0|2,0,1]=4 1138 B15R1.139 C=CCOC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000033060 [0,1,0,0,0,0|2,0,1]=4 1139 B15R1.139 C=CCOC(=O)CSc1ccc(cc1)Br 62a_100000033060_100000752885 [0,1,0,0,0,0|1,0,1]=3 1140 B15R1.139 C=CCOC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000033060 [0,1,0,0,0,0|1,0,1]=3 1141 B15R1.139 C=CCOC(=O)CSc1ccc(cc1)C 62a_100000033060_100000186775 [0,1,0,0,0,0|1,0,1]=3 1142 B15R1.139 C=CCOC(=O)CSc1ccc(cc1)C 62a_100000186775_100000033060 [0,1,0,0,0,0|1,0,1]=3 1143 B15R1.139 C=CCOC(=O)CSc1ccc(cc1)Cl 62a_100000033060_100000755918 [0,1,0,0,0,0|1,0,1]=3 1144 B15R1.139 C=CCOC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000033060 [0,1,0,0,0,0|1,0,1]=3 1145 B15R1.139 C=CCOC(=O)CSc1ccc(cc1)F 62a_100000033060_100000211213 [0,1,0,0,0,0|1,0,1]=3 1146 B15R1.139 C=CCOC(=O)CSc1ccc(cc1)F 62a_100000211213_100000033060 [0,1,0,0,0,0|1,0,1]=3 1147 B15R1.139 C=CCOC(=O)CSc1ccc(cc1)N 62a_100000033060_100000185761 [0,1,0,0,0,0|1,0,1]=3 1148 B15R1.139 C=CCOC(=O)CSc1ccc(cc1)N 62a_100000185761_100000033060 [0,1,0,0,0,0|1,0,1]=3 1149 B15R1.139 C=CCOC(=O)CSc1ccc(cc1)O 62a_100000033060_100000185759 [0,1,0,0,0,0|1,0,1]=3 1150 B15R1.139 C=CCOC(=O)CSc1ccc(cn1)Br 62a_100000033060_100000686858 [0,1,0,0,0,0|2,0,1]=4 1151 B15R1.139 C=CCOC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000033060 [0,1,0,0,0,0|2,0,1]=4 1152 B15R1.139 C=CCOC(=O)CSc1ccc(cn1)C 62a_100000033060_100000754016 [0,1,0,0,0,0|2,0,1]=4 1153 B15R1.139 C=CCOC(=O)CSc1ccc(cn1)C 62a_100011192072_100000033060 [0,1,0,0,0,0|2,0,1]=4 1154 B15R1.139 C=CCOC(=O)CSc1ccc(cn1)Cl 62a_100000033060_100011356976 [0,1,0,0,0,0|2,0,1]=4 1155 B15R1.139 C=CCOC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000033060 [0,1,0,0,0,0|2,0,1]=4 1156 B15R1.139 C=CCOC(=O)CSc1ccc(cn1)F 62a_100000033060_100000744514 [0,1,0,0,0,0|2,0,1]=4 1157 B15R1.139 C=CCOC(=O)CSc1ccc(cn1)F 62a_100000744514_100000033060 [0,1,0,0,0,0|2,0,1]=4 1158 B15R1.139 C=CCOC(=O)CSc1ccc(cn1)N 62a_100000033060_100000737798 [0,1,0,0,0,0|2,0,1]=4 1159 B15R1.139 C=CCOC(=O)CSc1ccc(cn1)N 62a_100000737798_100000033060 [0,1,0,0,0,0|2,0,1]=4 1160 B15R1.139 C=CCOC(=O)CSc1ccc(cn1)O 62a_100000033060_100000744096 [0,1,0,0,0,0|2,0,1]=4 1161 B15R1.139 C=CCOC(=O)CSc1ccc(cn1)O 62a_100000685995_100000033060 [0,1,0,0,0,0|2,0,1]=4 1162 B15R1.139 C=CCOC(=O)CSc1ccc(nc1)Br 62a_100000033060_100009814638 [0,1,0,0,0,0|2,0,1]=4 1163 B15R1.139 C=CCOC(=O)CSc1ccc(nc1)Br 62a_100009814638_100000033060 [0,1,0,0,0,0|2,0,1]=4 1164 B15R1.139 C=CCOC(=O)CSc1ccc(nc1)C 62a_100000033060_100000751577 [0,1,0,0,0,0|2,0,1]=4 1165 B15R1.139 C=CCOC(=O)CSc1ccc(nc1)C 62a_100000751577_100000033060 [0,1,0,0,0,0|2,0,1]=4 1166 B15R1.139 C=CCOC(=O)CSc1ccc(nc1)Cl 62a_100000033060_100000034144 [0,1,0,0,0,0|2,0,1]=4 1167 B15R1.139 C=CCOC(=O)CSc1ccc(nc1)Cl 62a_100000034144_100000033060 [0,1,0,0,0,0|2,0,1]=4 1168 B15R1.139 C=CCOC(=O)CSc1ccc(nc1)F 62a_100000033060_100000042367 [0,1,0,0,0,0|2,0,1]=4 1169 B15R1.139 C=CCOC(=O)CSc1ccc(nc1)F 62a_100000042367_100000033060 [0,1,0,0,0,0|2,0,1]=4 1170 B15R1.139 C=CCOC(=O)CSc1ccc(nc1)N 62a_100000033060_100000187370 [0,1,0,0,0,0|2,0,1]=4 1171 B15R1.139 C=CCOC(=O)CSc1ccc(nc1)N 62a_100000187370_100000033060 [0,1,0,0,0,0|2,0,1]=4 1172 B15R1.139 CC=CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000070051 [0,1,0,0,0,0|1,0,2]=4 1173 B15R1.139 CC=CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000070051 [0,1,0,0,0,0|1,0,2]=4 1174 B15R1.139 CC=CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000070051 [0,1,0,0,0,0|1,0,2]=4 1175 B15R1.139 CC=CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000070051 [0,1,0,0,0,0|1,0,2]=4 1176 B15R1.139 CC=CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000070051 [0,1,0,0,0,0|1,0,2]=4 1177 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210211 [0,1,0,0,0,0|1,0,2]=4 1178 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000032102 [0,1,0,0,0,0|1,0,2]=4 1179 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210211 [0,1,0,0,0,0|1,0,2]=4 1180 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210211 [0,1,0,0,0,0|1,0,2]=4 1181 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210211 [0,1,0,0,0,0|1,0,2]=4 1182 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000032102 [0,1,0,0,0,0|1,0,2]=4 1183 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210211 [0,1,0,0,0,0|1,0,2]=4 1184 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000032102 [0,1,0,0,0,0|1,0,2]=4 1185 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br 11a_100020643023_100016267368 [0,1,0,0,0,0|1,0,2]=4 1186 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100020643023_100016267368 [0,1,0,0,0,0|1,0,2]=4 1187 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C 11a_100020643023_100000716854 [0,1,0,0,0,0|1,0,2]=4 1188 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C 1626a_100020643023_100000716854 [0,1,0,0,0,0|1,0,2]=4 1189 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C 240690a_100020643023_100000716854 [0,1,0,0,0,0|1,0,2]=4 1190 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100020643023_100000184863 [0,1,0,0,0,0|1,0,2]=4 1191 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020643023_100000184863 [0,1,0,0,0,0|1,0,2]=4 1192 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020643023_100000184863 [0,1,0,0,0,0|1,0,2]=4 1193 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F 11a_100020643023_100000182136 [0,1,0,0,0,0|1,0,2]=4 1194 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F 1626a_100020643023_100000182136 [0,1,0,0,0,0|1,0,2]=4 1195 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F 240690a_100020643023_100000182136 [0,1,0,0,0,0|1,0,2]=4 1196 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)I 11a_100020643023_100102526154 [0,1,0,0,0,0|1,0,2]=4 1197 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)I 1626a_100020643023_100102526154 [0,1,0,0,0,0|1,0,2]=4 1198 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)I 240690a_100020643023_100102526154 [0,1,0,0,0,0|1,0,2]=4 1199 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)O 240690a_100020643023_100016269017 [0,1,0,0,0,0|1,0,2]=4 1200 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000233755 [0,1,0,0,0,0|2,0,1]=4 1201 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000742357 [0,1,0,0,0,0|2,0,1]=4 1202 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000233755 [0,1,0,0,0,0|2,0,1]=4 1203 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000233755 [0,1,0,0,0,0|2,0,1]=4 1204 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000233755 [0,1,0,0,0,0|2,0,1]=4 1205 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000742357 [0,1,0,0,0,0|2,0,1]=4 1206 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000233755 [0,1,0,0,0,0|2,0,1]=4 1207 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000742357 [0,1,0,0,0,0|2,0,1]=4 1208 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000751147 [0,1,0,0,0,0|2,0,1]=4 1209 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011217047 [0,1,0,0,0,0|2,0,1]=4 1210 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000751147 [0,1,0,0,0,0|2,0,1]=4 1211 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000751147 [0,1,0,0,0,0|2,0,1]=4 1212 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000751147 [0,1,0,0,0,0|2,0,1]=4 1213 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011217047 [0,1,0,0,0,0|2,0,1]=4 1214 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000751147 [0,1,0,0,0,0|2,0,1]=4 1215 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011217047 [0,1,0,0,0,0|2,0,1]=4 1216 B15R1.139 Cc1ccc(cc1)C=CC(=O)CCC#N 1458a_100000716854_100011215226 [0,1,0,0,0,0|2,0,1]=4 1217 B15R1.139 Cc1ccc(cc1)C=CC(=O)CCCF 1458a_100000716854_100011934791 [0,1,0,0,0,0|2,0,1]=4 1218 B15R1.139 Cc1ccc(cc1)C=CC(=O)CCCO 1458a_100000716854_100011215043 [0,1,0,0,0,0|2,0,1]=4 1219 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCC#N 1626a_100000734998_100000716854 [0,1,0,0,0,0|2,0,1]=4 1220 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF 11a_100000724931_100000716854 [0,1,0,0,0,0|2,0,1]=4 1221 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF 1626a_100000724931_100000716854 [0,1,0,0,0,0|2,0,1]=4 1222 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF 240690a_100000724931_100000716854 [0,1,0,0,0,0|2,0,1]=4 1223 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCO 240690a_100000210304_100000716854 [0,1,0,0,0,0|2,0,1]=4 1224 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011215226 [0,1,0,0,0,0|2,0,1]=4 1225 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011215226 [0,1,0,0,0,0|2,0,1]=4 1226 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011215226 [0,1,0,0,0,0|2,0,1]=4 1227 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011215226 [0,1,0,0,0,0|2,0,1]=4 1228 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000734998_100016267368 [0,1,0,0,0,0|2,0,1]=4 1229 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000734998_100000184863 [0,1,0,0,0,0|2,0,1]=4 1230 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)F 1626a_100000734998_100000182136 [0,1,0,0,0,0|2,0,1]=4 1231 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)I 1626a_100000734998_100102526154 [0,1,0,0,0,0|2,0,1]=4 1232 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCBr 6a_100000186029_100000685027 [0,1,0,0,0,0|2,0,1]=4 1233 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCCl 6a_100000186029_100011215641 [0,1,0,0,0,0|2,0,1]=4 1234 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCF 1458a_100016267368_100011934791 [0,1,0,0,0,0|2,0,1]=4 1235 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCO 1458a_100016267368_100011215043 [0,1,0,0,0,0|2,0,1]=4 1236 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF 11a_100000724931_100016267368 [0,1,0,0,0,0|2,0,1]=4 1237 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF 1626a_100000724931_100016267368 [0,1,0,0,0,0|2,0,1]=4 1238 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)CCCF 1458a_100000184863_100011934791 [0,1,0,0,0,0|2,0,1]=4 1239 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)CCCO 1458a_100000184863_100011215043 [0,1,0,0,0,0|2,0,1]=4 1240 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF 11a_100000724931_100000184863 [0,1,0,0,0,0|2,0,1]=4 1241 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF 1626a_100000724931_100000184863 [0,1,0,0,0,0|2,0,1]=4 1242 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF 240690a_100000724931_100000184863 [0,1,0,0,0,0|2,0,1]=4 1243 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCO 240690a_100000210304_100000184863 [0,1,0,0,0,0|2,0,1]=4 1244 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCBr 6a_100000210084_100000685027 [0,1,0,0,0,0|2,0,1]=4 1245 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCCl 6a_100000210084_100011215641 [0,1,0,0,0,0|2,0,1]=4 1246 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCF 1458a_100000182136_100011934791 [0,1,0,0,0,0|2,0,1]=4 1247 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCO 1458a_100000182136_100011215043 [0,1,0,0,0,0|2,0,1]=4 1248 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF 11a_100000724931_100000182136 [0,1,0,0,0,0|2,0,1]=4 1249 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF 1626a_100000724931_100000182136 [0,1,0,0,0,0|2,0,1]=4 1250 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF 240690a_100000724931_100000182136 [0,1,0,0,0,0|2,0,1]=4 1251 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCO 240690a_100000210304_100000182136 [0,1,0,0,0,0|2,0,1]=4 1252 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCBr 6a_100000188517_100000685027 [0,1,0,0,0,0|2,0,1]=4 1253 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCCl 6a_100000188517_100011215641 [0,1,0,0,0,0|2,0,1]=4 1254 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCF 1458a_100102526154_100011934791 [0,1,0,0,0,0|2,0,1]=4 1255 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCO 1458a_100102526154_100011215043 [0,1,0,0,0,0|2,0,1]=4 1256 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCF 11a_100000724931_100102526154 [0,1,0,0,0,0|2,0,1]=4 1257 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCF 1626a_100000724931_100102526154 [0,1,0,0,0,0|2,0,1]=4 1258 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCF 240690a_100000724931_100102526154 [0,1,0,0,0,0|2,0,1]=4 1259 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCO 240690a_100000210304_100102526154 [0,1,0,0,0,0|2,0,1]=4 1260 B15R1.139 O=C(C=Cc1ccc(cc1)O)NCCF 240690a_100000724931_100016269017 [0,1,0,0,0,0|2,0,1]=4 1261 B15R1.139 O=C(C=Cc1ccc(cc1)O)NCCO 240690a_100000210304_100016269017 [0,1,0,0,0,0|2,0,1]=4 1262 B15R1.551 C#CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000753159 [0,1,0,0,0,0|1,0,2]=4 1263 B15R1.551 C#CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000753159 [0,1,0,0,0,0|1,0,2]=4 1264 B15R1.551 C#CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000753159 [0,1,0,0,0,0|1,0,2]=4 1265 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/C 11a_100000212058_100016990649 [0,1,0,0,0,0|1,0,2]=4 1266 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000212058_100016990649 [0,1,0,0,0,0|1,0,2]=4 1267 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/C 527a_100000212058_100016990649 [0,1,0,0,0,0|1,0,2]=4 1268 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000212058_200020598536 [0,1,0,0,0,0|1,0,2]=4 1269 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000212058_200020598536 [0,1,0,0,0,0|1,0,2]=4 1270 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000212058_200020598536 [0,1,0,0,0,0|1,0,2]=4 1271 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000212058_200020598536 [0,1,0,0,0,0|1,0,2]=4 1272 B15R1.551 C#CCNC(=O)/C(=C\c1ccccc1)/F 11a_100000212058_100020889036 [0,1,0,0,0,0|1,0,2]=4 1273 B15R1.551 C#CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000212058_100020889036 [0,1,0,0,0,0|1,0,2]=4 1274 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCC#N 1458a_100016990649_100011215226 [0,1,0,0,0,0|2,0,1]=4 1275 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCCF 1458a_100016990649_100011934791 [0,1,0,0,0,0|2,0,1]=4 1276 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCCO 1458a_100016990649_100011215043 [0,1,0,0,0,0|2,0,1]=4 1277 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCC#N 1626a_100000734998_100016990649 [0,1,0,0,0,0|2,0,1]=4 1278 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCC#N 527a_100000734998_100016990649 [0,1,0,0,0,0|2,0,1]=4 1279 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCF 11a_100000724931_100016990649 [0,1,0,0,0,0|2,0,1]=4 1280 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCF 1626a_100000724931_100016990649 [0,1,0,0,0,0|2,0,1]=4 1281 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCF 527a_100000724931_100016990649 [0,1,0,0,0,0|2,0,1]=4 1282 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCO 527a_100000210304_100016990649 [0,1,0,0,0,0|2,0,1]=4 1283 B15R1.551 C/C=C/CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100102629194 [0,1,0,0,0,0|1,0,2]=4 1284 B15R1.551 C/C=C/CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100102629194 [0,1,0,0,0,0|1,0,2]=4 1285 B15R1.551 C/C=C/CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100102629194 [0,1,0,0,0,0|1,0,2]=4 1286 B15R1.551 C=CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000754431 [0,1,0,0,0,0|1,0,0]=2 1287 B15R1.551 C=CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000754431 [0,1,0,0,0,0|1,0,0]=2 1288 B15R1.551 C=CCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000754431 [0,1,0,0,0,0|2,0,0]=3 1289 B15R1.551 C=CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000754431 [0,1,0,0,0,0|1,0,0]=2 1290 B15R1.551 C=CCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000754431 [0,1,0,0,0,0|2,0,0]=3 1291 B15R1.551 C=CCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000754431 [0,1,0,0,0,0|2,0,0]=3 1292 B15R1.551 C=CCCC(=O)C(C)Cc1ccccc1 1458a_100000749702_200011218536 [0,1,0,0,0,0|1,0,2]=4 1293 B15R1.551 C=CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000754431 [0,1,0,0,0,0|1,0,2]=4 1294 B15R1.551 C=CCCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000754431 [0,1,0,0,0,0|2,0,1]=4 1295 B15R1.551 C=CCCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000754431 [0,1,0,0,0,0|2,0,1]=4 1296 B15R1.551 C=CCCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000749702 [0,1,0,0,0,0|2,0,1]=4 1297 B15R1.551 C=CCCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000749702 [0,1,0,0,0,0|2,0,1]=4 1298 B15R1.551 C=CCCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000749702 [0,1,0,0,0,0|2,0,1]=4 1299 B15R1.551 C=CCCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000749702 [0,1,0,0,0,0|2,0,1]=4 1300 B15R1.551 C=CCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000754431 [0,1,0,0,0,0|1,0,2]=4 1301 B15R1.551 C=CCNC(=O)/C(=C/c1ccccc1)/C 1626a_100020586998_100016990649 [0,1,0,0,0,0|1,0,0]=2 1302 B15R1.551 C=CCNC(=O)/C(=C/c1ccccc1)/C 527a_100020586998_100016990649 [0,1,0,0,0,0|1,0,0]=2 1303 B15R1.551 C=CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020586998_200020598536 [0,1,0,0,0,0|1,0,0]=2 1304 B15R1.551 C=CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020586998_200020598536 [0,1,0,0,0,0|1,0,0]=2 1305 B15R1.551 C=CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020586998_200020598536 [0,1,0,0,0,0|1,0,0]=2 1306 B15R1.551 C=CCNC(=O)/C(=C/c1ccccn1)/C 1626a_100020586998_100025712827 [0,1,0,0,0,0|2,0,0]=3 1307 B15R1.551 C=CCNC(=O)/C(=C/c1ccccn1)/C 527a_100020586998_100025712827 [0,1,0,0,0,0|2,0,0]=3 1308 B15R1.551 C=CCNC(=O)/C(=C\c1ccccc1)/F 527a_100020586998_100020889036 [0,1,0,0,0,0|1,0,0]=2 1309 B15R1.551 C=CCNC(=O)C(=C)Cc1ccccc1 1626a_100020586998_100000066491 [0,1,0,0,0,0|1,0,1]=3 1310 B15R1.551 C=CCNC(=O)C(=Cc1cccnc1)F 240690a_100020586998_100000731744 [0,1,0,0,0,0|2,0,0]=3 1311 B15R1.551 C=CCNC(=O)C(=Cc1cccnc1)F 527a_100020586998_100000731744 [0,1,0,0,0,0|2,0,0]=3 1312 B15R1.551 C=CCNC(=O)C(=O)Nc1ccccc1 240690a_100020586998_100000738435 [0,1,0,0,0,0|2,0,0]=3 1313 B15R1.551 C=CCNC(=O)C(C)Cc1ccccc1 1626a_100020586998_100000754839 [0,1,0,0,0,0|1,0,2]=4 1314 B15R1.551 C=CCNC(=O)C(C)Cc1ccccc1 240690a_100020586998_100000754839 [0,1,0,0,0,0|1,0,2]=4 1315 B15R1.551 C=CCNC(=O)C(C)Cc1ccccc1 527a_100020586998_100000754839 [0,1,0,0,0,0|1,0,2]=4 1316 B15R1.551 C=CCNC(=O)C(C)Oc1ccccc1 1626a_100020586998_100000188414 [0,1,0,0,0,0|2,0,1]=4 1317 B15R1.551 C=CCNC(=O)C(C)Oc1ccccc1 240690a_100020586998_100000188414 [0,1,0,0,0,0|2,0,1]=4 1318 B15R1.551 C=CCNC(=O)C(C)Oc1ccccc1 527a_100020586998_100000188414 [0,1,0,0,0,0|2,0,1]=4 1319 B15R1.551 C=CCNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000230288 [0,1,0,0,0,0|2,0,1]=4 1320 B15R1.551 C=CCNC(=O)C(C)Sc1ccccc1 1626a_100020586998_100000199063 [0,1,0,0,0,0|2,0,1]=4 1321 B15R1.551 C=CCNC(=O)C(C)Sc1ccccc1 240690a_100020586998_100000199063 [0,1,0,0,0,0|2,0,1]=4 1322 B15R1.551 C=CCNC(=O)C(C)Sc1ccccc1 527a_100020586998_100000199063 [0,1,0,0,0,0|2,0,1]=4 1323 B15R1.551 C=CCNC(=O)C(C)Sc1ccccc1 62a_100000230288_100000041952 [0,1,0,0,0,0|2,0,1]=4 1324 B15R1.551 C=CCNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000230288 [0,1,0,0,0,0|2,0,1]=4 1325 B15R1.551 C=CCNC(=O)N(C)Cc1ccccc1 273464a_100020586998_100000186898 [0,1,0,0,0,0|2,0,1]=4 1326 B15R1.551 C=CCNC(=O)[C@H](O)Cc1ccccc1 240690a_100020586998_100009816399 [0,1,0,0,0,0|1,0,2]=4 1327 B15R1.551 C=CCOC(C)C(=O)Nc1ccccc1 34a_200000210373_100000183986 [0,1,0,0,0,0|2,0,1]=4 1328 B15R1.551 CC=CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000070051 [0,1,0,0,0,0|1,0,2]=4 1329 B15R1.551 CC=CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000070051 [0,1,0,0,0,0|1,0,2]=4 1330 B15R1.551 CC=CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000070051 [0,1,0,0,0,0|1,0,2]=4 1331 B15R1.551 CCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210211 [0,1,0,0,0,0|1,0,2]=4 1332 B15R1.551 CCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210211 [0,1,0,0,0,0|1,0,2]=4 1333 B15R1.551 CCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210211 [0,1,0,0,0,0|1,0,2]=4 1334 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 11a_100020643023_100016990649 [0,1,0,0,0,0|1,0,2]=4 1335 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100020643023_100016990649 [0,1,0,0,0,0|1,0,2]=4 1336 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 527a_100020643023_100016990649 [0,1,0,0,0,0|1,0,2]=4 1337 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100020643023_200020598536 [0,1,0,0,0,0|1,0,2]=4 1338 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020643023_200020598536 [0,1,0,0,0,0|1,0,2]=4 1339 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020643023_200020598536 [0,1,0,0,0,0|1,0,2]=4 1340 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020643023_200020598536 [0,1,0,0,0,0|1,0,2]=4 1341 B15R1.551 CCCNC(=O)/C(=C\c1ccccc1)/F 11a_100020643023_100020889036 [0,1,0,0,0,0|1,0,2]=4 1342 B15R1.551 CCCNC(=O)/C(=C\c1ccccc1)/F 527a_100020643023_100020889036 [0,1,0,0,0,0|1,0,2]=4 1343 B15R1.551 COCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000233755 [0,1,0,0,0,0|2,0,1]=4 1344 B15R1.551 COCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000233755 [0,1,0,0,0,0|2,0,1]=4 1345 B15R1.551 COCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000233755 [0,1,0,0,0,0|2,0,1]=4 1346 B15R1.551 CSCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000751147 [0,1,0,0,0,0|2,0,1]=4 1347 B15R1.551 CSCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000751147 [0,1,0,0,0,0|2,0,1]=4 1348 B15R1.551 CSCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000751147 [0,1,0,0,0,0|2,0,1]=4 1349 B15R1.551 N#CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215226 [0,1,0,0,0,0|2,0,1]=4 1350 B15R1.551 N#CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215226 [0,1,0,0,0,0|2,0,1]=4 1351 B15R1.551 N#CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000734998_200020598536 [0,1,0,0,0,0|2,0,1]=4 1352 B15R1.551 N#CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000734998_200020598536 [0,1,0,0,0,0|2,0,1]=4 1353 B15R1.551 N#CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000734998_100020889036 [0,1,0,0,0,0|2,0,1]=4 1354 B15R1.551 O=C(CCCF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011934791 [0,1,0,0,0,0|2,0,1]=4 1355 B15R1.551 O=C(CCCF)/C(=C\c1ccccc1)/F 1458a_100020889036_100011934791 [0,1,0,0,0,0|2,0,1]=4 1356 B15R1.551 O=C(CCCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215043 [0,1,0,0,0,0|2,0,1]=4 1357 B15R1.551 O=C(CCCO)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215043 [0,1,0,0,0,0|2,0,1]=4 1358 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 11a_100000724931_200020598536 [0,1,0,0,0,0|2,0,1]=4 1359 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 1626a_100000724931_200020598536 [0,1,0,0,0,0|2,0,1]=4 1360 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 240690a_100000724931_200020598536 [0,1,0,0,0,0|2,0,1]=4 1361 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 527a_100000724931_200020598536 [0,1,0,0,0,0|2,0,1]=4 1362 B15R1.551 O=C(NCCF)/C(=C\c1ccccc1)/F 11a_100000724931_100020889036 [0,1,0,0,0,0|2,0,1]=4 1363 B15R1.551 O=C(NCCF)/C(=C\c1ccccc1)/F 527a_100000724931_100020889036 [0,1,0,0,0,0|2,0,1]=4 1364 B15R1.551 O=C(NCCO)/C(=C/c1ccccc1)/Cl 240690a_100000210304_200020598536 [0,1,0,0,0,0|2,0,1]=4 1365 B15R1.551 O=C(NCCO)/C(=C/c1ccccc1)/Cl 527a_100000210304_200020598536 [0,1,0,0,0,0|2,0,1]=4 1366 B15R1.551 O=C(NCCO)/C(=C\c1ccccc1)/F 527a_100000210304_100020889036 [0,1,0,0,0,0|2,0,1]=4 1367 B15R1.741 C#CC(C)NC(=O)C=Cc1ccccc1 11a_100000707721_100000210462 [0,1,0,0,0,0|1,0,2]=4 1368 B15R1.741 C#CC(C)NC(=O)C=Cc1ccccc1 1626a_100000707721_100000210462 [0,1,0,0,0,0|1,0,2]=4 1369 B15R1.741 C=CC(C)CC(=O)CCc1ccccc1 1458a_100011934298_100000765856 [0,1,0,0,0,0|1,0,2]=4 1370 B15R1.741 C=CC(C)CC(=O)NCc1ccccc1 11a_100015324214_100011934298 [0,1,0,0,0,0|2,0,1]=4 1371 B15R1.741 C=CC(C)CC(=O)NCc1ccccc1 1626a_100015324214_100011934298 [0,1,0,0,0,0|2,0,1]=4 1372 B15R1.741 C=CC(C)CC(=O)NCc1ccccc1 240690a_100015324214_100011934298 [0,1,0,0,0,0|2,0,1]=4 1373 B15R1.741 C=CC(C)CC(=O)NCc1ccccc1 527a_100015324214_100011934298 [0,1,0,0,0,0|2,0,1]=4 1374 B15R1.741 C=CC(C)CC(=O)NNc1ccccc1 22a_100015195140_100011934298 [0,1,0,0,0,0|3,0,0]=4 1375 B15R1.741 CC(C#N)NC(=O)C=Cc1ccccc1 11a_100000737613_100000210462 [0,1,0,0,0,0|2,0,1]=4 1376 B15R1.741 CC(C#N)NC(=O)C=Cc1ccccc1 1626a_100000737613_100000210462 [0,1,0,0,0,0|2,0,1]=4 1377 B15R1.741 CCC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000748023 [0,1,0,0,0,0|1,0,2]=4 1378 B15R1.741 CCC(C)NC(=O)C=Cc1ccccc1 11a_100000209981_100000210462 [0,1,0,0,0,0|1,0,2]=4 1379 B15R1.741 CCC(C)NC(=O)C=Cc1ccccc1 1626a_100000209981_100000210462 [0,1,0,0,0,0|1,0,2]=4 1380 B15R1.741 CCC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011218378 [0,1,0,0,0,0|1,0,2]=4 1381 B15R1.741 CC[C@H](C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100009816398 [0,1,0,0,0,0|1,0,2]=4 1382 B15R1.741 C[C@@H](CO)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000059175 [0,1,0,0,0,0|2,0,1]=4 1383 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccccc1 11a_100102880703_100000210462 [0,1,0,0,0,0|2,0,1]=4 1384 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccccc1 1626a_100102880703_100000210462 [0,1,0,0,0,0|2,0,1]=4 1385 B15R1.826 C#CCN(C)C(=O)C=Cc1ccccc1 11a_100000225692_100000210462 [0,1,0,0,0,0|1,0,2]=4 1386 B15R1.826 C#CCN(C)C(=O)C=Cc1ccccc1 1626a_100000225692_100000210462 [0,1,0,0,0,0|1,0,2]=4 1387 B15R1.826 C=CCC(C)C(=O)CCc1ccccc1 1458a_100011216819_100000765856 [0,1,0,0,0,0|1,0,2]=4 1388 B15R1.826 C=CCC(C)C(=O)NCc1ccccc1 11a_100015324214_100011216819 [0,1,0,0,0,0|2,0,1]=4 1389 B15R1.826 C=CCC(C)C(=O)NCc1ccccc1 1626a_100015324214_100011216819 [0,1,0,0,0,0|2,0,1]=4 1390 B15R1.826 C=CCC(C)C(=O)NCc1ccccc1 240690a_100015324214_100011216819 [0,1,0,0,0,0|2,0,1]=4 1391 B15R1.826 C=CCC(C)C(=O)NCc1ccccc1 527a_100015324214_100011216819 [0,1,0,0,0,0|2,0,1]=4 1392 B15R1.826 C=CCC(C)C(=O)NNc1ccccc1 22a_100015195140_100011216819 [0,1,0,0,0,0|3,0,0]=4 1393 B15R1.826 C=CCN(C)C(=O)C#Cc1ccccc1 240690a_100000225617_100000736102 [0,1,0,0,0,0|1,0,2]=4 1394 B15R1.826 C=CCN(C)C(=O)C=Cc1ccccc1 11a_100000225617_100000210462 [0,1,0,0,0,0|1,0,0]=2 1395 B15R1.826 C=CCN(C)C(=O)C=Cc1ccccc1 1626a_100000225617_100000210462 [0,1,0,0,0,0|1,0,0]=2 1396 B15R1.826 C=CCN(C)C(=O)C=Cc1ccccn1 11a_100000225617_100000740811 [0,1,0,0,0,0|2,0,0]=3 1397 B15R1.826 C=CCN(C)C(=O)C=Cc1ccccn1 240690a_100000225617_100000740811 [0,1,0,0,0,0|2,0,0]=3 1398 B15R1.826 C=CCN(C)C(=O)C=Cc1cccnc1 11a_100000225617_100000735890 [0,1,0,0,0,0|2,0,0]=3 1399 B15R1.826 C=CCN(C)C(=O)C=Cc1cccnc1 240690a_100000225617_100000735890 [0,1,0,0,0,0|2,0,0]=3 1400 B15R1.826 C=CCN(C)C(=O)C=Cc1ccncc1 240690a_100000225617_100000682801 [0,1,0,0,0,0|2,0,0]=3 1401 B15R1.826 C=CCN(C)C(=O)CCc1ccccc1 11a_100000225617_100000185753 [0,1,0,0,0,0|1,0,2]=4 1402 B15R1.826 C=CCN(C)C(=O)CCc1ccccc1 1626a_100000225617_100000185753 [0,1,0,0,0,0|1,0,2]=4 1403 B15R1.826 C=CCN(C)C(=O)CCc1ccccc1 240690a_100000225617_100000185753 [0,1,0,0,0,0|1,0,2]=4 1404 B15R1.826 C=CCN(C)C(=O)CCc1ccccc1 527a_100000225617_100000185753 [0,1,0,0,0,0|1,0,2]=4 1405 B15R1.826 C=CCN(C)C(=O)COc1ccccc1 11a_100000225617_100000186222 [0,1,0,0,0,0|2,0,1]=4 1406 B15R1.826 C=CCN(C)C(=O)COc1ccccc1 1626a_100000225617_100000186222 [0,1,0,0,0,0|2,0,1]=4 1407 B15R1.826 C=CCN(C)C(=O)COc1ccccc1 240690a_100000225617_100000186222 [0,1,0,0,0,0|2,0,1]=4 1408 B15R1.826 C=CCN(C)C(=O)COc1ccccc1 527a_100000225617_100000186222 [0,1,0,0,0,0|2,0,1]=4 1409 B15R1.826 C=CCN(C)C(=O)CSc1ccccc1 11a_100000225617_100000211596 [0,1,0,0,0,0|2,0,1]=4 1410 B15R1.826 C=CCN(C)C(=O)CSc1ccccc1 1626a_100000225617_100000211596 [0,1,0,0,0,0|2,0,1]=4 1411 B15R1.826 C=CCN(C)C(=O)CSc1ccccc1 240690a_100000225617_100000211596 [0,1,0,0,0,0|2,0,1]=4 1412 B15R1.826 C=CCN(C)C(=O)CSc1ccccc1 527a_100000225617_100000211596 [0,1,0,0,0,0|2,0,1]=4 1413 B15R1.826 C=CCN(C)C(=O)NCc1ccccc1 2708a_100015324214_100000225617 [0,1,0,0,0,0|2,0,1]=4 1414 B15R1.826 C=CCN(C)C(=O)NCc1ccccc1 273464a_100015324214_100000225617 [0,1,0,0,0,0|2,0,1]=4 1415 B15R1.826 CC(CC#N)C(=O)C=Cc1ccccc1 1458a_100000210462_100009813641 [0,1,0,0,0,0|2,0,1]=4 1416 B15R1.826 CC(CCO)C(=O)C=Cc1ccccc1 1458a_100000210462_100009893172 [0,1,0,0,0,0|2,0,1]=4 1417 B15R1.826 CCCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000766640 [0,1,0,0,0,0|1,0,2]=4 1418 B15R1.826 CCCN(C)C(=O)C=Cc1ccccc1 11a_100000747261_100000210462 [0,1,0,0,0,0|1,0,2]=4 1419 B15R1.826 CCCN(C)C(=O)C=Cc1ccccc1 1626a_100000747261_100000210462 [0,1,0,0,0,0|1,0,2]=4 1420 B15R1.826 CN(CC#N)C(=O)C=Cc1ccccc1 11a_100000748184_100000210462 [0,1,0,0,0,0|2,0,1]=4 1421 B15R1.826 CN(CC#N)C(=O)C=Cc1ccccc1 1626a_100000748184_100000210462 [0,1,0,0,0,0|2,0,1]=4 1422 B15R1.826 COCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000765312 [0,1,0,0,0,0|2,0,1]=4 1423 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000753159 [0,1,0,0,0,0|1,0,2]=4 1424 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000753159 [0,1,0,0,0,0|1,0,2]=4 1425 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000753159 [0,1,0,0,0,0|1,0,2]=4 1426 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000753159 [0,1,0,0,0,0|1,0,2]=4 1427 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Br 11a_100000212058_100000719032 [0,1,0,0,0,0|1,0,2]=4 1428 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Br 1626a_100000212058_100000719032 [0,1,0,0,0,0|1,0,2]=4 1429 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Br 240690a_100000212058_100000719032 [0,1,0,0,0,0|1,0,2]=4 1430 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1C 1626a_100000212058_100016266485 [0,1,0,0,0,0|1,0,2]=4 1431 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Cl 11a_100000212058_100000720304 [0,1,0,0,0,0|1,0,2]=4 1432 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Cl 1626a_100000212058_100000720304 [0,1,0,0,0,0|1,0,2]=4 1433 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Cl 240690a_100000212058_100000720304 [0,1,0,0,0,0|1,0,2]=4 1434 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1F 11a_100000212058_100016256065 [0,1,0,0,0,0|1,0,2]=4 1435 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1F 1626a_100000212058_100016256065 [0,1,0,0,0,0|1,0,2]=4 1436 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1F 240690a_100000212058_100016256065 [0,1,0,0,0,0|1,0,2]=4 1437 B15R1.1208 C/C=C/CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100102629194 [0,1,0,0,0,0|1,0,2]=4 1438 B15R1.1208 C/C=C/CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100102629194 [0,1,0,0,0,0|1,0,2]=4 1439 B15R1.1208 C/C=C/CC(=O)C=Cc1ccccc1F 1458a_100016256065_100102629194 [0,1,0,0,0,0|1,0,2]=4 1440 B15R1.1208 C/C=C/CC(=O)C=Cc1ccccc1O 1458a_100016263591_100102629194 [0,1,0,0,0,0|1,0,2]=4 1441 B15R1.1208 C=CCCC(=O)C#Cc1ccccc1F 1458a_100011892747_100000754431 [0,1,0,0,0,0|1,0,2]=4 1442 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000754431 [0,1,0,0,0,0|1,0,0]=2 1443 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000754431 [0,1,0,0,0,0|1,0,0]=2 1444 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000754431 [0,1,0,0,0,0|1,0,0]=2 1445 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000754431 [0,1,0,0,0,0|1,0,0]=2 1446 B15R1.1208 C=CCCC(=O)CCc1ccccc1Br 1458a_100000740810_100000754431 [0,1,0,0,0,0|1,0,2]=4 1447 B15R1.1208 C=CCCC(=O)CCc1ccccc1Br 1458a_100000749702_100012161201 [0,1,0,0,0,0|1,0,2]=4 1448 B15R1.1208 C=CCCC(=O)CCc1ccccc1C 1458a_100000748742_100000754431 [0,1,0,0,0,0|1,0,2]=4 1449 B15R1.1208 C=CCCC(=O)CCc1ccccc1C 1458a_100000749702_100011713688 [0,1,0,0,0,0|1,0,2]=4 1450 B15R1.1208 C=CCCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000754431 [0,1,0,0,0,0|1,0,2]=4 1451 B15R1.1208 C=CCCC(=O)CCc1ccccc1Cl 1458a_100000749702_100011713703 [0,1,0,0,0,0|1,0,2]=4 1452 B15R1.1208 C=CCCC(=O)CCc1ccccc1F 1458a_100000189703_100000754431 [0,1,0,0,0,0|1,0,2]=4 1453 B15R1.1208 C=CCCC(=O)CCc1ccccc1F 1458a_100000749702_100000720011 [0,1,0,0,0,0|1,0,2]=4 1454 B15R1.1208 C=CCCC(=O)CCc1ccccc1I 1458a_100000037306_100000754431 [0,1,0,0,0,0|1,0,2]=4 1455 B15R1.1208 C=CCCC(=O)CCc1ccccc1O 1458a_100000181328_100000754431 [0,1,0,0,0,0|1,0,2]=4 1456 B15R1.1208 C=CCCC(=O)CCc1ccccc1O 1458a_100000749702_100000722297 [0,1,0,0,0,0|1,0,2]=4 1457 B15R1.1208 C=CCCC(=O)COc1ccccc1Br 1458a_100000216496_100000754431 [0,1,0,0,0,0|2,0,1]=4 1458 B15R1.1208 C=CCCC(=O)COc1ccccc1C 1458a_100000182418_100000754431 [0,1,0,0,0,0|2,0,1]=4 1459 B15R1.1208 C=CCCC(=O)COc1ccccc1Cl 1458a_100000185159_100000754431 [0,1,0,0,0,0|2,0,1]=4 1460 B15R1.1208 C=CCCC(=O)COc1ccccc1F 1458a_100000182486_100000754431 [0,1,0,0,0,0|2,0,1]=4 1461 B15R1.1208 C=CCCC(=O)COc1ccccc1O 1458a_100000183020_100000754431 [0,1,0,0,0,0|2,0,1]=4 1462 B15R1.1208 C=CCCC(=O)CSc1ccccc1C 1458a_100000183026_100000754431 [0,1,0,0,0,0|2,0,1]=4 1463 B15R1.1208 C=CCCC(=O)CSc1ccccc1F 1458a_100000179528_100000754431 [0,1,0,0,0,0|2,0,1]=4 1464 B15R1.1208 C=CCCC(=O)CSc1ccccc1O 1458a_100000695322_100000754431 [0,1,0,0,0,0|2,0,1]=4 1465 B15R1.1208 C=CCCC(=O)NCc1ccccc1Br 11a_100000689332_100000749702 [0,1,0,0,0,0|2,0,1]=4 1466 B15R1.1208 C=CCCC(=O)NCc1ccccc1Br 1626a_100000689332_100000749702 [0,1,0,0,0,0|2,0,1]=4 1467 B15R1.1208 C=CCCC(=O)NCc1ccccc1Br 240690a_100000689332_100000749702 [0,1,0,0,0,0|2,0,1]=4 1468 B15R1.1208 C=CCCC(=O)NCc1ccccc1Br 527a_100000689332_100000749702 [0,1,0,0,0,0|2,0,1]=4 1469 B15R1.1208 C=CCCC(=O)NCc1ccccc1C 11a_100000174972_100000749702 [0,1,0,0,0,0|2,0,1]=4 1470 B15R1.1208 C=CCCC(=O)NCc1ccccc1C 1626a_100000174972_100000749702 [0,1,0,0,0,0|2,0,1]=4 1471 B15R1.1208 C=CCCC(=O)NCc1ccccc1C 240690a_100000174972_100000749702 [0,1,0,0,0,0|2,0,1]=4 1472 B15R1.1208 C=CCCC(=O)NCc1ccccc1C 527a_100000174972_100000749702 [0,1,0,0,0,0|2,0,1]=4 1473 B15R1.1208 C=CCCC(=O)NCc1ccccc1Cl 11a_100000174879_100000749702 [0,1,0,0,0,0|2,0,1]=4 1474 B15R1.1208 C=CCCC(=O)NCc1ccccc1Cl 1626a_100000174879_100000749702 [0,1,0,0,0,0|2,0,1]=4 1475 B15R1.1208 C=CCCC(=O)NCc1ccccc1Cl 240690a_100000174879_100000749702 [0,1,0,0,0,0|2,0,1]=4 1476 B15R1.1208 C=CCCC(=O)NCc1ccccc1Cl 527a_100000174879_100000749702 [0,1,0,0,0,0|2,0,1]=4 1477 B15R1.1208 C=CCCC(=O)NCc1ccccc1F 11a_100000174869_100000749702 [0,1,0,0,0,0|2,0,1]=4 1478 B15R1.1208 C=CCCC(=O)NCc1ccccc1F 1626a_100000174869_100000749702 [0,1,0,0,0,0|2,0,1]=4 1479 B15R1.1208 C=CCCC(=O)NCc1ccccc1F 240690a_100000174869_100000749702 [0,1,0,0,0,0|2,0,1]=4 1480 B15R1.1208 C=CCCC(=O)NCc1ccccc1F 527a_100000174869_100000749702 [0,1,0,0,0,0|2,0,1]=4 1481 B15R1.1208 C=CCCC(=O)NCc1ccccc1I 11a_100015347259_100000749702 [0,1,0,0,0,0|2,0,1]=4 1482 B15R1.1208 C=CCCC(=O)NCc1ccccc1I 1626a_100015347259_100000749702 [0,1,0,0,0,0|2,0,1]=4 1483 B15R1.1208 C=CCCC(=O)NCc1ccccc1I 240690a_100015347259_100000749702 [0,1,0,0,0,0|2,0,1]=4 1484 B15R1.1208 C=CCCC(=O)NCc1ccccc1I 527a_100015347259_100000749702 [0,1,0,0,0,0|2,0,1]=4 1485 B15R1.1208 C=CCCC(=O)NCc1ccccc1O 240690a_100000185550_100000749702 [0,1,0,0,0,0|2,0,1]=4 1486 B15R1.1208 C=CCCC(=O)NCc1ccccc1O 527a_100000185550_100000749702 [0,1,0,0,0,0|2,0,1]=4 1487 B15R1.1208 C=CCCC(=O)NNc1ccccc1Br 22a_100000241748_100000749702 [0,1,0,0,0,0|3,0,0]=4 1488 B15R1.1208 C=CCCC(=O)NNc1ccccc1C 22a_100000184220_100000749702 [0,1,0,0,0,0|3,0,0]=4 1489 B15R1.1208 C=CCCC(=O)NNc1ccccc1Cl 22a_100000683529_100000749702 [0,1,0,0,0,0|3,0,0]=4 1490 B15R1.1208 C=CCCC(=O)NNc1ccccc1F 22a_100000239246_100000749702 [0,1,0,0,0,0|3,0,0]=4 1491 B15R1.1208 C=CCCC(=O)NNc1ccccc1I 22a_100011218156_100000749702 [0,1,0,0,0,0|3,0,0]=4 1492 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Br 1626a_100020586998_100000719032 [0,1,0,0,0,0|1,0,0]=2 1493 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Br 240690a_100020586998_100000719032 [0,1,0,0,0,0|1,0,0]=2 1494 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1C 1626a_100020586998_100016266485 [0,1,0,0,0,0|1,0,0]=2 1495 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Cl 1626a_100020586998_100000720304 [0,1,0,0,0,0|1,0,0]=2 1496 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Cl 240690a_100020586998_100000720304 [0,1,0,0,0,0|1,0,0]=2 1497 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1F 1626a_100020586998_100016256065 [0,1,0,0,0,0|1,0,0]=2 1498 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1F 240690a_100020586998_100016256065 [0,1,0,0,0,0|1,0,0]=2 1499 B15R1.1208 C=CCNC(=O)CCc1ccccc1Br 1626a_100020586998_100000740810 [0,1,0,0,0,0|1,0,2]=4 1500 B15R1.1208 C=CCNC(=O)CCc1ccccc1Br 240690a_100020586998_100000740810 [0,1,0,0,0,0|1,0,2]=4 1501 B15R1.1208 C=CCNC(=O)CCc1ccccc1Br 527a_100020586998_100000740810 [0,1,0,0,0,0|1,0,2]=4 1502 B15R1.1208 C=CCNC(=O)CCc1ccccc1C 1626a_100020586998_100000748742 [0,1,0,0,0,0|1,0,2]=4 1503 B15R1.1208 C=CCNC(=O)CCc1ccccc1C 240690a_100020586998_100000748742 [0,1,0,0,0,0|1,0,2]=4 1504 B15R1.1208 C=CCNC(=O)CCc1ccccc1C 527a_100020586998_100000748742 [0,1,0,0,0,0|1,0,2]=4 1505 B15R1.1208 C=CCNC(=O)CCc1ccccc1Cl 1626a_100020586998_100000184300 [0,1,0,0,0,0|1,0,2]=4 1506 B15R1.1208 C=CCNC(=O)CCc1ccccc1Cl 240690a_100020586998_100000184300 [0,1,0,0,0,0|1,0,2]=4 1507 B15R1.1208 C=CCNC(=O)CCc1ccccc1Cl 527a_100020586998_100000184300 [0,1,0,0,0,0|1,0,2]=4 1508 B15R1.1208 C=CCNC(=O)CCc1ccccc1F 1626a_100020586998_100000189703 [0,1,0,0,0,0|1,0,2]=4 1509 B15R1.1208 C=CCNC(=O)CCc1ccccc1F 240690a_100020586998_100000189703 [0,1,0,0,0,0|1,0,2]=4 1510 B15R1.1208 C=CCNC(=O)CCc1ccccc1F 527a_100020586998_100000189703 [0,1,0,0,0,0|1,0,2]=4 1511 B15R1.1208 C=CCNC(=O)CCc1ccccc1I 1626a_100020586998_100000037306 [0,1,0,0,0,0|1,0,2]=4 1512 B15R1.1208 C=CCNC(=O)CCc1ccccc1I 240690a_100020586998_100000037306 [0,1,0,0,0,0|1,0,2]=4 1513 B15R1.1208 C=CCNC(=O)CCc1ccccc1I 527a_100020586998_100000037306 [0,1,0,0,0,0|1,0,2]=4 1514 B15R1.1208 C=CCNC(=O)CCc1ccccc1O 240690a_100020586998_100000181328 [0,1,0,0,0,0|1,0,2]=4 1515 B15R1.1208 C=CCNC(=O)CCc1ccccc1O 527a_100020586998_100000181328 [0,1,0,0,0,0|1,0,2]=4 1516 B15R1.1208 C=CCNC(=O)COc1ccccc1Br 1626a_100020586998_100000216496 [0,1,0,0,0,0|2,0,1]=4 1517 B15R1.1208 C=CCNC(=O)COc1ccccc1Br 240690a_100020586998_100000216496 [0,1,0,0,0,0|2,0,1]=4 1518 B15R1.1208 C=CCNC(=O)COc1ccccc1Br 527a_100020586998_100000216496 [0,1,0,0,0,0|2,0,1]=4 1519 B15R1.1208 C=CCNC(=O)COc1ccccc1Br 7a_100000181306_100000183597 [0,1,0,0,0,0|2,0,1]=4 1520 B15R1.1208 C=CCNC(=O)COc1ccccc1C 1626a_100020586998_100000182418 [0,1,0,0,0,0|2,0,1]=4 1521 B15R1.1208 C=CCNC(=O)COc1ccccc1C 240690a_100020586998_100000182418 [0,1,0,0,0,0|2,0,1]=4 1522 B15R1.1208 C=CCNC(=O)COc1ccccc1C 527a_100020586998_100000182418 [0,1,0,0,0,0|2,0,1]=4 1523 B15R1.1208 C=CCNC(=O)COc1ccccc1C 7a_100000210338_100000183597 [0,1,0,0,0,0|2,0,1]=4 1524 B15R1.1208 C=CCNC(=O)COc1ccccc1Cl 1626a_100020586998_100000185159 [0,1,0,0,0,0|2,0,1]=4 1525 B15R1.1208 C=CCNC(=O)COc1ccccc1Cl 240690a_100020586998_100000185159 [0,1,0,0,0,0|2,0,1]=4 1526 B15R1.1208 C=CCNC(=O)COc1ccccc1Cl 527a_100020586998_100000185159 [0,1,0,0,0,0|2,0,1]=4 1527 B15R1.1208 C=CCNC(=O)COc1ccccc1Cl 7a_100000210172_100000183597 [0,1,0,0,0,0|2,0,1]=4 1528 B15R1.1208 C=CCNC(=O)COc1ccccc1F 1626a_100020586998_100000182486 [0,1,0,0,0,0|2,0,1]=4 1529 B15R1.1208 C=CCNC(=O)COc1ccccc1F 240690a_100020586998_100000182486 [0,1,0,0,0,0|2,0,1]=4 1530 B15R1.1208 C=CCNC(=O)COc1ccccc1F 527a_100020586998_100000182486 [0,1,0,0,0,0|2,0,1]=4 1531 B15R1.1208 C=CCNC(=O)COc1ccccc1F 7a_100000210171_100000183597 [0,1,0,0,0,0|2,0,1]=4 1532 B15R1.1208 C=CCNC(=O)COc1ccccc1I 7a_100000739446_100000183597 [0,1,0,0,0,0|2,0,1]=4 1533 B15R1.1208 C=CCNC(=O)COc1ccccc1N 7a_100000185747_100000183597 [0,1,0,0,0,0|2,0,1]=4 1534 B15R1.1208 C=CCNC(=O)COc1ccccc1O 240690a_100020586998_100000183020 [0,1,0,0,0,0|2,0,1]=4 1535 B15R1.1208 C=CCNC(=O)COc1ccccc1O 527a_100020586998_100000183020 [0,1,0,0,0,0|2,0,1]=4 1536 B15R1.1208 C=CCNC(=O)CSc1ccccc1Br 62a_100000183597_100000695589 [0,1,0,0,0,0|2,0,1]=4 1537 B15R1.1208 C=CCNC(=O)CSc1ccccc1Br 62a_100000695589_100000183597 [0,1,0,0,0,0|2,0,1]=4 1538 B15R1.1208 C=CCNC(=O)CSc1ccccc1C 1626a_100020586998_100000183026 [0,1,0,0,0,0|2,0,1]=4 1539 B15R1.1208 C=CCNC(=O)CSc1ccccc1C 240690a_100020586998_100000183026 [0,1,0,0,0,0|2,0,1]=4 1540 B15R1.1208 C=CCNC(=O)CSc1ccccc1C 527a_100020586998_100000183026 [0,1,0,0,0,0|2,0,1]=4 1541 B15R1.1208 C=CCNC(=O)CSc1ccccc1C 62a_100000183597_100000210755 [0,1,0,0,0,0|2,0,1]=4 1542 B15R1.1208 C=CCNC(=O)CSc1ccccc1C 62a_100000210755_100000183597 [0,1,0,0,0,0|2,0,1]=4 1543 B15R1.1208 C=CCNC(=O)CSc1ccccc1Cl 62a_100000183597_100000764095 [0,1,0,0,0,0|2,0,1]=4 1544 B15R1.1208 C=CCNC(=O)CSc1ccccc1Cl 62a_100000764095_100000183597 [0,1,0,0,0,0|2,0,1]=4 1545 B15R1.1208 C=CCNC(=O)CSc1ccccc1F 1626a_100020586998_100000179528 [0,1,0,0,0,0|2,0,1]=4 1546 B15R1.1208 C=CCNC(=O)CSc1ccccc1F 240690a_100020586998_100000179528 [0,1,0,0,0,0|2,0,1]=4 1547 B15R1.1208 C=CCNC(=O)CSc1ccccc1F 62a_100000183597_100011215700 [0,1,0,0,0,0|2,0,1]=4 1548 B15R1.1208 C=CCNC(=O)CSc1ccccc1F 62a_100011215700_100000183597 [0,1,0,0,0,0|2,0,1]=4 1549 B15R1.1208 C=CCNC(=O)CSc1ccccc1N 62a_100000183597_100000210017 [0,1,0,0,0,0|2,0,1]=4 1550 B15R1.1208 C=CCNC(=O)CSc1ccccc1N 62a_100000210017_100000183597 [0,1,0,0,0,0|2,0,1]=4 1551 B15R1.1208 C=CCNC(=O)CSc1ccccc1O 240690a_100020586998_100000695322 [0,1,0,0,0,0|2,0,1]=4 1552 B15R1.1208 C=CCNC(=O)CSc1ccccc1O 527a_100020586998_100000695322 [0,1,0,0,0,0|2,0,1]=4 1553 B15R1.1208 C=CCNC(=O)CSc1ccccc1O 62a_100000183597_100000739446 [0,1,0,0,0,0|2,0,1]=4 1554 B15R1.1208 C=CCNC(=O)CSc1ccccc1O 62a_100000739446_100000183597 [0,1,0,0,0,0|2,0,1]=4 1555 B15R1.1208 C=CCNC(=O)NCc1ccccc1Br 2708a_100000689332_100020586998 [0,1,0,0,0,0|2,0,1]=4 1556 B15R1.1208 C=CCNC(=O)NCc1ccccc1Br 273464a_100000689332_100020586998 [0,1,0,0,0,0|2,0,1]=4 1557 B15R1.1208 C=CCNC(=O)NCc1ccccc1Br 273464a_100020586998_100000689332 [0,1,0,0,0,0|2,0,1]=4 1558 B15R1.1208 C=CCNC(=O)NCc1ccccc1Br 512a_100000689332_100020586998 [0,1,0,0,0,0|2,0,1]=4 1559 B15R1.1208 C=CCNC(=O)NCc1ccccc1Br 512a_100020586998_100000689332 [0,1,0,0,0,0|2,0,1]=4 1560 B15R1.1208 C=CCNC(=O)NCc1ccccc1C 2708a_100000174972_100020586998 [0,1,0,0,0,0|2,0,1]=4 1561 B15R1.1208 C=CCNC(=O)NCc1ccccc1C 273464a_100000174972_100020586998 [0,1,0,0,0,0|2,0,1]=4 1562 B15R1.1208 C=CCNC(=O)NCc1ccccc1C 273464a_100020586998_100000174972 [0,1,0,0,0,0|2,0,1]=4 1563 B15R1.1208 C=CCNC(=O)NCc1ccccc1C 512a_100000174972_100020586998 [0,1,0,0,0,0|2,0,1]=4 1564 B15R1.1208 C=CCNC(=O)NCc1ccccc1C 512a_100020586998_100000174972 [0,1,0,0,0,0|2,0,1]=4 1565 B15R1.1208 C=CCNC(=O)NCc1ccccc1Cl 2708a_100000174879_100020586998 [0,1,0,0,0,0|2,0,1]=4 1566 B15R1.1208 C=CCNC(=O)NCc1ccccc1Cl 273464a_100000174879_100020586998 [0,1,0,0,0,0|2,0,1]=4 1567 B15R1.1208 C=CCNC(=O)NCc1ccccc1Cl 273464a_100020586998_100000174879 [0,1,0,0,0,0|2,0,1]=4 1568 B15R1.1208 C=CCNC(=O)NCc1ccccc1Cl 512a_100020586998_100000174879 [0,1,0,0,0,0|2,0,1]=4 1569 B15R1.1208 C=CCNC(=O)NCc1ccccc1F 2708a_100000174869_100020586998 [0,1,0,0,0,0|2,0,1]=4 1570 B15R1.1208 C=CCNC(=O)NCc1ccccc1F 273464a_100000174869_100020586998 [0,1,0,0,0,0|2,0,1]=4 1571 B15R1.1208 C=CCNC(=O)NCc1ccccc1F 273464a_100020586998_100000174869 [0,1,0,0,0,0|2,0,1]=4 1572 B15R1.1208 C=CCNC(=O)NCc1ccccc1F 512a_100000174869_100020586998 [0,1,0,0,0,0|2,0,1]=4 1573 B15R1.1208 C=CCNC(=O)NCc1ccccc1F 512a_100020586998_100000174869 [0,1,0,0,0,0|2,0,1]=4 1574 B15R1.1208 C=CCNC(=O)NCc1ccccc1I 2708a_100015347259_100020586998 [0,1,0,0,0,0|2,0,1]=4 1575 B15R1.1208 C=CCNC(=O)NCc1ccccc1I 273464a_100015347259_100020586998 [0,1,0,0,0,0|2,0,1]=4 1576 B15R1.1208 C=CCNC(=O)NCc1ccccc1I 273464a_100020586998_100015347259 [0,1,0,0,0,0|2,0,1]=4 1577 B15R1.1208 C=CCNC(=O)NCc1ccccc1I 512a_100015347259_100020586998 [0,1,0,0,0,0|2,0,1]=4 1578 B15R1.1208 C=CCNC(=O)NCc1ccccc1I 512a_100020586998_100015347259 [0,1,0,0,0,0|2,0,1]=4 1579 B15R1.1208 C=CCNC(=O)NCc1ccccc1O 2708a_100000185550_100020586998 [0,1,0,0,0,0|2,0,1]=4 1580 B15R1.1208 C=CCNC(=O)NCc1ccccc1O 273464a_100000185550_100020586998 [0,1,0,0,0,0|2,0,1]=4 1581 B15R1.1208 C=CCNC(=O)NCc1ccccc1O 273464a_100020586998_100000185550 [0,1,0,0,0,0|2,0,1]=4 1582 B15R1.1208 C=CCNC(=O)NCc1ccccc1O 512a_100000185550_100020586998 [0,1,0,0,0,0|2,0,1]=4 1583 B15R1.1208 C=CCNC(=O)NNc1ccccc1Br 273464a_100020586998_100000241748 [0,1,0,0,0,0|3,0,0]=4 1584 B15R1.1208 C=CCNC(=O)NNc1ccccc1Br 512a_100020586998_100000241748 [0,1,0,0,0,0|3,0,0]=4 1585 B15R1.1208 C=CCNC(=O)NNc1ccccc1C 273464a_100020586998_100000184220 [0,1,0,0,0,0|3,0,0]=4 1586 B15R1.1208 C=CCNC(=O)NNc1ccccc1C 512a_100020586998_100000184220 [0,1,0,0,0,0|3,0,0]=4 1587 B15R1.1208 C=CCNC(=O)NNc1ccccc1Cl 273464a_100020586998_100000683529 [0,1,0,0,0,0|3,0,0]=4 1588 B15R1.1208 C=CCNC(=O)NNc1ccccc1Cl 512a_100020586998_100000683529 [0,1,0,0,0,0|3,0,0]=4 1589 B15R1.1208 C=CCNC(=O)NNc1ccccc1F 273464a_100020586998_100000239246 [0,1,0,0,0,0|3,0,0]=4 1590 B15R1.1208 C=CCNC(=O)NNc1ccccc1F 512a_100020586998_100000239246 [0,1,0,0,0,0|3,0,0]=4 1591 B15R1.1208 C=CCNC(=O)NNc1ccccc1I 273464a_100020586998_100011218156 [0,1,0,0,0,0|3,0,0]=4 1592 B15R1.1208 C=CCNC(=O)NNc1ccccc1I 512a_100020586998_100011218156 [0,1,0,0,0,0|3,0,0]=4 1593 B15R1.1208 C=CCOC(=O)CNc1ccccc1Br 34a_100000210017_100000033060 [0,1,0,0,0,0|1,0,1]=3 1594 B15R1.1208 C=CCOC(=O)CNc1ccccc1C 34a_100015192222_100000033060 [0,1,0,0,0,0|1,0,1]=3 1595 B15R1.1208 C=CCOC(=O)CNc1ccccc1Cl 34a_100000185783_100000033060 [0,1,0,0,0,0|1,0,1]=3 1596 B15R1.1208 C=CCOC(=O)CNc1ccccc1F 34a_100000210422_100000033060 [0,1,0,0,0,0|1,0,1]=3 1597 B15R1.1208 C=CCOC(=O)CNc1ccccc1I 34a_100000210053_100000033060 [0,1,0,0,0,0|1,0,1]=3 1598 B15R1.1208 C=CCOC(=O)CNc1ccccc1O 34a_100000185747_100000033060 [0,1,0,0,0,0|1,0,1]=3 1599 B15R1.1208 C=CCOC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000033060 [0,1,0,0,0,0|2,0,1]=4 1600 B15R1.1208 C=CCOC(=O)COc1ccccc1Br 34a_100000181306_100000033060 [0,1,0,0,0,0|1,0,1]=3 1601 B15R1.1208 C=CCOC(=O)COc1ccccc1Br 7a_100000181306_100000033060 [0,1,0,0,0,0|1,0,1]=3 1602 B15R1.1208 C=CCOC(=O)COc1ccccc1C 34a_100000210338_100000033060 [0,1,0,0,0,0|1,0,1]=3 1603 B15R1.1208 C=CCOC(=O)COc1ccccc1C 7a_100000210338_100000033060 [0,1,0,0,0,0|1,0,1]=3 1604 B15R1.1208 C=CCOC(=O)COc1ccccc1Cl 34a_100000210172_100000033060 [0,1,0,0,0,0|1,0,1]=3 1605 B15R1.1208 C=CCOC(=O)COc1ccccc1Cl 7a_100000210172_100000033060 [0,1,0,0,0,0|1,0,1]=3 1606 B15R1.1208 C=CCOC(=O)COc1ccccc1F 34a_100000210171_100000033060 [0,1,0,0,0,0|1,0,1]=3 1607 B15R1.1208 C=CCOC(=O)COc1ccccc1F 7a_100000210171_100000033060 [0,1,0,0,0,0|1,0,1]=3 1608 B15R1.1208 C=CCOC(=O)COc1ccccc1I 34a_100000739446_100000033060 [0,1,0,0,0,0|1,0,1]=3 1609 B15R1.1208 C=CCOC(=O)COc1ccccc1I 7a_100000739446_100000033060 [0,1,0,0,0,0|1,0,1]=3 1610 B15R1.1208 C=CCOC(=O)COc1ccccc1N 34a_100000185747_100000033060 [0,1,0,0,0,0|1,0,1]=3 1611 B15R1.1208 C=CCOC(=O)COc1ccccc1N 7a_100000185747_100000033060 [0,1,0,0,0,0|1,0,1]=3 1612 B15R1.1208 C=CCOC(=O)COc1cccnc1Br 34a_100000744436_100000033060 [0,1,0,0,0,0|2,0,1]=4 1613 B15R1.1208 C=CCOC(=O)COc1cccnc1Br 7a_100000744436_100000033060 [0,1,0,0,0,0|2,0,1]=4 1614 B15R1.1208 C=CCOC(=O)COc1cccnc1C 34a_100000745507_100000033060 [0,1,0,0,0,0|2,0,1]=4 1615 B15R1.1208 C=CCOC(=O)COc1cccnc1C 7a_100000745507_100000033060 [0,1,0,0,0,0|2,0,1]=4 1616 B15R1.1208 C=CCOC(=O)COc1cccnc1Cl 34a_100000757616_100000033060 [0,1,0,0,0,0|2,0,1]=4 1617 B15R1.1208 C=CCOC(=O)COc1cccnc1Cl 7a_100000757616_100000033060 [0,1,0,0,0,0|2,0,1]=4 1618 B15R1.1208 C=CCOC(=O)COc1cccnc1F 34a_100000061740_100000033060 [0,1,0,0,0,0|2,0,1]=4 1619 B15R1.1208 C=CCOC(=O)COc1cccnc1F 7a_100000061740_100000033060 [0,1,0,0,0,0|2,0,1]=4 1620 B15R1.1208 C=CCOC(=O)COc1cccnc1I 34a_100000034122_100000033060 [0,1,0,0,0,0|2,0,1]=4 1621 B15R1.1208 C=CCOC(=O)COc1cccnc1I 7a_100000034122_100000033060 [0,1,0,0,0,0|2,0,1]=4 1622 B15R1.1208 C=CCOC(=O)COc1cccnc1N 34a_100000211975_100000033060 [0,1,0,0,0,0|2,0,1]=4 1623 B15R1.1208 C=CCOC(=O)COc1cccnc1N 7a_100000211975_100000033060 [0,1,0,0,0,0|2,0,1]=4 1624 B15R1.1208 C=CCOC(=O)COc1cccoc1=O 34a_100000077404_100000033060 [0,1,0,0,0,0|2,0,1]=4 1625 B15R1.1208 C=CCOC(=O)COc1cccoc1=O 7a_100000077404_100000033060 [0,1,0,0,0,0|2,0,1]=4 1626 B15R1.1208 C=CCOC(=O)COc1ccncc1Br 34a_100011996408_100000033060 [0,1,0,0,0,0|2,0,1]=4 1627 B15R1.1208 C=CCOC(=O)COc1ccncc1C 34a_100000694293_100000033060 [0,1,0,0,0,0|2,0,1]=4 1628 B15R1.1208 C=CCOC(=O)COc1ccncc1Cl 34a_100011997054_100000033060 [0,1,0,0,0,0|2,0,1]=4 1629 B15R1.1208 C=CCOC(=O)COc1ccncc1F 34a_200000081243_100000033060 [0,1,0,0,0,0|2,0,1]=4 1630 B15R1.1208 C=CCOC(=O)COc1cnccc1C 34a_100011997053_100000033060 [0,1,0,0,0,0|2,0,1]=4 1631 B15R1.1208 C=CCOC(=O)COc1cnccc1C 7a_100011997053_100000033060 [0,1,0,0,0,0|2,0,1]=4 1632 B15R1.1208 C=CCOC(=O)COc1cnccc1Cl 34a_100011996695_100000033060 [0,1,0,0,0,0|2,0,1]=4 1633 B15R1.1208 C=CCOC(=O)COc1cnccc1I 34a_100000050107_100000033060 [0,1,0,0,0,0|2,0,1]=4 1634 B15R1.1208 C=CCOC(=O)COc1cnccc1N 34a_100000753702_100000033060 [0,1,0,0,0,0|2,0,1]=4 1635 B15R1.1208 C=CCOC(=O)COc1coccc1=O 34a_100000060831_100000033060 [0,1,0,0,0,0|2,0,1]=4 1636 B15R1.1208 C=CCOC(=O)COc1ncccc1Cl 34a_100011290957_100000033060 [0,1,0,0,0,0|2,0,1]=4 1637 B15R1.1208 C=CCOC(=O)COc1ncccc1F 34a_100011219419_100000033060 [0,1,0,0,0,0|2,0,1]=4 1638 B15R1.1208 C=CCOC(=O)COc1ncccc1N 34a_100000746358_100000033060 [0,1,0,0,0,0|2,0,1]=4 1639 B15R1.1208 C=CCOC(=O)CSc1c[nH]ccc1=O 62a_100000033060_100009998708 [0,1,0,0,0,0|2,0,1]=4 1640 B15R1.1208 C=CCOC(=O)CSc1c[nH]ccc1=O 62a_100009998708_100000033060 [0,1,0,0,0,0|2,0,1]=4 1641 B15R1.1208 C=CCOC(=O)CSc1c[nH]ccc1=S 62a_100000033060_200012280681 [0,1,0,0,0,0|2,0,1]=4 1642 B15R1.1208 C=CCOC(=O)CSc1c[nH]ccc1=S 62a_200012280681_100000033060 [0,1,0,0,0,0|2,0,1]=4 1643 B15R1.1208 C=CCOC(=O)CSc1cccc[n+]1C 62a_100000033060_100000212160 [0,1,0,0,0,0|2,0,1]=4 1644 B15R1.1208 C=CCOC(=O)CSc1cccc[n+]1[O-] 62a_100000033060_200000042595 [0,1,0,0,0,0|2,0,1]=4 1645 B15R1.1208 C=CCOC(=O)CSc1ccccc1Br 62a_100000033060_100000695589 [0,1,0,0,0,0|1,0,1]=3 1646 B15R1.1208 C=CCOC(=O)CSc1ccccc1Br 62a_100000695589_100000033060 [0,1,0,0,0,0|1,0,1]=3 1647 B15R1.1208 C=CCOC(=O)CSc1ccccc1C 62a_100000033060_100000210755 [0,1,0,0,0,0|1,0,1]=3 1648 B15R1.1208 C=CCOC(=O)CSc1ccccc1C 62a_100000210755_100000033060 [0,1,0,0,0,0|1,0,1]=3 1649 B15R1.1208 C=CCOC(=O)CSc1ccccc1Cl 62a_100000033060_100000764095 [0,1,0,0,0,0|1,0,1]=3 1650 B15R1.1208 C=CCOC(=O)CSc1ccccc1Cl 62a_100000764095_100000033060 [0,1,0,0,0,0|1,0,1]=3 1651 B15R1.1208 C=CCOC(=O)CSc1ccccc1F 62a_100000033060_100011215700 [0,1,0,0,0,0|1,0,1]=3 1652 B15R1.1208 C=CCOC(=O)CSc1ccccc1F 62a_100011215700_100000033060 [0,1,0,0,0,0|1,0,1]=3 1653 B15R1.1208 C=CCOC(=O)CSc1ccccc1N 62a_100000033060_100000210017 [0,1,0,0,0,0|1,0,1]=3 1654 B15R1.1208 C=CCOC(=O)CSc1ccccc1N 62a_100000210017_100000033060 [0,1,0,0,0,0|1,0,1]=3 1655 B15R1.1208 C=CCOC(=O)CSc1ccccc1O 62a_100000033060_100000739446 [0,1,0,0,0,0|1,0,1]=3 1656 B15R1.1208 C=CCOC(=O)CSc1ccccc1O 62a_100000739446_100000033060 [0,1,0,0,0,0|1,0,1]=3 1657 B15R1.1208 C=CCOC(=O)CSc1cccnc1Br 62a_100000033060_100010202626 [0,1,0,0,0,0|2,0,1]=4 1658 B15R1.1208 C=CCOC(=O)CSc1cccnc1Br 62a_100010202626_100000033060 [0,1,0,0,0,0|2,0,1]=4 1659 B15R1.1208 C=CCOC(=O)CSc1cccnc1C 62a_100000033060_100000751574 [0,1,0,0,0,0|2,0,1]=4 1660 B15R1.1208 C=CCOC(=O)CSc1cccnc1C 62a_100000751574_100000033060 [0,1,0,0,0,0|2,0,1]=4 1661 B15R1.1208 C=CCOC(=O)CSc1cccnc1Cl 62a_100000033060_100000036424 [0,1,0,0,0,0|2,0,1]=4 1662 B15R1.1208 C=CCOC(=O)CSc1cccnc1Cl 62a_100000036424_100000033060 [0,1,0,0,0,0|2,0,1]=4 1663 B15R1.1208 C=CCOC(=O)CSc1cccnc1F 62a_100000033060_100009816115 [0,1,0,0,0,0|2,0,1]=4 1664 B15R1.1208 C=CCOC(=O)CSc1cccnc1F 62a_100009816115_100000033060 [0,1,0,0,0,0|2,0,1]=4 1665 B15R1.1208 C=CCOC(=O)CSc1cccnc1N 62a_100000033060_100000045569 [0,1,0,0,0,0|2,0,1]=4 1666 B15R1.1208 C=CCOC(=O)CSc1cccnc1N 62a_100000045569_100000033060 [0,1,0,0,0,0|2,0,1]=4 1667 B15R1.1208 C=CCOC(=O)CSc1cccnc1O 62a_100000033060_100000760158 [0,1,0,0,0,0|2,0,1]=4 1668 B15R1.1208 C=CCOC(=O)CSc1cccnc1O 62a_100000760158_100000033060 [0,1,0,0,0,0|2,0,1]=4 1669 B15R1.1208 C=CCOC(=O)CSc1ccncc1Br 62a_100000033060_100000726257 [0,1,0,0,0,0|2,0,1]=4 1670 B15R1.1208 C=CCOC(=O)CSc1ccncc1Br 62a_100000726257_100000033060 [0,1,0,0,0,0|2,0,1]=4 1671 B15R1.1208 C=CCOC(=O)CSc1ccncc1C 62a_100000033060_100000765111 [0,1,0,0,0,0|2,0,1]=4 1672 B15R1.1208 C=CCOC(=O)CSc1ccncc1C 62a_100000765111_100000033060 [0,1,0,0,0,0|2,0,1]=4 1673 B15R1.1208 C=CCOC(=O)CSc1ccncc1Cl 62a_100000033060_100000708259 [0,1,0,0,0,0|2,0,1]=4 1674 B15R1.1208 C=CCOC(=O)CSc1ccncc1Cl 62a_100000708259_100000033060 [0,1,0,0,0,0|2,0,1]=4 1675 B15R1.1208 C=CCOC(=O)CSc1ccncc1F 62a_100000033060_100000047030 [0,1,0,0,0,0|2,0,1]=4 1676 B15R1.1208 C=CCOC(=O)CSc1ccncc1F 62a_100000047030_100000033060 [0,1,0,0,0,0|2,0,1]=4 1677 B15R1.1208 C=CCOC(=O)CSc1ccncc1N 62a_100000033060_100000756074 [0,1,0,0,0,0|2,0,1]=4 1678 B15R1.1208 C=CCOC(=O)CSc1ccncc1N 62a_100000756074_100000033060 [0,1,0,0,0,0|2,0,1]=4 1679 B15R1.1208 C=CCOC(=O)CSc1ccncc1O 62a_100000033060_100009817591 [0,1,0,0,0,0|2,0,1]=4 1680 B15R1.1208 C=CCOC(=O)CSc1ccncc1O 62a_100009817591_100000033060 [0,1,0,0,0,0|2,0,1]=4 1681 B15R1.1208 C=CCOC(=O)CSc1cnccc1Br 62a_100000033060_100010138639 [0,1,0,0,0,0|2,0,1]=4 1682 B15R1.1208 C=CCOC(=O)CSc1cnccc1Br 62a_100010138639_100000033060 [0,1,0,0,0,0|2,0,1]=4 1683 B15R1.1208 C=CCOC(=O)CSc1cnccc1C 62a_100000033060_100000761580 [0,1,0,0,0,0|2,0,1]=4 1684 B15R1.1208 C=CCOC(=O)CSc1cnccc1C 62a_100000761580_100000033060 [0,1,0,0,0,0|2,0,1]=4 1685 B15R1.1208 C=CCOC(=O)CSc1cnccc1Cl 62a_100000033060_100009995489 [0,1,0,0,0,0|2,0,1]=4 1686 B15R1.1208 C=CCOC(=O)CSc1cnccc1Cl 62a_100009995489_100000033060 [0,1,0,0,0,0|2,0,1]=4 1687 B15R1.1208 C=CCOC(=O)CSc1cnccc1F 62a_100000033060_100009820683 [0,1,0,0,0,0|2,0,1]=4 1688 B15R1.1208 C=CCOC(=O)CSc1cnccc1F 62a_100009820683_100000033060 [0,1,0,0,0,0|2,0,1]=4 1689 B15R1.1208 C=CCOC(=O)CSc1cnccc1N 62a_100000033060_100000047001 [0,1,0,0,0,0|2,0,1]=4 1690 B15R1.1208 C=CCOC(=O)CSc1cnccc1N 62a_100000047001_100000033060 [0,1,0,0,0,0|2,0,1]=4 1691 B15R1.1208 C=CCOC(=O)CSc1ncccc1Br 62a_100000033060_100000696092 [0,1,0,0,0,0|2,0,1]=4 1692 B15R1.1208 C=CCOC(=O)CSc1ncccc1Br 62a_100000696092_100000033060 [0,1,0,0,0,0|2,0,1]=4 1693 B15R1.1208 C=CCOC(=O)CSc1ncccc1C 62a_100000033060_100000751373 [0,1,0,0,0,0|2,0,1]=4 1694 B15R1.1208 C=CCOC(=O)CSc1ncccc1C 62a_100000751373_100000033060 [0,1,0,0,0,0|2,0,1]=4 1695 B15R1.1208 C=CCOC(=O)CSc1ncccc1Cl 62a_100000033060_100011356963 [0,1,0,0,0,0|2,0,1]=4 1696 B15R1.1208 C=CCOC(=O)CSc1ncccc1Cl 62a_100011356963_100000033060 [0,1,0,0,0,0|2,0,1]=4 1697 B15R1.1208 C=CCOC(=O)CSc1ncccc1F 62a_100000033060_100000685392 [0,1,0,0,0,0|2,0,1]=4 1698 B15R1.1208 C=CCOC(=O)CSc1ncccc1F 62a_100000685392_100000033060 [0,1,0,0,0,0|2,0,1]=4 1699 B15R1.1208 C=CCOC(=O)CSc1ncccc1N 62a_100000033060_100000688686 [0,1,0,0,0,0|2,0,1]=4 1700 B15R1.1208 C=CCOC(=O)CSc1ncccc1N 62a_100000688686_100000033060 [0,1,0,0,0,0|2,0,1]=4 1701 B15R1.1208 C=CCOC(=O)CSc1ncccc1O 62a_100000033060_100000034122 [0,1,0,0,0,0|2,0,1]=4 1702 B15R1.1208 C=CCOC(=O)CSc1ncccc1O 62a_100000034122_100000033060 [0,1,0,0,0,0|2,0,1]=4 1703 B15R1.1208 CC=CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000070051 [0,1,0,0,0,0|1,0,2]=4 1704 B15R1.1208 CC=CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000070051 [0,1,0,0,0,0|1,0,2]=4 1705 B15R1.1208 CC=CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000070051 [0,1,0,0,0,0|1,0,2]=4 1706 B15R1.1208 CC=CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000070051 [0,1,0,0,0,0|1,0,2]=4 1707 B15R1.1208 CCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210211 [0,1,0,0,0,0|1,0,2]=4 1708 B15R1.1208 CCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210211 [0,1,0,0,0,0|1,0,2]=4 1709 B15R1.1208 CCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210211 [0,1,0,0,0,0|1,0,2]=4 1710 B15R1.1208 CCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210211 [0,1,0,0,0,0|1,0,2]=4 1711 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br 11a_100020643023_100000719032 [0,1,0,0,0,0|1,0,2]=4 1712 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br 1626a_100020643023_100000719032 [0,1,0,0,0,0|1,0,2]=4 1713 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br 240690a_100020643023_100000719032 [0,1,0,0,0,0|1,0,2]=4 1714 B15R1.1208 CCCNC(=O)C=Cc1ccccc1C 1626a_100020643023_100016266485 [0,1,0,0,0,0|1,0,2]=4 1715 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Cl 11a_100020643023_100000720304 [0,1,0,0,0,0|1,0,2]=4 1716 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Cl 1626a_100020643023_100000720304 [0,1,0,0,0,0|1,0,2]=4 1717 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Cl 240690a_100020643023_100000720304 [0,1,0,0,0,0|1,0,2]=4 1718 B15R1.1208 CCCNC(=O)C=Cc1ccccc1F 11a_100020643023_100016256065 [0,1,0,0,0,0|1,0,2]=4 1719 B15R1.1208 CCCNC(=O)C=Cc1ccccc1F 1626a_100020643023_100016256065 [0,1,0,0,0,0|1,0,2]=4 1720 B15R1.1208 CCCNC(=O)C=Cc1ccccc1F 240690a_100020643023_100016256065 [0,1,0,0,0,0|1,0,2]=4 1721 B15R1.1208 COCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000233755 [0,1,0,0,0,0|2,0,1]=4 1722 B15R1.1208 COCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000233755 [0,1,0,0,0,0|2,0,1]=4 1723 B15R1.1208 COCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000233755 [0,1,0,0,0,0|2,0,1]=4 1724 B15R1.1208 COCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000233755 [0,1,0,0,0,0|2,0,1]=4 1725 B15R1.1208 CSCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000751147 [0,1,0,0,0,0|2,0,1]=4 1726 B15R1.1208 CSCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000751147 [0,1,0,0,0,0|2,0,1]=4 1727 B15R1.1208 CSCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000751147 [0,1,0,0,0,0|2,0,1]=4 1728 B15R1.1208 CSCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000751147 [0,1,0,0,0,0|2,0,1]=4 1729 B15R1.1208 Cc1ccccc1C=CC(=O)NCC#N 1626a_100000734998_100016266485 [0,1,0,0,0,0|2,0,1]=4 1730 B15R1.1208 Cc1ccccc1C=CC(=O)NCCF 1626a_100000724931_100016266485 [0,1,0,0,0,0|2,0,1]=4 1731 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011215226 [0,1,0,0,0,0|2,0,1]=4 1732 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011215226 [0,1,0,0,0,0|2,0,1]=4 1733 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011215226 [0,1,0,0,0,0|2,0,1]=4 1734 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011215226 [0,1,0,0,0,0|2,0,1]=4 1735 B15R1.1208 N#CCNC(=O)C=Cc1ccccc1Br 1626a_100000734998_100000719032 [0,1,0,0,0,0|2,0,1]=4 1736 B15R1.1208 N#CCNC(=O)C=Cc1ccccc1Cl 1626a_100000734998_100000720304 [0,1,0,0,0,0|2,0,1]=4 1737 B15R1.1208 N#CCNC(=O)C=Cc1ccccc1F 1626a_100000734998_100016256065 [0,1,0,0,0,0|2,0,1]=4 1738 B15R1.1208 O=C(C=Cc1ccccc1Br)CCCF 1458a_100000719032_100011934791 [0,1,0,0,0,0|2,0,1]=4 1739 B15R1.1208 O=C(C=Cc1ccccc1Br)CCCO 1458a_100000719032_100011215043 [0,1,0,0,0,0|2,0,1]=4 1740 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF 11a_100000724931_100000719032 [0,1,0,0,0,0|2,0,1]=4 1741 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF 1626a_100000724931_100000719032 [0,1,0,0,0,0|2,0,1]=4 1742 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF 240690a_100000724931_100000719032 [0,1,0,0,0,0|2,0,1]=4 1743 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCO 240690a_100000210304_100000719032 [0,1,0,0,0,0|2,0,1]=4 1744 B15R1.1208 O=C(C=Cc1ccccc1Cl)CCCF 1458a_100000720304_100011934791 [0,1,0,0,0,0|2,0,1]=4 1745 B15R1.1208 O=C(C=Cc1ccccc1Cl)CCCO 1458a_100000720304_100011215043 [0,1,0,0,0,0|2,0,1]=4 1746 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCF 11a_100000724931_100000720304 [0,1,0,0,0,0|2,0,1]=4 1747 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCF 1626a_100000724931_100000720304 [0,1,0,0,0,0|2,0,1]=4 1748 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCF 240690a_100000724931_100000720304 [0,1,0,0,0,0|2,0,1]=4 1749 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCO 240690a_100000210304_100000720304 [0,1,0,0,0,0|2,0,1]=4 1750 B15R1.1208 O=C(C=Cc1ccccc1F)CCCF 1458a_100016256065_100011934791 [0,1,0,0,0,0|2,0,1]=4 1751 B15R1.1208 O=C(C=Cc1ccccc1F)CCCO 1458a_100016256065_100011215043 [0,1,0,0,0,0|2,0,1]=4 1752 B15R1.1208 O=C(C=Cc1ccccc1F)NCCF 11a_100000724931_100016256065 [0,1,0,0,0,0|2,0,1]=4 1753 B15R1.1208 O=C(C=Cc1ccccc1F)NCCF 1626a_100000724931_100016256065 [0,1,0,0,0,0|2,0,1]=4 1754 B15R1.1208 O=C(C=Cc1ccccc1F)NCCF 240690a_100000724931_100016256065 [0,1,0,0,0,0|2,0,1]=4 1755 B15R1.1208 O=C(C=Cc1ccccc1F)NCCO 240690a_100000210304_100016256065 [0,1,0,0,0,0|2,0,1]=4 1756 B15R1.1208 O=C(C=Cc1ccccc1O)CCCF 1458a_100016263591_100011934791 [0,1,0,0,0,0|2,0,1]=4 1757 B15R1.1208 O=C(C=Cc1ccccc1O)CCCO 1458a_100016263591_100011215043 [0,1,0,0,0,0|2,0,1]=4 1758 B15R1.5919 C=C(C)CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000730704 [0,1,0,0,0,0|1,0,2]=4 1759 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000730704 [0,1,0,0,0,0|1,0,0]=2 1760 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000730704 [0,1,0,0,0,0|2,0,0]=3 1761 B15R1.5919 C=C(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000730704 [0,1,0,0,0,0|2,0,0]=3 1762 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000730704 [0,1,0,0,0,0|2,0,0]=3 1763 B15R1.5919 C=C(C)CCC(=O)CCc1ccccc1 1458a_100000185753_100000730704 [0,1,0,0,0,0|1,0,2]=4 1764 B15R1.5919 C=C(C)CCC(=O)CCc1ccccc1 1458a_200000688413_100000765856 [0,1,0,0,0,0|1,0,2]=4 1765 B15R1.5919 C=C(C)CCC(=O)COc1ccccc1 1458a_100000186222_100000730704 [0,1,0,0,0,0|2,0,1]=4 1766 B15R1.5919 C=C(C)CCC(=O)CSc1ccccc1 1458a_100000211596_100000730704 [0,1,0,0,0,0|2,0,1]=4 1767 B15R1.5919 C=C(C)CCC(=O)NCc1ccccc1 11a_100015324214_200000688413 [0,1,0,0,0,0|2,0,1]=4 1768 B15R1.5919 C=C(C)CCC(=O)NCc1ccccc1 1626a_100015324214_200000688413 [0,1,0,0,0,0|2,0,1]=4 1769 B15R1.5919 C=C(C)CCC(=O)NCc1ccccc1 240690a_100015324214_200000688413 [0,1,0,0,0,0|2,0,1]=4 1770 B15R1.5919 C=C(C)CCC(=O)NCc1ccccc1 527a_100015324214_200000688413 [0,1,0,0,0,0|2,0,1]=4 1771 B15R1.5919 C=C(C)CCC(=O)NNc1ccccc1 22a_100015195140_200000688413 [0,1,0,0,0,0|3,0,0]=4 1772 B15R1.5919 C=C(C)CNC(=O)C#Cc1ccccc1 240690a_100000765925_100000736102 [0,1,0,0,0,0|1,0,2]=4 1773 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccc1 11a_100000765925_100000210462 [0,1,0,0,0,0|1,0,0]=2 1774 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccc1 1626a_100000765925_100000210462 [0,1,0,0,0,0|1,0,0]=2 1775 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccn1 11a_100000765925_100000740811 [0,1,0,0,0,0|2,0,0]=3 1776 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccn1 240690a_100000765925_100000740811 [0,1,0,0,0,0|2,0,0]=3 1777 B15R1.5919 C=C(C)CNC(=O)C=Cc1cccnc1 11a_100000765925_100000735890 [0,1,0,0,0,0|2,0,0]=3 1778 B15R1.5919 C=C(C)CNC(=O)C=Cc1cccnc1 240690a_100000765925_100000735890 [0,1,0,0,0,0|2,0,0]=3 1779 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccncc1 240690a_100000765925_100000682801 [0,1,0,0,0,0|2,0,0]=3 1780 B15R1.5919 C=C(C)CNC(=O)CCc1ccccc1 11a_100000765925_100000185753 [0,1,0,0,0,0|1,0,2]=4 1781 B15R1.5919 C=C(C)CNC(=O)CCc1ccccc1 1626a_100000765925_100000185753 [0,1,0,0,0,0|1,0,2]=4 1782 B15R1.5919 C=C(C)CNC(=O)CCc1ccccc1 240690a_100000765925_100000185753 [0,1,0,0,0,0|1,0,2]=4 1783 B15R1.5919 C=C(C)CNC(=O)CCc1ccccc1 527a_100000765925_100000185753 [0,1,0,0,0,0|1,0,2]=4 1784 B15R1.5919 C=C(C)CNC(=O)COc1ccccc1 11a_100000765925_100000186222 [0,1,0,0,0,0|2,0,1]=4 1785 B15R1.5919 C=C(C)CNC(=O)COc1ccccc1 1626a_100000765925_100000186222 [0,1,0,0,0,0|2,0,1]=4 1786 B15R1.5919 C=C(C)CNC(=O)COc1ccccc1 240690a_100000765925_100000186222 [0,1,0,0,0,0|2,0,1]=4 1787 B15R1.5919 C=C(C)CNC(=O)COc1ccccc1 527a_100000765925_100000186222 [0,1,0,0,0,0|2,0,1]=4 1788 B15R1.5919 C=C(C)CNC(=O)CSc1ccccc1 11a_100000765925_100000211596 [0,1,0,0,0,0|2,0,1]=4 1789 B15R1.5919 C=C(C)CNC(=O)CSc1ccccc1 1626a_100000765925_100000211596 [0,1,0,0,0,0|2,0,1]=4 1790 B15R1.5919 C=C(C)CNC(=O)CSc1ccccc1 240690a_100000765925_100000211596 [0,1,0,0,0,0|2,0,1]=4 1791 B15R1.5919 C=C(C)CNC(=O)CSc1ccccc1 527a_100000765925_100000211596 [0,1,0,0,0,0|2,0,1]=4 1792 B15R1.5919 C=C(C)CNC(=O)NCc1ccccc1 2708a_100000765925_100015324214 [0,1,0,0,0,0|2,0,1]=4 1793 B15R1.5919 C=C(C)CNC(=O)NCc1ccccc1 2708a_100015324214_100000765925 [0,1,0,0,0,0|2,0,1]=4 1794 B15R1.5919 C=C(C)CNC(=O)NCc1ccccc1 273464a_100000765925_100015324214 [0,1,0,0,0,0|2,0,1]=4 1795 B15R1.5919 C=C(C)CNC(=O)NCc1ccccc1 273464a_100015324214_100000765925 [0,1,0,0,0,0|2,0,1]=4 1796 B15R1.5919 C=C(C)CNC(=O)NCc1ccccc1 512a_100000765925_100015324214 [0,1,0,0,0,0|2,0,1]=4 1797 B15R1.5919 C=C(C)CNC(=O)NCc1ccccc1 512a_100015324214_100000765925 [0,1,0,0,0,0|2,0,1]=4 1798 B15R1.5919 C=C(C)CNC(=O)NNc1ccccc1 273464a_100000765925_100015195140 [0,1,0,0,0,0|3,0,0]=4 1799 B15R1.5919 C=C(C)CNC(=O)NNc1ccccc1 512a_100000765925_100015195140 [0,1,0,0,0,0|3,0,0]=4 1800 B15R1.5919 CC(=CCC(=O)C=Cc1ccccc1)C 1458a_100000210462_100000761012 [0,1,0,0,0,0|1,0,2]=4 1801 B15R1.5919 CC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_200000210301 [0,1,0,0,0,0|1,0,1]=3 1802 B15R1.5919 CC(=O)NNC(=O)C=Cc1ccccc1 22a_100000189765_100000210462 [0,1,0,0,0,0|2,0,1]=4 1803 B15R1.5919 CC(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210312 [0,1,0,0,0,0|1,0,2]=4 1804 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccc1 11a_100000210953_100000210462 [0,1,0,0,0,0|1,0,2]=4 1805 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccc1 1626a_100000210953_100000210462 [0,1,0,0,0,0|1,0,2]=4 1806 B15R1.5919 CC(O)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100012276601 [0,1,0,0,0,0|1,0,2]=4 1807 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccc1 11a_100000210904_100000210462 [0,1,0,0,0,0|1,0,2]=4 1808 B15R1.5919 NC(=O)CNC(=O)C=Cc1ccccc1 11a_100000711301_100000210462 [0,1,0,0,0,0|2,0,0]=3 1809 B15R1.5919 NC(=O)CNC(=O)C=Cc1ccccn1 11a_100000711301_100000740811 [0,1,0,0,0,0|3,0,0]=4 1810 B15R1.5919 NC(=O)CNC(=O)C=Cc1ccccn1 240690a_100000711301_100000740811 [0,1,0,0,0,0|3,0,0]=4 1811 B15R1.5919 NC(=O)CNC(=O)C=Cc1cccnc1 11a_100000711301_100000735890 [0,1,0,0,0,0|3,0,0]=4 1812 B15R1.5919 NC(=O)CNC(=O)C=Cc1cccnc1 240690a_100000711301_100000735890 [0,1,0,0,0,0|3,0,0]=4 1813 B15R1.5919 NC(=O)CNC(=O)C=Cc1ccncc1 240690a_100000711301_100000682801 [0,1,0,0,0,0|3,0,0]=4 1814 B15R1.5919 O=C(C=Cc1ccccc1)NCC(F)F 11a_100000765723_100000210462 [0,1,0,0,0,0|2,0,1]=4 1815 B15R1.5919 O=C(C=Cc1ccccc1)NCC(F)F 1626a_100000765723_100000210462 [0,1,0,0,0,0|2,0,1]=4 1816 B15R1.5919 [13CH3]C(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_200025704644 [0,1,0,0,0,0|1,0,1]=3 1817 B15R1.5934 C=CCNS(=O)(=O)C=Cc1ccccc1 40a_100020586998_100011098038 [0,1,0,0,0,0|2,0,0]=3 1818 B13R0.176 C=CCNC(=O)C=CC(=O)OCC=C 1626a_100020586998_200011996189 [0,0,1,0,0,0|2,0,1]=4 1819 B13R0.176 C=CCNC(=O)C=CC(=O)OCC=C 240690a_100020586998_200011996189 [0,0,1,0,0,0|2,0,1]=4 1820 B15R2.33 O=c1cc(c(c[nH]1)F)c2ccccc2 271570a_100011218836_100009817642 [0,0,0,1,0,0|2,0,1]=4 1821 B15R2.38 O=c1[nH]nccc1Nc2ccccc2 27a_100000106764_100000087129 [0,0,0,1,0,0|3,0,0]=4 1822 B15R2.38 O=c1[nH]nccc1Sc2ccccc2 62a_100000719477_100000087129 [0,0,0,1,0,0|3,0,0]=4 1823 B15R2.352 C#CCOc1ccc2ccccc2c1 34a_100000185828_100000184674 [0,0,0,1,0,0|1,0,2]=4 1824 B15R2.352 C#CCOc1ccc2ccccc2c1 7a_100000185828_100000038162 [0,0,0,1,0,0|1,0,2]=4 1825 B15R2.352 C=CCNc1ccc2ccccc2c1 34a_100000211940_100015514636 [0,0,0,1,0,0|2,0,0]=3 1826 B15R2.352 C=CCNc1ccc2ccccc2c1 7a_100000211940_100015514636 [0,0,0,1,0,0|2,0,0]=3 1827 B15R2.352 C=CCNc1ccc2ccccc2n1 27a_100020586998_100011291633 [0,0,0,1,0,0|2,0,0]=3 1828 B15R2.352 C=CCNc1ccc2cccnc2c1 34a_100102887122_100015514636 [0,0,0,1,0,0|3,0,0]=4 1829 B15R2.352 C=CCNc1ccc2cccnc2n1 27a_100020586998_100000075685 [0,0,0,1,0,0|3,0,0]=4 1830 B15R2.352 C=CCNc1ccc2ccncc2n1 27a_100020586998_100000020162 [0,0,0,1,0,0|3,0,0]=4 1831 B15R2.352 C=CCNc1ccc2cnccc2c1 34a_100000039641_100015514636 [0,0,0,1,0,0|3,0,0]=4 1832 B15R2.352 C=CCNc1ccc2ncccc2c1 34a_100011198106_100015514636 [0,0,0,1,0,0|3,0,0]=4 1833 B15R2.352 C=CCNc1ccc2ncccc2n1 27a_100020586998_100000073381 [0,0,0,1,0,0|3,0,0]=4 1834 B15R2.352 C=CCNc1cnc2ccccc2n1 27a_100020586998_100000756483 [0,0,0,1,0,0|3,0,0]=4 1835 B15R2.352 C=CCNc1ncc2ccccc2n1 27a_100020586998_100000097389 [0,0,0,1,0,0|3,0,0]=4 1836 B15R2.352 C=CCOc1ccc2ccccc2c1 34a_100000185828_100015514636 [0,0,0,1,0,0|1,0,0]=2 1837 B15R2.352 C=CCOc1ccc2ccccc2c1 7a_100000185828_100015514636 [0,0,0,1,0,0|1,0,0]=2 1838 B15R2.352 C=CCOc1ccc2cccnc2c1 34a_100011216045_100015514636 [0,0,0,1,0,0|2,0,0]=3 1839 B15R2.352 C=CCOc1ccc2ccncc2c1 7a_100000752006_100015514636 [0,0,0,1,0,0|2,0,0]=3 1840 B15R2.352 C=CCOc1ccc2cnccc2c1 34a_100000046372_100015514636 [0,0,0,1,0,0|2,0,0]=3 1841 B15R2.352 C=CCOc1ccc2cnccc2c1 7a_100000046372_100015514636 [0,0,0,1,0,0|2,0,0]=3 1842 B15R2.352 C=CCOc1ccc2ncccc2c1 34a_100011215586_100015514636 [0,0,0,1,0,0|2,0,0]=3 1843 B15R2.352 C=CCOc1ccc2ncccc2c1 7a_100011215586_100015514636 [0,0,0,1,0,0|2,0,0]=3 1844 B15R2.352 C=CCOc1ccc2nccnc2c1 34a_100000694412_100015514636 [0,0,0,1,0,0|3,0,0]=4 1845 B15R2.352 C=CCOc1cnc2ccccc2c1 34a_100011934006_100015514636 [0,0,0,1,0,0|2,0,0]=3 1846 B15R2.352 C=CCOc1cnc2ccccc2c1 7a_100011934006_100015514636 [0,0,0,1,0,0|2,0,0]=3 1847 B15R2.352 C=CCSc1cc2ccccc2cn1 62a_100000210623_100000047361 [0,0,0,1,0,0|2,1,0]=4 1848 B15R2.352 C=CCSc1cc2ccccc2cn1 62a_100009816522_100000210623 [0,0,0,1,0,0|2,1,0]=4 1849 B15R2.352 C=CCSc1ccc2ccccc2c1 62a_100000210623_100000233703 [0,0,0,1,0,0|1,1,0]=3 1850 B15R2.352 C=CCSc1ccc2ccccc2n1 62a_100000210623_100011291633 [0,0,0,1,0,0|1,1,0]=3 1851 B15R2.352 C=CCSc1ccc2ccccc2n1 62a_100011291633_100000210623 [0,0,0,1,0,0|1,1,0]=3 1852 B15R2.352 C=CCSc1ccc2cccnc2c1 62a_100000210623_100009816655 [0,0,0,1,0,0|2,1,0]=4 1853 B15R2.352 C=CCSc1ccc2cccnc2n1 62a_100000075685_100000210623 [0,0,0,1,0,0|2,1,0]=4 1854 B15R2.352 C=CCSc1ccc2cccnc2n1 62a_100000210623_100000075685 [0,0,0,1,0,0|2,1,0]=4 1855 B15R2.352 C=CCSc1ccc2ccncc2c1 62a_100000210623_100000686496 [0,0,0,1,0,0|2,1,0]=4 1856 B15R2.352 C=CCSc1ccc2ccncc2c1 62a_100000686496_100000210623 [0,0,0,1,0,0|2,1,0]=4 1857 B15R2.352 C=CCSc1ccc2ccncc2n1 62a_100000210623_100000020162 [0,0,0,1,0,0|2,1,0]=4 1858 B15R2.352 C=CCSc1ccc2cnccc2c1 62a_100000210623_100009816743 [0,0,0,1,0,0|2,1,0]=4 1859 B15R2.352 C=CCSc1ccc2cnccc2c1 62a_100009816743_100000210623 [0,0,0,1,0,0|2,1,0]=4 1860 B15R2.352 C=CCSc1ccc2ncccc2c1 62a_100000210623_100011215947 [0,0,0,1,0,0|2,1,0]=4 1861 B15R2.352 C=CCSc1ccc2ncccc2c1 62a_100011215947_100000210623 [0,0,0,1,0,0|2,1,0]=4 1862 B15R2.352 C=CCSc1ccc2ncccc2n1 62a_100000210623_100000073381 [0,0,0,1,0,0|2,1,0]=4 1863 B15R2.352 C=CCSc1cnc2ccccc2c1 62a_100000210623_100000737414 [0,0,0,1,0,0|2,1,0]=4 1864 B15R2.352 C=CCSc1cnc2ccccc2n1 62a_100000210623_100000756483 [0,0,0,1,0,0|2,1,0]=4 1865 B15R2.352 C=CCSc1cnc2ccccc2n1 62a_100000756483_100000210623 [0,0,0,1,0,0|2,1,0]=4 1866 B15R2.352 C=CCSc1ncc2ccccc2n1 62a_100000210623_100000097389 [0,0,0,1,0,0|2,1,0]=4 1867 B15R2.352 CCCOc1ccc2ccccc2c1 34a_100000185828_100000210303 [0,0,0,1,0,0|1,0,2]=4 1868 B15R2.352 CCCOc1ccc2ccccc2c1 7a_100000185828_100000210303 [0,0,0,1,0,0|1,0,2]=4 1869 B15R2.352 CSCOc1ccc2ccccc2c1 34a_100000185828_100011218213 [0,0,0,1,0,0|2,0,1]=4 1870 B15R2.352 FCCOc1ccc2ccccc2c1 34a_100000185828_100011217306 [0,0,0,1,0,0|2,0,1]=4 1871 B15R2.352 FCCOc1ccc2ccccc2c1 7a_100000185828_100011217306 [0,0,0,1,0,0|2,0,1]=4 1872 B15R2.352 N#CCOc1ccc2ccccc2c1 7a_100000185828_100011215382 [0,0,0,1,0,0|2,0,1]=4 1873 B15R2.352 O=CCNc1ccc2ccccc2c1 34a_100000211940_200009817547 [0,0,0,1,0,0|3,0,0]=4 1874 B15R2.352 O=CCNc1ccc2ccccc2c1 7a_100000211940_200015260668 [0,0,0,1,0,0|3,0,0]=4 1875 B15R2.352 O=CCOc1ccc2ccccc2c1 34a_100000185828_200009817547 [0,0,0,1,0,0|2,0,0]=3 1876 B15R2.352 O=CCOc1ccc2ccccc2c1 7a_100000185828_200015260668 [0,0,0,1,0,0|2,0,0]=3 1877 B15R2.352 O=CCOc1ccc2cccnc2c1 34a_100011216045_200009817547 [0,0,0,1,0,0|3,0,0]=4 1878 B15R2.352 O=CCOc1ccc2ccncc2c1 7a_100000752006_200015260668 [0,0,0,1,0,0|3,0,0]=4 1879 B15R2.352 O=CCOc1ccc2cnccc2c1 34a_100000046372_200009817547 [0,0,0,1,0,0|3,0,0]=4 1880 B15R2.352 O=CCOc1ccc2cnccc2c1 7a_100000046372_200015260668 [0,0,0,1,0,0|3,0,0]=4 1881 B15R2.352 O=CCOc1ccc2ncccc2c1 34a_100011215586_200009817547 [0,0,0,1,0,0|3,0,0]=4 1882 B15R2.352 O=CCOc1ccc2ncccc2c1 7a_100011215586_200015260668 [0,0,0,1,0,0|3,0,0]=4 1883 B15R2.352 O=CCOc1cnc2ccccc2c1 34a_100011934006_200009817547 [0,0,0,1,0,0|3,0,0]=4 1884 B15R2.352 O=CCOc1cnc2ccccc2c1 7a_100011934006_200015260668 [0,0,0,1,0,0|3,0,0]=4 1885 B15R2.352 O=CCSc1ccc2ccccc2c1 62a_200015260668_100000233703 [0,0,0,1,0,0|2,1,0]=4 1886 B15R2.352 O=CCSc1ccc2ccccc2n1 62a_100011291633_200015260668 [0,0,0,1,0,0|2,1,0]=4 1887 B15R2.352 O=CCSc1ccc2ccccc2n1 62a_200015260668_100011291633 [0,0,0,1,0,0|2,1,0]=4 1888 B15R2.352 OCCOc1ccc2ccccc2c1 34a_100000185828_100000211926 [0,0,0,1,0,0|2,0,1]=4 1889 B15R2.352 OCCOc1ccc2ccccc2c1 7a_100000185828_100000211926 [0,0,0,1,0,0|2,0,1]=4 1890 B15R2.355 O=C1COC(=O)C1Nc2ccccc2 34a_100000106764_100000032967 [0,0,0,1,0,0|2,0,1]=4 1891 B15R2.355 O=C1COC(=O)C1Oc2ccccc2 34a_100000210340_100000032967 [0,0,0,1,0,0|2,0,1]=4 1892 B15R2.355 O=C1COC(=O)C1Sc2ccccc2 62a_100000719477_100000032967 [0,0,0,1,0,0|2,0,1]=4 1893 B15R2.2195 C(=Cc1ccccc1)c2ccccc2 271570a_100102527694_100000210277 [0,0,0,1,0,0|2,0,1]=4 1894 B15R2.2195 C(=Cc1ccccn1)c2ccccc2 271570a_100102527694_100011216584 [0,0,0,1,0,0|2,0,1]=4 1895 B15R2.2195 C(=Cc1cccnc1)c2ccccc2 271570a_100102525586_100000210277 [0,0,0,1,0,0|3,0,0]=4 1896 B15R2.2195 C(=Cc1cccnc1)c2ccccc2 271570a_100102527694_100000752921 [0,0,0,1,0,0|3,0,0]=4 1897 B15R2.2195 C(=Cc1cccnn1)c2ccccc2 271570a_100102527694_100016991348 [0,0,0,1,0,0|3,0,0]=4 1898 B15R2.2195 C(=Cc1cnccn1)c2ccccc2 271570a_100102527694_100000758340 [0,0,0,1,0,0|3,0,0]=4 1899 B15R2.2195 C(=Cc1ncccn1)c2ccccc2 271570a_100102527694_100000211032 [0,0,0,1,0,0|2,0,1]=4 1900 B15R2.24490 O=C(C=Cc1ccccc1)C2CCC2 1458a_100000210462_100000749161 [0,0,0,1,0,0|1,0,2]=4 1901 B15R2.24490 O=C(C=Cc1ccccc1)C2COC2 1458a_100000210462_100000687716 [0,0,0,1,0,0|2,0,1]=4 1902 B15R2.24490 O=C(C=Cc1ccccc1)N2CCC2 11a_100000754969_100000210462 [0,0,0,1,0,0|1,0,2]=4 1903 B15R2.24494 O=C(C=Cc1ccccc1)CC2CC2 1458a_100000210462_100000742324 [0,0,0,1,0,0|1,0,2]=4 1904 B15R2.24494 O=C(C=Cc1ccccc1)CC2CO2 1458a_100000210462_100011216344 [0,0,0,1,0,0|2,0,1]=4 1905 B15R2.24494 O=C(C=Cc1ccccc1)CC2CS2 1458a_100000210462_100000031435 [0,0,0,1,0,0|2,0,1]=4 1906 B15R2.24494 O=C(C=Cc1ccccc1)C[C@@H]2CO2 1458a_100000210462_100000745022 [0,0,0,1,0,0|2,0,1]=4 1907 B15R2.24494 O=C(C=Cc1ccccc1)NC2CC2 1626a_100000212008_100000210462 [0,0,0,1,0,0|1,0,2]=4 1908 B15R2.92869 C=CCCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000754431 [0,0,0,1,0,0|1,0,2]=4 1909 B15R2.92869 C=CCNC(=O)C1Cc2c1cccc2 1626a_100020586998_200000238571 [0,0,0,1,0,0|1,0,2]=4 1910 B15R2.92869 C=CCNC(=O)C1Cc2c1cccc2 240690a_100020586998_200000238571 [0,0,0,1,0,0|1,0,2]=4 1911 B15R2.92869 C=CCNC(=O)C1Cc2c1cccc2 527a_100020586998_200000238571 [0,0,0,1,0,0|1,0,2]=4 1912 B13R1.44 C=CC=CC(=O)Cc1ccccc1 1458a_100016291481_100015291786 [0,0,0,0,1,0|1,0,2]=4 1913 B13R1.44 C=CC=CC(=O)Nc1ccccc1 1626a_100000106764_100016291481 [0,0,0,0,1,0|2,0,1]=4 1914 B13R1.44 C=CC=CC(=O)Nc1ccccc1 22a_100000106764_100016291481 [0,0,0,0,1,0|2,0,1]=4 1915 B13R1.44 C=CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000754431 [0,0,0,0,1,0|2,0,1]=4 1916 B13R1.44 C=CCCC(=O)Cc1ccccc1 1458a_100000749702_100015291786 [0,0,0,0,1,0|1,0,1]=3 1917 B13R1.44 C=CCCC(=O)Cc1ccccn1 1458a_100000233486_100000754431 [0,0,0,0,1,0|2,0,1]=4 1918 B13R1.44 C=CCCC(=O)Cc1ccccn1 1458a_100000749702_100000721315 [0,0,0,0,1,0|2,0,1]=4 1919 B13R1.44 C=CCCC(=O)Cc1cccnc1 1458a_100000737805_100000754431 [0,0,0,0,1,0|2,0,1]=4 1920 B13R1.44 C=CCCC(=O)Cc1cccnc1 1458a_100000749702_100000733263 [0,0,0,0,1,0|2,0,1]=4 1921 B13R1.44 C=CCCC(=O)Cc1ccncc1 1458a_100000749702_100000705612 [0,0,0,0,1,0|2,0,1]=4 1922 B13R1.44 C=CCCC(=O)Nc1ccccc1 11a_100000106764_100000749702 [0,0,0,0,1,0|2,0,0]=3 1923 B13R1.44 C=CCCC(=O)Nc1ccccc1 1626a_100000106764_100000749702 [0,0,0,0,1,0|2,0,0]=3 1924 B13R1.44 C=CCCC(=O)Nc1ccccc1 22a_100000106764_100000749702 [0,0,0,0,1,0|2,0,0]=3 1925 B13R1.44 C=CCCC(=O)Nc1ccccc1 527a_100000106764_100000749702 [0,0,0,0,1,0|2,0,0]=3 1926 B13R1.44 C=CCNC(=O)C[n+]1ccccc1 240690a_100020586998_200000086051 [0,0,0,0,1,0|2,0,1]=4 1927 B13R1.44 C=CCNC(=O)C[n+]1ccccc1 527a_100020586998_200000086051 [0,0,0,0,1,0|2,0,1]=4 1928 B13R1.44 C=CCNC(=O)Cc1cccnc1 240690a_100020586998_100000737805 [0,0,0,0,1,0|2,0,1]=4 1929 B13R1.44 C=CCNC(=O)Cc1cccnc1 527a_100020586998_100000737805 [0,0,0,0,1,0|2,0,1]=4 1930 B13R1.44 C=CCNC(=O)Cc1ccncc1 240690a_100020586998_100011201483 [0,0,0,0,1,0|2,0,1]=4 1931 B13R1.44 C=CCNC(=O)Nc1ccccc1 2430a_100000106764_100020586998 [0,0,0,0,1,0|2,0,0]=3 1932 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_100000748627_100015514636 [0,0,0,0,1,0|1,0,2]=4 1933 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_200000210373_200011218536 [0,0,0,0,1,0|1,0,2]=4 1934 B13R1.44 C=CCOC(C)Cc1ccccc1 7a_100000748627_100015514636 [0,0,0,0,1,0|1,0,2]=4 1935 B13R1.153 C=CCCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000754431 [0,0,0,0,1,0|3,0,0]=4 1936 B13R1.153 C=CCCC(=O)C=Cc1cccs1 1458a_100000182767_100000754431 [0,0,0,0,1,0|2,0,0]=3 1937 B13R1.153 C=CCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000754431 [0,0,0,0,1,0|2,0,0]=3 1938 B13R1.153 C=CCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000754431 [0,0,0,0,1,0|2,0,0]=3 1939 B13R1.153 C=CCCC(=O)C=Cc1cscn1 1458a_200000747928_100000754431 [0,0,0,0,1,0|3,0,0]=4 1940 B13R1.153 C=CCCC(=O)C=Cc1nccs1 1458a_100102558208_100000754431 [0,0,0,0,1,0|3,0,0]=4 1941 B13R1.153 C=CCCC(=O)C=Cc1nccs1 6a_100000750902_100000762624 [0,0,0,0,1,0|3,0,0]=4 1942 B13R1.153 C=CCNC(=O)C=Cc1c[nH]cn1 240690a_100020586998_100102678534 [0,0,0,0,1,0|3,0,0]=4 1943 B13R1.153 C=CCNC(=O)C=Cc1cccs1 1626a_100020586998_100000182767 [0,0,0,0,1,0|2,0,0]=3 1944 B13R1.153 C=CCNC(=O)C=Cc1cccs1 240690a_100020586998_100000182767 [0,0,0,0,1,0|2,0,0]=3 1945 B13R1.153 C=CCNC(=O)C=Cc1ccoc1 1626a_100020586998_100000238621 [0,0,0,0,1,0|2,0,0]=3 1946 B13R1.153 C=CCNC(=O)C=Cc1ccoc1 240690a_100020586998_100000238621 [0,0,0,0,1,0|2,0,0]=3 1947 B13R1.153 C=CCNC(=O)C=Cc1ccsc1 1626a_100020586998_100000698588 [0,0,0,0,1,0|2,0,0]=3 1948 B13R1.153 C=CCNC(=O)C=Cc1ccsc1 240690a_100020586998_100000698588 [0,0,0,0,1,0|2,0,0]=3 1949 B13R1.153 C=CCNC(=O)C=Cc1ccsc1 527a_100020586998_100000698588 [0,0,0,0,1,0|2,0,0]=3 1950 B13R1.153 C=CCNC(=O)C=Cc1cscn1 1626a_100020586998_200000747928 [0,0,0,0,1,0|3,0,0]=4 1951 B13R1.153 C=CCNC(=O)C=Cc1cscn1 240690a_100020586998_200000747928 [0,0,0,0,1,0|3,0,0]=4 1952 B13R1.153 C=CCNC(=O)C=Cc1nccs1 240690a_100020586998_100102558208 [0,0,0,0,1,0|3,0,0]=4 1953 B13R1.153 C=CCOC(=O)COc1ccsc1 34a_100000106738_100000033060 [0,0,0,0,1,0|2,0,1]=4 1954 B13R1.153 C=CCOC(=O)COc1ccsc1 7a_100000106738_100000033060 [0,0,0,0,1,0|2,0,1]=4 1955 B13R1.153 C=CCOC(=O)CSc1ccco1 62a_100000033060_100009814098 [0,0,0,0,1,0|2,0,1]=4 1956 B13R1.153 C=CCOC(=O)CSc1ccco1 62a_100009814098_100000033060 [0,0,0,0,1,0|2,0,1]=4 1957 B13R1.153 C=CCOC(=O)CSc1cccs1 62a_100000033060_100011215356 [0,0,0,0,1,0|2,0,1]=4 1958 B13R1.153 C=CCOC(=O)CSc1cccs1 62a_100011215356_100000033060 [0,0,0,0,1,0|2,0,1]=4 1959 B13R1.153 C=CCOC(=O)CSc1ccoc1 62a_100000033060_100011215275 [0,0,0,0,1,0|2,0,1]=4 1960 B13R1.153 C=CCOC(=O)CSc1ccoc1 62a_100011215275_100000033060 [0,0,0,0,1,0|2,0,1]=4 1961 B13R1.153 C=CCOC(=O)CSc1ccsc1 62a_100000033060_100000738268 [0,0,0,0,1,0|2,0,1]=4 1962 B13R1.153 C=CCOC(=O)CSc1ccsc1 62a_100000738268_100000033060 [0,0,0,0,1,0|2,0,1]=4 1963 B15R1.157 C#CCCC(=O)C/C=C/c1ccccc1 1458a_100000692101_100016265936 [0,0,0,0,0,1|1,0,2]=4 1964 B15R1.157 C#CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000753159 [0,0,0,0,0,1|1,0,2]=4 1965 B15R1.157 C#CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000753159 [0,0,0,0,0,1|1,0,2]=4 1966 B15R1.157 C#CCNC(=O)C/C=C/c1ccccc1 11a_100000212058_100011219626 [0,0,0,0,0,1|1,0,2]=4 1967 B15R1.157 C#CCNC(=O)C/C=C/c1ccccc1 1626a_100000212058_100011219626 [0,0,0,0,0,1|1,0,2]=4 1968 B15R1.157 C#CCNC(=O)C/C=C/c1ccccc1 240690a_100000212058_100011219626 [0,0,0,0,0,1|1,0,2]=4 1969 B15R1.157 C#CCNC(=O)C=CSc1ccccc1 11a_100000212058_100016262050 [0,0,0,0,0,1|1,0,2]=4 1970 B15R1.157 C#CCNC(=O)C=CSc1ccccc1 1626a_100000212058_100016262050 [0,0,0,0,0,1|1,0,2]=4 1971 B15R1.157 C#CCNC(=O)C=CSc1ccccc1 240690a_100000212058_100016262050 [0,0,0,0,0,1|1,0,2]=4 1972 B15R1.157 C/C=C/CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100102629194 [0,0,0,0,0,1|1,0,2]=4 1973 B15R1.157 C/C=C/CC(=O)C=CSc1ccccc1 1458a_100016262050_100102629194 [0,0,0,0,0,1|1,0,2]=4 1974 B15R1.157 C=CC=CC(=O)C/C=C/c1ccccc1 1458a_100016291481_100016265936 [0,0,0,0,0,1|1,0,1]=3 1975 B15R1.157 C=CCCC(=O)C/C=C/c1ccccc1 1458a_100000749702_100016265936 [0,0,0,0,0,1|1,0,0]=2 1976 B15R1.157 C=CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000754431 [0,0,0,0,0,1|1,0,0]=2 1977 B15R1.157 C=CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000754431 [0,0,0,0,0,1|1,0,0]=2 1978 B15R1.157 C=CCCC(=O)CC#Cc1ccccc1 1458a_100000749702_100011352542 [0,0,0,0,0,1|1,0,2]=4 1979 B15R1.157 C=CCCC(=O)CCCc1ccccc1 1458a_100000749702_100000211621 [0,0,0,0,0,1|1,0,2]=4 1980 B15R1.157 C=CCCC(=O)CCCc1ccccc1 1458a_100011207963_100000754431 [0,0,0,0,0,1|1,0,2]=4 1981 B15R1.157 C=CCCC(=O)CCOc1ccccc1 1458a_100000182761_100000754431 [0,0,0,0,0,1|1,0,2]=4 1982 B15R1.157 C=CCCC(=O)CCOc1ccccc1 1458a_100000749702_100000184471 [0,0,0,0,0,1|1,0,2]=4 1983 B15R1.157 C=CCCC(=O)CCSc1ccccc1 1458a_100000182436_100000754431 [0,0,0,0,0,1|1,0,2]=4 1984 B15R1.157 C=CCCC(=O)CCSc1ccccc1 1458a_100000749702_100000246102 [0,0,0,0,0,1|1,0,2]=4 1985 B15R1.157 C=CCCC(=O)COCc1ccccc1 1458a_100000230186_100000754431 [0,0,0,0,0,1|1,0,2]=4 1986 B15R1.157 C=CCCC(=O)CSCc1ccccc1 1458a_100000150264_100000754431 [0,0,0,0,0,1|1,0,2]=4 1987 B15R1.157 C=CCCC(=O)CSCc1ccccc1 1458a_100000749702_200011217039 [0,0,0,0,0,1|1,0,2]=4 1988 B15R1.157 C=CCCC(=O)NCCc1ccccc1 11a_100000106460_100000749702 [0,0,0,0,0,1|1,0,2]=4 1989 B15R1.157 C=CCCC(=O)NCCc1ccccc1 1626a_100000106460_100000749702 [0,0,0,0,0,1|1,0,2]=4 1990 B15R1.157 C=CCCC(=O)NCCc1ccccc1 240690a_100000106460_100000749702 [0,0,0,0,0,1|1,0,2]=4 1991 B15R1.157 C=CCCC(=O)NCCc1ccccc1 527a_100000106460_100000749702 [0,0,0,0,0,1|1,0,2]=4 1992 B15R1.157 C=CCCC(=O)NNCc1ccccc1 22a_100000007032_100000749702 [0,0,0,0,0,1|2,0,1]=4 1993 B15R1.157 C=CCCN(C)C/C=C/c1ccccc1 2230a_100020639649_100016265936 [0,0,0,0,0,1|3,0,0]=4 1994 B15R1.157 C=CCCN(C)C/C=C/c1ccccc1 269982a_100020639649_100016265936 [0,0,0,0,0,1|3,0,0]=4 1995 B15R1.157 C=CCCN(C)CC=Cc1ccccc1 270004a_100020639649_100000210105 [0,0,0,0,0,1|3,0,0]=4 1996 B15R1.157 C=CCNC(=O)C/C=C/c1ccccc1 1626a_100020586998_100011219626 [0,0,0,0,0,1|1,0,0]=2 1997 B15R1.157 C=CCNC(=O)C/C=C/c1ccccc1 240690a_100020586998_100011219626 [0,0,0,0,0,1|1,0,0]=2 1998 B15R1.157 C=CCNC(=O)C=CSc1ccccc1 1626a_100020586998_100016262050 [0,0,0,0,0,1|1,0,0]=2 1999 B15R1.157 C=CCNC(=O)C=CSc1ccccc1 240690a_100020586998_100016262050 [0,0,0,0,0,1|1,0,0]=2 2000 B15R1.157 C=CCNC(=O)CCCc1ccccc1 1626a_100020586998_100011207963 [0,0,0,0,0,1|1,0,2]=4 2001 B15R1.157 C=CCNC(=O)CCCc1ccccc1 240690a_100020586998_100011207963 [0,0,0,0,0,1|1,0,2]=4 2002 B15R1.157 C=CCNC(=O)CCCc1ccccc1 527a_100020586998_100011207963 [0,0,0,0,0,1|1,0,2]=4 2003 B15R1.157 C=CCNC(=O)CCOc1ccccc1 1626a_100020586998_100000182761 [0,0,0,0,0,1|1,0,2]=4 2004 B15R1.157 C=CCNC(=O)CCOc1ccccc1 240690a_100020586998_100000182761 [0,0,0,0,0,1|1,0,2]=4 2005 B15R1.157 C=CCNC(=O)CCOc1ccccc1 7a_100000210340_100011222895 [0,0,0,0,0,1|1,0,2]=4 2006 B15R1.157 C=CCNC(=O)CCSc1ccccc1 1626a_100020586998_100000182436 [0,0,0,0,0,1|1,0,2]=4 2007 B15R1.157 C=CCNC(=O)CCSc1ccccc1 240690a_100020586998_100000182436 [0,0,0,0,0,1|1,0,2]=4 2008 B15R1.157 C=CCNC(=O)CCSc1ccccc1 62a_100000719477_100011222895 [0,0,0,0,0,1|1,0,2]=4 2009 B15R1.157 C=CCNC(=O)CCSc1ccccc1 62a_100011222895_100000041952 [0,0,0,0,0,1|1,0,2]=4 2010 B15R1.157 C=CCNC(=O)CNCc1ccccc1 2230a_100015324214_100000183597 [0,0,0,0,0,1|1,0,2]=4 2011 B15R1.157 C=CCNC(=O)COCc1ccccc1 1626a_100020586998_100000230186 [0,0,0,0,0,1|1,0,2]=4 2012 B15R1.157 C=CCNC(=O)COCc1ccccc1 240690a_100020586998_100000230186 [0,0,0,0,0,1|1,0,2]=4 2013 B15R1.157 C=CCNC(=O)COCc1ccccc1 527a_100020586998_100000230186 [0,0,0,0,0,1|1,0,2]=4 2014 B15R1.157 C=CCNC(=O)COCc1ccccc1 7a_100000210790_100000183597 [0,0,0,0,0,1|1,0,2]=4 2015 B15R1.157 C=CCNC(=O)CSCc1ccccc1 1626a_100020586998_100000150264 [0,0,0,0,0,1|1,0,2]=4 2016 B15R1.157 C=CCNC(=O)CSCc1ccccc1 240690a_100020586998_100000150264 [0,0,0,0,0,1|1,0,2]=4 2017 B15R1.157 C=CCNC(=O)CSCc1ccccc1 527a_100020586998_100000150264 [0,0,0,0,0,1|1,0,2]=4 2018 B15R1.157 C=CCNC(=O)CSCc1ccccc1 62a_100000183597_100015291786 [0,0,0,0,0,1|1,0,2]=4 2019 B15R1.157 C=CCNC(=O)CSCc1ccccc1 62a_100000211182_100000183597 [0,0,0,0,0,1|1,0,2]=4 2020 B15R1.157 C=CCNC(=O)NCCc1ccccc1 2708a_100000106460_100020586998 [0,0,0,0,0,1|1,0,2]=4 2021 B15R1.157 C=CCNC(=O)NCCc1ccccc1 273464a_100000106460_100020586998 [0,0,0,0,0,1|1,0,2]=4 2022 B15R1.157 C=CCNC(=O)NCCc1ccccc1 273464a_100020586998_100000106460 [0,0,0,0,0,1|1,0,2]=4 2023 B15R1.157 C=CCNC(=O)NCCc1ccccc1 512a_100000106460_100020586998 [0,0,0,0,0,1|1,0,2]=4 2024 B15R1.157 C=CCNC(=O)NCCc1ccccc1 512a_100020586998_100000106460 [0,0,0,0,0,1|1,0,2]=4 2025 B15R1.157 C=CCNC(=O)NNCc1ccccc1 273464a_100020586998_100000007032 [0,0,0,0,0,1|2,0,1]=4 2026 B15R1.157 C=CCNC(=O)NNCc1ccccc1 512a_100020586998_100000007032 [0,0,0,0,0,1|2,0,1]=4 2027 B15R1.157 C=CCOC(=O)CNCc1ccccc1 2230a_100015324214_100000033060 [0,0,0,0,0,1|0,0,2]=3 2028 B15R1.157 C=CCOC(=O)CNCc1ccccc1 34a_100015324214_100000033060 [0,0,0,0,0,1|0,0,2]=3 2029 B15R1.157 C=CCOC(=O)COCc1ccccc1 34a_100000210790_100000033060 [0,0,0,0,0,1|0,0,2]=3 2030 B15R1.157 C=CCOC(=O)COCc1ccccc1 7a_100000210790_100000033060 [0,0,0,0,0,1|0,0,2]=3 2031 B15R1.157 C=CCOC(=O)CSCc1ccccc1 62a_100000033060_100015291786 [0,0,0,0,0,1|0,0,2]=3 2032 B15R1.157 C=CCOC(=O)CSCc1ccccc1 62a_100000211182_100000033060 [0,0,0,0,0,1|0,0,2]=3 2033 B15R1.157 C=CCOC(=O)CSCc1ccccn1 62a_100000033060_100000721315 [0,0,0,0,0,1|1,0,2]=4 2034 B15R1.157 C=CCOC(=O)CSCc1ccccn1 62a_100000721315_100000033060 [0,0,0,0,0,1|1,0,2]=4 2035 B15R1.157 C=CCOC(=O)CSCc1cccnc1 62a_100000033060_100000741622 [0,0,0,0,0,1|1,0,2]=4 2036 B15R1.157 C=CCOC(=O)CSCc1cccnc1 62a_100000741622_100000033060 [0,0,0,0,0,1|1,0,2]=4 2037 B15R1.157 C=CCOC(=O)CSCc1ccncc1 62a_100000033060_100015193705 [0,0,0,0,0,1|1,0,2]=4 2038 B15R1.157 C=CCOC(=O)CSCc1ccncc1 62a_100015193705_100000033060 [0,0,0,0,0,1|1,0,2]=4 2039 B15R1.157 CC=CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000070051 [0,0,0,0,0,1|1,0,2]=4 2040 B15R1.157 CC=CCC(=O)C/C=C/c1ccccc1 1458a_100121576822_100016265936 [0,0,0,0,0,1|1,0,2]=4 2041 B15R1.157 CC=CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000070051 [0,0,0,0,0,1|1,0,2]=4 2042 B15R1.157 CCCCC(=O)C/C=C/c1ccccc1 1458a_100000210183_100016265936 [0,0,0,0,0,1|1,0,2]=4 2043 B15R1.157 CCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210211 [0,0,0,0,0,1|1,0,2]=4 2044 B15R1.157 CCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210211 [0,0,0,0,0,1|1,0,2]=4 2045 B15R1.157 CCCNC(=O)C/C=C/c1ccccc1 11a_100020643023_100011219626 [0,0,0,0,0,1|1,0,2]=4 2046 B15R1.157 CCCNC(=O)C/C=C/c1ccccc1 1626a_100020643023_100011219626 [0,0,0,0,0,1|1,0,2]=4 2047 B15R1.157 CCCNC(=O)C/C=C/c1ccccc1 240690a_100020643023_100011219626 [0,0,0,0,0,1|1,0,2]=4 2048 B15R1.157 CCCNC(=O)C=CSc1ccccc1 11a_100020643023_100016262050 [0,0,0,0,0,1|1,0,2]=4 2049 B15R1.157 CCCNC(=O)C=CSc1ccccc1 1626a_100020643023_100016262050 [0,0,0,0,0,1|1,0,2]=4 2050 B15R1.157 CCCNC(=O)C=CSc1ccccc1 240690a_100020643023_100016262050 [0,0,0,0,0,1|1,0,2]=4 2051 B15R1.157 COCCC(=O)C/C=C/c1ccccc1 1458a_100000749529_100016265936 [0,0,0,0,0,1|2,0,1]=4 2052 B15R1.157 COCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000233755 [0,0,0,0,0,1|2,0,1]=4 2053 B15R1.157 COCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000233755 [0,0,0,0,0,1|2,0,1]=4 2054 B15R1.157 CSCCC(=O)C/C=C/c1ccccc1 1458a_100000174002_100016265936 [0,0,0,0,0,1|2,0,1]=4 2055 B15R1.157 CSCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000751147 [0,0,0,0,0,1|2,0,1]=4 2056 B15R1.157 CSCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000751147 [0,0,0,0,0,1|2,0,1]=4 2057 B15R1.157 N#CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011215226 [0,0,0,0,0,1|2,0,1]=4 2058 B15R1.157 N#CCCC(=O)C/C=C/c1ccccc1 1458a_100011934036_100016265936 [0,0,0,0,0,1|2,0,1]=4 2059 B15R1.157 N#CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100011215226 [0,0,0,0,0,1|2,0,1]=4 2060 B15R1.157 N#CCNC(=O)C/C=C/c1ccccc1 1626a_100000734998_100011219626 [0,0,0,0,0,1|2,0,1]=4 2061 B15R1.157 N#CCNC(=O)C=CSc1ccccc1 1626a_100000734998_100016262050 [0,0,0,0,0,1|2,0,1]=4 2062 B15R1.157 O=C(C/C=C/c1ccccc1)CCCF 1458a_100011219626_100011934791 [0,0,0,0,0,1|2,0,1]=4 2063 B15R1.157 O=C(C/C=C/c1ccccc1)CCCO 1458a_100011219626_100011215043 [0,0,0,0,0,1|2,0,1]=4 2064 B15R1.157 O=C(C/C=C/c1ccccc1)NCCF 11a_100000724931_100011219626 [0,0,0,0,0,1|2,0,1]=4 2065 B15R1.157 O=C(C/C=C/c1ccccc1)NCCF 1626a_100000724931_100011219626 [0,0,0,0,0,1|2,0,1]=4 2066 B15R1.157 O=C(C/C=C/c1ccccc1)NCCF 240690a_100000724931_100011219626 [0,0,0,0,0,1|2,0,1]=4 2067 B15R1.157 O=C(C/C=C/c1ccccc1)NCCO 240690a_100000210304_100011219626 [0,0,0,0,0,1|2,0,1]=4 2068 B15R1.157 O=C(C=CSc1ccccc1)CCCF 1458a_100016262050_100011934791 [0,0,0,0,0,1|2,0,1]=4 2069 B15R1.157 O=C(C=CSc1ccccc1)CCCO 1458a_100016262050_100011215043 [0,0,0,0,0,1|2,0,1]=4 2070 B15R1.157 O=C(C=CSc1ccccc1)NCCF 11a_100000724931_100016262050 [0,0,0,0,0,1|2,0,1]=4 2071 B15R1.157 O=C(C=CSc1ccccc1)NCCF 1626a_100000724931_100016262050 [0,0,0,0,0,1|2,0,1]=4 2072 B15R1.157 O=C(C=CSc1ccccc1)NCCF 240690a_100000724931_100016262050 [0,0,0,0,0,1|2,0,1]=4 2073 B15R1.157 O=C(C=CSc1ccccc1)NCCO 240690a_100000210304_100016262050 [0,0,0,0,0,1|2,0,1]=4 2074 B12R1.8 C=CCOCCc1ccccc1 34a_100000210268_100015514636 [2,0,0,0,0,0|0,0,2]=4 2075 B12R1.8 C=CCOCCc1ccccc1 34a_200000210373_100000765856 [2,0,0,0,0,0|0,0,2]=4 2076 B12R1.8 C=CCOCCc1ccccc1 7a_100000210268_100015514636 [2,0,0,0,0,0|0,0,2]=4 2077 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [2,0,0,0,0,0|0,0,2]=4 2078 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [2,0,0,0,0,0|0,0,2]=4 2079 B12R1.8 FCOC/C=C/c1ccccc1 34a_100000210256_100015361967 [2,0,0,0,0,0|1,0,1]=4 2080 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [2,0,0,0,0,0|0,0,2]=4 2081 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [2,0,0,0,0,0|1,0,1]=4 2082 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [2,0,0,0,0,0|1,0,1]=4 2083 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [2,0,0,0,0,0|2,0,0]=4 2084 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [2,0,0,0,0,0|0,0,1]=3 2085 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [2,0,0,0,0,0|1,0,1]=4 2086 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [2,0,0,0,0,0|1,0,1]=4 2087 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [2,0,0,0,0,0|1,0,1]=4 2088 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [2,0,0,0,0,0|1,0,0]=3 2089 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [2,0,0,0,0,0|1,0,0]=3 2090 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [2,0,0,0,0,0|2,0,0]=4 2091 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [2,0,0,0,0,0|2,0,0]=4 2092 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [2,0,0,0,0,0|2,0,0]=4 2093 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [2,0,0,0,0,0|2,0,0]=4 2094 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [2,0,0,0,0,0|2,0,0]=4 2095 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [2,0,0,0,0,0|1,0,1]=4 2096 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [2,0,0,0,0,0|1,0,1]=4 2097 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [2,0,0,0,0,0|1,0,1]=4 2098 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [2,0,0,0,0,0|1,0,1]=4 2099 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [2,0,0,0,0,0|1,0,1]=4 2100 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [2,0,0,0,0,0|1,0,0]=3 2101 B12R1.27 O=C(C=Cc1ccccn1)CF 1458a_100000740811_100015361967 [2,0,0,0,0,0|2,0,0]=4 2102 B12R1.27 O=C(C=Cc1cccnc1)CF 1458a_100000735890_100015361967 [2,0,0,0,0,0|2,0,0]=4 2103 B12R1.27 O=C(C=Cc1ccncc1)CF 1458a_100000682801_100015361967 [2,0,0,0,0,0|2,0,0]=4 2104 B14R1.14 C=CCNCC=Cc1ccc(cc1)Br 270004a_100020586998_100016291818 [1,1,0,0,0,0|1,0,1]=4 2105 B14R1.14 C=CCNCC=Cc1ccc(cc1)C 270004a_100020586998_100016257026 [1,1,0,0,0,0|1,0,1]=4 2106 B14R1.14 C=CCNCC=Cc1ccc(cc1)Cl 270004a_100020586998_100102525842 [1,1,0,0,0,0|1,0,1]=4 2107 B14R1.14 C=CCNCC=Cc1ccc(cc1)F 270004a_100020586998_100016272083 [1,1,0,0,0,0|1,0,1]=4 2108 B14R1.26 C=CCNCC=Cc1cccc(c1)C 270004a_100020586998_100102525846 [1,1,0,0,0,0|1,0,1]=4 2109 B14R1.26 C=CCNCC=Cc1cccc(c1)Cl 270004a_100020586998_100016268971 [1,1,0,0,0,0|1,0,1]=4 2110 B14R1.123 C/C=C/CNC/C=C/c1ccccc1 34a_100020603302_100102629194 [1,1,0,0,0,0|1,0,1]=4 2111 B14R1.123 C/C=C/COC/C=C/c1ccccc1 34a_100000210256_100102629194 [1,1,0,0,0,0|0,0,1]=3 2112 B14R1.123 C/C=C/COC/C=C/c1ccccc1 34a_100016270725_100016265936 [1,1,0,0,0,0|0,0,1]=3 2113 B14R1.123 C/C=C/COC/C=C/c1cccnc1 34a_200102594124_100102629194 [1,1,0,0,0,0|1,0,1]=4 2114 B14R1.123 C/C=C/CSC/C=C/c1ccccc1 62a_100016265936_100102629194 [1,1,0,0,0,0|0,1,1]=4 2115 B14R1.123 C/C=C/CSC/C=C/c1ccccc1 62a_100102629194_100016265936 [1,1,0,0,0,0|0,1,1]=4 2116 B14R1.123 C=CCCNC/C=C/c1ccccc1 2230a_100015191253_100016265936 [1,1,0,0,0,0|1,0,1]=4 2117 B14R1.123 C=CCCNC/C=C/c1ccccc1 2230a_100020603302_100000754431 [1,1,0,0,0,0|1,0,1]=4 2118 B14R1.123 C=CCCNC/C=C/c1ccccc1 34a_100020603302_100000754431 [1,1,0,0,0,0|1,0,1]=4 2119 B14R1.123 C=CCCNCC=Cc1ccccc1 270004a_100015191253_100000210105 [1,1,0,0,0,0|1,0,1]=4 2120 B14R1.123 C=CCCOC/C=C/c1ccccc1 34a_100000210256_100000754431 [1,1,0,0,0,0|0,0,1]=3 2121 B14R1.123 C=CCCOC/C=C/c1ccccc1 34a_100011205117_100016265936 [1,1,0,0,0,0|0,0,1]=3 2122 B14R1.123 C=CCCOC/C=C/c1cccnc1 34a_200102594124_100000754431 [1,1,0,0,0,0|1,0,1]=4 2123 B14R1.123 C=CCCSC/C=C/c1ccccc1 62a_100000754431_100016265936 [1,1,0,0,0,0|0,1,1]=4 2124 B14R1.123 C=CCCSC/C=C/c1ccccc1 62a_100016265936_100000754431 [1,1,0,0,0,0|0,1,1]=4 2125 B14R1.123 CC=CCNC/C=C/c1ccccc1 2230a_100020603302_100000070051 [1,1,0,0,0,0|1,0,1]=4 2126 B14R1.123 CC=CCNC/C=C/c1ccccc1 34a_100020603302_100000070051 [1,1,0,0,0,0|1,0,1]=4 2127 B14R1.123 CC=CCOC/C=C/c1ccccc1 34a_100000210256_100000070051 [1,1,0,0,0,0|0,0,1]=3 2128 B14R1.123 CC=CCOC/C=C/c1cccnc1 34a_200102594124_100000070051 [1,1,0,0,0,0|1,0,1]=4 2129 B14R1.123 CC=CCSC/C=C/c1ccccc1 62a_100000070051_100016265936 [1,1,0,0,0,0|0,1,1]=4 2130 B14R1.123 CC=CCSC/C=C/c1ccccc1 62a_100016265936_100000070051 [1,1,0,0,0,0|0,1,1]=4 2131 B14R1.158 C/C(=C\c1ccccc1)/COCC=O 34a_200025717232_200009817547 [1,1,0,0,0,0|1,0,1]=4 2132 B14R1.158 C/C(=C\c1ccccc1)/COCC=O 7a_200025717232_200015260668 [1,1,0,0,0,0|1,0,1]=4 2133 B14R1.158 C=CCOC/C(=C/c1ccccc1)/C 34a_200025717232_100015514636 [1,1,0,0,0,0|0,0,1]=3 2134 B14R1.158 C=CCOC/C(=C/c1ccccc1)/C 7a_200025717232_100015514636 [1,1,0,0,0,0|0,0,1]=3 2135 B14R1.158 C=CCOCC(=O)Nc1ccccc1 34a_100000246334_100015514636 [1,1,0,0,0,0|1,0,1]=4 2136 B14R1.158 C=CCOCC(=O)Nc1ccccc1 34a_200000210373_100000182850 [1,1,0,0,0,0|1,0,1]=4 2137 B14R1.158 C=CCOCC(=O)Oc1ccccc1 34a_200000210373_100009813826 [1,1,0,0,0,0|1,0,1]=4 2138 B14R1.422 C=C(C)CNC/C=C/c1ccccc1 2230a_100020603302_100000748629 [1,1,0,0,0,0|1,0,1]=4 2139 B14R1.422 C=C(C)CNC/C=C/c1ccccc1 34a_100020603302_100000748629 [1,1,0,0,0,0|1,0,1]=4 2140 B14R1.422 C=C(C)COC/C=C/c1ccccc1 34a_100000210245_100016265936 [1,1,0,0,0,0|0,0,1]=3 2141 B14R1.422 C=C(C)COC/C=C/c1ccccc1 34a_100000210256_100000748629 [1,1,0,0,0,0|0,0,1]=3 2142 B14R1.422 C=C(C)COC/C=C/c1cccnc1 34a_200102594124_100000748629 [1,1,0,0,0,0|1,0,1]=4 2143 B14R1.422 C=C(C)CSC/C=C/c1ccccc1 62a_100000748629_100016265936 [1,1,0,0,0,0|0,1,1]=4 2144 B14R1.422 C=C(C)CSC/C=C/c1ccccc1 62a_100016265936_100000211660 [1,1,0,0,0,0|0,1,1]=4 2145 B14R1.422 C=C(F)CNC/C=C/c1ccccc1 2230a_100020603302_100009893438 [1,1,0,0,0,0|1,0,1]=4 2146 B14R1.422 C=C(F)CNC/C=C/c1ccccc1 34a_100020603302_100009893438 [1,1,0,0,0,0|1,0,1]=4 2147 B14R1.422 C=C(F)COC/C=C/c1ccccc1 34a_100000210256_100009893438 [1,1,0,0,0,0|0,0,1]=3 2148 B14R1.422 C=C(F)COC/C=C/c1ccccc1 34a_200010262243_100016265936 [1,1,0,0,0,0|0,0,1]=3 2149 B14R1.422 C=C(F)COC/C=C/c1cccnc1 34a_200102594124_100009893438 [1,1,0,0,0,0|1,0,1]=4 2150 B14R1.422 C=C(F)CSC/C=C/c1ccccc1 62a_100000042424_100016265936 [1,1,0,0,0,0|0,1,1]=4 2151 B14R1.422 C=C(F)CSC/C=C/c1ccccc1 62a_100016265936_100000042424 [1,1,0,0,0,0|0,1,1]=4 2152 B14R1.422 CC(=O)COC/C=C/c1ccccc1 34a_100000211253_100016265936 [1,1,0,0,0,0|0,0,2]=4 2153 B14R1.422 NC(=O)COC/C=C/c1ccccc1 34a_100000210256_100000187820 [1,1,0,0,0,0|1,0,1]=4 2154 B14R1.422 O=C([O-])COC/C=C/c1ccccc1 34a_100000210256_100020667443 [1,1,0,0,0,0|1,0,1]=4 2155 B14R1.520 C=CCC(=O)C/C=C/c1ccccc1 1458a_100000210193_100016265936 [1,1,0,0,0,0|1,0,1]=4 2156 B14R1.520 C=CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210623 [1,1,0,0,0,0|1,0,1]=4 2157 B14R1.520 C=CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210623 [1,1,0,0,0,0|2,0,0]=4 2158 B14R1.520 C=CCN(C)C/C=C/c1ccccc1 2230a_100000225617_100016265936 [1,1,0,0,0,0|1,0,1]=4 2159 B14R1.520 C=CCN(C)C/C=C/c1ccccc1 269982a_100000225617_100016265936 [1,1,0,0,0,0|1,0,1]=4 2160 B14R1.520 C=CCN(C)CC=Cc1ccccc1 270004a_100000225617_100000210105 [1,1,0,0,0,0|1,0,1]=4 2161 B14R1.716 C=CC(C)OC/C=C/c1ccccc1 34a_100000695699_100016265936 [1,1,0,0,0,0|0,0,1]=3 2162 B14R1.716 C=CC(C)SC/C=C/c1ccccc1 62a_100011215867_100016265936 [1,1,0,0,0,0|0,1,1]=4 2163 B14R1.882 C=CCNCC=Cc1ccccc1Br 270004a_100020586998_200016268969 [1,1,0,0,0,0|1,0,1]=4 2164 B14R1.882 C=CCNCC=Cc1ccccc1Cl 270004a_100020586998_200102525841 [1,1,0,0,0,0|1,0,1]=4 2165 B14R1.882 C=CCNCC=Cc1ccccc1F 270004a_100020586998_200102525844 [1,1,0,0,0,0|1,0,1]=4 2166 B14R1.29 C#CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000184674 [1,1,0,0,0,0|0,0,2]=4 2167 B14R1.29 C=CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210623 [1,1,0,0,0,0|0,0,0]=2 2168 B14R1.29 C=CCC(=O)CC(=O)c1ccccc1 1458a_100000210193_100000211460 [1,1,0,0,0,0|0,0,1]=3 2169 B14R1.29 C=CCC(=O)CC(=O)c1ccccn1 1458a_100000210193_100000027445 [1,1,0,0,0,0|1,0,1]=4 2170 B14R1.29 C=CCC(=O)CC(=O)c1cccnc1 1458a_100000210193_100015188593 [1,1,0,0,0,0|1,0,1]=4 2171 B14R1.29 C=CCC(=O)CC(=O)c1ccncc1 1458a_100000210193_100000027454 [1,1,0,0,0,0|1,0,1]=4 2172 B14R1.29 C=CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210623 [1,1,0,0,0,0|0,0,2]=4 2173 B14R1.29 C=CCC(=O)CC(C)c1ccccc1 1458a_100000210193_100000756946 [1,1,0,0,0,0|0,0,2]=4 2174 B14R1.29 C=CCC(=O)CC(O)c1ccccc1 1458a_100000210193_100000185958 [1,1,0,0,0,0|0,0,2]=4 2175 B14R1.29 C=CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210623 [1,1,0,0,0,0|0,0,2]=4 2176 B14R1.29 C=CCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210623 [1,1,0,0,0,0|1,0,1]=4 2177 B14R1.29 C=CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210193_100011933945 [1,1,0,0,0,0|0,0,2]=4 2178 B14R1.29 C=CCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210193 [1,1,0,0,0,0|1,0,1]=4 2179 B14R1.29 C=CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210193 [1,1,0,0,0,0|1,0,1]=4 2180 B14R1.29 C=CCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210193 [1,1,0,0,0,0|1,0,1]=4 2181 B14R1.29 C=CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210193 [1,1,0,0,0,0|1,0,1]=4 2182 B14R1.29 C=COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000036128 [1,1,0,0,0,0|0,0,1]=3 2183 B14R1.29 C=COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000036128 [1,1,0,0,0,0|1,0,1]=4 2184 B14R1.29 C=COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000036128 [1,1,0,0,0,0|1,0,1]=4 2185 B14R1.29 C=COC(=O)CN(C)c1ccccc1 34a_100000210012_100000036128 [1,1,0,0,0,0|1,0,1]=4 2186 B14R1.29 CC(=CC(=O)CC#N)c1ccccc1 1458a_100000743005_100011214920 [1,1,0,0,0,0|1,0,1]=4 2187 B14R1.29 CC(=CC(=O)CCF)c1ccccc1 1458a_100000743005_100011217306 [1,1,0,0,0,0|1,0,1]=4 2188 B14R1.29 CC(=CC(=O)CCO)c1ccccc1 1458a_100000743005_100000211926 [1,1,0,0,0,0|1,0,1]=4 2189 B14R1.29 CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210303 [1,1,0,0,0,0|0,0,2]=4 2190 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 11a_100015525214_100000743005 [1,1,0,0,0,0|1,0,1]=4 2191 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 240690a_100015525214_100000743005 [1,1,0,0,0,0|1,0,1]=4 2192 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 527a_100015525214_100000743005 [1,1,0,0,0,0|1,0,1]=4 2193 B14R1.29 CCOC(=O)/C=C(\C)/c1ccccc1 271570a_100050291487_100000210277 [1,1,0,0,0,0|0,0,1]=3 2194 B14R1.29 CCOC(=O)/C=C(\C)/c1ccccn1 271570a_100050291487_100011216584 [1,1,0,0,0,0|1,0,1]=4 2195 B14R1.29 CCOC(=O)/C=C(\C)/c1cccnc1 271570a_100050291487_100000752921 [1,1,0,0,0,0|1,0,1]=4 2196 B14R1.29 CCOC(=O)/C=C(\C)/c1ccncc1 271570a_100050291487_100000035832 [1,1,0,0,0,0|1,0,1]=4 2197 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000188475 [1,1,0,0,0,0|0,0,2]=4 2198 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000184674 [1,1,0,0,0,0|0,0,2]=4 2199 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000184674 [1,1,0,0,0,0|0,0,2]=4 2200 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000184674 [1,1,0,0,0,0|0,0,2]=4 2201 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000184674 [1,1,0,0,0,0|0,0,2]=4 2202 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000184674 [1,1,0,0,0,0|0,0,2]=4 2203 B14R1.32 C=CCC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_100000210623 [1,1,0,0,0,0|0,0,2]=4 2204 B14R1.32 C=CCC(=O)C#Cc1cccc(c1)C 1458a_100011892726_100000210623 [1,1,0,0,0,0|0,0,2]=4 2205 B14R1.32 C=CCC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_100000210623 [1,1,0,0,0,0|0,0,2]=4 2206 B14R1.32 C=CCC(=O)C#Cc1cccc(c1)F 1458a_100011892744_100000210623 [1,1,0,0,0,0|0,0,2]=4 2207 B14R1.32 C=CCC(=O)C#Cc1cccc(c1)O 1458a_200009909484_100000210623 [1,1,0,0,0,0|0,0,2]=4 2208 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210623 [1,1,0,0,0,0|0,0,0]=2 2209 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210623 [1,1,0,0,0,0|0,0,0]=2 2210 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210623 [1,1,0,0,0,0|0,0,0]=2 2211 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210623 [1,1,0,0,0,0|0,0,0]=2 2212 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210623 [1,1,0,0,0,0|0,0,0]=2 2213 B14R1.32 C=CCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210623 [1,1,0,0,0,0|0,0,2]=4 2214 B14R1.32 C=CCC(=O)CCc1cccc(c1)Br 1458a_100000210193_100011740638 [1,1,0,0,0,0|0,0,2]=4 2215 B14R1.32 C=CCC(=O)CCc1cccc(c1)C 1458a_100000210193_100011713685 [1,1,0,0,0,0|0,0,2]=4 2216 B14R1.32 C=CCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210623 [1,1,0,0,0,0|0,0,2]=4 2217 B14R1.32 C=CCC(=O)CCc1cccc(c1)Cl 1458a_100000210193_100011713710 [1,1,0,0,0,0|0,0,2]=4 2218 B14R1.32 C=CCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210623 [1,1,0,0,0,0|0,0,2]=4 2219 B14R1.32 C=CCC(=O)CCc1cccc(c1)F 1458a_100000210193_100011217235 [1,1,0,0,0,0|0,0,2]=4 2220 B14R1.32 C=CCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210623 [1,1,0,0,0,0|0,0,2]=4 2221 B14R1.32 C=CCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210623 [1,1,0,0,0,0|0,0,2]=4 2222 B14R1.32 C=CCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210623 [1,1,0,0,0,0|0,0,2]=4 2223 B14R1.32 C=CCC(=O)COc1cccc(c1)Br 1458a_100000182359_100000210623 [1,1,0,0,0,0|1,0,1]=4 2224 B14R1.32 C=CCC(=O)COc1cccc(c1)C 1458a_100000183606_100000210623 [1,1,0,0,0,0|1,0,1]=4 2225 B14R1.32 C=CCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100000210623 [1,1,0,0,0,0|1,0,1]=4 2226 B14R1.32 C=CCC(=O)COc1cccc(c1)F 1458a_100000182781_100000210623 [1,1,0,0,0,0|1,0,1]=4 2227 B14R1.32 C=CCC(=O)CSc1cccc(c1)Br 1458a_100000760868_100000210623 [1,1,0,0,0,0|1,0,1]=4 2228 B14R1.32 C=CCC(=O)NCc1cccc(c1)Br 11a_100000174977_100000210193 [1,1,0,0,0,0|1,0,1]=4 2229 B14R1.32 C=CCC(=O)NCc1cccc(c1)Br 1626a_100000174977_100000210193 [1,1,0,0,0,0|1,0,1]=4 2230 B14R1.32 C=CCC(=O)NCc1cccc(c1)Br 240690a_100000174977_100000210193 [1,1,0,0,0,0|1,0,1]=4 2231 B14R1.32 C=CCC(=O)NCc1cccc(c1)Br 527a_100000174977_100000210193 [1,1,0,0,0,0|1,0,1]=4 2232 B14R1.32 C=CCC(=O)NCc1cccc(c1)C 11a_100000185548_100000210193 [1,1,0,0,0,0|1,0,1]=4 2233 B14R1.32 C=CCC(=O)NCc1cccc(c1)C 1626a_100000185548_100000210193 [1,1,0,0,0,0|1,0,1]=4 2234 B14R1.32 C=CCC(=O)NCc1cccc(c1)C 240690a_100000185548_100000210193 [1,1,0,0,0,0|1,0,1]=4 2235 B14R1.32 C=CCC(=O)NCc1cccc(c1)C 527a_100000185548_100000210193 [1,1,0,0,0,0|1,0,1]=4 2236 B14R1.32 C=CCC(=O)NCc1cccc(c1)Cl 11a_100000174878_100000210193 [1,1,0,0,0,0|1,0,1]=4 2237 B14R1.32 C=CCC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100000210193 [1,1,0,0,0,0|1,0,1]=4 2238 B14R1.32 C=CCC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100000210193 [1,1,0,0,0,0|1,0,1]=4 2239 B14R1.32 C=CCC(=O)NCc1cccc(c1)Cl 527a_100000174878_100000210193 [1,1,0,0,0,0|1,0,1]=4 2240 B14R1.32 C=CCC(=O)NCc1cccc(c1)F 11a_100000174948_100000210193 [1,1,0,0,0,0|1,0,1]=4 2241 B14R1.32 C=CCC(=O)NCc1cccc(c1)F 1626a_100000174948_100000210193 [1,1,0,0,0,0|1,0,1]=4 2242 B14R1.32 C=CCC(=O)NCc1cccc(c1)F 240690a_100000174948_100000210193 [1,1,0,0,0,0|1,0,1]=4 2243 B14R1.32 C=CCC(=O)NCc1cccc(c1)F 527a_100000174948_100000210193 [1,1,0,0,0,0|1,0,1]=4 2244 B14R1.32 C=CCC(=O)NCc1cccc(c1)I 11a_100000106179_100000210193 [1,1,0,0,0,0|1,0,1]=4 2245 B14R1.32 C=CCC(=O)NCc1cccc(c1)I 1626a_100000106179_100000210193 [1,1,0,0,0,0|1,0,1]=4 2246 B14R1.32 C=CCC(=O)NCc1cccc(c1)I 240690a_100000106179_100000210193 [1,1,0,0,0,0|1,0,1]=4 2247 B14R1.32 C=CCC(=O)NCc1cccc(c1)I 527a_100000106179_100000210193 [1,1,0,0,0,0|1,0,1]=4 2248 B14R1.32 C=CCC(=O)NCc1cccc(c1)O 240690a_100000743036_100000210193 [1,1,0,0,0,0|1,0,1]=4 2249 B14R1.32 C=CCC(=O)NCc1cccc(c1)O 527a_100000743036_100000210193 [1,1,0,0,0,0|1,0,1]=4 2250 B14R1.32 C=CCC(=O)NNc1cccc(c1)Br 22a_100000217339_100000210193 [1,1,0,0,0,0|2,0,0]=4 2251 B14R1.32 C=CCC(=O)NNc1cccc(c1)C 22a_100000681630_100000210193 [1,1,0,0,0,0|2,0,0]=4 2252 B14R1.32 C=CCC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000210193 [1,1,0,0,0,0|2,0,0]=4 2253 B14R1.32 C=CCC(=O)NNc1cccc(c1)F 22a_100000745080_100000210193 [1,1,0,0,0,0|2,0,0]=4 2254 B14R1.32 C=CCC(=O)NNc1cccc(c1)I 22a_100020605690_100000210193 [1,1,0,0,0,0|2,0,0]=4 2255 B14R1.32 C=COC(=O)CNc1cccc(c1)Br 34a_100000210019_100000036128 [1,1,0,0,0,0|1,0,1]=4 2256 B14R1.32 C=COC(=O)CNc1cccc(c1)C 2230a_100000188690_100000036128 [1,1,0,0,0,0|1,0,1]=4 2257 B14R1.32 C=COC(=O)CNc1cccc(c1)C 34a_100000188690_100000036128 [1,1,0,0,0,0|1,0,1]=4 2258 B14R1.32 C=COC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000036128 [1,1,0,0,0,0|1,0,1]=4 2259 B14R1.32 C=COC(=O)CNc1cccc(c1)F 34a_100000210047_100000036128 [1,1,0,0,0,0|1,0,1]=4 2260 B14R1.32 C=COC(=O)CNc1cccc(c1)I 34a_100000211102_100000036128 [1,1,0,0,0,0|1,0,1]=4 2261 B14R1.32 C=COC(=O)CNc1cccc(c1)O 34a_100000210217_100000036128 [1,1,0,0,0,0|1,0,1]=4 2262 B14R1.32 C=COC(=O)COc1cccc(c1)Br 34a_100000210342_100000036128 [1,1,0,0,0,0|1,0,1]=4 2263 B14R1.32 C=COC(=O)COc1cccc(c1)C 34a_100000210337_100000036128 [1,1,0,0,0,0|1,0,1]=4 2264 B14R1.32 C=COC(=O)COc1cccc(c1)Cl 34a_100000210295_100000036128 [1,1,0,0,0,0|1,0,1]=4 2265 B14R1.32 C=COC(=O)COc1cccc(c1)F 34a_100000210426_100000036128 [1,1,0,0,0,0|1,0,1]=4 2266 B14R1.32 C=COC(=O)COc1cccc(c1)I 34a_100000211634_100000036128 [1,1,0,0,0,0|1,0,1]=4 2267 B14R1.32 C=COC(=O)COc1cccc(c1)N 34a_100000210217_100000036128 [1,1,0,0,0,0|1,0,1]=4 2268 B14R1.32 C=COC(=O)CSc1cccc(c1)Br 62a_100000036128_100000691529 [1,1,0,0,0,0|1,0,1]=4 2269 B14R1.32 C=COC(=O)CSc1cccc(c1)Br 62a_100000691529_100000036128 [1,1,0,0,0,0|1,0,1]=4 2270 B14R1.32 C=COC(=O)CSc1cccc(c1)C 62a_100000036128_100011215228 [1,1,0,0,0,0|1,0,1]=4 2271 B14R1.32 C=COC(=O)CSc1cccc(c1)C 62a_100011215228_100000036128 [1,1,0,0,0,0|1,0,1]=4 2272 B14R1.32 C=COC(=O)CSc1cccc(c1)Cl 62a_100000036128_100000699651 [1,1,0,0,0,0|1,0,1]=4 2273 B14R1.32 C=COC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000036128 [1,1,0,0,0,0|1,0,1]=4 2274 B14R1.32 C=COC(=O)CSc1cccc(c1)F 62a_100000036128_100000685547 [1,1,0,0,0,0|1,0,1]=4 2275 B14R1.32 C=COC(=O)CSc1cccc(c1)F 62a_100000685547_100000036128 [1,1,0,0,0,0|1,0,1]=4 2276 B14R1.32 C=COC(=O)CSc1cccc(c1)N 62a_100000036128_100000210019 [1,1,0,0,0,0|1,0,1]=4 2277 B14R1.32 C=COC(=O)CSc1cccc(c1)N 62a_100000210019_100000036128 [1,1,0,0,0,0|1,0,1]=4 2278 B14R1.32 C=COC(=O)CSc1cccc(c1)O 62a_100000036128_100000211634 [1,1,0,0,0,0|1,0,1]=4 2279 B14R1.32 C=COC(=O)CSc1cccc(c1)[S] 62a_100000036128_114929384022 [1,1,0,0,0,0|1,0,1]=4 2280 B14R1.32 C=COC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000036128 [1,1,0,0,0,0|1,0,1]=4 2281 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210303 [1,1,0,0,0,0|0,0,2]=4 2282 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011215381 [1,1,0,0,0,0|0,0,2]=4 2283 B14R1.32 CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210303 [1,1,0,0,0,0|0,0,2]=4 2284 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210303 [1,1,0,0,0,0|0,0,2]=4 2285 B14R1.32 CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210303 [1,1,0,0,0,0|0,0,2]=4 2286 B14R1.32 CCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011215381 [1,1,0,0,0,0|0,0,2]=4 2287 B14R1.32 CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210303 [1,1,0,0,0,0|0,0,2]=4 2288 B14R1.32 CCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011215381 [1,1,0,0,0,0|0,0,2]=4 2289 B14R1.32 CCNC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266304 [1,1,0,0,0,0|1,0,1]=4 2290 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Br 11a_100015525214_100016258244 [1,1,0,0,0,0|1,0,1]=4 2291 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Br 240690a_100015525214_100016258244 [1,1,0,0,0,0|1,0,1]=4 2292 B14R1.32 CCNC(=O)C=Cc1cccc(c1)C 11a_100015525214_100000690095 [1,1,0,0,0,0|1,0,1]=4 2293 B14R1.32 CCNC(=O)C=Cc1cccc(c1)C 240690a_100015525214_100000690095 [1,1,0,0,0,0|1,0,1]=4 2294 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl 11a_100015525214_100000184502 [1,1,0,0,0,0|1,0,1]=4 2295 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100015525214_100000184502 [1,1,0,0,0,0|1,0,1]=4 2296 B14R1.32 CCNC(=O)C=Cc1cccc(c1)F 11a_100015525214_100000718793 [1,1,0,0,0,0|1,0,1]=4 2297 B14R1.32 CCNC(=O)C=Cc1cccc(c1)F 240690a_100015525214_100000718793 [1,1,0,0,0,0|1,0,1]=4 2298 B14R1.32 CCNC(=O)C=Cc1cccc(c1)I 11a_100015525214_100020647043 [1,1,0,0,0,0|1,0,1]=4 2299 B14R1.32 CCNC(=O)C=Cc1cccc(c1)I 240690a_100015525214_100020647043 [1,1,0,0,0,0|1,0,1]=4 2300 B14R1.32 CCOC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016304034 [1,1,0,0,0,0|0,0,1]=3 2301 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)C 271570a_100010199719_100000750283 [1,1,0,0,0,0|1,0,1]=4 2302 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)Cl 271570a_100010199719_100010167805 [1,1,0,0,0,0|1,0,1]=4 2303 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)F 271570a_100010199719_100009817058 [1,1,0,0,0,0|1,0,1]=4 2304 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)N 271570a_100010199719_100009814236 [1,1,0,0,0,0|1,0,1]=4 2305 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)O 271570a_100010199719_100000762945 [1,1,0,0,0,0|1,0,1]=4 2306 B14R1.32 CCOC(=O)C=Cc1cc[nH]c(=O)c1 271570a_100010199719_100009816521 [1,1,0,0,0,0|1,0,1]=4 2307 B14R1.32 CCOC(=O)C=Cc1ccc[n+](c1)C 271570a_100010199719_100009996589 [1,1,0,0,0,0|1,0,1]=4 2308 B14R1.32 CCOC(=O)C=Cc1ccc[n+](c1)[O-] 271570a_100010199719_100009815978 [1,1,0,0,0,0|1,0,1]=4 2309 B14R1.32 CCOC(=O)C=Cc1cccc(=O)[nH]1 271570a_100010199719_100000761760 [1,1,0,0,0,0|1,0,1]=4 2310 B14R1.32 CCOC(=O)C=Cc1cccc(c1)Br 271570a_100010199719_100000691529 [1,1,0,0,0,0|0,0,1]=3 2311 B14R1.32 CCOC(=O)C=Cc1cccc(c1)C 271570a_100010199719_100011215228 [1,1,0,0,0,0|0,0,1]=3 2312 B14R1.32 CCOC(=O)C=Cc1cccc(c1)Cl 271570a_100010199719_100000699651 [1,1,0,0,0,0|0,0,1]=3 2313 B14R1.32 CCOC(=O)C=Cc1cccc(c1)F 271570a_100010199719_100000685547 [1,1,0,0,0,0|0,0,1]=3 2314 B14R1.32 CCOC(=O)C=Cc1cccc(c1)N 271570a_100010199719_100000210019 [1,1,0,0,0,0|0,0,1]=3 2315 B14R1.32 CCOC(=O)C=Cc1cccc(c1)O 271570a_100010199719_100000211634 [1,1,0,0,0,0|0,0,1]=3 2316 B14R1.32 CCOC(=O)C=Cc1cccc(c1)[S] 271570a_100010199719_114929384022 [1,1,0,0,0,0|0,0,1]=3 2317 B14R1.32 CCOC(=O)C=Cc1cccc(n1)Br 271570a_100010199719_100000684672 [1,1,0,0,0,0|1,0,1]=4 2318 B14R1.32 CCOC(=O)C=Cc1cccc(n1)C 271570a_100010199719_100000742759 [1,1,0,0,0,0|1,0,1]=4 2319 B14R1.32 CCOC(=O)C=Cc1cccc(n1)F 271570a_100010199719_100009815982 [1,1,0,0,0,0|1,0,1]=4 2320 B14R1.32 CCOC(=O)C=Cc1cccc(n1)N 271570a_100010199719_100000740741 [1,1,0,0,0,0|1,0,1]=4 2321 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)Br 271570a_100010199719_100009814637 [1,1,0,0,0,0|1,0,1]=4 2322 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)C 271570a_100010199719_100000758586 [1,1,0,0,0,0|1,0,1]=4 2323 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)Cl 271570a_100010199719_100000035001 [1,1,0,0,0,0|1,0,1]=4 2324 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)F 271570a_100010199719_100009816116 [1,1,0,0,0,0|1,0,1]=4 2325 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)N 271570a_100010199719_100000744379 [1,1,0,0,0,0|1,0,1]=4 2326 B14R1.32 CCOC(=O)C=Cc1cncc(c1)Br 271570a_100010199719_100000728054 [1,1,0,0,0,0|1,0,1]=4 2327 B14R1.32 CCOC(=O)C=Cc1cncc(c1)C 271570a_100010199719_100000760492 [1,1,0,0,0,0|1,0,1]=4 2328 B14R1.32 CCOC(=O)C=Cc1cncc(c1)Cl 271570a_100010199719_100000049639 [1,1,0,0,0,0|1,0,1]=4 2329 B14R1.32 CCOC(=O)C=Cc1cncc(c1)F 271570a_100010199719_100000744099 [1,1,0,0,0,0|1,0,1]=4 2330 B14R1.32 CCOC(=O)C=Cc1cncc(c1)N 271570a_100010199719_100000687067 [1,1,0,0,0,0|1,0,1]=4 2331 B14R1.32 CCOC(=O)C=Cc1cncc(c1)O 271570a_100010199719_100000754920 [1,1,0,0,0,0|1,0,1]=4 2332 B14R1.32 COCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000211753 [1,1,0,0,0,0|1,0,1]=4 2333 B14R1.32 COCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000211753 [1,1,0,0,0,0|1,0,1]=4 2334 B14R1.32 COCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000211753 [1,1,0,0,0,0|1,0,1]=4 2335 B14R1.32 CSCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011216314 [1,1,0,0,0,0|1,0,1]=4 2336 B14R1.32 CSCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011216314 [1,1,0,0,0,0|1,0,1]=4 2337 B14R1.32 CSCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011216314 [1,1,0,0,0,0|1,0,1]=4 2338 B14R1.32 Cc1cccc(c1)C=CC(=O)CC#N 1458a_100000690095_100011214920 [1,1,0,0,0,0|1,0,1]=4 2339 B14R1.32 Cc1cccc(c1)C=CC(=O)CCF 1458a_100000690095_100011217306 [1,1,0,0,0,0|1,0,1]=4 2340 B14R1.32 Cc1cccc(c1)C=CC(=O)CCO 1458a_100000690095_100000211926 [1,1,0,0,0,0|1,0,1]=4 2341 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011214920 [1,1,0,0,0,0|1,0,1]=4 2342 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000184835 [1,1,0,0,0,0|1,0,1]=4 2343 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011214920 [1,1,0,0,0,0|1,0,1]=4 2344 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011214920 [1,1,0,0,0,0|1,0,1]=4 2345 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000184835 [1,1,0,0,0,0|1,0,1]=4 2346 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011214920 [1,1,0,0,0,0|1,0,1]=4 2347 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000184835 [1,1,0,0,0,0|1,0,1]=4 2348 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCBr 6a_100000210085_100011261029 [1,1,0,0,0,0|1,0,1]=4 2349 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCCl 6a_100000210085_100000053229 [1,1,0,0,0,0|1,0,1]=4 2350 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCF 1458a_100016258244_100011217306 [1,1,0,0,0,0|1,0,1]=4 2351 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCO 1458a_100016258244_100000211926 [1,1,0,0,0,0|1,0,1]=4 2352 B14R1.32 O=C(C=Cc1cccc(c1)Cl)CCF 1458a_100000184502_100011217306 [1,1,0,0,0,0|1,0,1]=4 2353 B14R1.32 O=C(C=Cc1cccc(c1)Cl)CCO 1458a_100000184502_100000211926 [1,1,0,0,0,0|1,0,1]=4 2354 B14R1.32 O=C(C=Cc1cccc(c1)F)CCBr 6a_100000210812_100011261029 [1,1,0,0,0,0|1,0,1]=4 2355 B14R1.32 O=C(C=Cc1cccc(c1)F)CCCl 6a_100000210812_100000053229 [1,1,0,0,0,0|1,0,1]=4 2356 B14R1.32 O=C(C=Cc1cccc(c1)F)CCF 1458a_100000718793_100011217306 [1,1,0,0,0,0|1,0,1]=4 2357 B14R1.32 O=C(C=Cc1cccc(c1)F)CCO 1458a_100000718793_100000211926 [1,1,0,0,0,0|1,0,1]=4 2358 B14R1.32 O=C(C=Cc1cccc(c1)I)CCBr 6a_100000014684_100011261029 [1,1,0,0,0,0|1,0,1]=4 2359 B14R1.32 O=C(C=Cc1cccc(c1)I)CCCl 6a_100000014684_100000053229 [1,1,0,0,0,0|1,0,1]=4 2360 B14R1.32 O=C(C=Cc1cccc(c1)I)CCF 1458a_100020647043_100011217306 [1,1,0,0,0,0|1,0,1]=4 2361 B14R1.32 O=C(C=Cc1cccc(c1)I)CCO 1458a_100020647043_100000211926 [1,1,0,0,0,0|1,0,1]=4 2362 B14R1.60 C#CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000184674 [1,1,0,0,0,0|0,0,2]=4 2363 B14R1.60 C#CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000184674 [1,1,0,0,0,0|0,0,2]=4 2364 B14R1.60 C#CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000184674 [1,1,0,0,0,0|0,0,2]=4 2365 B14R1.60 C/C(=C\c1ccccc1)/C(=O)CC#N 1458a_100016990649_100011214920 [1,1,0,0,0,0|1,0,1]=4 2366 B14R1.60 C/C(=C\c1ccccc1)/C(=O)CCF 1458a_100016990649_100011217306 [1,1,0,0,0,0|1,0,1]=4 2367 B14R1.60 C/C(=C\c1ccccc1)/C(=O)CCO 1458a_100016990649_100000211926 [1,1,0,0,0,0|1,0,1]=4 2368 B14R1.60 C=CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210623 [1,1,0,0,0,0|0,0,0]=2 2369 B14R1.60 C=CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210623 [1,1,0,0,0,0|0,0,0]=2 2370 B14R1.60 C=CCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210623 [1,1,0,0,0,0|1,0,0]=3 2371 B14R1.60 C=CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210623 [1,1,0,0,0,0|0,0,0]=2 2372 B14R1.60 C=CCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210623 [1,1,0,0,0,0|1,0,0]=3 2373 B14R1.60 C=CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210623 [1,1,0,0,0,0|1,0,0]=3 2374 B14R1.60 C=CCC(=O)C(C)Cc1ccccc1 1458a_100000210193_200011218536 [1,1,0,0,0,0|0,0,2]=4 2375 B14R1.60 C=CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210623 [1,1,0,0,0,0|0,0,2]=4 2376 B14R1.60 C=CCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210623 [1,1,0,0,0,0|1,0,1]=4 2377 B14R1.60 C=CCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210623 [1,1,0,0,0,0|1,0,1]=4 2378 B14R1.60 C=CCC(=O)N(C)Cc1ccccc1 11a_100000186898_100000210193 [1,1,0,0,0,0|1,0,1]=4 2379 B14R1.60 C=CCC(=O)N(C)Cc1ccccc1 1626a_100000186898_100000210193 [1,1,0,0,0,0|1,0,1]=4 2380 B14R1.60 C=CCC(=O)N(C)Cc1ccccc1 240690a_100000186898_100000210193 [1,1,0,0,0,0|1,0,1]=4 2381 B14R1.60 C=CCC(=O)N(C)Cc1ccccc1 527a_100000186898_100000210193 [1,1,0,0,0,0|1,0,1]=4 2382 B14R1.60 C=CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210623 [1,1,0,0,0,0|0,0,2]=4 2383 B14R1.60 CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210303 [1,1,0,0,0,0|0,0,2]=4 2384 B14R1.60 CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210303 [1,1,0,0,0,0|0,0,2]=4 2385 B14R1.60 CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210303 [1,1,0,0,0,0|0,0,2]=4 2386 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/C 11a_100015525214_100016990649 [1,1,0,0,0,0|1,0,1]=4 2387 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/C 527a_100015525214_100016990649 [1,1,0,0,0,0|1,0,1]=4 2388 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100015525214_200020598536 [1,1,0,0,0,0|1,0,1]=4 2389 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100015525214_200020598536 [1,1,0,0,0,0|1,0,1]=4 2390 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100015525214_200020598536 [1,1,0,0,0,0|1,0,1]=4 2391 B14R1.60 CCNC(=O)/C(=C\c1ccccc1)/F 11a_100015525214_100020889036 [1,1,0,0,0,0|1,0,1]=4 2392 B14R1.60 CCNC(=O)/C(=C\c1ccccc1)/F 527a_100015525214_100020889036 [1,1,0,0,0,0|1,0,1]=4 2393 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 11a_100000106764_100014798877 [1,1,0,0,0,0|1,0,1]=4 2394 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100014798877 [1,1,0,0,0,0|1,0,1]=4 2395 B14R1.60 N#CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011214920 [1,1,0,0,0,0|1,0,1]=4 2396 B14R1.60 N#CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011214920 [1,1,0,0,0,0|1,0,1]=4 2397 B14R1.60 O=C(CCF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011217306 [1,1,0,0,0,0|1,0,1]=4 2398 B14R1.60 O=C(CCF)/C(=C\c1ccccc1)/F 1458a_100020889036_100011217306 [1,1,0,0,0,0|1,0,1]=4 2399 B14R1.60 O=C(CCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000211926 [1,1,0,0,0,0|1,0,1]=4 2400 B14R1.60 O=C(CCO)/C(=C\c1ccccc1)/F 1458a_100020889036_100000211926 [1,1,0,0,0,0|1,0,1]=4 2401 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000184674 [1,1,0,0,0,0|0,0,2]=4 2402 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000184674 [1,1,0,0,0,0|0,0,2]=4 2403 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000184674 [1,1,0,0,0,0|0,0,2]=4 2404 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000184674 [1,1,0,0,0,0|0,0,2]=4 2405 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000184674 [1,1,0,0,0,0|0,0,2]=4 2406 B14R1.502 C=CCC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_100000210623 [1,1,0,0,0,0|0,0,2]=4 2407 B14R1.502 C=CCC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_100000210623 [1,1,0,0,0,0|0,0,2]=4 2408 B14R1.502 C=CCC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_100000210623 [1,1,0,0,0,0|0,0,2]=4 2409 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210623 [1,1,0,0,0,0|0,0,0]=2 2410 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210623 [1,1,0,0,0,0|0,0,0]=2 2411 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210623 [1,1,0,0,0,0|0,0,0]=2 2412 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210623 [1,1,0,0,0,0|0,0,0]=2 2413 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210623 [1,1,0,0,0,0|0,0,0]=2 2414 B14R1.502 C=CCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210623 [1,1,0,0,0,0|1,0,0]=3 2415 B14R1.502 C=CCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210623 [1,1,0,0,0,0|1,0,0]=3 2416 B14R1.502 C=CCC(=O)CCc1ccc(cc1)Br 1458a_100000210193_100011740612 [1,1,0,0,0,0|0,0,2]=4 2417 B14R1.502 C=CCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210623 [1,1,0,0,0,0|0,0,2]=4 2418 B14R1.502 C=CCC(=O)CCc1ccc(cc1)C 1458a_100000210193_100011713686 [1,1,0,0,0,0|0,0,2]=4 2419 B14R1.502 C=CCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210623 [1,1,0,0,0,0|0,0,2]=4 2420 B14R1.502 C=CCC(=O)CCc1ccc(cc1)Cl 1458a_100000210193_100011713675 [1,1,0,0,0,0|0,0,2]=4 2421 B14R1.502 C=CCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210623 [1,1,0,0,0,0|0,0,2]=4 2422 B14R1.502 C=CCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210623 [1,1,0,0,0,0|0,0,2]=4 2423 B14R1.502 C=CCC(=O)CCc1ccc(cc1)F 1458a_100000210193_100011217392 [1,1,0,0,0,0|0,0,2]=4 2424 B14R1.502 C=CCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210623 [1,1,0,0,0,0|0,0,2]=4 2425 B14R1.502 C=CCC(=O)CCc1ccc(cc1)O 1458a_100000210193_100009816426 [1,1,0,0,0,0|0,0,2]=4 2426 B14R1.502 C=CCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210623 [1,1,0,0,0,0|0,0,2]=4 2427 B14R1.502 C=CCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210623 [1,1,0,0,0,0|1,0,1]=4 2428 B14R1.502 C=CCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000210623 [1,1,0,0,0,0|1,0,1]=4 2429 B14R1.502 C=CCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210623 [1,1,0,0,0,0|1,0,1]=4 2430 B14R1.502 C=CCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210623 [1,1,0,0,0,0|1,0,1]=4 2431 B14R1.502 C=CCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210623 [1,1,0,0,0,0|1,0,1]=4 2432 B14R1.502 C=CCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210623 [1,1,0,0,0,0|1,0,1]=4 2433 B14R1.502 C=CCC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100000210623 [1,1,0,0,0,0|1,0,1]=4 2434 B14R1.502 C=CCC(=O)CSc1ccc(cc1)C 1458a_100000179497_100000210623 [1,1,0,0,0,0|1,0,1]=4 2435 B14R1.502 C=CCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000210623 [1,1,0,0,0,0|1,0,1]=4 2436 B14R1.502 C=CCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100000210623 [1,1,0,0,0,0|1,0,1]=4 2437 B14R1.502 C=CCC(=O)NCc1ccc(cc1)Br 11a_100000174875_100000210193 [1,1,0,0,0,0|1,0,1]=4 2438 B14R1.502 C=CCC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100000210193 [1,1,0,0,0,0|1,0,1]=4 2439 B14R1.502 C=CCC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100000210193 [1,1,0,0,0,0|1,0,1]=4 2440 B14R1.502 C=CCC(=O)NCc1ccc(cc1)Br 527a_100000174875_100000210193 [1,1,0,0,0,0|1,0,1]=4 2441 B14R1.502 C=CCC(=O)NCc1ccc(cc1)C 11a_100000174908_100000210193 [1,1,0,0,0,0|1,0,1]=4 2442 B14R1.502 C=CCC(=O)NCc1ccc(cc1)C 1626a_100000174908_100000210193 [1,1,0,0,0,0|1,0,1]=4 2443 B14R1.502 C=CCC(=O)NCc1ccc(cc1)C 240690a_100000174908_100000210193 [1,1,0,0,0,0|1,0,1]=4 2444 B14R1.502 C=CCC(=O)NCc1ccc(cc1)C 527a_100000174908_100000210193 [1,1,0,0,0,0|1,0,1]=4 2445 B14R1.502 C=CCC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100000210193 [1,1,0,0,0,0|1,0,1]=4 2446 B14R1.502 C=CCC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100000210193 [1,1,0,0,0,0|1,0,1]=4 2447 B14R1.502 C=CCC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100000210193 [1,1,0,0,0,0|1,0,1]=4 2448 B14R1.502 C=CCC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100000210193 [1,1,0,0,0,0|1,0,1]=4 2449 B14R1.502 C=CCC(=O)NCc1ccc(cc1)F 11a_100000174882_100000210193 [1,1,0,0,0,0|1,0,1]=4 2450 B14R1.502 C=CCC(=O)NCc1ccc(cc1)F 1626a_100000174882_100000210193 [1,1,0,0,0,0|1,0,1]=4 2451 B14R1.502 C=CCC(=O)NCc1ccc(cc1)F 240690a_100000174882_100000210193 [1,1,0,0,0,0|1,0,1]=4 2452 B14R1.502 C=CCC(=O)NCc1ccc(cc1)F 527a_100000174882_100000210193 [1,1,0,0,0,0|1,0,1]=4 2453 B14R1.502 C=CCC(=O)NCc1ccc(cc1)I 11a_100016989417_100000210193 [1,1,0,0,0,0|1,0,1]=4 2454 B14R1.502 C=CCC(=O)NCc1ccc(cc1)I 1626a_100016989417_100000210193 [1,1,0,0,0,0|1,0,1]=4 2455 B14R1.502 C=CCC(=O)NCc1ccc(cc1)I 240690a_100016989417_100000210193 [1,1,0,0,0,0|1,0,1]=4 2456 B14R1.502 C=CCC(=O)NCc1ccc(cc1)I 527a_100016989417_100000210193 [1,1,0,0,0,0|1,0,1]=4 2457 B14R1.502 C=CCC(=O)NCc1ccc(cc1)O 240690a_100000185549_100000210193 [1,1,0,0,0,0|1,0,1]=4 2458 B14R1.502 C=CCC(=O)NCc1ccc(cc1)O 527a_100000185549_100000210193 [1,1,0,0,0,0|1,0,1]=4 2459 B14R1.502 C=CCC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000210193 [1,1,0,0,0,0|2,0,0]=4 2460 B14R1.502 C=CCC(=O)NNc1ccc(cc1)C 22a_100000683527_100000210193 [1,1,0,0,0,0|2,0,0]=4 2461 B14R1.502 C=CCC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000210193 [1,1,0,0,0,0|2,0,0]=4 2462 B14R1.502 C=CCC(=O)NNc1ccc(cc1)F 22a_100000728448_100000210193 [1,1,0,0,0,0|2,0,0]=4 2463 B14R1.502 C=CCC(=O)NNc1ccc(cc1)I 22a_100016988836_100000210193 [1,1,0,0,0,0|2,0,0]=4 2464 B14R1.502 C=COC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000036128 [1,1,0,0,0,0|1,0,1]=4 2465 B14R1.502 C=COC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000036128 [1,1,0,0,0,0|1,0,1]=4 2466 B14R1.502 C=COC(=O)CNc1ccc(cc1)C 34a_100000124888_100000036128 [1,1,0,0,0,0|1,0,1]=4 2467 B14R1.502 C=COC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000036128 [1,1,0,0,0,0|1,0,1]=4 2468 B14R1.502 C=COC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000036128 [1,1,0,0,0,0|1,0,1]=4 2469 B14R1.502 C=COC(=O)CNc1ccc(cc1)F 34a_100000185862_100000036128 [1,1,0,0,0,0|1,0,1]=4 2470 B14R1.502 C=COC(=O)CNc1ccc(cc1)I 34a_100000185761_100000036128 [1,1,0,0,0,0|1,0,1]=4 2471 B14R1.502 C=COC(=O)CNc1ccc(cc1)O 34a_100000185829_100000036128 [1,1,0,0,0,0|1,0,1]=4 2472 B14R1.502 C=COC(=O)COc1ccc(cc1)Br 34a_100000185759_100000036128 [1,1,0,0,0,0|1,0,1]=4 2473 B14R1.502 C=COC(=O)COc1ccc(cc1)C 34a_100000210336_100000036128 [1,1,0,0,0,0|1,0,1]=4 2474 B14R1.502 C=COC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000036128 [1,1,0,0,0,0|1,0,1]=4 2475 B14R1.502 C=COC(=O)COc1ccc(cc1)F 34a_100000210339_100000036128 [1,1,0,0,0,0|1,0,1]=4 2476 B14R1.502 C=COC(=O)COc1ccc(cc1)I 34a_100000212066_100000036128 [1,1,0,0,0,0|1,0,1]=4 2477 B14R1.502 C=COC(=O)COc1ccc(cc1)N 34a_100000185829_100000036128 [1,1,0,0,0,0|1,0,1]=4 2478 B14R1.502 C=COC(=O)CSc1ccc(cc1)Br 62a_100000036128_100000752885 [1,1,0,0,0,0|1,0,1]=4 2479 B14R1.502 C=COC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000036128 [1,1,0,0,0,0|1,0,1]=4 2480 B14R1.502 C=COC(=O)CSc1ccc(cc1)C 62a_100000036128_100000186775 [1,1,0,0,0,0|1,0,1]=4 2481 B14R1.502 C=COC(=O)CSc1ccc(cc1)C 62a_100000186775_100000036128 [1,1,0,0,0,0|1,0,1]=4 2482 B14R1.502 C=COC(=O)CSc1ccc(cc1)Cl 62a_100000036128_100000755918 [1,1,0,0,0,0|1,0,1]=4 2483 B14R1.502 C=COC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000036128 [1,1,0,0,0,0|1,0,1]=4 2484 B14R1.502 C=COC(=O)CSc1ccc(cc1)F 62a_100000036128_100000211213 [1,1,0,0,0,0|1,0,1]=4 2485 B14R1.502 C=COC(=O)CSc1ccc(cc1)F 62a_100000211213_100000036128 [1,1,0,0,0,0|1,0,1]=4 2486 B14R1.502 C=COC(=O)CSc1ccc(cc1)N 62a_100000036128_100000185761 [1,1,0,0,0,0|1,0,1]=4 2487 B14R1.502 C=COC(=O)CSc1ccc(cc1)N 62a_100000185761_100000036128 [1,1,0,0,0,0|1,0,1]=4 2488 B14R1.502 C=COC(=O)CSc1ccc(cc1)O 62a_100000036128_100000185759 [1,1,0,0,0,0|1,0,1]=4 2489 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210303 [1,1,0,0,0,0|0,0,2]=4 2490 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011215381 [1,1,0,0,0,0|0,0,2]=4 2491 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210303 [1,1,0,0,0,0|0,0,2]=4 2492 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210303 [1,1,0,0,0,0|0,0,2]=4 2493 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210303 [1,1,0,0,0,0|0,0,2]=4 2494 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011215381 [1,1,0,0,0,0|0,0,2]=4 2495 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210303 [1,1,0,0,0,0|0,0,2]=4 2496 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011215381 [1,1,0,0,0,0|0,0,2]=4 2497 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Br 11a_100015525214_100016267368 [1,1,0,0,0,0|1,0,1]=4 2498 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C 11a_100015525214_100000716854 [1,1,0,0,0,0|1,0,1]=4 2499 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C 240690a_100015525214_100000716854 [1,1,0,0,0,0|1,0,1]=4 2500 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100015525214_100000184863 [1,1,0,0,0,0|1,0,1]=4 2501 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100015525214_100000184863 [1,1,0,0,0,0|1,0,1]=4 2502 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F 11a_100015525214_100000182136 [1,1,0,0,0,0|1,0,1]=4 2503 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F 240690a_100015525214_100000182136 [1,1,0,0,0,0|1,0,1]=4 2504 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)I 11a_100015525214_100102526154 [1,1,0,0,0,0|1,0,1]=4 2505 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)I 240690a_100015525214_100102526154 [1,1,0,0,0,0|1,0,1]=4 2506 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)O 240690a_100015525214_100016269017 [1,1,0,0,0,0|1,0,1]=4 2507 B14R1.502 CCOC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100016304033 [1,1,0,0,0,0|0,0,1]=3 2508 B14R1.502 CCOC(=O)C=Cc1cc[n+](cc1)[O-] 271570a_100010199719_100000039755 [1,1,0,0,0,0|1,0,1]=4 2509 B14R1.502 CCOC(=O)C=Cc1ccc(=O)[nH]c1 271570a_100010199719_100000212171 [1,1,0,0,0,0|1,0,1]=4 2510 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Br 271570a_100010199719_100000752885 [1,1,0,0,0,0|0,0,1]=3 2511 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)C 271570a_100010199719_100000186775 [1,1,0,0,0,0|0,0,1]=3 2512 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Cl 271570a_100010199719_100000755918 [1,1,0,0,0,0|0,0,1]=3 2513 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)F 271570a_100010199719_100000211213 [1,1,0,0,0,0|0,0,1]=3 2514 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)N 271570a_100010199719_100000185761 [1,1,0,0,0,0|0,0,1]=3 2515 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)O 271570a_100010199719_100000185759 [1,1,0,0,0,0|0,0,1]=3 2516 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)Br 271570a_100010199719_100000686858 [1,1,0,0,0,0|1,0,1]=4 2517 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)C 271570a_100010199719_100000754016 [1,1,0,0,0,0|1,0,1]=4 2518 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)Cl 271570a_100010199719_100011356976 [1,1,0,0,0,0|1,0,1]=4 2519 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)F 271570a_100010199719_100000744514 [1,1,0,0,0,0|1,0,1]=4 2520 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)N 271570a_100010199719_100000744251 [1,1,0,0,0,0|1,0,1]=4 2521 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)O 271570a_100010199719_100000685995 [1,1,0,0,0,0|1,0,1]=4 2522 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Br 271570a_100010199719_100009814638 [1,1,0,0,0,0|1,0,1]=4 2523 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)C 271570a_100010199719_100000751577 [1,1,0,0,0,0|1,0,1]=4 2524 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Cl 271570a_100010199719_100000034144 [1,1,0,0,0,0|1,0,1]=4 2525 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)F 271570a_100010199719_100000748661 [1,1,0,0,0,0|1,0,1]=4 2526 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)N 271570a_100010199719_100000187370 [1,1,0,0,0,0|1,0,1]=4 2527 B14R1.502 COCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000211753 [1,1,0,0,0,0|1,0,1]=4 2528 B14R1.502 COCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000211753 [1,1,0,0,0,0|1,0,1]=4 2529 B14R1.502 COCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000211753 [1,1,0,0,0,0|1,0,1]=4 2530 B14R1.502 CSCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011216314 [1,1,0,0,0,0|1,0,1]=4 2531 B14R1.502 CSCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011216314 [1,1,0,0,0,0|1,0,1]=4 2532 B14R1.502 CSCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011216314 [1,1,0,0,0,0|1,0,1]=4 2533 B14R1.502 Cc1ccc(cc1)C=CC(=O)CC#N 1458a_100000716854_100011214920 [1,1,0,0,0,0|1,0,1]=4 2534 B14R1.502 Cc1ccc(cc1)C=CC(=O)CCF 1458a_100000716854_100011217306 [1,1,0,0,0,0|1,0,1]=4 2535 B14R1.502 Cc1ccc(cc1)C=CC(=O)CCO 1458a_100000716854_100000211926 [1,1,0,0,0,0|1,0,1]=4 2536 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011214920 [1,1,0,0,0,0|1,0,1]=4 2537 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000184835 [1,1,0,0,0,0|1,0,1]=4 2538 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011214920 [1,1,0,0,0,0|1,0,1]=4 2539 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011214920 [1,1,0,0,0,0|1,0,1]=4 2540 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000184835 [1,1,0,0,0,0|1,0,1]=4 2541 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011214920 [1,1,0,0,0,0|1,0,1]=4 2542 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000184835 [1,1,0,0,0,0|1,0,1]=4 2543 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCBr 6a_100000186029_100011261029 [1,1,0,0,0,0|1,0,1]=4 2544 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCCl 6a_100000186029_100000053229 [1,1,0,0,0,0|1,0,1]=4 2545 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCF 1458a_100016267368_100011217306 [1,1,0,0,0,0|1,0,1]=4 2546 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCO 1458a_100016267368_100000211926 [1,1,0,0,0,0|1,0,1]=4 2547 B14R1.502 O=C(C=Cc1ccc(cc1)Cl)CCF 1458a_100000184863_100011217306 [1,1,0,0,0,0|1,0,1]=4 2548 B14R1.502 O=C(C=Cc1ccc(cc1)Cl)CCO 1458a_100000184863_100000211926 [1,1,0,0,0,0|1,0,1]=4 2549 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCBr 6a_100000210084_100011261029 [1,1,0,0,0,0|1,0,1]=4 2550 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCCl 6a_100000210084_100000053229 [1,1,0,0,0,0|1,0,1]=4 2551 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCF 1458a_100000182136_100011217306 [1,1,0,0,0,0|1,0,1]=4 2552 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCO 1458a_100000182136_100000211926 [1,1,0,0,0,0|1,0,1]=4 2553 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCBr 6a_100000188517_100011261029 [1,1,0,0,0,0|1,0,1]=4 2554 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCCl 6a_100000188517_100000053229 [1,1,0,0,0,0|1,0,1]=4 2555 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCF 1458a_100102526154_100011217306 [1,1,0,0,0,0|1,0,1]=4 2556 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCO 1458a_100102526154_100000211926 [1,1,0,0,0,0|1,0,1]=4 2557 B14R1.598 C#CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000184674 [1,1,0,0,0,0|0,0,2]=4 2558 B14R1.598 C#CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000184674 [1,1,0,0,0,0|0,0,2]=4 2559 B14R1.598 C#CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000184674 [1,1,0,0,0,0|0,0,2]=4 2560 B14R1.598 C#CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000184674 [1,1,0,0,0,0|0,0,2]=4 2561 B14R1.598 C=CCC(=O)C#Cc1ccccc1F 1458a_100011892747_100000210623 [1,1,0,0,0,0|0,0,2]=4 2562 B14R1.598 C=CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210623 [1,1,0,0,0,0|0,0,0]=2 2563 B14R1.598 C=CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210623 [1,1,0,0,0,0|0,0,0]=2 2564 B14R1.598 C=CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210623 [1,1,0,0,0,0|0,0,0]=2 2565 B14R1.598 C=CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210623 [1,1,0,0,0,0|0,0,0]=2 2566 B14R1.598 C=CCC(=O)CCc1ccccc1Br 1458a_100000210193_100012161201 [1,1,0,0,0,0|0,0,2]=4 2567 B14R1.598 C=CCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210623 [1,1,0,0,0,0|0,0,2]=4 2568 B14R1.598 C=CCC(=O)CCc1ccccc1C 1458a_100000210193_100011713688 [1,1,0,0,0,0|0,0,2]=4 2569 B14R1.598 C=CCC(=O)CCc1ccccc1C 1458a_100000748742_100000210623 [1,1,0,0,0,0|0,0,2]=4 2570 B14R1.598 C=CCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210623 [1,1,0,0,0,0|0,0,2]=4 2571 B14R1.598 C=CCC(=O)CCc1ccccc1Cl 1458a_100000210193_100011713703 [1,1,0,0,0,0|0,0,2]=4 2572 B14R1.598 C=CCC(=O)CCc1ccccc1F 1458a_100000189703_100000210623 [1,1,0,0,0,0|0,0,2]=4 2573 B14R1.598 C=CCC(=O)CCc1ccccc1F 1458a_100000210193_100000720011 [1,1,0,0,0,0|0,0,2]=4 2574 B14R1.598 C=CCC(=O)CCc1ccccc1I 1458a_100000037306_100000210623 [1,1,0,0,0,0|0,0,2]=4 2575 B14R1.598 C=CCC(=O)CCc1ccccc1O 1458a_100000181328_100000210623 [1,1,0,0,0,0|0,0,2]=4 2576 B14R1.598 C=CCC(=O)CCc1ccccc1O 1458a_100000210193_100000722297 [1,1,0,0,0,0|0,0,2]=4 2577 B14R1.598 C=CCC(=O)COc1ccccc1Br 1458a_100000216496_100000210623 [1,1,0,0,0,0|1,0,1]=4 2578 B14R1.598 C=CCC(=O)COc1ccccc1C 1458a_100000182418_100000210623 [1,1,0,0,0,0|1,0,1]=4 2579 B14R1.598 C=CCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210623 [1,1,0,0,0,0|1,0,1]=4 2580 B14R1.598 C=CCC(=O)COc1ccccc1F 1458a_100000182486_100000210623 [1,1,0,0,0,0|1,0,1]=4 2581 B14R1.598 C=CCC(=O)COc1ccccc1O 1458a_100000183020_100000210623 [1,1,0,0,0,0|1,0,1]=4 2582 B14R1.598 C=CCC(=O)CSc1ccccc1C 1458a_100000183026_100000210623 [1,1,0,0,0,0|1,0,1]=4 2583 B14R1.598 C=CCC(=O)CSc1ccccc1F 1458a_100000179528_100000210623 [1,1,0,0,0,0|1,0,1]=4 2584 B14R1.598 C=CCC(=O)CSc1ccccc1O 1458a_100000695322_100000210623 [1,1,0,0,0,0|1,0,1]=4 2585 B14R1.598 C=CCC(=O)NCc1ccccc1Br 11a_100000689332_100000210193 [1,1,0,0,0,0|1,0,1]=4 2586 B14R1.598 C=CCC(=O)NCc1ccccc1Br 1626a_100000689332_100000210193 [1,1,0,0,0,0|1,0,1]=4 2587 B14R1.598 C=CCC(=O)NCc1ccccc1Br 240690a_100000689332_100000210193 [1,1,0,0,0,0|1,0,1]=4 2588 B14R1.598 C=CCC(=O)NCc1ccccc1Br 527a_100000689332_100000210193 [1,1,0,0,0,0|1,0,1]=4 2589 B14R1.598 C=CCC(=O)NCc1ccccc1C 11a_100000174972_100000210193 [1,1,0,0,0,0|1,0,1]=4 2590 B14R1.598 C=CCC(=O)NCc1ccccc1C 1626a_100000174972_100000210193 [1,1,0,0,0,0|1,0,1]=4 2591 B14R1.598 C=CCC(=O)NCc1ccccc1C 240690a_100000174972_100000210193 [1,1,0,0,0,0|1,0,1]=4 2592 B14R1.598 C=CCC(=O)NCc1ccccc1C 527a_100000174972_100000210193 [1,1,0,0,0,0|1,0,1]=4 2593 B14R1.598 C=CCC(=O)NCc1ccccc1Cl 11a_100000174879_100000210193 [1,1,0,0,0,0|1,0,1]=4 2594 B14R1.598 C=CCC(=O)NCc1ccccc1Cl 1626a_100000174879_100000210193 [1,1,0,0,0,0|1,0,1]=4 2595 B14R1.598 C=CCC(=O)NCc1ccccc1Cl 240690a_100000174879_100000210193 [1,1,0,0,0,0|1,0,1]=4 2596 B14R1.598 C=CCC(=O)NCc1ccccc1Cl 527a_100000174879_100000210193 [1,1,0,0,0,0|1,0,1]=4 2597 B14R1.598 C=CCC(=O)NCc1ccccc1F 11a_100000174869_100000210193 [1,1,0,0,0,0|1,0,1]=4 2598 B14R1.598 C=CCC(=O)NCc1ccccc1F 1626a_100000174869_100000210193 [1,1,0,0,0,0|1,0,1]=4 2599 B14R1.598 C=CCC(=O)NCc1ccccc1F 240690a_100000174869_100000210193 [1,1,0,0,0,0|1,0,1]=4 2600 B14R1.598 C=CCC(=O)NCc1ccccc1F 527a_100000174869_100000210193 [1,1,0,0,0,0|1,0,1]=4 2601 B14R1.598 C=CCC(=O)NCc1ccccc1I 11a_100015347259_100000210193 [1,1,0,0,0,0|1,0,1]=4 2602 B14R1.598 C=CCC(=O)NCc1ccccc1I 1626a_100015347259_100000210193 [1,1,0,0,0,0|1,0,1]=4 2603 B14R1.598 C=CCC(=O)NCc1ccccc1I 240690a_100015347259_100000210193 [1,1,0,0,0,0|1,0,1]=4 2604 B14R1.598 C=CCC(=O)NCc1ccccc1I 527a_100015347259_100000210193 [1,1,0,0,0,0|1,0,1]=4 2605 B14R1.598 C=CCC(=O)NCc1ccccc1O 240690a_100000185550_100000210193 [1,1,0,0,0,0|1,0,1]=4 2606 B14R1.598 C=CCC(=O)NCc1ccccc1O 527a_100000185550_100000210193 [1,1,0,0,0,0|1,0,1]=4 2607 B14R1.598 C=CCC(=O)NNc1ccccc1Br 22a_100000241748_100000210193 [1,1,0,0,0,0|2,0,0]=4 2608 B14R1.598 C=CCC(=O)NNc1ccccc1C 22a_100000184220_100000210193 [1,1,0,0,0,0|2,0,0]=4 2609 B14R1.598 C=CCC(=O)NNc1ccccc1Cl 22a_100000683529_100000210193 [1,1,0,0,0,0|2,0,0]=4 2610 B14R1.598 C=CCC(=O)NNc1ccccc1F 22a_100000239246_100000210193 [1,1,0,0,0,0|2,0,0]=4 2611 B14R1.598 C=CCC(=O)NNc1ccccc1I 22a_100011218156_100000210193 [1,1,0,0,0,0|2,0,0]=4 2612 B14R1.598 C=COC(=O)CNc1ccccc1Br 34a_100000210017_100000036128 [1,1,0,0,0,0|1,0,1]=4 2613 B14R1.598 C=COC(=O)CNc1ccccc1C 34a_100015192222_100000036128 [1,1,0,0,0,0|1,0,1]=4 2614 B14R1.598 C=COC(=O)CNc1ccccc1Cl 34a_100000185783_100000036128 [1,1,0,0,0,0|1,0,1]=4 2615 B14R1.598 C=COC(=O)CNc1ccccc1F 34a_100000210422_100000036128 [1,1,0,0,0,0|1,0,1]=4 2616 B14R1.598 C=COC(=O)CNc1ccccc1I 34a_100000210053_100000036128 [1,1,0,0,0,0|1,0,1]=4 2617 B14R1.598 C=COC(=O)CNc1ccccc1O 34a_100000185747_100000036128 [1,1,0,0,0,0|1,0,1]=4 2618 B14R1.598 C=COC(=O)COc1ccccc1Br 34a_100000181306_100000036128 [1,1,0,0,0,0|1,0,1]=4 2619 B14R1.598 C=COC(=O)COc1ccccc1C 34a_100000210338_100000036128 [1,1,0,0,0,0|1,0,1]=4 2620 B14R1.598 C=COC(=O)COc1ccccc1Cl 34a_100000210172_100000036128 [1,1,0,0,0,0|1,0,1]=4 2621 B14R1.598 C=COC(=O)COc1ccccc1F 34a_100000210171_100000036128 [1,1,0,0,0,0|1,0,1]=4 2622 B14R1.598 C=COC(=O)COc1ccccc1I 34a_100000739446_100000036128 [1,1,0,0,0,0|1,0,1]=4 2623 B14R1.598 C=COC(=O)COc1ccccc1N 34a_100000185747_100000036128 [1,1,0,0,0,0|1,0,1]=4 2624 B14R1.598 C=COC(=O)CSc1ccccc1Br 62a_100000036128_100000695589 [1,1,0,0,0,0|1,0,1]=4 2625 B14R1.598 C=COC(=O)CSc1ccccc1Br 62a_100000695589_100000036128 [1,1,0,0,0,0|1,0,1]=4 2626 B14R1.598 C=COC(=O)CSc1ccccc1C 62a_100000036128_100000210755 [1,1,0,0,0,0|1,0,1]=4 2627 B14R1.598 C=COC(=O)CSc1ccccc1C 62a_100000210755_100000036128 [1,1,0,0,0,0|1,0,1]=4 2628 B14R1.598 C=COC(=O)CSc1ccccc1Cl 62a_100000036128_100000764095 [1,1,0,0,0,0|1,0,1]=4 2629 B14R1.598 C=COC(=O)CSc1ccccc1Cl 62a_100000764095_100000036128 [1,1,0,0,0,0|1,0,1]=4 2630 B14R1.598 C=COC(=O)CSc1ccccc1F 62a_100000036128_100011215700 [1,1,0,0,0,0|1,0,1]=4 2631 B14R1.598 C=COC(=O)CSc1ccccc1F 62a_100011215700_100000036128 [1,1,0,0,0,0|1,0,1]=4 2632 B14R1.598 C=COC(=O)CSc1ccccc1N 62a_100000036128_100000210017 [1,1,0,0,0,0|1,0,1]=4 2633 B14R1.598 C=COC(=O)CSc1ccccc1N 62a_100000210017_100000036128 [1,1,0,0,0,0|1,0,1]=4 2634 B14R1.598 C=COC(=O)CSc1ccccc1O 62a_100000036128_100000739446 [1,1,0,0,0,0|1,0,1]=4 2635 B14R1.598 C=COC(=O)CSc1ccccc1O 62a_100000739446_100000036128 [1,1,0,0,0,0|1,0,1]=4 2636 B14R1.598 CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210303 [1,1,0,0,0,0|0,0,2]=4 2637 B14R1.598 CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210303 [1,1,0,0,0,0|0,0,2]=4 2638 B14R1.598 CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210303 [1,1,0,0,0,0|0,0,2]=4 2639 B14R1.598 CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210303 [1,1,0,0,0,0|0,0,2]=4 2640 B14R1.598 CCNC(=O)C=Cc1ccccc1Br 11a_100015525214_100000719032 [1,1,0,0,0,0|1,0,1]=4 2641 B14R1.598 CCNC(=O)C=Cc1ccccc1Br 240690a_100015525214_100000719032 [1,1,0,0,0,0|1,0,1]=4 2642 B14R1.598 CCNC(=O)C=Cc1ccccc1Cl 11a_100015525214_100000720304 [1,1,0,0,0,0|1,0,1]=4 2643 B14R1.598 CCNC(=O)C=Cc1ccccc1Cl 240690a_100015525214_100000720304 [1,1,0,0,0,0|1,0,1]=4 2644 B14R1.598 CCNC(=O)C=Cc1ccccc1F 11a_100015525214_100016256065 [1,1,0,0,0,0|1,0,1]=4 2645 B14R1.598 CCNC(=O)C=Cc1ccccc1F 240690a_100015525214_100016256065 [1,1,0,0,0,0|1,0,1]=4 2646 B14R1.598 CCOC(=O)/C=C/c1ccccc1O 271570a_203496583355_100016317929 [1,1,0,0,0,0|0,0,1]=3 2647 B14R1.598 CCOC(=O)/C=C/c1cccnc1O 271570a_203496583355_200020681690 [1,1,0,0,0,0|1,0,1]=4 2648 B14R1.598 CCOC(=O)C=Cc1c[nH]ccc1=O 271570a_100010199719_100009998708 [1,1,0,0,0,0|1,0,1]=4 2649 B14R1.598 CCOC(=O)C=Cc1c[nH]ccc1=S 271570a_100010199719_200012280681 [1,1,0,0,0,0|1,0,1]=4 2650 B14R1.598 CCOC(=O)C=Cc1ccc[nH]c1=O 271570a_100010199719_100000050042 [1,1,0,0,0,0|1,0,1]=4 2651 B14R1.598 CCOC(=O)C=Cc1cccc[n+]1C 271570a_100010199719_100000212160 [1,1,0,0,0,0|1,0,1]=4 2652 B14R1.598 CCOC(=O)C=Cc1cccc[n+]1[O-] 271570a_100010199719_200000042595 [1,1,0,0,0,0|1,0,1]=4 2653 B14R1.598 CCOC(=O)C=Cc1ccccc1Br 271570a_100010199719_100000695589 [1,1,0,0,0,0|0,0,1]=3 2654 B14R1.598 CCOC(=O)C=Cc1ccccc1C 271570a_100010199719_100000210755 [1,1,0,0,0,0|0,0,1]=3 2655 B14R1.598 CCOC(=O)C=Cc1ccccc1Cl 271570a_100010199719_100000764095 [1,1,0,0,0,0|0,0,1]=3 2656 B14R1.598 CCOC(=O)C=Cc1ccccc1F 271570a_100010199719_100011215700 [1,1,0,0,0,0|0,0,1]=3 2657 B14R1.598 CCOC(=O)C=Cc1ccccc1N 271570a_100010199719_100000210017 [1,1,0,0,0,0|0,0,1]=3 2658 B14R1.598 CCOC(=O)C=Cc1ccccc1O 271570a_100010199719_100000739446 [1,1,0,0,0,0|0,0,1]=3 2659 B14R1.598 CCOC(=O)C=Cc1cccnc1Br 271570a_100010199719_100010202626 [1,1,0,0,0,0|1,0,1]=4 2660 B14R1.598 CCOC(=O)C=Cc1cccnc1C 271570a_100010199719_100000751574 [1,1,0,0,0,0|1,0,1]=4 2661 B14R1.598 CCOC(=O)C=Cc1cccnc1Cl 271570a_100010199719_100000036424 [1,1,0,0,0,0|1,0,1]=4 2662 B14R1.598 CCOC(=O)C=Cc1cccnc1F 271570a_100010199719_100009816115 [1,1,0,0,0,0|1,0,1]=4 2663 B14R1.598 CCOC(=O)C=Cc1cccnc1N 271570a_100010199719_100000045569 [1,1,0,0,0,0|1,0,1]=4 2664 B14R1.598 CCOC(=O)C=Cc1ccncc1Br 271570a_100010199719_100000726257 [1,1,0,0,0,0|1,0,1]=4 2665 B14R1.598 CCOC(=O)C=Cc1ccncc1C 271570a_100010199719_100015191297 [1,1,0,0,0,0|1,0,1]=4 2666 B14R1.598 CCOC(=O)C=Cc1ccncc1Cl 271570a_100010199719_100000708259 [1,1,0,0,0,0|1,0,1]=4 2667 B14R1.598 CCOC(=O)C=Cc1ccncc1F 271570a_100010199719_100000047030 [1,1,0,0,0,0|1,0,1]=4 2668 B14R1.598 CCOC(=O)C=Cc1ccncc1N 271570a_100010199719_100009815883 [1,1,0,0,0,0|1,0,1]=4 2669 B14R1.598 CCOC(=O)C=Cc1ccncc1O 271570a_100010199719_100009817591 [1,1,0,0,0,0|1,0,1]=4 2670 B14R1.598 CCOC(=O)C=Cc1cnccc1Br 271570a_100010199719_100010138639 [1,1,0,0,0,0|1,0,1]=4 2671 B14R1.598 CCOC(=O)C=Cc1cnccc1C 271570a_100010199719_100000761580 [1,1,0,0,0,0|1,0,1]=4 2672 B14R1.598 CCOC(=O)C=Cc1cnccc1Cl 271570a_100010199719_100009995489 [1,1,0,0,0,0|1,0,1]=4 2673 B14R1.598 CCOC(=O)C=Cc1cnccc1F 271570a_100010199719_100009820683 [1,1,0,0,0,0|1,0,1]=4 2674 B14R1.598 CCOC(=O)C=Cc1cnccc1N 271570a_100010199719_100000047001 [1,1,0,0,0,0|1,0,1]=4 2675 B14R1.598 CCOC(=O)C=Cc1ncccc1Br 271570a_100010199719_100000696092 [1,1,0,0,0,0|1,0,1]=4 2676 B14R1.598 CCOC(=O)C=Cc1ncccc1C 271570a_100010199719_100000751373 [1,1,0,0,0,0|1,0,1]=4 2677 B14R1.598 CCOC(=O)C=Cc1ncccc1Cl 271570a_100010199719_100011356963 [1,1,0,0,0,0|1,0,1]=4 2678 B14R1.598 CCOC(=O)C=Cc1ncccc1F 271570a_100010199719_100000685392 [1,1,0,0,0,0|1,0,1]=4 2679 B14R1.598 CCOC(=O)C=Cc1ncccc1N 271570a_100010199719_100000688686 [1,1,0,0,0,0|1,0,1]=4 2680 B14R1.598 CCOC(=O)C=Cc1ncccc1O 271570a_100010199719_100000034122 [1,1,0,0,0,0|1,0,1]=4 2681 B14R1.598 N#CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011214920 [1,1,0,0,0,0|1,0,1]=4 2682 B14R1.598 N#CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011214920 [1,1,0,0,0,0|1,0,1]=4 2683 B14R1.598 N#CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011214920 [1,1,0,0,0,0|1,0,1]=4 2684 B14R1.598 N#CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011214920 [1,1,0,0,0,0|1,0,1]=4 2685 B14R1.598 O=C(C=Cc1ccccc1Br)CCF 1458a_100000719032_100011217306 [1,1,0,0,0,0|1,0,1]=4 2686 B14R1.598 O=C(C=Cc1ccccc1Br)CCO 1458a_100000719032_100000211926 [1,1,0,0,0,0|1,0,1]=4 2687 B14R1.598 O=C(C=Cc1ccccc1Cl)CCF 1458a_100000720304_100011217306 [1,1,0,0,0,0|1,0,1]=4 2688 B14R1.598 O=C(C=Cc1ccccc1Cl)CCO 1458a_100000720304_100000211926 [1,1,0,0,0,0|1,0,1]=4 2689 B14R1.598 O=C(C=Cc1ccccc1F)CCF 1458a_100016256065_100011217306 [1,1,0,0,0,0|1,0,1]=4 2690 B14R1.598 O=C(C=Cc1ccccc1F)CCO 1458a_100016256065_100000211926 [1,1,0,0,0,0|1,0,1]=4 2691 B14R1.598 O=C(C=Cc1ccccc1O)CCF 1458a_100016263591_100011217306 [1,1,0,0,0,0|1,0,1]=4 2692 B14R1.598 O=C(C=Cc1ccccc1O)CCO 1458a_100016263591_100000211926 [1,1,0,0,0,0|1,0,1]=4 2693 B14R1.756 C#CC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_200000035995 [1,1,0,0,0,0|0,0,2]=4 2694 B14R1.756 C=CC(C)C(=O)CCc1ccccc1 1458a_100011216780_100000765856 [1,1,0,0,0,0|0,0,2]=4 2695 B14R1.756 C=CC(C)C(=O)NCc1ccccc1 11a_100015324214_100011216780 [1,1,0,0,0,0|1,0,1]=4 2696 B14R1.756 C=CC(C)C(=O)NCc1ccccc1 1626a_100015324214_100011216780 [1,1,0,0,0,0|1,0,1]=4 2697 B14R1.756 C=CC(C)C(=O)NCc1ccccc1 240690a_100015324214_100011216780 [1,1,0,0,0,0|1,0,1]=4 2698 B14R1.756 C=CC(C)C(=O)NCc1ccccc1 527a_100015324214_100011216780 [1,1,0,0,0,0|1,0,1]=4 2699 B14R1.756 C=CC(C)C(=O)NNc1ccccc1 22a_100015195140_100011216780 [1,1,0,0,0,0|2,0,0]=4 2700 B14R1.756 CC(C#N)C(=O)C=Cc1ccccc1 1458a_100000210462_100000703298 [1,1,0,0,0,0|1,0,1]=4 2701 B14R1.756 CCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000758301 [1,1,0,0,0,0|0,0,2]=4 2702 B14R1.756 CCN(C)C(=O)C=Cc1ccccc1 11a_100000225621_100000210462 [1,1,0,0,0,0|1,0,1]=4 2703 B14R1.756 CCN(C)C(=O)C=Cc1ccccc1 1626a_100000225621_100000210462 [1,1,0,0,0,0|1,0,1]=4 2704 B14R1.818 C=C(C)CC(=O)C#Cc1ccccc1 1458a_100000736102_100000748629 [1,1,0,0,0,0|0,0,2]=4 2705 B14R1.818 C=C(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000748629 [1,1,0,0,0,0|0,0,0]=2 2706 B14R1.818 C=C(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000748629 [1,1,0,0,0,0|1,0,0]=3 2707 B14R1.818 C=C(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000748629 [1,1,0,0,0,0|1,0,0]=3 2708 B14R1.818 C=C(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000748629 [1,1,0,0,0,0|1,0,0]=3 2709 B14R1.818 C=C(C)CC(=O)CCc1ccccc1 1458a_100000185753_100000748629 [1,1,0,0,0,0|0,0,2]=4 2710 B14R1.818 C=C(C)CC(=O)COc1ccccc1 1458a_100000186222_100000748629 [1,1,0,0,0,0|1,0,1]=4 2711 B14R1.818 C=C(C)CC(=O)CSc1ccccc1 1458a_100000211596_100000748629 [1,1,0,0,0,0|1,0,1]=4 2712 B14R1.818 C=C(F)CC(=O)C#Cc1ccccc1 1458a_100000736102_100009893438 [1,1,0,0,0,0|0,0,2]=4 2713 B14R1.818 C=C(F)CC(=O)C=Cc1ccccc1 1458a_100000210462_100009893438 [1,1,0,0,0,0|0,0,0]=2 2714 B14R1.818 C=C(F)CC(=O)C=Cc1ccccn1 1458a_100000740811_100009893438 [1,1,0,0,0,0|1,0,0]=3 2715 B14R1.818 C=C(F)CC(=O)C=Cc1cccnc1 1458a_100000735890_100009893438 [1,1,0,0,0,0|1,0,0]=3 2716 B14R1.818 C=C(F)CC(=O)C=Cc1ccncc1 1458a_100000682801_100009893438 [1,1,0,0,0,0|1,0,0]=3 2717 B14R1.818 C=C(F)CC(=O)CCc1ccccc1 1458a_100000185753_100009893438 [1,1,0,0,0,0|0,0,2]=4 2718 B14R1.818 C=C(F)CC(=O)COc1ccccc1 1458a_100000186222_100009893438 [1,1,0,0,0,0|1,0,1]=4 2719 B14R1.818 C=C(F)CC(=O)CSc1ccccc1 1458a_100000211596_100009893438 [1,1,0,0,0,0|1,0,1]=4 2720 B14R1.818 CC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000210624 [1,1,0,0,0,0|0,0,2]=4 2721 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 11a_100138425928_100000210462 [1,1,0,0,0,0|1,0,1]=4 2722 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 1626a_100138425928_100000210462 [1,1,0,0,0,0|1,0,1]=4 2723 B14R1.818 CC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011218427 [1,1,0,0,0,0|0,0,2]=4 2724 B14R1.818 NC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000187820 [1,1,0,0,0,0|1,0,0]=3 2725 B14R1.818 NC(=O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000187820 [1,1,0,0,0,0|2,0,0]=4 2726 B14R1.818 NC(=O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000187820 [1,1,0,0,0,0|2,0,0]=4 2727 B14R1.818 NC(=O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000187820 [1,1,0,0,0,0|2,0,0]=4 2728 B14R1.818 O=C(C=Cc1ccccc1)CC(F)F 1458a_100000210462_100011934356 [1,1,0,0,0,0|1,0,1]=4 2729 B14R1.818 O=C(C=Cc1ccccc1)C[N+](=O)[O-] 1458a_100000210462_100000761209 [1,1,0,0,0,0|2,0,0]=4 2730 B14R1.818 O=C([O-])CC(=O)C=Cc1ccccc1 1458a_100000210462_100020667443 [1,1,0,0,0,0|1,0,0]=3 2731 B14R1.818 O=C([O-])CC(=O)C=Cc1ccccn1 1458a_100000740811_100020667443 [1,1,0,0,0,0|2,0,0]=4 2732 B14R1.818 O=C([O-])CC(=O)C=Cc1cccnc1 1458a_100000735890_100020667443 [1,1,0,0,0,0|2,0,0]=4 2733 B14R1.818 O=C([O-])CC(=O)C=Cc1ccncc1 1458a_100000682801_100020667443 [1,1,0,0,0,0|2,0,0]=4 2734 B14R1.33 C=CCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000754431 [0,1,0,0,1,0|1,0,1]=4 2735 B14R1.33 C=CCCC(=O)Cc1ccc(cc1)Br 1458a_100000749702_100000189115 [0,1,0,0,1,0|1,0,1]=4 2736 B14R1.33 C=CCCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000754431 [0,1,0,0,1,0|1,0,1]=4 2737 B14R1.33 C=CCCC(=O)Cc1ccc(cc1)C 1458a_100000749702_100000210814 [0,1,0,0,1,0|1,0,1]=4 2738 B14R1.33 C=CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000754431 [0,1,0,0,1,0|1,0,1]=4 2739 B14R1.33 C=CCCC(=O)Cc1ccc(cc1)Cl 1458a_100000749702_100000694040 [0,1,0,0,1,0|1,0,1]=4 2740 B14R1.33 C=CCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000754431 [0,1,0,0,1,0|1,0,1]=4 2741 B14R1.33 C=CCCC(=O)Cc1ccc(cc1)F 1458a_100000749702_100000198546 [0,1,0,0,1,0|1,0,1]=4 2742 B14R1.33 C=CCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000754431 [0,1,0,0,1,0|1,0,1]=4 2743 B14R1.33 C=CCCC(=O)Cc1ccc(cc1)I 1458a_100000749702_100000189116 [0,1,0,0,1,0|1,0,1]=4 2744 B14R1.33 C=CCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000754431 [0,1,0,0,1,0|1,0,1]=4 2745 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000749702 [0,1,0,0,1,0|2,0,0]=4 2746 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000749702 [0,1,0,0,1,0|2,0,0]=4 2747 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000749702 [0,1,0,0,1,0|2,0,0]=4 2748 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000749702 [0,1,0,0,1,0|2,0,0]=4 2749 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000749702 [0,1,0,0,1,0|2,0,0]=4 2750 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000749702 [0,1,0,0,1,0|2,0,0]=4 2751 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000749702 [0,1,0,0,1,0|2,0,0]=4 2752 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000749702 [0,1,0,0,1,0|2,0,0]=4 2753 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000749702 [0,1,0,0,1,0|2,0,0]=4 2754 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000749702 [0,1,0,0,1,0|2,0,0]=4 2755 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000749702 [0,1,0,0,1,0|2,0,0]=4 2756 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000749702 [0,1,0,0,1,0|2,0,0]=4 2757 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000749702 [0,1,0,0,1,0|2,0,0]=4 2758 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000749702 [0,1,0,0,1,0|2,0,0]=4 2759 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000749702 [0,1,0,0,1,0|2,0,0]=4 2760 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000749702 [0,1,0,0,1,0|2,0,0]=4 2761 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000749702 [0,1,0,0,1,0|2,0,0]=4 2762 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000749702 [0,1,0,0,1,0|2,0,0]=4 2763 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000749702 [0,1,0,0,1,0|2,0,0]=4 2764 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000749702 [0,1,0,0,1,0|2,0,0]=4 2765 B14R1.33 C=CCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000749702 [0,1,0,0,1,0|2,0,0]=4 2766 B14R1.33 C=CCNC(=O)Cc1ccc(cc1)Br 240690a_100020586998_100000198978 [0,1,0,0,1,0|1,0,1]=4 2767 B14R1.33 C=CCNC(=O)Cc1ccc(cc1)Br 527a_100020586998_100000198978 [0,1,0,0,1,0|1,0,1]=4 2768 B14R1.33 C=CCNC(=O)Cc1ccc(cc1)C 240690a_100020586998_100000212244 [0,1,0,0,1,0|1,0,1]=4 2769 B14R1.33 C=CCNC(=O)Cc1ccc(cc1)C 527a_100020586998_100000212244 [0,1,0,0,1,0|1,0,1]=4 2770 B14R1.33 C=CCNC(=O)Cc1ccc(cc1)Cl 240690a_100020586998_100000211027 [0,1,0,0,1,0|1,0,1]=4 2771 B14R1.33 C=CCNC(=O)Cc1ccc(cc1)Cl 527a_100020586998_100000211027 [0,1,0,0,1,0|1,0,1]=4 2772 B14R1.33 C=CCNC(=O)Cc1ccc(cc1)F 1626a_100020586998_100000210951 [0,1,0,0,1,0|1,0,1]=4 2773 B14R1.33 C=CCNC(=O)Cc1ccc(cc1)F 240690a_100020586998_100000210951 [0,1,0,0,1,0|1,0,1]=4 2774 B14R1.33 C=CCNC(=O)Cc1ccc(cc1)F 527a_100020586998_100000210951 [0,1,0,0,1,0|1,0,1]=4 2775 B14R1.33 C=CCNC(=O)Cc1ccc(cc1)I 1626a_100020586998_100000688869 [0,1,0,0,1,0|1,0,1]=4 2776 B14R1.33 C=CCNC(=O)Cc1ccc(cc1)I 240690a_100020586998_100000688869 [0,1,0,0,1,0|1,0,1]=4 2777 B14R1.33 C=CCNC(=O)Cc1ccc(cc1)I 527a_100020586998_100000688869 [0,1,0,0,1,0|1,0,1]=4 2778 B14R1.33 C=CCNC(=O)Cc1ccc(cc1)O 1626a_100020586998_100000198540 [0,1,0,0,1,0|1,0,1]=4 2779 B14R1.33 C=CCNC(=O)Cc1ccc(cc1)O 240690a_100020586998_100000198540 [0,1,0,0,1,0|1,0,1]=4 2780 B14R1.33 C=CCNC(=O)Cc1ccc(cc1)O 527a_100020586998_100000198540 [0,1,0,0,1,0|1,0,1]=4 2781 B14R1.33 C=CCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100020586998 [0,1,0,0,1,0|2,0,0]=4 2782 B14R1.33 C=CCNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100020586998 [0,1,0,0,1,0|2,0,0]=4 2783 B14R1.33 C=CCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100020586998 [0,1,0,0,1,0|2,0,0]=4 2784 B14R1.33 C=CCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100020586998 [0,1,0,0,1,0|2,0,0]=4 2785 B14R1.33 C=CCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100020586998 [0,1,0,0,1,0|2,0,0]=4 2786 B14R1.33 C=CCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100020586998 [0,1,0,0,1,0|2,0,0]=4 2787 B14R1.34 C=CCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000754431 [0,1,0,0,1,0|1,0,1]=4 2788 B14R1.34 C=CCCC(=O)Cc1cccc(c1)Br 1458a_100000749702_100000211773 [0,1,0,0,1,0|1,0,1]=4 2789 B14R1.34 C=CCCC(=O)Cc1cccc(c1)C 1458a_100000749702_100000211840 [0,1,0,0,1,0|1,0,1]=4 2790 B14R1.34 C=CCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000754431 [0,1,0,0,1,0|1,0,1]=4 2791 B14R1.34 C=CCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000754431 [0,1,0,0,1,0|1,0,1]=4 2792 B14R1.34 C=CCCC(=O)Cc1cccc(c1)Cl 1458a_100000749702_100000181238 [0,1,0,0,1,0|1,0,1]=4 2793 B14R1.34 C=CCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000754431 [0,1,0,0,1,0|1,0,1]=4 2794 B14R1.34 C=CCCC(=O)Cc1cccc(c1)F 1458a_100000749702_100000230114 [0,1,0,0,1,0|1,0,1]=4 2795 B14R1.34 C=CCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000754431 [0,1,0,0,1,0|1,0,1]=4 2796 B14R1.34 C=CCCC(=O)Cc1cccc(c1)I 1458a_100000749702_100011218688 [0,1,0,0,1,0|1,0,1]=4 2797 B14R1.34 C=CCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000754431 [0,1,0,0,1,0|1,0,1]=4 2798 B14R1.34 C=CCCC(=O)Cc1cccc(c1)O 1458a_100000749702_100011660834 [0,1,0,0,1,0|1,0,1]=4 2799 B14R1.34 C=CCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000749702 [0,1,0,0,1,0|2,0,0]=4 2800 B14R1.34 C=CCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000749702 [0,1,0,0,1,0|2,0,0]=4 2801 B14R1.34 C=CCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000749702 [0,1,0,0,1,0|2,0,0]=4 2802 B14R1.34 C=CCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000749702 [0,1,0,0,1,0|2,0,0]=4 2803 B14R1.34 C=CCCC(=O)Nc1cccc(c1)C 11a_100000188690_100000749702 [0,1,0,0,1,0|2,0,0]=4 2804 B14R1.34 C=CCCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000749702 [0,1,0,0,1,0|2,0,0]=4 2805 B14R1.34 C=CCCC(=O)Nc1cccc(c1)C 22a_100000188690_100000749702 [0,1,0,0,1,0|2,0,0]=4 2806 B14R1.34 C=CCCC(=O)Nc1cccc(c1)C 527a_100000188690_100000749702 [0,1,0,0,1,0|2,0,0]=4 2807 B14R1.34 C=CCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000749702 [0,1,0,0,1,0|2,0,0]=4 2808 B14R1.34 C=CCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000749702 [0,1,0,0,1,0|2,0,0]=4 2809 B14R1.34 C=CCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000749702 [0,1,0,0,1,0|2,0,0]=4 2810 B14R1.34 C=CCCC(=O)Nc1cccc(c1)F 11a_100000210047_100000749702 [0,1,0,0,1,0|2,0,0]=4 2811 B14R1.34 C=CCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000749702 [0,1,0,0,1,0|2,0,0]=4 2812 B14R1.34 C=CCCC(=O)Nc1cccc(c1)F 22a_100000210047_100000749702 [0,1,0,0,1,0|2,0,0]=4 2813 B14R1.34 C=CCCC(=O)Nc1cccc(c1)F 527a_100000210047_100000749702 [0,1,0,0,1,0|2,0,0]=4 2814 B14R1.34 C=CCCC(=O)Nc1cccc(c1)I 11a_100000211102_100000749702 [0,1,0,0,1,0|2,0,0]=4 2815 B14R1.34 C=CCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000749702 [0,1,0,0,1,0|2,0,0]=4 2816 B14R1.34 C=CCCC(=O)Nc1cccc(c1)I 22a_100000211102_100000749702 [0,1,0,0,1,0|2,0,0]=4 2817 B14R1.34 C=CCCC(=O)Nc1cccc(c1)I 527a_100000211102_100000749702 [0,1,0,0,1,0|2,0,0]=4 2818 B14R1.34 C=CCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000749702 [0,1,0,0,1,0|2,0,0]=4 2819 B14R1.34 C=CCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000749702 [0,1,0,0,1,0|2,0,0]=4 2820 B14R1.34 C=CCCC(=O)Nc1cccc(c1)O 527a_100000210217_100000749702 [0,1,0,0,1,0|2,0,0]=4 2821 B14R1.34 C=CCNC(=O)Cc1cccc(c1)Br 240690a_100020586998_100000747190 [0,1,0,0,1,0|1,0,1]=4 2822 B14R1.34 C=CCNC(=O)Cc1cccc(c1)Br 527a_100020586998_100000747190 [0,1,0,0,1,0|1,0,1]=4 2823 B14R1.34 C=CCNC(=O)Cc1cccc(c1)C 1626a_100020586998_100011206899 [0,1,0,0,1,0|1,0,1]=4 2824 B14R1.34 C=CCNC(=O)Cc1cccc(c1)C 240690a_100020586998_100011206899 [0,1,0,0,1,0|1,0,1]=4 2825 B14R1.34 C=CCNC(=O)Cc1cccc(c1)C 527a_100020586998_100011206899 [0,1,0,0,1,0|1,0,1]=4 2826 B14R1.34 C=CCNC(=O)Cc1cccc(c1)Cl 1626a_100020586998_100000749307 [0,1,0,0,1,0|1,0,1]=4 2827 B14R1.34 C=CCNC(=O)Cc1cccc(c1)Cl 240690a_100020586998_100000749307 [0,1,0,0,1,0|1,0,1]=4 2828 B14R1.34 C=CCNC(=O)Cc1cccc(c1)Cl 527a_100020586998_100000749307 [0,1,0,0,1,0|1,0,1]=4 2829 B14R1.34 C=CCNC(=O)Cc1cccc(c1)F 1626a_100020586998_100000211661 [0,1,0,0,1,0|1,0,1]=4 2830 B14R1.34 C=CCNC(=O)Cc1cccc(c1)F 240690a_100020586998_100000211661 [0,1,0,0,1,0|1,0,1]=4 2831 B14R1.34 C=CCNC(=O)Cc1cccc(c1)F 527a_100020586998_100000211661 [0,1,0,0,1,0|1,0,1]=4 2832 B14R1.34 C=CCNC(=O)Cc1cccc(c1)I 1626a_100020586998_100000238430 [0,1,0,0,1,0|1,0,1]=4 2833 B14R1.34 C=CCNC(=O)Cc1cccc(c1)I 240690a_100020586998_100000238430 [0,1,0,0,1,0|1,0,1]=4 2834 B14R1.34 C=CCNC(=O)Cc1cccc(c1)I 527a_100020586998_100000238430 [0,1,0,0,1,0|1,0,1]=4 2835 B14R1.34 C=CCNC(=O)Cc1cccc(c1)O 240690a_100020586998_100000745134 [0,1,0,0,1,0|1,0,1]=4 2836 B14R1.34 C=CCNC(=O)Cc1cccc(c1)O 527a_100020586998_100000745134 [0,1,0,0,1,0|1,0,1]=4 2837 B14R1.34 C=CCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100020586998 [0,1,0,0,1,0|2,0,0]=4 2838 B14R1.34 C=CCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100020586998 [0,1,0,0,1,0|2,0,0]=4 2839 B14R1.34 C=CCNC(=O)Nc1cccc(c1)C 2430a_100000188690_100020586998 [0,1,0,0,1,0|2,0,0]=4 2840 B14R1.34 C=CCNC(=O)Nc1cccc(c1)C 512a_100000188690_100020586998 [0,1,0,0,1,0|2,0,0]=4 2841 B14R1.34 C=CCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100020586998 [0,1,0,0,1,0|2,0,0]=4 2842 B14R1.34 C=CCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100020586998 [0,1,0,0,1,0|2,0,0]=4 2843 B14R1.34 C=CCNC(=O)Nc1cccc(c1)F 512a_100000210047_100020586998 [0,1,0,0,1,0|2,0,0]=4 2844 B14R1.34 C=CCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100020586998 [0,1,0,0,1,0|2,0,0]=4 2845 B14R1.34 C=CCNC(=O)Nc1cccc(c1)I 512a_100000211102_100020586998 [0,1,0,0,1,0|2,0,0]=4 2846 B14R1.34 C=CCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100020586998 [0,1,0,0,1,0|2,0,0]=4 2847 B14R1.34 C=CCNC(=O)Nc1cccc(c1)O 512a_100000210217_100020586998 [0,1,0,0,1,0|2,0,0]=4 2848 B14R1.166 C=CCCC(=O)C(=C)c1ccccc1 1458a_100000065200_100000754431 [0,1,0,0,1,0|1,0,0]=3 2849 B14R1.166 C=CCCC(=O)C(C)c1ccccc1 1458a_100000749702_100000230085 [0,1,0,0,1,0|1,0,1]=4 2850 B14R1.166 C=CCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000754431 [0,1,0,0,1,0|1,0,1]=4 2851 B14R1.166 C=CCCC(=O)N(C)c1ccccc1 11a_100000210012_100000749702 [0,1,0,0,1,0|2,0,0]=4 2852 B14R1.166 C=CCCC(=O)N(C)c1ccccc1 1626a_100000210012_100000749702 [0,1,0,0,1,0|2,0,0]=4 2853 B14R1.166 C=CCCC(=O)N(C)c1ccccc1 22a_100000210012_100000749702 [0,1,0,0,1,0|2,0,0]=4 2854 B14R1.166 C=CCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000754431 [0,1,0,0,1,0|1,0,1]=4 2855 B14R1.166 C=CCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000754431 [0,1,0,0,1,0|1,0,1]=4 2856 B14R1.166 C=CCNC(=O)C(=C)c1ccccc1 1626a_100020586998_100000065200 [0,1,0,0,1,0|1,0,0]=3 2857 B14R1.166 C=CCNC(=O)C(F)c1ccccc1 1626a_100020586998_100000698975 [0,1,0,0,1,0|1,0,1]=4 2858 B14R1.166 C=CCNC(=O)C(F)c1ccccc1 240690a_100020586998_100000698975 [0,1,0,0,1,0|1,0,1]=4 2859 B14R1.166 C=CCNC(=O)C(F)c1ccccc1 527a_100020586998_100000698975 [0,1,0,0,1,0|1,0,1]=4 2860 B14R1.166 C=CCNC(=O)N(C)c1ccccc1 512a_100020586998_100000210012 [0,1,0,0,1,0|2,0,0]=4 2861 B14R1.166 C=CCNC(=O)[C@@H](C)c1ccccc1 1626a_100020586998_100000751047 [0,1,0,0,1,0|1,0,1]=4 2862 B14R1.166 C=CCNC(=O)[C@@H](C)c1ccccc1 240690a_100020586998_100000751047 [0,1,0,0,1,0|1,0,1]=4 2863 B14R1.166 C=CCNC(=O)[C@@H](C)c1ccccc1 527a_100020586998_100000751047 [0,1,0,0,1,0|1,0,1]=4 2864 B14R1.166 C=CCNC(=O)[C@H](O)c1ccccc1 240690a_100020586998_100000684486 [0,1,0,0,1,0|1,0,1]=4 2865 B14R1.423 C=C(C)CCC(=O)Cc1ccccc1 1458a_200000688413_100015291786 [0,1,0,0,1,0|1,0,1]=4 2866 B14R1.423 C=C(C)CCC(=O)Nc1ccccc1 11a_100000106764_200000688413 [0,1,0,0,1,0|2,0,0]=4 2867 B14R1.423 C=C(C)CCC(=O)Nc1ccccc1 1626a_100000106764_200000688413 [0,1,0,0,1,0|2,0,0]=4 2868 B14R1.423 C=C(C)CCC(=O)Nc1ccccc1 22a_100000106764_200000688413 [0,1,0,0,1,0|2,0,0]=4 2869 B14R1.423 C=C(C)CCC(=O)Nc1ccccc1 527a_100000106764_200000688413 [0,1,0,0,1,0|2,0,0]=4 2870 B14R1.423 C=C(C)CNC(=O)Nc1ccccc1 2430a_100000106764_100000765925 [0,1,0,0,1,0|2,0,0]=4 2871 B14R1.743 C=CC(C)CC(=O)Cc1ccccc1 1458a_100011934298_100015291786 [0,1,0,0,1,0|1,0,1]=4 2872 B14R1.743 C=CC(C)CC(=O)Nc1ccccc1 11a_100000106764_100011934298 [0,1,0,0,1,0|2,0,0]=4 2873 B14R1.743 C=CC(C)CC(=O)Nc1ccccc1 1626a_100000106764_100011934298 [0,1,0,0,1,0|2,0,0]=4 2874 B14R1.743 C=CC(C)CC(=O)Nc1ccccc1 22a_100000106764_100011934298 [0,1,0,0,1,0|2,0,0]=4 2875 B14R1.743 C=CC(C)CC(=O)Nc1ccccc1 527a_100000106764_100011934298 [0,1,0,0,1,0|2,0,0]=4 2876 B14R1.946 C=CCCC(=O)Cc1ccccc1Br 1458a_100000749702_100000184730 [0,1,0,0,1,0|1,0,1]=4 2877 B14R1.946 C=CCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000754431 [0,1,0,0,1,0|1,0,1]=4 2878 B14R1.946 C=CCCC(=O)Cc1ccccc1C 1458a_100000212180_100000754431 [0,1,0,0,1,0|1,0,1]=4 2879 B14R1.946 C=CCCC(=O)Cc1ccccc1C 1458a_100000749702_100000211839 [0,1,0,0,1,0|1,0,1]=4 2880 B14R1.946 C=CCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000754431 [0,1,0,0,1,0|1,0,1]=4 2881 B14R1.946 C=CCCC(=O)Cc1ccccc1Cl 1458a_100000749702_100000187162 [0,1,0,0,1,0|1,0,1]=4 2882 B14R1.946 C=CCCC(=O)Cc1ccccc1F 1458a_100000212012_100000754431 [0,1,0,0,1,0|1,0,1]=4 2883 B14R1.946 C=CCCC(=O)Cc1ccccc1F 1458a_100000749702_100000187165 [0,1,0,0,1,0|1,0,1]=4 2884 B14R1.946 C=CCCC(=O)Cc1ccccc1I 1458a_100000036491_100000754431 [0,1,0,0,1,0|1,0,1]=4 2885 B14R1.946 C=CCCC(=O)Cc1ccccc1I 1458a_100000749702_100011216222 [0,1,0,0,1,0|1,0,1]=4 2886 B14R1.946 C=CCCC(=O)Cc1ccccc1O 1458a_100000743006_100000754431 [0,1,0,0,1,0|1,0,1]=4 2887 B14R1.946 C=CCCC(=O)Nc1ccccc1Br 11a_100000210017_100000749702 [0,1,0,0,1,0|2,0,0]=4 2888 B14R1.946 C=CCCC(=O)Nc1ccccc1Br 1626a_100000210017_100000749702 [0,1,0,0,1,0|2,0,0]=4 2889 B14R1.946 C=CCCC(=O)Nc1ccccc1C 11a_100015192222_100000749702 [0,1,0,0,1,0|2,0,0]=4 2890 B14R1.946 C=CCCC(=O)Nc1ccccc1C 1626a_100015192222_100000749702 [0,1,0,0,1,0|2,0,0]=4 2891 B14R1.946 C=CCCC(=O)Nc1ccccc1C 22a_100015192222_100000749702 [0,1,0,0,1,0|2,0,0]=4 2892 B14R1.946 C=CCCC(=O)Nc1ccccc1C 527a_100015192222_100000749702 [0,1,0,0,1,0|2,0,0]=4 2893 B14R1.946 C=CCCC(=O)Nc1ccccc1Cl 11a_100000185783_100000749702 [0,1,0,0,1,0|2,0,0]=4 2894 B14R1.946 C=CCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000749702 [0,1,0,0,1,0|2,0,0]=4 2895 B14R1.946 C=CCCC(=O)Nc1ccccc1Cl 22a_100000185783_100000749702 [0,1,0,0,1,0|2,0,0]=4 2896 B14R1.946 C=CCCC(=O)Nc1ccccc1Cl 527a_100000185783_100000749702 [0,1,0,0,1,0|2,0,0]=4 2897 B14R1.946 C=CCCC(=O)Nc1ccccc1F 11a_100000210422_100000749702 [0,1,0,0,1,0|2,0,0]=4 2898 B14R1.946 C=CCCC(=O)Nc1ccccc1F 1626a_100000210422_100000749702 [0,1,0,0,1,0|2,0,0]=4 2899 B14R1.946 C=CCCC(=O)Nc1ccccc1F 22a_100000210422_100000749702 [0,1,0,0,1,0|2,0,0]=4 2900 B14R1.946 C=CCCC(=O)Nc1ccccc1F 527a_100000210422_100000749702 [0,1,0,0,1,0|2,0,0]=4 2901 B14R1.946 C=CCCC(=O)Nc1ccccc1I 11a_100000210053_100000749702 [0,1,0,0,1,0|2,0,0]=4 2902 B14R1.946 C=CCCC(=O)Nc1ccccc1I 1626a_100000210053_100000749702 [0,1,0,0,1,0|2,0,0]=4 2903 B14R1.946 C=CCCC(=O)Nc1ccccc1O 22a_100000185747_100000749702 [0,1,0,0,1,0|2,0,0]=4 2904 B14R1.946 C=CCCC(=O)Nc1ccccc1O 527a_100000185747_100000749702 [0,1,0,0,1,0|2,0,0]=4 2905 B14R1.946 C=CCNC(=O)Cc1ccccc1Br 240690a_100020586998_100000751119 [0,1,0,0,1,0|1,0,1]=4 2906 B14R1.946 C=CCNC(=O)Cc1ccccc1Br 527a_100020586998_100000751119 [0,1,0,0,1,0|1,0,1]=4 2907 B14R1.946 C=CCNC(=O)Cc1ccccc1C 1626a_100020586998_100000212180 [0,1,0,0,1,0|1,0,1]=4 2908 B14R1.946 C=CCNC(=O)Cc1ccccc1C 240690a_100020586998_100000212180 [0,1,0,0,1,0|1,0,1]=4 2909 B14R1.946 C=CCNC(=O)Cc1ccccc1C 527a_100020586998_100000212180 [0,1,0,0,1,0|1,0,1]=4 2910 B14R1.946 C=CCNC(=O)Cc1ccccc1Cl 1626a_100020586998_100000183793 [0,1,0,0,1,0|1,0,1]=4 2911 B14R1.946 C=CCNC(=O)Cc1ccccc1Cl 240690a_100020586998_100000183793 [0,1,0,0,1,0|1,0,1]=4 2912 B14R1.946 C=CCNC(=O)Cc1ccccc1Cl 527a_100020586998_100000183793 [0,1,0,0,1,0|1,0,1]=4 2913 B14R1.946 C=CCNC(=O)Cc1ccccc1F 1626a_100020586998_100000212012 [0,1,0,0,1,0|1,0,1]=4 2914 B14R1.946 C=CCNC(=O)Cc1ccccc1F 240690a_100020586998_100000212012 [0,1,0,0,1,0|1,0,1]=4 2915 B14R1.946 C=CCNC(=O)Cc1ccccc1F 527a_100020586998_100000212012 [0,1,0,0,1,0|1,0,1]=4 2916 B14R1.946 C=CCNC(=O)Cc1ccccc1I 1626a_100020586998_100000036491 [0,1,0,0,1,0|1,0,1]=4 2917 B14R1.946 C=CCNC(=O)Cc1ccccc1I 240690a_100020586998_100000036491 [0,1,0,0,1,0|1,0,1]=4 2918 B14R1.946 C=CCNC(=O)Cc1ccccc1I 527a_100020586998_100000036491 [0,1,0,0,1,0|1,0,1]=4 2919 B14R1.946 C=CCNC(=O)Cc1ccccc1O 240690a_100020586998_100000743006 [0,1,0,0,1,0|1,0,1]=4 2920 B14R1.946 C=CCNC(=O)Cc1ccccc1O 527a_100020586998_100000743006 [0,1,0,0,1,0|1,0,1]=4 2921 B14R1.946 C=CCNC(=O)Nc1ccccc1Br 2430a_100000210017_100020586998 [0,1,0,0,1,0|2,0,0]=4 2922 B14R1.946 C=CCNC(=O)Nc1ccccc1C 2430a_100015192222_100020586998 [0,1,0,0,1,0|2,0,0]=4 2923 B14R1.946 C=CCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100020586998 [0,1,0,0,1,0|2,0,0]=4 2924 B14R1.946 C=CCNC(=O)Nc1ccccc1F 2430a_100000210422_100020586998 [0,1,0,0,1,0|2,0,0]=4 2925 B14R1.946 C=CCNC(=O)Nc1ccccc1I 2430a_100000210053_100020586998 [0,1,0,0,1,0|2,0,0]=4 2926 B14R1.946 C=CCNC(=O)Nc1ccccc1O 2430a_100000185747_100020586998 [0,1,0,0,1,0|2,0,0]=4 2927 B14R1.86 C=CCCCC(=O)C=Cc1cccs1 1458a_100000182767_100000757094 [0,1,0,0,1,0|2,0,0]=4 2928 B14R1.86 C=CCCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000757094 [0,1,0,0,1,0|2,0,0]=4 2929 B14R1.86 C=CCCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000757094 [0,1,0,0,1,0|2,0,0]=4 2930 B14R1.86 C=CCCNC(=O)C=Cc1cccs1 11a_100015191253_100000182767 [0,1,0,0,1,0|2,0,0]=4 2931 B14R1.86 C=CCCNC(=O)C=Cc1cccs1 1626a_100015191253_100000182767 [0,1,0,0,1,0|2,0,0]=4 2932 B14R1.86 C=CCCNC(=O)C=Cc1cccs1 240690a_100015191253_100000182767 [0,1,0,0,1,0|2,0,0]=4 2933 B14R1.86 C=CCCNC(=O)C=Cc1ccoc1 11a_100015191253_100000238621 [0,1,0,0,1,0|2,0,0]=4 2934 B14R1.86 C=CCCNC(=O)C=Cc1ccoc1 1626a_100015191253_100000238621 [0,1,0,0,1,0|2,0,0]=4 2935 B14R1.86 C=CCCNC(=O)C=Cc1ccoc1 240690a_100015191253_100000238621 [0,1,0,0,1,0|2,0,0]=4 2936 B14R1.86 C=CCCNC(=O)C=Cc1ccsc1 11a_100015191253_100000698588 [0,1,0,0,1,0|2,0,0]=4 2937 B14R1.86 C=CCCNC(=O)C=Cc1ccsc1 1626a_100015191253_100000698588 [0,1,0,0,1,0|2,0,0]=4 2938 B14R1.86 C=CCCNC(=O)C=Cc1ccsc1 240690a_100015191253_100000698588 [0,1,0,0,1,0|2,0,0]=4 2939 B14R1.86 C=CCCNC(=O)C=Cc1ccsc1 527a_100015191253_100000698588 [0,1,0,0,1,0|2,0,0]=4 2940 B14R1.86 C=CCNNC(=O)C=Cc1ccco1 22a_100020588587_100000720202 [0,1,0,0,1,0|2,0,0]=4 2941 B14R1.86 C=CCNNC(=O)C=Cc1cccs1 22a_100020588587_100000182767 [0,1,0,0,1,0|2,0,0]=4 2942 B14R1.86 C=CCNNC(=O)C=Cc1ccoc1 22a_100020588587_100000238621 [0,1,0,0,1,0|2,0,0]=4 2943 B14R1.86 C=CCNNC(=O)C=Cc1ccsc1 22a_100020588587_100000698588 [0,1,0,0,1,0|2,0,0]=4 2944 B14R1.86 C=COCCC(=O)C=Cc1cccs1 1458a_100000182767_100000039644 [0,1,0,0,1,0|2,0,0]=4 2945 B14R1.86 C=COCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000039644 [0,1,0,0,1,0|2,0,0]=4 2946 B14R1.86 C=COCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000039644 [0,1,0,0,1,0|2,0,0]=4 2947 B14R1.155 C=CCCC(=O)C=Cc1cc(c[nH]1)I 6a_100000071964_100000762624 [0,1,0,0,1,0|2,0,0]=4 2948 B14R1.155 C=CCCC(=O)C=Cc1cc(co1)Br 6a_100000747035_100000762624 [0,1,0,0,1,0|2,0,0]=4 2949 B14R1.155 C=CCCC(=O)C=Cc1cc(cs1)Br 1458a_100102601599_100000754431 [0,1,0,0,1,0|2,0,0]=4 2950 B14R1.155 C=CCCC(=O)C=Cc1cc(cs1)Br 6a_100000211722_100000762624 [0,1,0,0,1,0|2,0,0]=4 2951 B14R1.155 C=CCCC(=O)C=Cc1cc(cs1)I 6a_100010179861_100000762624 [0,1,0,0,1,0|2,0,0]=4 2952 B14R1.155 C=CCCC(=O)C=Cc1ccc(o1)Br 1458a_100000182240_100000754431 [0,1,0,0,1,0|2,0,0]=4 2953 B14R1.155 C=CCCC(=O)C=Cc1ccc(o1)C 1458a_100000183563_100000754431 [0,1,0,0,1,0|2,0,0]=4 2954 B14R1.155 C=CCCC(=O)C=Cc1ccc(o1)I 1458a_100000679848_100000754431 [0,1,0,0,1,0|2,0,0]=4 2955 B14R1.155 C=CCCC(=O)C=Cc1ccc(o1)I 6a_100000186757_100000762624 [0,1,0,0,1,0|2,0,0]=4 2956 B14R1.155 C=CCCC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_100000754431 [0,1,0,0,1,0|2,0,0]=4 2957 B14R1.155 C=CCCC(=O)C=Cc1ccc(s1)C 1458a_100102558089_100000754431 [0,1,0,0,1,0|2,0,0]=4 2958 B14R1.155 C=CCCC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_100000754431 [0,1,0,0,1,0|2,0,0]=4 2959 B14R1.155 C=CCCC(=O)C=Cc1csc(c1)Br 6a_100000737087_100000762624 [0,1,0,0,1,0|2,0,0]=4 2960 B14R1.155 C=CCNC(=O)C=Cc1cc(cs1)Br 1626a_100020586998_100102601599 [0,1,0,0,1,0|2,0,0]=4 2961 B14R1.155 C=CCNC(=O)C=Cc1cc(cs1)Br 240690a_100020586998_100102601599 [0,1,0,0,1,0|2,0,0]=4 2962 B14R1.155 C=CCNC(=O)C=Cc1ccc(o1)Br 240690a_100020586998_100000182240 [0,1,0,0,1,0|2,0,0]=4 2963 B14R1.155 C=CCNC(=O)C=Cc1ccc(o1)C 1626a_100020586998_100000183563 [0,1,0,0,1,0|2,0,0]=4 2964 B14R1.155 C=CCNC(=O)C=Cc1ccc(o1)C 240690a_100020586998_100000183563 [0,1,0,0,1,0|2,0,0]=4 2965 B14R1.155 C=CCNC(=O)C=Cc1ccc(o1)C 527a_100020586998_100000183563 [0,1,0,0,1,0|2,0,0]=4 2966 B14R1.155 C=CCNC(=O)C=Cc1ccc(o1)I 1626a_100020586998_100000679848 [0,1,0,0,1,0|2,0,0]=4 2967 B14R1.155 C=CCNC(=O)C=Cc1ccc(o1)I 240690a_100020586998_100000679848 [0,1,0,0,1,0|2,0,0]=4 2968 B14R1.155 C=CCNC(=O)C=Cc1ccc(s1)Br 1626a_100020586998_100102558031 [0,1,0,0,1,0|2,0,0]=4 2969 B14R1.155 C=CCNC(=O)C=Cc1ccc(s1)Br 240690a_100020586998_100102558031 [0,1,0,0,1,0|2,0,0]=4 2970 B14R1.155 C=CCNC(=O)C=Cc1ccc(s1)C 1626a_100020586998_100102558089 [0,1,0,0,1,0|2,0,0]=4 2971 B14R1.155 C=CCNC(=O)C=Cc1ccc(s1)C 240690a_100020586998_100102558089 [0,1,0,0,1,0|2,0,0]=4 2972 B14R1.155 C=CCNC(=O)C=Cc1ccc(s1)Cl 1626a_100020586998_100102558157 [0,1,0,0,1,0|2,0,0]=4 2973 B14R1.155 C=CCNC(=O)C=Cc1ccc(s1)Cl 240690a_100020586998_100102558157 [0,1,0,0,1,0|2,0,0]=4 2974 B14R1.454 C=CCCC(=O)C(=Cc1ccco1)C 1458a_100011995979_100000754431 [0,1,0,0,1,0|2,0,0]=4 2975 B14R1.454 C=CCNC(=O)C(=Cc1ccco1)C 1626a_100020586998_100011995979 [0,1,0,0,1,0|2,0,0]=4 2976 B14R1.454 C=CCNC(=O)C(=Cc1ccco1)C 527a_100020586998_100011995979 [0,1,0,0,1,0|2,0,0]=4 2977 B14R1.633 C=CCN(C)C(=O)C=Cc1cccs1 11a_100000225617_100000182767 [0,1,0,0,1,0|2,0,0]=4 2978 B14R1.633 C=CCN(C)C(=O)C=Cc1cccs1 1626a_100000225617_100000182767 [0,1,0,0,1,0|2,0,0]=4 2979 B14R1.633 C=CCN(C)C(=O)C=Cc1cccs1 240690a_100000225617_100000182767 [0,1,0,0,1,0|2,0,0]=4 2980 B14R1.633 C=CCN(C)C(=O)C=Cc1ccoc1 11a_100000225617_100000238621 [0,1,0,0,1,0|2,0,0]=4 2981 B14R1.633 C=CCN(C)C(=O)C=Cc1ccoc1 1626a_100000225617_100000238621 [0,1,0,0,1,0|2,0,0]=4 2982 B14R1.633 C=CCN(C)C(=O)C=Cc1ccoc1 240690a_100000225617_100000238621 [0,1,0,0,1,0|2,0,0]=4 2983 B14R1.633 C=CCN(C)C(=O)C=Cc1ccsc1 11a_100000225617_100000698588 [0,1,0,0,1,0|2,0,0]=4 2984 B14R1.633 C=CCN(C)C(=O)C=Cc1ccsc1 1626a_100000225617_100000698588 [0,1,0,0,1,0|2,0,0]=4 2985 B14R1.633 C=CCN(C)C(=O)C=Cc1ccsc1 240690a_100000225617_100000698588 [0,1,0,0,1,0|2,0,0]=4 2986 B14R1.633 C=CCN(C)C(=O)C=Cc1ccsc1 527a_100000225617_100000698588 [0,1,0,0,1,0|2,0,0]=4 2987 B14R1.916 C=CCCC(=O)C=Cc1sccc1C 1458a_100000185125_100000754431 [0,1,0,0,1,0|2,0,0]=4 2988 B14R1.916 C=CCNC(=O)C=Cc1sccc1C 1626a_100020586998_100000185125 [0,1,0,0,1,0|2,0,0]=4 2989 B14R1.916 C=CCNC(=O)C=Cc1sccc1C 240690a_100020586998_100000185125 [0,1,0,0,1,0|2,0,0]=4 2990 B14R1.916 C=CCNC(=O)C=Cc1sccc1C 527a_100020586998_100000185125 [0,1,0,0,1,0|2,0,0]=4 2991 B14R1.4526 C=C(C)CCC(=O)C=Cc1cccs1 1458a_100000182767_100000730704 [0,1,0,0,1,0|2,0,0]=4 2992 B14R1.4526 C=C(C)CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000730704 [0,1,0,0,1,0|2,0,0]=4 2993 B14R1.4526 C=C(C)CCC(=O)C=Cc1ccsc1 1458a_100000698588_100000730704 [0,1,0,0,1,0|2,0,0]=4 2994 B14R1.4526 C=C(C)CNC(=O)C=Cc1cccs1 11a_100000765925_100000182767 [0,1,0,0,1,0|2,0,0]=4 2995 B14R1.4526 C=C(C)CNC(=O)C=Cc1cccs1 1626a_100000765925_100000182767 [0,1,0,0,1,0|2,0,0]=4 2996 B14R1.4526 C=C(C)CNC(=O)C=Cc1cccs1 240690a_100000765925_100000182767 [0,1,0,0,1,0|2,0,0]=4 2997 B14R1.4526 C=C(C)CNC(=O)C=Cc1ccoc1 11a_100000765925_100000238621 [0,1,0,0,1,0|2,0,0]=4 2998 B14R1.4526 C=C(C)CNC(=O)C=Cc1ccoc1 1626a_100000765925_100000238621 [0,1,0,0,1,0|2,0,0]=4 2999 B14R1.4526 C=C(C)CNC(=O)C=Cc1ccoc1 240690a_100000765925_100000238621 [0,1,0,0,1,0|2,0,0]=4 3000 B14R1.4526 C=C(C)CNC(=O)C=Cc1ccsc1 11a_100000765925_100000698588 [0,1,0,0,1,0|2,0,0]=4 3001 B14R1.4526 C=C(C)CNC(=O)C=Cc1ccsc1 1626a_100000765925_100000698588 [0,1,0,0,1,0|2,0,0]=4 3002 B14R1.4526 C=C(C)CNC(=O)C=Cc1ccsc1 240690a_100000765925_100000698588 [0,1,0,0,1,0|2,0,0]=4 3003 B14R1.4526 C=C(C)CNC(=O)C=Cc1ccsc1 527a_100000765925_100000698588 [0,1,0,0,1,0|2,0,0]=4 3004 B16R1.8 C=CCOC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000033060 [0,1,0,0,0,1|0,0,2]=4 3005 B16R1.8 C=CCOC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000033060 [0,1,0,0,0,1|0,0,2]=4 3006 B16R1.8 C=CCOC(=O)CNCc1ccc(cc1)C 2230a_100000174908_100000033060 [0,1,0,0,0,1|0,0,2]=4 3007 B16R1.8 C=CCOC(=O)CNCc1ccc(cc1)C 34a_100000174908_100000033060 [0,1,0,0,0,1|0,0,2]=4 3008 B16R1.8 C=CCOC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000033060 [0,1,0,0,0,1|0,0,2]=4 3009 B16R1.8 C=CCOC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000033060 [0,1,0,0,0,1|0,0,2]=4 3010 B16R1.8 C=CCOC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000033060 [0,1,0,0,0,1|0,0,2]=4 3011 B16R1.8 C=CCOC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000033060 [0,1,0,0,0,1|0,0,2]=4 3012 B16R1.8 C=CCOC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000033060 [0,1,0,0,0,1|0,0,2]=4 3013 B16R1.8 C=CCOC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000033060 [0,1,0,0,0,1|0,0,2]=4 3014 B16R1.8 C=CCOC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000033060 [0,1,0,0,0,1|0,0,2]=4 3015 B16R1.8 C=CCOC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000033060 [0,1,0,0,0,1|0,0,2]=4 3016 B16R1.8 C=CCOC(=O)COCc1ccc(cc1)C 34a_100011215236_100000033060 [0,1,0,0,0,1|0,0,2]=4 3017 B16R1.8 C=CCOC(=O)COCc1ccc(cc1)C 7a_100011215236_100000033060 [0,1,0,0,0,1|0,0,2]=4 3018 B16R1.8 C=CCOC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000033060 [0,1,0,0,0,1|0,0,2]=4 3019 B16R1.8 C=CCOC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000033060 [0,1,0,0,0,1|0,0,2]=4 3020 B16R1.8 C=CCOC(=O)COCc1ccc(cc1)F 34a_100000210977_100000033060 [0,1,0,0,0,1|0,0,2]=4 3021 B16R1.8 C=CCOC(=O)COCc1ccc(cc1)F 7a_100000210977_100000033060 [0,1,0,0,0,1|0,0,2]=4 3022 B16R1.8 C=CCOC(=O)COCc1ccc(cc1)I 34a_100000690907_100000033060 [0,1,0,0,0,1|0,0,2]=4 3023 B16R1.8 C=CCOC(=O)COCc1ccc(cc1)I 7a_100000690907_100000033060 [0,1,0,0,0,1|0,0,2]=4 3024 B16R1.8 C=CCOC(=O)COCc1ccc(cc1)N 34a_100011215238_100000033060 [0,1,0,0,0,1|0,0,2]=4 3025 B16R1.8 C=CCOC(=O)CSCc1ccc(cc1)Br 62a_100000033060_100000189115 [0,1,0,0,0,1|0,0,2]=4 3026 B16R1.8 C=CCOC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000033060 [0,1,0,0,0,1|0,0,2]=4 3027 B16R1.8 C=CCOC(=O)CSCc1ccc(cc1)C 62a_100000033060_100000210814 [0,1,0,0,0,1|0,0,2]=4 3028 B16R1.8 C=CCOC(=O)CSCc1ccc(cc1)C 62a_100000210814_100000033060 [0,1,0,0,0,1|0,0,2]=4 3029 B16R1.8 C=CCOC(=O)CSCc1ccc(cc1)Cl 62a_100000033060_100000187161 [0,1,0,0,0,1|0,0,2]=4 3030 B16R1.8 C=CCOC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000033060 [0,1,0,0,0,1|0,0,2]=4 3031 B16R1.8 C=CCOC(=O)CSCc1ccc(cc1)F 62a_100000033060_100000187164 [0,1,0,0,0,1|0,0,2]=4 3032 B16R1.8 C=CCOC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000033060 [0,1,0,0,0,1|0,0,2]=4 3033 B16R1.8 C=CCOC(=O)CSCc1ccc(cc1)I 62a_100000033060_100000189116 [0,1,0,0,0,1|0,0,2]=4 3034 B16R1.8 C=CCOC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000033060 [0,1,0,0,0,1|0,0,2]=4 3035 B16R1.119 C=CCOC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000033060 [0,1,0,0,0,1|0,0,2]=4 3036 B16R1.119 C=CCOC(=O)CNCc1cccc(c1)Br 34a_100000174977_100000033060 [0,1,0,0,0,1|0,0,2]=4 3037 B16R1.119 C=CCOC(=O)CNCc1cccc(c1)C 2230a_100000185548_100000033060 [0,1,0,0,0,1|0,0,2]=4 3038 B16R1.119 C=CCOC(=O)CNCc1cccc(c1)C 34a_100000185548_100000033060 [0,1,0,0,0,1|0,0,2]=4 3039 B16R1.119 C=CCOC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000033060 [0,1,0,0,0,1|0,0,2]=4 3040 B16R1.119 C=CCOC(=O)CNCc1cccc(c1)Cl 34a_100000174878_100000033060 [0,1,0,0,0,1|0,0,2]=4 3041 B16R1.119 C=CCOC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000033060 [0,1,0,0,0,1|0,0,2]=4 3042 B16R1.119 C=CCOC(=O)CNCc1cccc(c1)F 34a_100000174948_100000033060 [0,1,0,0,0,1|0,0,2]=4 3043 B16R1.119 C=CCOC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000033060 [0,1,0,0,0,1|0,0,2]=4 3044 B16R1.119 C=CCOC(=O)CNCc1cccc(c1)I 34a_100000106179_100000033060 [0,1,0,0,0,1|0,0,2]=4 3045 B16R1.119 C=CCOC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000033060 [0,1,0,0,0,1|0,0,2]=4 3046 B16R1.119 C=CCOC(=O)CNCc1cccc(c1)O 34a_100000743036_100000033060 [0,1,0,0,0,1|0,0,2]=4 3047 B16R1.119 C=CCOC(=O)COCc1cccc(c1)Br 34a_100000687537_100000033060 [0,1,0,0,0,1|0,0,2]=4 3048 B16R1.119 C=CCOC(=O)COCc1cccc(c1)Br 7a_100000687537_100000033060 [0,1,0,0,0,1|0,0,2]=4 3049 B16R1.119 C=CCOC(=O)COCc1cccc(c1)C 34a_100011217746_100000033060 [0,1,0,0,0,1|0,0,2]=4 3050 B16R1.119 C=CCOC(=O)COCc1cccc(c1)C 7a_100011217746_100000033060 [0,1,0,0,0,1|0,0,2]=4 3051 B16R1.119 C=CCOC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000033060 [0,1,0,0,0,1|0,0,2]=4 3052 B16R1.119 C=CCOC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000033060 [0,1,0,0,0,1|0,0,2]=4 3053 B16R1.119 C=CCOC(=O)COCc1cccc(c1)F 34a_100000210976_100000033060 [0,1,0,0,0,1|0,0,2]=4 3054 B16R1.119 C=CCOC(=O)COCc1cccc(c1)F 7a_100000210976_100000033060 [0,1,0,0,0,1|0,0,2]=4 3055 B16R1.119 C=CCOC(=O)COCc1cccc(c1)I 34a_100011215336_100000033060 [0,1,0,0,0,1|0,0,2]=4 3056 B16R1.119 C=CCOC(=O)COCc1cccc(c1)I 7a_100011215336_100000033060 [0,1,0,0,0,1|0,0,2]=4 3057 B16R1.119 C=CCOC(=O)COCc1cccc(c1)N 34a_100000211919_100000033060 [0,1,0,0,0,1|0,0,2]=4 3058 B16R1.119 C=CCOC(=O)CSCc1cccc(c1)Br 62a_100000033060_100000211773 [0,1,0,0,0,1|0,0,2]=4 3059 B16R1.119 C=CCOC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000033060 [0,1,0,0,0,1|0,0,2]=4 3060 B16R1.119 C=CCOC(=O)CSCc1cccc(c1)C 62a_100000033060_100000211840 [0,1,0,0,0,1|0,0,2]=4 3061 B16R1.119 C=CCOC(=O)CSCc1cccc(c1)C 62a_100000211840_100000033060 [0,1,0,0,0,1|0,0,2]=4 3062 B16R1.119 C=CCOC(=O)CSCc1cccc(c1)Cl 62a_100000033060_100000187163 [0,1,0,0,0,1|0,0,2]=4 3063 B16R1.119 C=CCOC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000033060 [0,1,0,0,0,1|0,0,2]=4 3064 B16R1.119 C=CCOC(=O)CSCc1cccc(c1)F 62a_100000033060_100000230114 [0,1,0,0,0,1|0,0,2]=4 3065 B16R1.119 C=CCOC(=O)CSCc1cccc(c1)F 62a_100000230114_100000033060 [0,1,0,0,0,1|0,0,2]=4 3066 B16R1.119 C=CCOC(=O)CSCc1cccc(c1)I 62a_100000033060_100011218688 [0,1,0,0,0,1|0,0,2]=4 3067 B16R1.119 C=CCOC(=O)CSCc1cccc(c1)I 62a_100011218688_100000033060 [0,1,0,0,0,1|0,0,2]=4 3068 B16R1.119 C=CCOC(=O)CSCc1cccc(c1)O 62a_100000033060_100011660834 [0,1,0,0,0,1|0,0,2]=4 3069 B16R1.119 C=CCOC(=O)CSCc1cccc(c1)O 62a_100011660834_100000033060 [0,1,0,0,0,1|0,0,2]=4 3070 B16R1.700 C=CCCC(=O)CCC(=O)c1ccccc1 1458a_100000749702_100000750707 [0,1,0,0,0,1|1,0,1]=4 3071 B16R1.700 C=CCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000754431 [0,1,0,0,0,1|1,0,1]=4 3072 B16R1.700 C=CCCC(=O)COC(=O)c1ccccc1 1458a_100000749702_100000073877 [0,1,0,0,0,1|1,0,1]=4 3073 B16R1.700 C=CCCC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000754431 [0,1,0,0,0,1|1,0,1]=4 3074 B16R1.700 C=CCCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000749702 [0,1,0,0,0,1|2,0,0]=4 3075 B16R1.700 C=CCNC(=O)CNC(=O)c1ccccc1 1626a_100020586998_100000182045 [0,1,0,0,0,1|1,0,1]=4 3076 B16R1.700 C=CCNC(=O)CNC(=O)c1ccccc1 240690a_100020586998_100000182045 [0,1,0,0,0,1|1,0,1]=4 3077 B16R1.700 C=CCNC(=O)CNC(=O)c1ccccc1 527a_100020586998_100000182045 [0,1,0,0,0,1|1,0,1]=4 3078 B16R1.700 C=CCNC(=O)CSC(=S)c1ccccc1 1626a_100020586998_100000043459 [0,1,0,0,0,1|1,0,1]=4 3079 B16R1.700 C=CCNC(=O)CSC(=S)c1ccccc1 240690a_100020586998_100000043459 [0,1,0,0,0,1|1,0,1]=4 3080 B16R1.700 C=CCNC(=O)CSC(=S)c1ccccc1 527a_100020586998_100000043459 [0,1,0,0,0,1|1,0,1]=4 3081 B16R1.700 C=CCNC(=O)NNC(=O)c1ccccc1 273464a_100020586998_100000184135 [0,1,0,0,0,1|2,0,0]=4 3082 B16R1.700 C=CCNC(=O)NNC(=O)c1ccccc1 512a_100000184135_100020586998 [0,1,0,0,0,1|2,0,0]=4 3083 B16R1.700 C=CCOC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000033060 [0,1,0,0,0,1|0,0,2]=4 3084 B16R1.700 C=CCOC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000033060 [0,1,0,0,0,1|0,0,2]=4 3085 B16R1.700 C=CCOC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000033060 [0,1,0,0,0,1|0,0,2]=4 3086 B16R1.700 C=CCOC(=O)CSC(C)c1ccccc1 62a_100000033060_100000230085 [0,1,0,0,0,1|0,0,2]=4 3087 B16R1.700 C=CCOC(=O)CSC(C)c1ccccc1 62a_100000230085_100000033060 [0,1,0,0,0,1|0,0,2]=4 3088 B16R1.849 C=CC(C)CC(=O)C/C=C/c1ccccc1 1458a_100011934298_100016265936 [0,1,0,0,0,1|1,0,0]=3 3089 B16R1.1497 C=CCCC(=O)CC(=O)Cc1ccccc1 1458a_100000749702_100000233483 [0,1,0,0,0,1|1,0,1]=4 3090 B16R1.1497 C=CCCC(=O)CC(=O)Nc1ccccc1 1458a_100000749702_100000182850 [0,1,0,0,0,1|1,0,1]=4 3091 B16R1.1497 C=CCCC(=O)CC(=O)Oc1ccccc1 1458a_100000749702_100009813826 [0,1,0,0,0,1|1,0,1]=4 3092 B16R1.1497 C=CCNC(=O)CC(=O)Oc1ccccc1 240690a_100020586998_200000075362 [0,1,0,0,0,1|1,0,1]=4 3093 B16R1.1497 C=CCOC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000033060 [0,1,0,0,0,1|1,0,1]=4 3094 B16R1.1497 C=CCOC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000033060 [0,1,0,0,0,1|1,0,1]=4 3095 B16R1.1497 C=CCOC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000033060 [0,1,0,0,0,1|1,0,1]=4 3096 B16R1.1497 C=CCOC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000033060 [0,1,0,0,0,1|0,0,2]=4 3097 B16R1.1497 C=CCOC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000033060 [0,1,0,0,0,1|0,0,2]=4 3098 B16R1.1694 C#CCOCC(=O)C/C=C/c1ccccc1 1458a_100011251226_100016265936 [0,1,0,0,0,1|0,0,2]=4 3099 B16R1.1694 C/C=C/C=CC(=O)C/C=C/c1ccccc1 1458a_100000185730_100016265936 [0,1,0,0,0,1|1,0,1]=4 3100 B16R1.1694 C=CCCCC(=O)C/C=C/c1ccccc1 1458a_100000766728_100016265936 [0,1,0,0,0,1|1,0,0]=3 3101 B16R1.1694 C=CCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000757094 [0,1,0,0,0,1|1,0,0]=3 3102 B16R1.1694 C=CCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000757094 [0,1,0,0,0,1|1,0,0]=3 3103 B16R1.1694 C=CCCNC(=O)C/C=C/c1ccccc1 11a_100015191253_100011219626 [0,1,0,0,0,1|1,0,0]=3 3104 B16R1.1694 C=CCCNC(=O)C/C=C/c1ccccc1 1626a_100015191253_100011219626 [0,1,0,0,0,1|1,0,0]=3 3105 B16R1.1694 C=CCCNC(=O)C/C=C/c1ccccc1 240690a_100015191253_100011219626 [0,1,0,0,0,1|1,0,0]=3 3106 B16R1.1694 C=CCCNC(=O)C=CSc1ccccc1 11a_100015191253_100016262050 [0,1,0,0,0,1|1,0,0]=3 3107 B16R1.1694 C=CCCNC(=O)C=CSc1ccccc1 1626a_100015191253_100016262050 [0,1,0,0,0,1|1,0,0]=3 3108 B16R1.1694 C=CCCNC(=O)C=CSc1ccccc1 240690a_100015191253_100016262050 [0,1,0,0,0,1|1,0,0]=3 3109 B16R1.1694 C=CCNNC(=O)C/C=C/c1ccccc1 22a_100020588587_100011219626 [0,1,0,0,0,1|1,0,0]=3 3110 B16R1.1694 C=CCNNC(=O)C=CSc1ccccc1 22a_100020588587_100016262050 [0,1,0,0,0,1|1,0,0]=3 3111 B16R1.1694 C=CCOCC(=O)NCCc1ccccc1 34a_200000210373_100000183012 [0,1,0,0,0,1|0,0,2]=4 3112 B16R1.1694 C=CCOCC(=O)NOCc1ccccc1 34a_200000210373_100000230105 [0,1,0,0,0,1|1,0,1]=4 3113 B16R1.1694 C=CCOCC(=O)OCCc1ccccc1 34a_200000210373_200000077782 [0,1,0,0,0,1|0,0,2]=4 3114 B16R1.1694 C=CCSCC(=O)C/C=C/c1ccccc1 1458a_100000230395_100016265936 [0,1,0,0,0,1|0,1,0]=3 3115 B16R1.1694 C=COCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000039644 [0,1,0,0,0,1|1,0,0]=3 3116 B16R1.1694 C=COCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000039644 [0,1,0,0,0,1|1,0,0]=3 3117 B16R1.1694 CCCOCC(=O)C/C=C/c1ccccc1 1458a_100000745993_100016265936 [0,1,0,0,0,1|0,0,2]=4 3118 B16R1.1694 O=C(C/C=C/c1ccccc1)COCCO 1458a_100000708028_100016265936 [0,1,0,0,0,1|1,0,1]=4 3119 B16R1.4473 C=CCOC(=O)CNCc1ccccc1Br 2230a_100000689332_100000033060 [0,1,0,0,0,1|0,0,2]=4 3120 B16R1.4473 C=CCOC(=O)CNCc1ccccc1Br 34a_100000689332_100000033060 [0,1,0,0,0,1|0,0,2]=4 3121 B16R1.4473 C=CCOC(=O)CNCc1ccccc1C 34a_100000174972_100000033060 [0,1,0,0,0,1|0,0,2]=4 3122 B16R1.4473 C=CCOC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000033060 [0,1,0,0,0,1|0,0,2]=4 3123 B16R1.4473 C=CCOC(=O)CNCc1ccccc1Cl 34a_100000174879_100000033060 [0,1,0,0,0,1|0,0,2]=4 3124 B16R1.4473 C=CCOC(=O)CNCc1ccccc1F 34a_100000174869_100000033060 [0,1,0,0,0,1|0,0,2]=4 3125 B16R1.4473 C=CCOC(=O)CNCc1ccccc1O 34a_100000185550_100000033060 [0,1,0,0,0,1|0,0,2]=4 3126 B16R1.4473 C=CCOC(=O)COCc1ccccc1Br 34a_100000756307_100000033060 [0,1,0,0,0,1|0,0,2]=4 3127 B16R1.4473 C=CCOC(=O)COCc1ccccc1Br 7a_100000756307_100000033060 [0,1,0,0,0,1|0,0,2]=4 3128 B16R1.4473 C=CCOC(=O)COCc1ccccc1C 34a_100000698903_100000033060 [0,1,0,0,0,1|0,0,2]=4 3129 B16R1.4473 C=CCOC(=O)COCc1ccccc1C 7a_100000698903_100000033060 [0,1,0,0,0,1|0,0,2]=4 3130 B16R1.4473 C=CCOC(=O)COCc1ccccc1Cl 34a_100000210847_100000033060 [0,1,0,0,0,1|0,0,2]=4 3131 B16R1.4473 C=CCOC(=O)COCc1ccccc1Cl 7a_100000210847_100000033060 [0,1,0,0,0,1|0,0,2]=4 3132 B16R1.4473 C=CCOC(=O)COCc1ccccc1F 34a_100000211962_100000033060 [0,1,0,0,0,1|0,0,2]=4 3133 B16R1.4473 C=CCOC(=O)COCc1ccccc1F 7a_100000211962_100000033060 [0,1,0,0,0,1|0,0,2]=4 3134 B16R1.4473 C=CCOC(=O)COCc1ccccc1I 34a_100000187465_100000033060 [0,1,0,0,0,1|0,0,2]=4 3135 B16R1.4473 C=CCOC(=O)COCc1ccccc1I 7a_100000187465_100000033060 [0,1,0,0,0,1|0,0,2]=4 3136 B16R1.4473 C=CCOC(=O)COCc1ccccc1N 34a_100000212039_100000033060 [0,1,0,0,0,1|0,0,2]=4 3137 B16R1.4473 C=CCOC(=O)CSCc1ccccc1Br 62a_100000033060_100000184730 [0,1,0,0,0,1|0,0,2]=4 3138 B16R1.4473 C=CCOC(=O)CSCc1ccccc1Br 62a_100000184730_100000033060 [0,1,0,0,0,1|0,0,2]=4 3139 B16R1.4473 C=CCOC(=O)CSCc1ccccc1C 62a_100000033060_100000211839 [0,1,0,0,0,1|0,0,2]=4 3140 B16R1.4473 C=CCOC(=O)CSCc1ccccc1C 62a_100000211839_100000033060 [0,1,0,0,0,1|0,0,2]=4 3141 B16R1.4473 C=CCOC(=O)CSCc1ccccc1Cl 62a_100000033060_100000187162 [0,1,0,0,0,1|0,0,2]=4 3142 B16R1.4473 C=CCOC(=O)CSCc1ccccc1Cl 62a_100000187162_100000033060 [0,1,0,0,0,1|0,0,2]=4 3143 B16R1.4473 C=CCOC(=O)CSCc1ccccc1F 62a_100000033060_100000211605 [0,1,0,0,0,1|0,0,2]=4 3144 B16R1.4473 C=CCOC(=O)CSCc1ccccc1F 62a_100000211605_100000033060 [0,1,0,0,0,1|0,0,2]=4 3145 B16R1.4473 C=CCOC(=O)CSCc1ccccc1I 62a_100000033060_100011216222 [0,1,0,0,0,1|0,0,2]=4 3146 B16R1.4473 C=CCOC(=O)CSCc1ccccc1I 62a_100011216222_100000033060 [0,1,0,0,0,1|0,0,2]=4 3147 B16R1.14049 C=CCC(C)C(=O)C/C=C/c1ccccc1 1458a_100011216819_100016265936 [0,1,0,0,0,1|1,0,0]=3 3148 B16R1.14049 C=CCN(C)C(=O)C/C=C/c1ccccc1 11a_100000225617_100011219626 [0,1,0,0,0,1|1,0,0]=3 3149 B16R1.14049 C=CCN(C)C(=O)C/C=C/c1ccccc1 1626a_100000225617_100011219626 [0,1,0,0,0,1|1,0,0]=3 3150 B16R1.14049 C=CCN(C)C(=O)C/C=C/c1ccccc1 240690a_100000225617_100011219626 [0,1,0,0,0,1|1,0,0]=3 3151 B16R1.14049 C=CCN(C)C(=O)C=CSc1ccccc1 11a_100000225617_100016262050 [0,1,0,0,0,1|1,0,0]=3 3152 B16R1.14049 C=CCN(C)C(=O)C=CSc1ccccc1 1626a_100000225617_100016262050 [0,1,0,0,0,1|1,0,0]=3 3153 B16R1.14049 C=CCN(C)C(=O)C=CSc1ccccc1 240690a_100000225617_100016262050 [0,1,0,0,0,1|1,0,0]=3 3154 B16R1.18213 C=C(C)CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000730704 [0,1,0,0,0,1|1,0,0]=3 3155 B16R1.18213 C=C(C)CCC(=O)C/C=C/c1ccccc1 1458a_200000688413_100016265936 [0,1,0,0,0,1|1,0,0]=3 3156 B16R1.18213 C=C(C)CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000730704 [0,1,0,0,0,1|1,0,0]=3 3157 B16R1.18213 C=C(C)CNC(=O)C/C=C/c1ccccc1 11a_100000765925_100011219626 [0,1,0,0,0,1|1,0,0]=3 3158 B16R1.18213 C=C(C)CNC(=O)C/C=C/c1ccccc1 1626a_100000765925_100011219626 [0,1,0,0,0,1|1,0,0]=3 3159 B16R1.18213 C=C(C)CNC(=O)C/C=C/c1ccccc1 240690a_100000765925_100011219626 [0,1,0,0,0,1|1,0,0]=3 3160 B16R1.18213 C=C(C)CNC(=O)C=CSc1ccccc1 11a_100000765925_100016262050 [0,1,0,0,0,1|1,0,0]=3 3161 B16R1.18213 C=C(C)CNC(=O)C=CSc1ccccc1 1626a_100000765925_100016262050 [0,1,0,0,0,1|1,0,0]=3 3162 B16R1.18213 C=C(C)CNC(=O)C=CSc1ccccc1 240690a_100000765925_100016262050 [0,1,0,0,0,1|1,0,0]=3 3163 B16R1.18213 NC(=O)CCC(=O)C/C=C/c1ccccc1 1458a_100011215257_100016265936 [0,1,0,0,0,1|2,0,0]=4 3164 B16R1.18213 NC(=O)CNC(=O)C/C=C/c1ccccc1 11a_100000711301_100011219626 [0,1,0,0,0,1|2,0,0]=4 3165 B16R1.18213 NC(=O)CNC(=O)C/C=C/c1ccccc1 240690a_100000711301_100011219626 [0,1,0,0,0,1|2,0,0]=4 3166 B16R1.18213 NC(=O)CNC(=O)C=CSc1ccccc1 11a_100000711301_100016262050 [0,1,0,0,0,1|2,0,0]=4 3167 B16R1.18213 NC(=O)CNC(=O)C=CSc1ccccc1 240690a_100000711301_100016262050 [0,1,0,0,0,1|2,0,0]=4 3168 B16R1.1453 C=CCOC(=O)COc1cccccc1=O 34a_100000036025_100000033060 [0,1,0,0,0,1|1,0,1]=4 3169 B16R1.1453 C=CCOC(=O)COc1cccccc1=O 7a_100000036025_100000033060 [0,1,0,0,0,1|1,0,1]=4 3170 B16R1.35 C=CCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000757094 [0,2,0,0,0,0|1,0,0]=3 3171 B16R1.35 C=CCCCC(=O)CC(=O)c1ccccc1 1458a_100000766728_100000211460 [0,2,0,0,0,0|1,0,1]=4 3172 B16R1.35 C=CCCNC(=O)C=C(C)c1ccccc1 11a_100015191253_100000743005 [0,2,0,0,0,0|1,0,0]=3 3173 B16R1.35 C=CCCNC(=O)C=C(C)c1ccccc1 1626a_100015191253_100000743005 [0,2,0,0,0,0|1,0,0]=3 3174 B16R1.35 C=CCCNC(=O)C=C(C)c1ccccc1 240690a_100015191253_100000743005 [0,2,0,0,0,0|1,0,0]=3 3175 B16R1.35 C=CCCNC(=O)C=C(C)c1ccccc1 527a_100015191253_100000743005 [0,2,0,0,0,0|1,0,0]=3 3176 B16R1.35 C=CCNNC(=O)C=C(C)c1ccccc1 22a_100020588587_100000743005 [0,2,0,0,0,0|1,0,0]=3 3177 B16R1.35 C=CCOCC(=O)NC(C)c1ccccc1 34a_200000210373_200000243715 [0,2,0,0,0,0|1,0,1]=4 3178 B16R1.35 C=CCOCC(=O)N[C@@H](C)c1ccccc1 34a_200000210373_100011939912 [0,2,0,0,0,0|1,0,1]=4 3179 B16R1.35 C=CCSCC(=O)CC(=O)c1ccccc1 1458a_100000230395_100000211460 [0,2,0,0,0,0|0,1,1]=4 3180 B16R1.35 C=CCSCC(=O)NC(=O)c1ccccc1 62a_100000210623_100000010347 [0,2,0,0,0,0|1,1,0]=4 3181 B16R1.35 C=COCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000039644 [0,2,0,0,0,0|1,0,0]=3 3182 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000757094 [0,2,0,0,0,0|1,0,0]=3 3183 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000757094 [0,2,0,0,0,0|1,0,0]=3 3184 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000757094 [0,2,0,0,0,0|1,0,0]=3 3185 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000757094 [0,2,0,0,0,0|1,0,0]=3 3186 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000757094 [0,2,0,0,0,0|1,0,0]=3 3187 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000757094 [0,2,0,0,0,0|2,0,0]=4 3188 B16R1.51 C=CCCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000757094 [0,2,0,0,0,0|2,0,0]=4 3189 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Br 11a_100015191253_100016267368 [0,2,0,0,0,0|1,0,0]=3 3190 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100015191253_100016267368 [0,2,0,0,0,0|1,0,0]=3 3191 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)C 11a_100015191253_100000716854 [0,2,0,0,0,0|1,0,0]=3 3192 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)C 1626a_100015191253_100000716854 [0,2,0,0,0,0|1,0,0]=3 3193 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)C 240690a_100015191253_100000716854 [0,2,0,0,0,0|1,0,0]=3 3194 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100015191253_100000184863 [0,2,0,0,0,0|1,0,0]=3 3195 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100015191253_100000184863 [0,2,0,0,0,0|1,0,0]=3 3196 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100015191253_100000184863 [0,2,0,0,0,0|1,0,0]=3 3197 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)F 11a_100015191253_100000182136 [0,2,0,0,0,0|1,0,0]=3 3198 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)F 1626a_100015191253_100000182136 [0,2,0,0,0,0|1,0,0]=3 3199 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)F 240690a_100015191253_100000182136 [0,2,0,0,0,0|1,0,0]=3 3200 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)I 11a_100015191253_100102526154 [0,2,0,0,0,0|1,0,0]=3 3201 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)I 1626a_100015191253_100102526154 [0,2,0,0,0,0|1,0,0]=3 3202 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)I 240690a_100015191253_100102526154 [0,2,0,0,0,0|1,0,0]=3 3203 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)O 240690a_100015191253_100016269017 [0,2,0,0,0,0|1,0,0]=3 3204 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cn1)F 11a_100015191253_100020630499 [0,2,0,0,0,0|2,0,0]=4 3205 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cn1)F 1626a_100015191253_100020630499 [0,2,0,0,0,0|2,0,0]=4 3206 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cn1)F 240690a_100015191253_100020630499 [0,2,0,0,0,0|2,0,0]=4 3207 B16R1.51 C=CCCNC(=O)C=Cc1ccc(nc1)Br 11a_100015191253_100020588214 [0,2,0,0,0,0|2,0,0]=4 3208 B16R1.51 C=CCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100015191253_100020588214 [0,2,0,0,0,0|2,0,0]=4 3209 B16R1.51 C=CCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100015191253_100020588214 [0,2,0,0,0,0|2,0,0]=4 3210 B16R1.51 C=CCNNC(=O)C=Cc1ccc(cc1)Br 22a_100020588587_100016267368 [0,2,0,0,0,0|1,0,0]=3 3211 B16R1.51 C=CCNNC(=O)C=Cc1ccc(cc1)C 22a_100020588587_100000716854 [0,2,0,0,0,0|1,0,0]=3 3212 B16R1.51 C=CCNNC(=O)C=Cc1ccc(cc1)Cl 22a_100020588587_100000184863 [0,2,0,0,0,0|1,0,0]=3 3213 B16R1.51 C=CCNNC(=O)C=Cc1ccc(cc1)F 22a_100020588587_100000182136 [0,2,0,0,0,0|1,0,0]=3 3214 B16R1.51 C=CCNNC(=O)C=Cc1ccc(cc1)I 22a_100020588587_100102526154 [0,2,0,0,0,0|1,0,0]=3 3215 B16R1.51 C=CCNNC(=O)C=Cc1ccc(cc1)O 22a_100020588587_100016269017 [0,2,0,0,0,0|1,0,0]=3 3216 B16R1.51 C=CCNNC(=O)C=Cc1ccc(cn1)F 22a_100020588587_100020630499 [0,2,0,0,0,0|2,0,0]=4 3217 B16R1.51 C=CCNNC(=O)C=Cc1ccc(nc1)Br 22a_100020588587_100020588214 [0,2,0,0,0,0|2,0,0]=4 3218 B16R1.51 C=CCOCC(=O)NCc1ccc(cc1)C 34a_200000210373_100000183211 [0,2,0,0,0,0|1,0,1]=4 3219 B16R1.51 C=CCOCC(=O)NCc1ccc(cc1)Cl 34a_200000210373_100000183476 [0,2,0,0,0,0|1,0,1]=4 3220 B16R1.51 C=CCOCC(=O)NCc1ccc(cc1)F 34a_200000210373_100000182461 [0,2,0,0,0,0|1,0,1]=4 3221 B16R1.51 C=COCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000039644 [0,2,0,0,0,0|1,0,0]=3 3222 B16R1.51 C=COCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000039644 [0,2,0,0,0,0|1,0,0]=3 3223 B16R1.51 C=COCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000039644 [0,2,0,0,0,0|1,0,0]=3 3224 B16R1.51 C=COCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000039644 [0,2,0,0,0,0|1,0,0]=3 3225 B16R1.51 C=COCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000039644 [0,2,0,0,0,0|1,0,0]=3 3226 B16R1.51 C=COCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000039644 [0,2,0,0,0,0|2,0,0]=4 3227 B16R1.51 C=COCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000039644 [0,2,0,0,0,0|2,0,0]=4 3228 B16R1.51 CCCOCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100010632825 [0,2,0,0,0,0|0,0,2]=4 3229 B16R1.51 CCCOCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100010632825 [0,2,0,0,0,0|0,0,2]=4 3230 B16R1.51 CCCOCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100010632825 [0,2,0,0,0,0|0,0,2]=4 3231 B16R1.52 C=CCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000757094 [0,2,0,0,0,0|1,0,0]=3 3232 B16R1.52 C=CCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000757094 [0,2,0,0,0,0|1,0,0]=3 3233 B16R1.52 C=CCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000757094 [0,2,0,0,0,0|1,0,0]=3 3234 B16R1.52 C=CCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000757094 [0,2,0,0,0,0|1,0,0]=3 3235 B16R1.52 C=CCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000757094 [0,2,0,0,0,0|1,0,0]=3 3236 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Br 11a_100015191253_100016258244 [0,2,0,0,0,0|1,0,0]=3 3237 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Br 1626a_100015191253_100016258244 [0,2,0,0,0,0|1,0,0]=3 3238 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Br 240690a_100015191253_100016258244 [0,2,0,0,0,0|1,0,0]=3 3239 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)C 11a_100015191253_100000690095 [0,2,0,0,0,0|1,0,0]=3 3240 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)C 1626a_100015191253_100000690095 [0,2,0,0,0,0|1,0,0]=3 3241 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)C 240690a_100015191253_100000690095 [0,2,0,0,0,0|1,0,0]=3 3242 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Cl 11a_100015191253_100000184502 [0,2,0,0,0,0|1,0,0]=3 3243 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100015191253_100000184502 [0,2,0,0,0,0|1,0,0]=3 3244 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100015191253_100000184502 [0,2,0,0,0,0|1,0,0]=3 3245 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)F 11a_100015191253_100000718793 [0,2,0,0,0,0|1,0,0]=3 3246 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)F 1626a_100015191253_100000718793 [0,2,0,0,0,0|1,0,0]=3 3247 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)F 240690a_100015191253_100000718793 [0,2,0,0,0,0|1,0,0]=3 3248 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)I 11a_100015191253_100020647043 [0,2,0,0,0,0|1,0,0]=3 3249 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)I 1626a_100015191253_100020647043 [0,2,0,0,0,0|1,0,0]=3 3250 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)I 240690a_100015191253_100020647043 [0,2,0,0,0,0|1,0,0]=3 3251 B16R1.52 C=CCNNC(=O)C=Cc1cccc(c1)Br 22a_100020588587_100016258244 [0,2,0,0,0,0|1,0,0]=3 3252 B16R1.52 C=CCNNC(=O)C=Cc1cccc(c1)C 22a_100020588587_100000690095 [0,2,0,0,0,0|1,0,0]=3 3253 B16R1.52 C=CCNNC(=O)C=Cc1cccc(c1)Cl 22a_100020588587_100000184502 [0,2,0,0,0,0|1,0,0]=3 3254 B16R1.52 C=CCNNC(=O)C=Cc1cccc(c1)F 22a_100020588587_100000718793 [0,2,0,0,0,0|1,0,0]=3 3255 B16R1.52 C=CCNNC(=O)C=Cc1cccc(c1)I 22a_100020588587_100020647043 [0,2,0,0,0,0|1,0,0]=3 3256 B16R1.52 C=CCNNC(=O)C=Cc1cccc(c1)O 22a_100020588587_100102525460 [0,2,0,0,0,0|1,0,0]=3 3257 B16R1.52 C=CCOCC(=O)NCc1cccc(c1)Br 34a_200000210373_100011263252 [0,2,0,0,0,0|1,0,1]=4 3258 B16R1.52 C=CCOCC(=O)NCc1cccc(c1)C 34a_200000210373_100000754571 [0,2,0,0,0,0|1,0,1]=4 3259 B16R1.52 C=CCOCC(=O)NCc1cccc(c1)Cl 34a_200000210373_100000181154 [0,2,0,0,0,0|1,0,1]=4 3260 B16R1.52 C=CCOCC(=O)NCc1cccc(c1)F 34a_200000210373_100000738998 [0,2,0,0,0,0|1,0,1]=4 3261 B16R1.52 C=COCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000039644 [0,2,0,0,0,0|1,0,0]=3 3262 B16R1.52 C=COCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000039644 [0,2,0,0,0,0|1,0,0]=3 3263 B16R1.52 C=COCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000039644 [0,2,0,0,0,0|1,0,0]=3 3264 B16R1.52 C=COCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000039644 [0,2,0,0,0,0|1,0,0]=3 3265 B16R1.52 C=COCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000039644 [0,2,0,0,0,0|1,0,0]=3 3266 B16R1.52 CCCOCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100010632825 [0,2,0,0,0,0|0,0,2]=4 3267 B16R1.52 CCCOCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100010632825 [0,2,0,0,0,0|0,0,2]=4 3268 B16R1.52 CCCOCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100010632825 [0,2,0,0,0,0|0,0,2]=4 3269 B16R1.608 C=C(C)CNNC(=O)C=Cc1ccccc1 22a_100000729518_100000210462 [0,2,0,0,0,0|1,0,0]=3 3270 B16R1.608 C=C(C)CNNC(=O)C=Cc1ccccn1 22a_100000729518_100000740811 [0,2,0,0,0,0|2,0,0]=4 3271 B16R1.608 C=C(C)CNNC(=O)C=Cc1cccnc1 22a_100000729518_100000735890 [0,2,0,0,0,0|2,0,0]=4 3272 B16R1.608 C=C(C)CNNC(=O)C=Cc1ccncc1 22a_100000729518_100000682801 [0,2,0,0,0,0|2,0,0]=4 3273 B16R1.608 C=C(C)COCC(=O)CCc1ccccc1 34a_100000210245_100012361361 [0,2,0,0,0,0|0,0,2]=4 3274 B16R1.608 C=C(C)COCC(=O)NCc1ccccc1 34a_100000210245_100000183539 [0,2,0,0,0,0|1,0,1]=4 3275 B16R1.608 C=C(C)COCC(=O)OCc1ccccc1 34a_100000210245_100000753625 [0,2,0,0,0,0|1,0,1]=4 3276 B16R1.608 C=C(F)COCC(=O)CCc1ccccc1 34a_200010262243_100012361361 [0,2,0,0,0,0|0,0,2]=4 3277 B16R1.608 C=C(F)COCC(=O)NCc1ccccc1 34a_200010262243_100000183539 [0,2,0,0,0,0|1,0,1]=4 3278 B16R1.608 C=C(F)COCC(=O)OCc1ccccc1 34a_200010262243_100000753625 [0,2,0,0,0,0|1,0,1]=4 3279 B16R1.608 CC(=CCCC(=O)C=Cc1ccccc1)C 1458a_100000210462_100011217483 [0,2,0,0,0,0|1,0,0]=3 3280 B16R1.608 CC(=CCCC(=O)C=Cc1ccccn1)C 1458a_100000740811_100011217483 [0,2,0,0,0,0|2,0,0]=4 3281 B16R1.608 CC(=CCCC(=O)C=Cc1cccnc1)C 1458a_100000735890_100011217483 [0,2,0,0,0,0|2,0,0]=4 3282 B16R1.608 CC(=CCCC(=O)C=Cc1ccncc1)C 1458a_100000682801_100011217483 [0,2,0,0,0,0|2,0,0]=4 3283 B16R1.608 CC(=CCNC(=O)C=Cc1ccccc1)C 11a_100000718196_100000210462 [0,2,0,0,0,0|1,0,0]=3 3284 B16R1.608 CC(=CCNC(=O)C=Cc1ccccc1)C 1626a_100000718196_100000210462 [0,2,0,0,0,0|1,0,0]=3 3285 B16R1.608 CC(=CCNC(=O)C=Cc1ccccn1)C 11a_100000718196_100000740811 [0,2,0,0,0,0|2,0,0]=4 3286 B16R1.608 CC(=CCNC(=O)C=Cc1cccnc1)C 11a_100000718196_100000735890 [0,2,0,0,0,0|2,0,0]=4 3287 B16R1.608 CC(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215641 [0,2,0,0,0,0|1,0,1]=4 3288 B16R1.608 CC(=O)CCNC(=O)C=Cc1ccccc1 1458a_100015194563_200000210301 [0,2,0,0,0,0|1,0,1]=4 3289 B16R1.608 CC(=O)NCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000189650 [0,2,0,0,0,0|1,0,1]=4 3290 B16R1.608 CC(=O)OCCC(=O)C=Cc1ccccc1 1458a_100000210462_100009814007 [0,2,0,0,0,0|1,0,1]=4 3291 B16R1.608 NC(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100102525003 [0,2,0,0,0,0|1,0,1]=4 3292 B16R1.608 NC(=O)CCNC(=O)C=Cc1ccccc1 11a_100000740010_100000210462 [0,2,0,0,0,0|1,0,1]=4 3293 B16R1.608 NC(=O)NCCC(=O)C=Cc1ccccc1 1458a_100000210462_200000034859 [0,2,0,0,0,0|2,0,0]=4 3294 B16R1.608 NC(=O)OCCC(=O)C=Cc1ccccc1 1458a_100000210462_200011214921 [0,2,0,0,0,0|2,0,0]=4 3295 B16R1.608 O=C(C=Cc1ccccc1)CCC=C(F)F 1458a_100000210462_200009816681 [0,2,0,0,0,0|1,0,0]=3 3296 B16R1.608 O=C(C=Cc1ccccn1)CCC=C(F)F 1458a_100000740811_200009816681 [0,2,0,0,0,0|2,0,0]=4 3297 B16R1.608 O=C(C=Cc1cccnc1)CCC=C(F)F 1458a_100000735890_200009816681 [0,2,0,0,0,0|2,0,0]=4 3298 B16R1.608 O=C(C=Cc1ccncc1)CCC=C(F)F 1458a_100000682801_200009816681 [0,2,0,0,0,0|2,0,0]=4 3299 B16R1.608 [13CH3]C(=O)CCNC(=O)C=Cc1ccccc1 1458a_100015194563_200025704644 [0,2,0,0,0,0|1,0,1]=4 3300 B16R1.688 C#CCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100010402529 [0,2,0,0,0,0|0,0,2]=4 3301 B16R1.688 C/C=C/COCC(=O)CCc1ccccc1 34a_100016270725_100012361361 [0,2,0,0,0,0|0,0,2]=4 3302 B16R1.688 C/C=C/COCC(=O)NCc1ccccc1 34a_100016270725_100000183539 [0,2,0,0,0,0|1,0,1]=4 3303 B16R1.688 C/C=C/COCC(=O)OCc1ccccc1 34a_100016270725_100000753625 [0,2,0,0,0,0|1,0,1]=4 3304 B16R1.688 C=CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215482 [0,2,0,0,0,0|1,0,0]=3 3305 B16R1.688 C=CCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215482 [0,2,0,0,0,0|2,0,0]=4 3306 B16R1.688 C=CCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215482 [0,2,0,0,0,0|2,0,0]=4 3307 B16R1.688 C=CCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215482 [0,2,0,0,0,0|2,0,0]=4 3308 B16R1.688 C=CCCCNC(=O)C=Cc1ccccc1 11a_100000700776_100000210462 [0,2,0,0,0,0|1,0,0]=3 3309 B16R1.688 C=CCCCNC(=O)C=Cc1ccccc1 1626a_100000700776_100000210462 [0,2,0,0,0,0|1,0,0]=3 3310 B16R1.688 C=CCCCNC(=O)C=Cc1ccccn1 11a_100000700776_100000740811 [0,2,0,0,0,0|2,0,0]=4 3311 B16R1.688 C=CCCCNC(=O)C=Cc1ccccn1 240690a_100000700776_100000740811 [0,2,0,0,0,0|2,0,0]=4 3312 B16R1.688 C=CCCCNC(=O)C=Cc1cccnc1 11a_100000700776_100000735890 [0,2,0,0,0,0|2,0,0]=4 3313 B16R1.688 C=CCCCNC(=O)C=Cc1cccnc1 240690a_100000700776_100000735890 [0,2,0,0,0,0|2,0,0]=4 3314 B16R1.688 C=CCCCNC(=O)C=Cc1ccncc1 240690a_100000700776_100000682801 [0,2,0,0,0,0|2,0,0]=4 3315 B16R1.688 C=CCCOCC(=O)CCc1ccccc1 34a_100011205117_100012361361 [0,2,0,0,0,0|0,0,2]=4 3316 B16R1.688 C=CCCOCC(=O)NCc1ccccc1 34a_100011205117_100000183539 [0,2,0,0,0,0|1,0,1]=4 3317 B16R1.688 C=CCCOCC(=O)OCc1ccccc1 34a_100011205117_100000753625 [0,2,0,0,0,0|1,0,1]=4 3318 B16R1.688 C=CCOCCC(=O)CCc1ccccc1 1458a_200011217002_100000765856 [0,2,0,0,0,0|0,0,2]=4 3319 B16R1.688 C=CCOCCC(=O)NCc1ccccc1 11a_100015324214_200011217002 [0,2,0,0,0,0|1,0,1]=4 3320 B16R1.688 C=CCOCCC(=O)NCc1ccccc1 1626a_100015324214_200011217002 [0,2,0,0,0,0|1,0,1]=4 3321 B16R1.688 C=CCOCCC(=O)NCc1ccccc1 240690a_100015324214_200011217002 [0,2,0,0,0,0|1,0,1]=4 3322 B16R1.688 C=CCOCCC(=O)NCc1ccccc1 527a_100015324214_200011217002 [0,2,0,0,0,0|1,0,1]=4 3323 B16R1.688 C=CCOCCC(=O)NNc1ccccc1 22a_100015195140_200011217002 [0,2,0,0,0,0|2,0,0]=4 3324 B16R1.688 C=CCOCCC(=O)OCc1ccccc1 7a_100009831632_100015514636 [0,2,0,0,0,0|1,0,1]=4 3325 B16R1.688 CC/C=C\CCC(=O)C=Cc1ccccc1 1458a_100000210462_100015370543 [0,2,0,0,0,0|1,0,0]=3 3326 B16R1.688 CC/C=C\CCC(=O)C=Cc1ccccn1 1458a_100000740811_100015370543 [0,2,0,0,0,0|2,0,0]=4 3327 B16R1.688 CC/C=C\CCC(=O)C=Cc1cccnc1 1458a_100000735890_100015370543 [0,2,0,0,0,0|2,0,0]=4 3328 B16R1.688 CC/C=C\CCC(=O)C=Cc1ccncc1 1458a_100000682801_100015370543 [0,2,0,0,0,0|2,0,0]=4 3329 B16R1.688 CCCCOCC(=O)C=Cc1ccccc1 1458a_100000210462_100011995733 [0,2,0,0,0,0|0,0,2]=4 3330 B16R1.688 CCCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215938 [0,2,0,0,0,0|0,0,2]=4 3331 B16R1.688 N#CCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_200000047693 [0,2,0,0,0,0|1,0,1]=4 3332 B16R1.688 O=C(C=Cc1ccccc1)CCOCCO 1458a_100000210462_100011215305 [0,2,0,0,0,0|1,0,1]=4 3333 B16R1.1216 C=CCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000757094 [0,2,0,0,0,0|1,0,0]=3 3334 B16R1.1216 C=CCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000757094 [0,2,0,0,0,0|1,0,0]=3 3335 B16R1.1216 C=CCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000757094 [0,2,0,0,0,0|2,0,0]=4 3336 B16R1.1216 C=CCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000757094 [0,2,0,0,0,0|1,0,0]=3 3337 B16R1.1216 C=CCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000757094 [0,2,0,0,0,0|2,0,0]=4 3338 B16R1.1216 C=CCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000757094 [0,2,0,0,0,0|2,0,0]=4 3339 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/C 11a_100015191253_100016990649 [0,2,0,0,0,0|1,0,0]=3 3340 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100015191253_100016990649 [0,2,0,0,0,0|1,0,0]=3 3341 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/C 527a_100015191253_100016990649 [0,2,0,0,0,0|1,0,0]=3 3342 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100015191253_200020598536 [0,2,0,0,0,0|1,0,0]=3 3343 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100015191253_200020598536 [0,2,0,0,0,0|1,0,0]=3 3344 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100015191253_200020598536 [0,2,0,0,0,0|1,0,0]=3 3345 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100015191253_200020598536 [0,2,0,0,0,0|1,0,0]=3 3346 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccn1)/C 11a_100015191253_100025712827 [0,2,0,0,0,0|2,0,0]=4 3347 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100015191253_100025712827 [0,2,0,0,0,0|2,0,0]=4 3348 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccn1)/C 527a_100015191253_100025712827 [0,2,0,0,0,0|2,0,0]=4 3349 B16R1.1216 C=CCCNC(=O)/C(=C\c1ccccc1)/F 11a_100015191253_100020889036 [0,2,0,0,0,0|1,0,0]=3 3350 B16R1.1216 C=CCCNC(=O)/C(=C\c1ccccc1)/F 527a_100015191253_100020889036 [0,2,0,0,0,0|1,0,0]=3 3351 B16R1.1216 C=CCCNC(=O)C(=C)Cc1ccccc1 11a_100015191253_100000066491 [0,2,0,0,0,0|1,0,1]=4 3352 B16R1.1216 C=CCCNC(=O)C(=C)Cc1ccccc1 1626a_100015191253_100000066491 [0,2,0,0,0,0|1,0,1]=4 3353 B16R1.1216 C=CCCNC(=O)C(=Cc1cccnc1)F 11a_100015191253_100000731744 [0,2,0,0,0,0|2,0,0]=4 3354 B16R1.1216 C=CCCNC(=O)C(=Cc1cccnc1)F 240690a_100015191253_100000731744 [0,2,0,0,0,0|2,0,0]=4 3355 B16R1.1216 C=CCCNC(=O)C(=Cc1cccnc1)F 527a_100015191253_100000731744 [0,2,0,0,0,0|2,0,0]=4 3356 B16R1.1216 C=CCCNC(=O)C(=O)Nc1ccccc1 240690a_100015191253_100000738435 [0,2,0,0,0,0|2,0,0]=4 3357 B16R1.1216 C=CCNNC(=O)/C(=C/c1ccccc1)/C 22a_100020588587_100016990649 [0,2,0,0,0,0|1,0,0]=3 3358 B16R1.1216 C=CCNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100020588587_200020598536 [0,2,0,0,0,0|1,0,0]=3 3359 B16R1.1216 C=CCNNC(=O)/C(=C/c1ccccn1)/C 22a_100020588587_100025712827 [0,2,0,0,0,0|2,0,0]=4 3360 B16R1.1216 C=CCNNC(=O)/C(=C\c1ccccc1)/F 22a_100020588587_100020889036 [0,2,0,0,0,0|1,0,0]=3 3361 B16R1.1216 C=CCNNC(=O)C(=C)Cc1ccccc1 22a_100020588587_100000066491 [0,2,0,0,0,0|1,0,1]=4 3362 B16R1.1216 C=CCNNC(=O)C(=Cc1cccnc1)F 22a_100020588587_100000731744 [0,2,0,0,0,0|2,0,0]=4 3363 B16R1.1216 C=CCNNC(=O)C(=O)Nc1ccccc1 22a_100020588587_100000738435 [0,2,0,0,0,0|2,0,0]=4 3364 B16R1.1216 C=CCOCC(=O)N(C)Cc1ccccc1 34a_200000210373_100000182870 [0,2,0,0,0,0|1,0,1]=4 3365 B16R1.1216 C=COCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000039644 [0,2,0,0,0,0|1,0,0]=3 3366 B16R1.1216 C=COCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000039644 [0,2,0,0,0,0|1,0,0]=3 3367 B16R1.1216 C=COCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000039644 [0,2,0,0,0,0|2,0,0]=4 3368 B16R1.1216 C=COCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000039644 [0,2,0,0,0,0|1,0,0]=3 3369 B16R1.1216 C=COCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000039644 [0,2,0,0,0,0|2,0,0]=4 3370 B16R1.1216 C=COCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000039644 [0,2,0,0,0,0|2,0,0]=4 3371 B16R1.1343 C=CC(C)OCC(=O)CCc1ccccc1 34a_100000695699_100012361361 [0,2,0,0,0,0|0,0,2]=4 3372 B16R1.1343 C=CC(C)OCC(=O)NCc1ccccc1 34a_100000695699_100000183539 [0,2,0,0,0,0|1,0,1]=4 3373 B16R1.1343 C=CC(C)OCC(=O)OCc1ccccc1 34a_100000695699_100000753625 [0,2,0,0,0,0|1,0,1]=4 3374 B16R1.1343 CCC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100000210202 [0,2,0,0,0,0|1,0,1]=4 3375 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 11a_106832991635_100000183125 [0,2,0,0,0,0|1,0,1]=4 3376 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 240690a_100102657272_100000183125 [0,2,0,0,0,0|1,0,1]=4 3377 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 527a_100102657272_100000183125 [0,2,0,0,0,0|1,0,1]=4 3378 B16R1.1343 CNC(=O)CNC(=O)C=Cc1ccccc1 11a_100000693194_100000210462 [0,2,0,0,0,0|1,0,1]=4 3379 B16R1.1343 COC(=O)CNC(=O)C=Cc1ccccc1 188690a_100000185156_100000210462 [0,2,0,0,0,0|1,0,1]=4 3380 B16R1.1343 O=C(CF)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100015361967 [0,2,0,0,0,0|1,0,1]=4 3381 B16R1.1570 C=COC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000036128 [0,2,0,0,0,0|1,0,1]=4 3382 B16R1.1696 C=CCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000757094 [0,2,0,0,0,0|1,0,0]=3 3383 B16R1.1696 C=CCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000757094 [0,2,0,0,0,0|1,0,0]=3 3384 B16R1.1696 C=CCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000757094 [0,2,0,0,0,0|1,0,0]=3 3385 B16R1.1696 C=CCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000757094 [0,2,0,0,0,0|1,0,0]=3 3386 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Br 11a_100015191253_100000719032 [0,2,0,0,0,0|1,0,0]=3 3387 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Br 1626a_100015191253_100000719032 [0,2,0,0,0,0|1,0,0]=3 3388 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Br 240690a_100015191253_100000719032 [0,2,0,0,0,0|1,0,0]=3 3389 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1C 1626a_100015191253_100016266485 [0,2,0,0,0,0|1,0,0]=3 3390 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Cl 11a_100015191253_100000720304 [0,2,0,0,0,0|1,0,0]=3 3391 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Cl 1626a_100015191253_100000720304 [0,2,0,0,0,0|1,0,0]=3 3392 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Cl 240690a_100015191253_100000720304 [0,2,0,0,0,0|1,0,0]=3 3393 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1F 11a_100015191253_100016256065 [0,2,0,0,0,0|1,0,0]=3 3394 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1F 1626a_100015191253_100016256065 [0,2,0,0,0,0|1,0,0]=3 3395 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1F 240690a_100015191253_100016256065 [0,2,0,0,0,0|1,0,0]=3 3396 B16R1.1696 C=CCNNC(=O)C=Cc1ccccc1Br 22a_100020588587_100000719032 [0,2,0,0,0,0|1,0,0]=3 3397 B16R1.1696 C=CCNNC(=O)C=Cc1ccccc1C 22a_100020588587_100016266485 [0,2,0,0,0,0|1,0,0]=3 3398 B16R1.1696 C=CCNNC(=O)C=Cc1ccccc1Cl 22a_100020588587_100000720304 [0,2,0,0,0,0|1,0,0]=3 3399 B16R1.1696 C=CCNNC(=O)C=Cc1ccccc1F 22a_100020588587_100016256065 [0,2,0,0,0,0|1,0,0]=3 3400 B16R1.1696 C=CCNNC(=O)C=Cc1ccccc1O 22a_100020588587_100016263591 [0,2,0,0,0,0|1,0,0]=3 3401 B16R1.1696 C=CCOCC(=O)NCc1ccccc1C 34a_200000210373_100000230231 [0,2,0,0,0,0|1,0,1]=4 3402 B16R1.1696 C=CCOCC(=O)NCc1ccccc1F 34a_200000210373_100000190583 [0,2,0,0,0,0|1,0,1]=4 3403 B16R1.1696 C=COCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000039644 [0,2,0,0,0,0|1,0,0]=3 3404 B16R1.1696 C=COCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000039644 [0,2,0,0,0,0|1,0,0]=3 3405 B16R1.1696 C=COCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000039644 [0,2,0,0,0,0|1,0,0]=3 3406 B16R1.1696 C=COCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000039644 [0,2,0,0,0,0|1,0,0]=3 3407 B16R1.20527 C=CCCNS(=O)(=O)C=Cc1ccccc1 40a_100015191253_100011098038 [0,2,0,0,0,0|2,0,0]=4 3408 B16R1.78 C=CCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000749702_100000188085 [0,2,0,0,0,0|1,0,1]=4 3409 B16R1.78 C=CCCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000749702_100000211441 [0,2,0,0,0,0|1,0,1]=4 3410 B16R1.78 C=CCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000749702_100000211071 [0,2,0,0,0,0|1,0,1]=4 3411 B16R1.78 C=CCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000749702_100000211279 [0,2,0,0,0,0|1,0,1]=4 3412 B16R1.78 C=CCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000749702_100011216261 [0,2,0,0,0,0|1,0,1]=4 3413 B16R1.78 C=CCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000749702_100009814261 [0,2,0,0,0,0|1,0,1]=4 3414 B16R1.78 C=CCNC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000183597 [0,2,0,0,0,0|1,0,1]=4 3415 B16R1.78 C=CCNC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000183597 [0,2,0,0,0,0|1,0,1]=4 3416 B16R1.78 C=CCNC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000183597 [0,2,0,0,0,0|1,0,1]=4 3417 B16R1.78 C=CCNC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000183597 [0,2,0,0,0,0|1,0,1]=4 3418 B16R1.78 C=CCNC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000183597 [0,2,0,0,0,0|1,0,1]=4 3419 B16R1.78 C=CCNC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000183597 [0,2,0,0,0,0|1,0,1]=4 3420 B16R1.78 C=CCOC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000033060 [0,2,0,0,0,0|0,0,1]=3 3421 B16R1.78 C=CCOC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000033060 [0,2,0,0,0,0|0,0,1]=3 3422 B16R1.78 C=CCOC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000033060 [0,2,0,0,0,0|0,0,1]=3 3423 B16R1.78 C=CCOC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000033060 [0,2,0,0,0,0|0,0,1]=3 3424 B16R1.78 C=CCOC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000033060 [0,2,0,0,0,0|0,0,1]=3 3425 B16R1.78 C=CCOC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000033060 [0,2,0,0,0,0|0,0,1]=3 3426 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000033060 [0,2,0,0,0,0|1,0,1]=4 3427 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000033060 [0,2,0,0,0,0|1,0,1]=4 3428 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)Br 34a_100000219623_100000033060 [0,2,0,0,0,0|1,0,1]=4 3429 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)C 2230a_100000219977_100000033060 [0,2,0,0,0,0|1,0,1]=4 3430 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)C 269982a_100000219977_100000033060 [0,2,0,0,0,0|1,0,1]=4 3431 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)C 34a_100000219977_100000033060 [0,2,0,0,0,0|1,0,1]=4 3432 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000033060 [0,2,0,0,0,0|1,0,1]=4 3433 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000033060 [0,2,0,0,0,0|1,0,1]=4 3434 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000033060 [0,2,0,0,0,0|1,0,1]=4 3435 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)F 2230a_100000219829_100000033060 [0,2,0,0,0,0|1,0,1]=4 3436 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_100000033060 [0,2,0,0,0,0|1,0,1]=4 3437 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)F 34a_100000219829_100000033060 [0,2,0,0,0,0|1,0,1]=4 3438 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)I 2230a_100000743151_100000033060 [0,2,0,0,0,0|1,0,1]=4 3439 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_100000033060 [0,2,0,0,0,0|1,0,1]=4 3440 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)I 34a_100000743151_100000033060 [0,2,0,0,0,0|1,0,1]=4 3441 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000033060 [0,2,0,0,0,0|1,0,1]=4 3442 B16R1.78 C=CCOC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100000033060 [0,2,0,0,0,0|1,0,1]=4 3443 B16R1.79 C=CCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000749702_100000212080 [0,2,0,0,0,0|1,0,1]=4 3444 B16R1.79 C=CCCC(=O)CC(=O)c1cccc(c1)C 1458a_100000749702_100000739480 [0,2,0,0,0,0|1,0,1]=4 3445 B16R1.79 C=CCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000749702_100000211444 [0,2,0,0,0,0|1,0,1]=4 3446 B16R1.79 C=CCCC(=O)CC(=O)c1cccc(c1)F 1458a_100000749702_100000215616 [0,2,0,0,0,0|1,0,1]=4 3447 B16R1.79 C=CCCC(=O)CC(=O)c1cccc(c1)O 1458a_100000749702_100009813753 [0,2,0,0,0,0|1,0,1]=4 3448 B16R1.79 C=CCNC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000183597 [0,2,0,0,0,0|1,0,1]=4 3449 B16R1.79 C=CCNC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000183597 [0,2,0,0,0,0|1,0,1]=4 3450 B16R1.79 C=CCNC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000183597 [0,2,0,0,0,0|1,0,1]=4 3451 B16R1.79 C=CCNC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000183597 [0,2,0,0,0,0|1,0,1]=4 3452 B16R1.79 C=CCNC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000183597 [0,2,0,0,0,0|1,0,1]=4 3453 B16R1.79 C=CCNC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000183597 [0,2,0,0,0,0|1,0,1]=4 3454 B16R1.79 C=CCOC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000033060 [0,2,0,0,0,0|0,0,1]=3 3455 B16R1.79 C=CCOC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000033060 [0,2,0,0,0,0|0,0,1]=3 3456 B16R1.79 C=CCOC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000033060 [0,2,0,0,0,0|0,0,1]=3 3457 B16R1.79 C=CCOC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000033060 [0,2,0,0,0,0|0,0,1]=3 3458 B16R1.79 C=CCOC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000033060 [0,2,0,0,0,0|0,0,1]=3 3459 B16R1.79 C=CCOC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000033060 [0,2,0,0,0,0|0,0,1]=3 3460 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)Br 2230a_100000219648_100000033060 [0,2,0,0,0,0|1,0,1]=4 3461 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)Br 269982a_100000219648_100000033060 [0,2,0,0,0,0|1,0,1]=4 3462 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)Br 34a_100000219648_100000033060 [0,2,0,0,0,0|1,0,1]=4 3463 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)C 2230a_100000219674_100000033060 [0,2,0,0,0,0|1,0,1]=4 3464 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)C 269982a_100000219674_100000033060 [0,2,0,0,0,0|1,0,1]=4 3465 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)C 34a_100000219674_100000033060 [0,2,0,0,0,0|1,0,1]=4 3466 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000033060 [0,2,0,0,0,0|1,0,1]=4 3467 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000033060 [0,2,0,0,0,0|1,0,1]=4 3468 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)Cl 34a_100000220044_100000033060 [0,2,0,0,0,0|1,0,1]=4 3469 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)F 2230a_100020633736_100000033060 [0,2,0,0,0,0|1,0,1]=4 3470 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)F 269982a_100020633736_100000033060 [0,2,0,0,0,0|1,0,1]=4 3471 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)F 34a_100020633736_100000033060 [0,2,0,0,0,0|1,0,1]=4 3472 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)I 2230a_100000221217_100000033060 [0,2,0,0,0,0|1,0,1]=4 3473 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)I 269982a_100000221217_100000033060 [0,2,0,0,0,0|1,0,1]=4 3474 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)I 34a_100000221217_100000033060 [0,2,0,0,0,0|1,0,1]=4 3475 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)O 2230a_100000756613_100000033060 [0,2,0,0,0,0|1,0,1]=4 3476 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_100000033060 [0,2,0,0,0,0|1,0,1]=4 3477 B16R1.79 C=CCOC(=O)CN(C)c1cccc(c1)O 34a_100000756613_100000033060 [0,2,0,0,0,0|1,0,1]=4 3478 B16R1.847 C=CC(C)CC(=O)CC(=O)c1ccccc1 1458a_100011934298_100000211460 [0,2,0,0,0,0|1,0,1]=4 3479 B16R1.912 C=CCC(C)C(=O)CC(=O)c1ccccc1 1458a_100011216819_100000211460 [0,2,0,0,0,0|1,0,1]=4 3480 B16R1.912 C=CCN(C)C(=O)C=C(C)c1ccccc1 11a_100000225617_100000743005 [0,2,0,0,0,0|1,0,0]=3 3481 B16R1.912 C=CCN(C)C(=O)C=C(C)c1ccccc1 1626a_100000225617_100000743005 [0,2,0,0,0,0|1,0,0]=3 3482 B16R1.912 C=CCN(C)C(=O)C=C(C)c1ccccc1 240690a_100000225617_100000743005 [0,2,0,0,0,0|1,0,0]=3 3483 B16R1.912 C=CCN(C)C(=O)C=C(C)c1ccccc1 527a_100000225617_100000743005 [0,2,0,0,0,0|1,0,0]=3 3484 B16R1.1244 C=CCCC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_100000754431 [0,2,0,0,0,0|2,0,0]=4 3485 B16R1.1244 C=CCCC(=O)C(C)C(=O)c1ccccc1 1458a_100000749702_100000239700 [0,2,0,0,0,0|1,0,1]=4 3486 B16R1.1244 C=CCNC(=O)C(=O)N(C)c1ccccc1 1626a_100020586998_100011297159 [0,2,0,0,0,0|2,0,0]=4 3487 B16R1.1244 C=CCNC(=O)C(=O)N(C)c1ccccc1 240690a_100020586998_100011297159 [0,2,0,0,0,0|2,0,0]=4 3488 B16R1.1244 C=CCNC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000230288 [0,2,0,0,0,0|1,0,1]=4 3489 B16R1.4478 C=CCOC(=O)CN(CC)c1ccccc1 2230a_100000210013_100000033060 [0,2,0,0,0,0|1,0,1]=4 3490 B16R1.4478 C=CCOC(=O)CN(CC)c1ccccc1 269982a_100000210013_100000033060 [0,2,0,0,0,0|1,0,1]=4 3491 B16R1.4478 C=CCOC(=O)CN(CC)c1ccccc1 34a_100000210013_100000033060 [0,2,0,0,0,0|1,0,1]=4 3492 B16R1.7010 C=CCCC(=O)CC(=O)c1ccccc1Br 1458a_100000749702_100000199116 [0,2,0,0,0,0|1,0,1]=4 3493 B16R1.7010 C=CCCC(=O)CC(=O)c1ccccc1C 1458a_100000749702_100000741374 [0,2,0,0,0,0|1,0,1]=4 3494 B16R1.7010 C=CCCC(=O)CC(=O)c1ccccc1Cl 1458a_100000749702_100000211432 [0,2,0,0,0,0|1,0,1]=4 3495 B16R1.7010 C=CCCC(=O)CC(=O)c1ccccc1F 1458a_100000749702_100000204681 [0,2,0,0,0,0|1,0,1]=4 3496 B16R1.7010 C=CCCC(=O)CC(=O)c1ccccc1O 1458a_100000749702_100000188908 [0,2,0,0,0,0|1,0,1]=4 3497 B16R1.7010 C=CCNC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000183597 [0,2,0,0,0,0|1,0,1]=4 3498 B16R1.7010 C=CCNC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000183597 [0,2,0,0,0,0|1,0,1]=4 3499 B16R1.7010 C=CCNC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000183597 [0,2,0,0,0,0|1,0,1]=4 3500 B16R1.7010 C=CCNC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000183597 [0,2,0,0,0,0|1,0,1]=4 3501 B16R1.7010 C=CCNC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000183597 [0,2,0,0,0,0|1,0,1]=4 3502 B16R1.7010 C=CCNC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000183597 [0,2,0,0,0,0|1,0,1]=4 3503 B16R1.7010 C=CCNC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000183597 [0,2,0,0,0,0|1,0,1]=4 3504 B16R1.7010 C=CCOC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000033060 [0,2,0,0,0,0|0,0,1]=3 3505 B16R1.7010 C=CCOC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000033060 [0,2,0,0,0,0|0,0,1]=3 3506 B16R1.7010 C=CCOC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000033060 [0,2,0,0,0,0|0,0,1]=3 3507 B16R1.7010 C=CCOC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000033060 [0,2,0,0,0,0|0,0,1]=3 3508 B16R1.7010 C=CCOC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000033060 [0,2,0,0,0,0|0,0,1]=3 3509 B16R1.7010 C=CCOC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000033060 [0,2,0,0,0,0|0,0,1]=3 3510 B16R1.7010 C=CCOC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000033060 [0,2,0,0,0,0|0,0,1]=3 3511 B16R1.7010 C=CCOC(=O)CN(C)c1ccccc1Br 2230a_100020606079_100000033060 [0,2,0,0,0,0|1,0,1]=4 3512 B16R1.7010 C=CCOC(=O)CN(C)c1ccccc1Br 269982a_100020606079_100000033060 [0,2,0,0,0,0|1,0,1]=4 3513 B16R1.7010 C=CCOC(=O)CN(C)c1ccccc1Br 34a_100020606079_100000033060 [0,2,0,0,0,0|1,0,1]=4 3514 B16R1.7010 C=CCOC(=O)CN(C)c1ccccc1C 2230a_100000219699_100000033060 [0,2,0,0,0,0|1,0,1]=4 3515 B16R1.7010 C=CCOC(=O)CN(C)c1ccccc1C 269982a_100000219699_100000033060 [0,2,0,0,0,0|1,0,1]=4 3516 B16R1.7010 C=CCOC(=O)CN(C)c1ccccc1C 34a_100000219699_100000033060 [0,2,0,0,0,0|1,0,1]=4 3517 B16R1.7010 C=CCOC(=O)CN(C)c1ccccc1Cl 2230a_100000219374_100000033060 [0,2,0,0,0,0|1,0,1]=4 3518 B16R1.7010 C=CCOC(=O)CN(C)c1ccccc1Cl 269982a_100000219374_100000033060 [0,2,0,0,0,0|1,0,1]=4 3519 B16R1.7010 C=CCOC(=O)CN(C)c1ccccc1Cl 34a_100000219374_100000033060 [0,2,0,0,0,0|1,0,1]=4 3520 B16R1.7010 C=CCOC(=O)CN(C)c1ccccc1F 2230a_100000220357_100000033060 [0,2,0,0,0,0|1,0,1]=4 3521 B16R1.7010 C=CCOC(=O)CN(C)c1ccccc1F 269982a_100000220357_100000033060 [0,2,0,0,0,0|1,0,1]=4 3522 B16R1.7010 C=CCOC(=O)CN(C)c1ccccc1F 34a_100000220357_100000033060 [0,2,0,0,0,0|1,0,1]=4 3523 B16R1.7010 C=CCOC(=O)CN(C)c1ccccc1O 269982a_100000033821_100000033060 [0,2,0,0,0,0|1,0,1]=4 3524 B16R1.7611 C=C(C)CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000730704 [0,2,0,0,0,0|1,0,0]=3 3525 B16R1.7611 C=C(C)CCC(=O)CC(=O)c1ccccc1 1458a_200000688413_100000211460 [0,2,0,0,0,0|1,0,1]=4 3526 B16R1.7611 C=C(C)CNC(=O)C=C(C)c1ccccc1 11a_100000765925_100000743005 [0,2,0,0,0,0|1,0,0]=3 3527 B16R1.7611 C=C(C)CNC(=O)C=C(C)c1ccccc1 1626a_100000765925_100000743005 [0,2,0,0,0,0|1,0,0]=3 3528 B16R1.7611 C=C(C)CNC(=O)C=C(C)c1ccccc1 240690a_100000765925_100000743005 [0,2,0,0,0,0|1,0,0]=3 3529 B16R1.7611 C=C(C)CNC(=O)C=C(C)c1ccccc1 527a_100000765925_100000743005 [0,2,0,0,0,0|1,0,0]=3 3530 B16R1.7611 CC(=CC(=O)NCC(=O)N)c1ccccc1 11a_100000711301_100000743005 [0,2,0,0,0,0|2,0,0]=4 3531 B16R1.7611 CC(=CC(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100000743005 [0,2,0,0,0,0|2,0,0]=4 3532 B16R1.7611 CC(=CC(=O)NCC(=O)N)c1ccccc1 527a_100000711301_100000743005 [0,2,0,0,0,0|2,0,0]=4 3533 B16R1.87 C=CCCC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_100000754431 [0,2,0,0,0,0|1,0,0]=3 3534 B16R1.87 C=CCCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100000754431 [0,2,0,0,0,0|1,0,0]=3 3535 B16R1.87 C=CCCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100000754431 [0,2,0,0,0,0|1,0,0]=3 3536 B16R1.87 C=CCCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100000754431 [0,2,0,0,0,0|1,0,0]=3 3537 B16R1.87 C=CCCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100000754431 [0,2,0,0,0,0|1,0,0]=3 3538 B16R1.87 C=CCCC(=O)C=Cc1cccc(c1F)F 6a_100000753312_100000762624 [0,2,0,0,0,0|1,0,0]=3 3539 B16R1.87 C=CCCC(=O)C=Cc1cccc(c1F)I 6a_100010202174_100000762624 [0,2,0,0,0,0|1,0,0]=3 3540 B16R1.87 C=CCCC(=O)C=Cc1cccc(c1I)F 6a_100010186293_100000762624 [0,2,0,0,0,0|1,0,0]=3 3541 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1C)F 1626a_100020586998_100102526135 [0,2,0,0,0,0|1,0,0]=3 3542 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1C)F 240690a_100020586998_100102526135 [0,2,0,0,0,0|1,0,0]=3 3543 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1Cl)Cl 1626a_100020586998_100000184505 [0,2,0,0,0,0|1,0,0]=3 3544 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1Cl)Cl 240690a_100020586998_100000184505 [0,2,0,0,0,0|1,0,0]=3 3545 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1F)Br 1626a_100020586998_100012351547 [0,2,0,0,0,0|1,0,0]=3 3546 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1F)Br 240690a_100020586998_100012351547 [0,2,0,0,0,0|1,0,0]=3 3547 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1F)Cl 1626a_100020586998_100011217667 [0,2,0,0,0,0|1,0,0]=3 3548 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1F)Cl 240690a_100020586998_100011217667 [0,2,0,0,0,0|1,0,0]=3 3549 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1F)F 1626a_100020586998_100102526107 [0,2,0,0,0,0|1,0,0]=3 3550 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1F)F 240690a_100020586998_100102526107 [0,2,0,0,0,0|1,0,0]=3 3551 B16R1.87 C=CCOC(=O)CNc1cccc(c1Br)C 34a_100000684715_100000033060 [0,2,0,0,0,0|1,0,1]=4 3552 B16R1.87 C=CCOC(=O)CNc1cccc(c1Br)Cl 34a_100000687072_100000033060 [0,2,0,0,0,0|1,0,1]=4 3553 B16R1.87 C=CCOC(=O)CNc1cccc(c1Br)F 34a_100011934729_100000033060 [0,2,0,0,0,0|1,0,1]=4 3554 B16R1.87 C=CCOC(=O)CNc1cccc(c1Br)O 34a_100012183704_100000033060 [0,2,0,0,0,0|1,0,1]=4 3555 B16R1.87 C=CCOC(=O)CNc1cccc(c1Br)O 7a_100012183704_100000033060 [0,2,0,0,0,0|1,0,1]=4 3556 B16R1.87 C=CCOC(=O)CNc1cccc(c1C)Br 34a_100000750434_100000033060 [0,2,0,0,0,0|1,0,1]=4 3557 B16R1.87 C=CCOC(=O)CNc1cccc(c1C)C 2230a_100000210026_100000033060 [0,2,0,0,0,0|1,0,1]=4 3558 B16R1.87 C=CCOC(=O)CNc1cccc(c1C)C 34a_100000210026_100000033060 [0,2,0,0,0,0|1,0,1]=4 3559 B16R1.87 C=CCOC(=O)CNc1cccc(c1C)C 7a_100000210026_100000033060 [0,2,0,0,0,0|1,0,1]=4 3560 B16R1.87 C=CCOC(=O)CNc1cccc(c1C)Cl 2230a_100000210441_100000033060 [0,2,0,0,0,0|1,0,1]=4 3561 B16R1.87 C=CCOC(=O)CNc1cccc(c1C)Cl 34a_100000210441_100000033060 [0,2,0,0,0,0|1,0,1]=4 3562 B16R1.87 C=CCOC(=O)CNc1cccc(c1C)Cl 7a_100000210441_100000033060 [0,2,0,0,0,0|1,0,1]=4 3563 B16R1.87 C=CCOC(=O)CNc1cccc(c1C)F 34a_100000745574_100000033060 [0,2,0,0,0,0|1,0,1]=4 3564 B16R1.87 C=CCOC(=O)CNc1cccc(c1C)F 7a_100000745574_100000033060 [0,2,0,0,0,0|1,0,1]=4 3565 B16R1.87 C=CCOC(=O)CNc1cccc(c1C)I 34a_100000761887_100000033060 [0,2,0,0,0,0|1,0,1]=4 3566 B16R1.87 C=CCOC(=O)CNc1cccc(c1C)O 34a_100011216573_100000033060 [0,2,0,0,0,0|1,0,1]=4 3567 B16R1.87 C=CCOC(=O)CNc1cccc(c1C)O 7a_100011216573_100000033060 [0,2,0,0,0,0|1,0,1]=4 3568 B16R1.87 C=CCOC(=O)CNc1cccc(c1Cl)Br 34a_100000687075_100000033060 [0,2,0,0,0,0|1,0,1]=4 3569 B16R1.87 C=CCOC(=O)CNc1cccc(c1Cl)C 34a_100000765562_100000033060 [0,2,0,0,0,0|1,0,1]=4 3570 B16R1.87 C=CCOC(=O)CNc1cccc(c1Cl)C 7a_100000765562_100000033060 [0,2,0,0,0,0|1,0,1]=4 3571 B16R1.87 C=CCOC(=O)CNc1cccc(c1Cl)Cl 34a_100000185733_100000033060 [0,2,0,0,0,0|1,0,1]=4 3572 B16R1.87 C=CCOC(=O)CNc1cccc(c1Cl)F 34a_100000692321_100000033060 [0,2,0,0,0,0|1,0,1]=4 3573 B16R1.87 C=CCOC(=O)CNc1cccc(c1Cl)O 34a_100012002038_100000033060 [0,2,0,0,0,0|1,0,1]=4 3574 B16R1.87 C=CCOC(=O)CNc1cccc(c1Cl)O 7a_100012002038_100000033060 [0,2,0,0,0,0|1,0,1]=4 3575 B16R1.87 C=CCOC(=O)CNc1cccc(c1F)Br 2230a_100011935091_100000033060 [0,2,0,0,0,0|1,0,1]=4 3576 B16R1.87 C=CCOC(=O)CNc1cccc(c1F)Br 34a_100011935091_100000033060 [0,2,0,0,0,0|1,0,1]=4 3577 B16R1.87 C=CCOC(=O)CNc1cccc(c1F)C 2230a_100000697159_100000033060 [0,2,0,0,0,0|1,0,1]=4 3578 B16R1.87 C=CCOC(=O)CNc1cccc(c1F)C 34a_100000697159_100000033060 [0,2,0,0,0,0|1,0,1]=4 3579 B16R1.87 C=CCOC(=O)CNc1cccc(c1F)C 7a_100000697159_100000033060 [0,2,0,0,0,0|1,0,1]=4 3580 B16R1.87 C=CCOC(=O)CNc1cccc(c1F)Cl 2230a_100000199060_100000033060 [0,2,0,0,0,0|1,0,1]=4 3581 B16R1.87 C=CCOC(=O)CNc1cccc(c1F)Cl 34a_100000199060_100000033060 [0,2,0,0,0,0|1,0,1]=4 3582 B16R1.87 C=CCOC(=O)CNc1cccc(c1F)F 34a_100000743855_100000033060 [0,2,0,0,0,0|1,0,1]=4 3583 B16R1.87 C=CCOC(=O)CNc1cccc(c1I)Br 34a_100020590159_100000033060 [0,2,0,0,0,0|1,0,1]=4 3584 B16R1.87 C=CCOC(=O)CNc1cccc(c1I)C 34a_100000761888_100000033060 [0,2,0,0,0,0|1,0,1]=4 3585 B16R1.87 C=CCOC(=O)CNc1cccc(c1I)Cl 34a_100000049713_100000033060 [0,2,0,0,0,0|1,0,1]=4 3586 B16R1.87 C=CCOC(=O)CNc1cccc(c1I)F 34a_100000690935_100000033060 [0,2,0,0,0,0|1,0,1]=4 3587 B16R1.87 C=CCOC(=O)CNc1cccc(c1O)Br 34a_100011934915_100000033060 [0,2,0,0,0,0|1,0,1]=4 3588 B16R1.87 C=CCOC(=O)CNc1cccc(c1O)C 34a_100000756359_100000033060 [0,2,0,0,0,0|1,0,1]=4 3589 B16R1.87 C=CCOC(=O)CNc1cccc(c1O)Cl 34a_100000754742_100000033060 [0,2,0,0,0,0|1,0,1]=4 3590 B16R1.87 C=CCOC(=O)CNc1cccc(c1O)F 34a_100011934987_100000033060 [0,2,0,0,0,0|1,0,1]=4 3591 B16R1.87 C=CCOC(=O)COc1cccc(c1Br)Br 34a_100010187966_100000033060 [0,2,0,0,0,0|1,0,1]=4 3592 B16R1.87 C=CCOC(=O)COc1cccc(c1Br)Br 7a_100010187966_100000033060 [0,2,0,0,0,0|1,0,1]=4 3593 B16R1.87 C=CCOC(=O)COc1cccc(c1Br)C 34a_100000686692_100000033060 [0,2,0,0,0,0|1,0,1]=4 3594 B16R1.87 C=CCOC(=O)COc1cccc(c1Br)C 7a_100000686692_100000033060 [0,2,0,0,0,0|1,0,1]=4 3595 B16R1.87 C=CCOC(=O)COc1cccc(c1Br)Cl 34a_100012348804_100000033060 [0,2,0,0,0,0|1,0,1]=4 3596 B16R1.87 C=CCOC(=O)COc1cccc(c1Br)Cl 7a_100012348804_100000033060 [0,2,0,0,0,0|1,0,1]=4 3597 B16R1.87 C=CCOC(=O)COc1cccc(c1Br)F 34a_100009820682_100000033060 [0,2,0,0,0,0|1,0,1]=4 3598 B16R1.87 C=CCOC(=O)COc1cccc(c1Br)F 7a_100009820682_100000033060 [0,2,0,0,0,0|1,0,1]=4 3599 B16R1.87 C=CCOC(=O)COc1cccc(c1Br)I 34a_100010187914_100000033060 [0,2,0,0,0,0|1,0,1]=4 3600 B16R1.87 C=CCOC(=O)COc1cccc(c1Br)I 7a_100010187914_100000033060 [0,2,0,0,0,0|1,0,1]=4 3601 B16R1.87 C=CCOC(=O)COc1cccc(c1Br)N 34a_100012183704_100000033060 [0,2,0,0,0,0|1,0,1]=4 3602 B16R1.87 C=CCOC(=O)COc1cccc(c1Br)N 7a_100012183704_100000033060 [0,2,0,0,0,0|1,0,1]=4 3603 B16R1.87 C=CCOC(=O)COc1cccc(c1C)Br 34a_100012002258_100000033060 [0,2,0,0,0,0|1,0,1]=4 3604 B16R1.87 C=CCOC(=O)COc1cccc(c1C)Br 7a_100012002258_100000033060 [0,2,0,0,0,0|1,0,1]=4 3605 B16R1.87 C=CCOC(=O)COc1cccc(c1C)C 34a_100000185855_100000033060 [0,2,0,0,0,0|1,0,1]=4 3606 B16R1.87 C=CCOC(=O)COc1cccc(c1C)C 7a_100000185855_100000033060 [0,2,0,0,0,0|1,0,1]=4 3607 B16R1.87 C=CCOC(=O)COc1cccc(c1C)Cl 34a_100011265684_100000033060 [0,2,0,0,0,0|1,0,1]=4 3608 B16R1.87 C=CCOC(=O)COc1cccc(c1C)Cl 7a_100011265684_100000033060 [0,2,0,0,0,0|1,0,1]=4 3609 B16R1.87 C=CCOC(=O)COc1cccc(c1C)F 34a_100011217231_100000033060 [0,2,0,0,0,0|1,0,1]=4 3610 B16R1.87 C=CCOC(=O)COc1cccc(c1C)F 7a_100011217231_100000033060 [0,2,0,0,0,0|1,0,1]=4 3611 B16R1.87 C=CCOC(=O)COc1cccc(c1C)N 34a_100011216573_100000033060 [0,2,0,0,0,0|1,0,1]=4 3612 B16R1.87 C=CCOC(=O)COc1cccc(c1C)N 7a_100011216573_100000033060 [0,2,0,0,0,0|1,0,1]=4 3613 B16R1.87 C=CCOC(=O)COc1cccc(c1Cl)Br 34a_100010187913_100000033060 [0,2,0,0,0,0|1,0,1]=4 3614 B16R1.87 C=CCOC(=O)COc1cccc(c1Cl)Br 7a_100010187913_100000033060 [0,2,0,0,0,0|1,0,1]=4 3615 B16R1.87 C=CCOC(=O)COc1cccc(c1Cl)C 34a_100000695629_100000033060 [0,2,0,0,0,0|1,0,1]=4 3616 B16R1.87 C=CCOC(=O)COc1cccc(c1Cl)C 7a_100000695629_100000033060 [0,2,0,0,0,0|1,0,1]=4 3617 B16R1.87 C=CCOC(=O)COc1cccc(c1Cl)Cl 34a_100000211076_100000033060 [0,2,0,0,0,0|1,0,1]=4 3618 B16R1.87 C=CCOC(=O)COc1cccc(c1Cl)Cl 7a_100000211076_100000033060 [0,2,0,0,0,0|1,0,1]=4 3619 B16R1.87 C=CCOC(=O)COc1cccc(c1Cl)F 34a_100000087408_100000033060 [0,2,0,0,0,0|1,0,1]=4 3620 B16R1.87 C=CCOC(=O)COc1cccc(c1Cl)F 7a_100000087408_100000033060 [0,2,0,0,0,0|1,0,1]=4 3621 B16R1.87 C=CCOC(=O)COc1cccc(c1Cl)I 34a_100000049636_100000033060 [0,2,0,0,0,0|1,0,1]=4 3622 B16R1.87 C=CCOC(=O)COc1cccc(c1Cl)I 7a_100000049636_100000033060 [0,2,0,0,0,0|1,0,1]=4 3623 B16R1.87 C=CCOC(=O)COc1cccc(c1Cl)N 34a_100012002038_100000033060 [0,2,0,0,0,0|1,0,1]=4 3624 B16R1.87 C=CCOC(=O)COc1cccc(c1Cl)N 7a_100012002038_100000033060 [0,2,0,0,0,0|1,0,1]=4 3625 B16R1.87 C=CCOC(=O)COc1cccc(c1F)Br 34a_100009817021_100000033060 [0,2,0,0,0,0|1,0,1]=4 3626 B16R1.87 C=CCOC(=O)COc1cccc(c1F)Br 7a_100009817021_100000033060 [0,2,0,0,0,0|1,0,1]=4 3627 B16R1.87 C=CCOC(=O)COc1cccc(c1F)C 34a_100000751311_100000033060 [0,2,0,0,0,0|1,0,1]=4 3628 B16R1.87 C=CCOC(=O)COc1cccc(c1F)C 7a_100000751311_100000033060 [0,2,0,0,0,0|1,0,1]=4 3629 B16R1.87 C=CCOC(=O)COc1cccc(c1F)Cl 34a_100000687438_100000033060 [0,2,0,0,0,0|1,0,1]=4 3630 B16R1.87 C=CCOC(=O)COc1cccc(c1F)Cl 7a_100000687438_100000033060 [0,2,0,0,0,0|1,0,1]=4 3631 B16R1.87 C=CCOC(=O)COc1cccc(c1F)F 34a_100000751161_100000033060 [0,2,0,0,0,0|1,0,1]=4 3632 B16R1.87 C=CCOC(=O)COc1cccc(c1F)F 7a_100000751161_100000033060 [0,2,0,0,0,0|1,0,1]=4 3633 B16R1.87 C=CCOC(=O)COc1cccc(c1I)Br 34a_100010187912_100000033060 [0,2,0,0,0,0|1,0,1]=4 3634 B16R1.87 C=CCOC(=O)COc1cccc(c1I)Br 7a_100010187912_100000033060 [0,2,0,0,0,0|1,0,1]=4 3635 B16R1.87 C=CCOC(=O)COc1cccc(c1I)C 34a_100010083724_100000033060 [0,2,0,0,0,0|1,0,1]=4 3636 B16R1.87 C=CCOC(=O)COc1cccc(c1I)C 7a_100010083724_100000033060 [0,2,0,0,0,0|1,0,1]=4 3637 B16R1.87 C=CCOC(=O)COc1cccc(c1I)Cl 34a_100000050174_100000033060 [0,2,0,0,0,0|1,0,1]=4 3638 B16R1.87 C=CCOC(=O)COc1cccc(c1I)Cl 7a_100000050174_100000033060 [0,2,0,0,0,0|1,0,1]=4 3639 B16R1.87 C=CCOC(=O)COc1cccc(c1I)F 34a_100000690913_100000033060 [0,2,0,0,0,0|1,0,1]=4 3640 B16R1.87 C=CCOC(=O)COc1cccc(c1I)F 7a_100000690913_100000033060 [0,2,0,0,0,0|1,0,1]=4 3641 B16R1.87 C=CCOC(=O)COc1cccc(c1N)Br 34a_100011934926_100000033060 [0,2,0,0,0,0|1,0,1]=4 3642 B16R1.87 C=CCOC(=O)COc1cccc(c1N)Br 7a_100011934926_100000033060 [0,2,0,0,0,0|1,0,1]=4 3643 B16R1.87 C=CCOC(=O)COc1cccc(c1N)C 34a_100000743429_100000033060 [0,2,0,0,0,0|1,0,1]=4 3644 B16R1.87 C=CCOC(=O)COc1cccc(c1N)C 7a_100000743429_100000033060 [0,2,0,0,0,0|1,0,1]=4 3645 B16R1.87 C=CCOC(=O)COc1cccc(c1N)Cl 34a_100012022510_100000033060 [0,2,0,0,0,0|1,0,1]=4 3646 B16R1.87 C=CCOC(=O)COc1cccc(c1N)Cl 7a_100012022510_100000033060 [0,2,0,0,0,0|1,0,1]=4 3647 B16R1.87 C=CCOC(=O)COc1cccc(c1N)F 34a_100020591140_100000033060 [0,2,0,0,0,0|1,0,1]=4 3648 B16R1.87 C=CCOC(=O)COc1cccc(c1N)F 7a_100020591140_100000033060 [0,2,0,0,0,0|1,0,1]=4 3649 B16R1.87 C=CCOC(=O)COc1cccc(c1N)I 34a_200000049512_100000033060 [0,2,0,0,0,0|1,0,1]=4 3650 B16R1.87 C=CCOC(=O)COc1cccc(c1N)I 7a_200000049512_100000033060 [0,2,0,0,0,0|1,0,1]=4 3651 B16R1.87 C=CCOC(=O)COc1cccc(c1N)N 34a_100000033209_100000033060 [0,2,0,0,0,0|1,0,1]=4 3652 B16R1.87 C=CCOC(=O)CSc1cccc(c1Br)Br 62a_100000033060_100010175083 [0,2,0,0,0,0|1,0,1]=4 3653 B16R1.87 C=CCOC(=O)CSc1cccc(c1Br)Br 62a_100010175083_100000033060 [0,2,0,0,0,0|1,0,1]=4 3654 B16R1.87 C=CCOC(=O)CSc1cccc(c1Br)C 62a_100000033060_100012362457 [0,2,0,0,0,0|1,0,1]=4 3655 B16R1.87 C=CCOC(=O)CSc1cccc(c1Br)C 62a_100012362457_100000033060 [0,2,0,0,0,0|1,0,1]=4 3656 B16R1.87 C=CCOC(=O)CSc1cccc(c1Br)Cl 62a_100000033060_100014021842 [0,2,0,0,0,0|1,0,1]=4 3657 B16R1.87 C=CCOC(=O)CSc1cccc(c1Br)Cl 62a_100014021842_100000033060 [0,2,0,0,0,0|1,0,1]=4 3658 B16R1.87 C=CCOC(=O)CSc1cccc(c1Br)F 62a_100000033060_100010202630 [0,2,0,0,0,0|1,0,1]=4 3659 B16R1.87 C=CCOC(=O)CSc1cccc(c1Br)F 62a_100010202630_100000033060 [0,2,0,0,0,0|1,0,1]=4 3660 B16R1.87 C=CCOC(=O)CSc1cccc(c1Br)O 62a_100000033060_100010187914 [0,2,0,0,0,0|1,0,1]=4 3661 B16R1.87 C=CCOC(=O)CSc1cccc(c1Br)O 62a_100010187914_100000033060 [0,2,0,0,0,0|1,0,1]=4 3662 B16R1.87 C=CCOC(=O)CSc1cccc(c1C)Br 62a_100000033060_100012353703 [0,2,0,0,0,0|1,0,1]=4 3663 B16R1.87 C=CCOC(=O)CSc1cccc(c1C)Br 62a_100012353703_100000033060 [0,2,0,0,0,0|1,0,1]=4 3664 B16R1.87 C=CCOC(=O)CSc1cccc(c1C)C 62a_100000033060_100011214922 [0,2,0,0,0,0|1,0,1]=4 3665 B16R1.87 C=CCOC(=O)CSc1cccc(c1C)C 62a_100011214922_100000033060 [0,2,0,0,0,0|1,0,1]=4 3666 B16R1.87 C=CCOC(=O)CSc1cccc(c1C)Cl 62a_100000033060_100000726075 [0,2,0,0,0,0|1,0,1]=4 3667 B16R1.87 C=CCOC(=O)CSc1cccc(c1C)Cl 62a_100000726075_100000033060 [0,2,0,0,0,0|1,0,1]=4 3668 B16R1.87 C=CCOC(=O)CSc1cccc(c1C)F 62a_100000033060_100011216893 [0,2,0,0,0,0|1,0,1]=4 3669 B16R1.87 C=CCOC(=O)CSc1cccc(c1C)F 62a_100011216893_100000033060 [0,2,0,0,0,0|1,0,1]=4 3670 B16R1.87 C=CCOC(=O)CSc1cccc(c1C)N 62a_100000033060_100000761887 [0,2,0,0,0,0|1,0,1]=4 3671 B16R1.87 C=CCOC(=O)CSc1cccc(c1C)N 62a_100000761887_100000033060 [0,2,0,0,0,0|1,0,1]=4 3672 B16R1.87 C=CCOC(=O)CSc1cccc(c1C)O 62a_100000033060_100012002258 [0,2,0,0,0,0|1,0,1]=4 3673 B16R1.87 C=CCOC(=O)CSc1cccc(c1C)O 62a_100012002258_100000033060 [0,2,0,0,0,0|1,0,1]=4 3674 B16R1.87 C=CCOC(=O)CSc1cccc(c1Cl)Br 62a_100000033060_100010142854 [0,2,0,0,0,0|1,0,1]=4 3675 B16R1.87 C=CCOC(=O)CSc1cccc(c1Cl)Br 62a_100010142854_100000033060 [0,2,0,0,0,0|1,0,1]=4 3676 B16R1.87 C=CCOC(=O)CSc1cccc(c1Cl)C 62a_100000033060_200012352035 [0,2,0,0,0,0|1,0,1]=4 3677 B16R1.87 C=CCOC(=O)CSc1cccc(c1Cl)C 62a_200012352035_100000033060 [0,2,0,0,0,0|1,0,1]=4 3678 B16R1.87 C=CCOC(=O)CSc1cccc(c1Cl)Cl 62a_100000033060_100011215384 [0,2,0,0,0,0|1,0,1]=4 3679 B16R1.87 C=CCOC(=O)CSc1cccc(c1Cl)Cl 62a_100011215384_100000033060 [0,2,0,0,0,0|1,0,1]=4 3680 B16R1.87 C=CCOC(=O)CSc1cccc(c1Cl)F 62a_100000033060_200010234923 [0,2,0,0,0,0|1,0,1]=4 3681 B16R1.87 C=CCOC(=O)CSc1cccc(c1Cl)F 62a_200010234923_100000033060 [0,2,0,0,0,0|1,0,1]=4 3682 B16R1.87 C=CCOC(=O)CSc1cccc(c1Cl)O 62a_100000033060_100000049636 [0,2,0,0,0,0|1,0,1]=4 3683 B16R1.87 C=CCOC(=O)CSc1cccc(c1F)Br 62a_100000033060_100000702267 [0,2,0,0,0,0|1,0,1]=4 3684 B16R1.87 C=CCOC(=O)CSc1cccc(c1F)Br 62a_100000702267_100000033060 [0,2,0,0,0,0|1,0,1]=4 3685 B16R1.87 C=CCOC(=O)CSc1cccc(c1F)C 62a_100000033060_100000717567 [0,2,0,0,0,0|1,0,1]=4 3686 B16R1.87 C=CCOC(=O)CSc1cccc(c1F)C 62a_100000717567_100000033060 [0,2,0,0,0,0|1,0,1]=4 3687 B16R1.87 C=CCOC(=O)CSc1cccc(c1F)Cl 62a_100000033060_100011217346 [0,2,0,0,0,0|1,0,1]=4 3688 B16R1.87 C=CCOC(=O)CSc1cccc(c1F)Cl 62a_100011217346_100000033060 [0,2,0,0,0,0|1,0,1]=4 3689 B16R1.87 C=CCOC(=O)CSc1cccc(c1F)F 62a_100000033060_100000694657 [0,2,0,0,0,0|1,0,1]=4 3690 B16R1.87 C=CCOC(=O)CSc1cccc(c1F)F 62a_100000694657_100000033060 [0,2,0,0,0,0|1,0,1]=4 3691 B16R1.87 C=CCOC(=O)CSc1cccc(c1F)N 62a_100000033060_100011935091 [0,2,0,0,0,0|1,0,1]=4 3692 B16R1.87 C=CCOC(=O)CSc1cccc(c1F)N 62a_100011935091_100000033060 [0,2,0,0,0,0|1,0,1]=4 3693 B16R1.87 C=CCOC(=O)CSc1cccc(c1F)O 62a_100000033060_100009817021 [0,2,0,0,0,0|1,0,1]=4 3694 B16R1.87 C=CCOC(=O)CSc1cccc(c1F)O 62a_100009817021_100000033060 [0,2,0,0,0,0|1,0,1]=4 3695 B16R1.87 C=CCOC(=O)CSc1cccc(c1N)Br 62a_100000033060_100010146558 [0,2,0,0,0,0|1,0,1]=4 3696 B16R1.87 C=CCOC(=O)CSc1cccc(c1N)Br 62a_100010146558_100000033060 [0,2,0,0,0,0|1,0,1]=4 3697 B16R1.87 C=CCOC(=O)CSc1cccc(c1N)C 62a_100000033060_100011834072 [0,2,0,0,0,0|1,0,1]=4 3698 B16R1.87 C=CCOC(=O)CSc1cccc(c1N)C 62a_100011834072_100000033060 [0,2,0,0,0,0|1,0,1]=4 3699 B16R1.87 C=CCOC(=O)CSc1cccc(c1N)Cl 62a_100000033060_100010190421 [0,2,0,0,0,0|1,0,1]=4 3700 B16R1.87 C=CCOC(=O)CSc1cccc(c1N)Cl 62a_100010190421_100000033060 [0,2,0,0,0,0|1,0,1]=4 3701 B16R1.87 C=CCOC(=O)CSc1cccc(c1N)F 62a_100000033060_100000042321 [0,2,0,0,0,0|1,0,1]=4 3702 B16R1.87 C=CCOC(=O)CSc1cccc(c1N)F 62a_100000042321_100000033060 [0,2,0,0,0,0|1,0,1]=4 3703 B16R1.87 C=CCOC(=O)CSc1cccc(c1N)N 62a_100015191791_100000033060 [0,2,0,0,0,0|1,0,1]=4 3704 B16R1.87 C=CCOC(=O)CSc1cccc(c1N)O 62a_100000033060_100011934926 [0,2,0,0,0,0|1,0,1]=4 3705 B16R1.87 C=CCOC(=O)CSc1cccc(c1O)Br 62a_100000033060_100010084509 [0,2,0,0,0,0|1,0,1]=4 3706 B16R1.87 C=CCOC(=O)CSc1cccc(c1O)Br 62a_100010084509_100000033060 [0,2,0,0,0,0|1,0,1]=4 3707 B16R1.87 C=CCOC(=O)CSc1cccc(c1O)C 62a_100000033060_100009817157 [0,2,0,0,0,0|1,0,1]=4 3708 B16R1.87 C=CCOC(=O)CSc1cccc(c1O)C 62a_100009817157_100000033060 [0,2,0,0,0,0|1,0,1]=4 3709 B16R1.87 C=CCOC(=O)CSc1cccc(c1O)Cl 62a_100000033060_100010202889 [0,2,0,0,0,0|1,0,1]=4 3710 B16R1.87 C=CCOC(=O)CSc1cccc(c1O)Cl 62a_100010202889_100000033060 [0,2,0,0,0,0|1,0,1]=4 3711 B16R1.87 C=CCOC(=O)CSc1cccc(c1O)F 62a_100000033060_100009813666 [0,2,0,0,0,0|1,0,1]=4 3712 B16R1.87 C=CCOC(=O)CSc1cccc(c1O)F 62a_100009813666_100000033060 [0,2,0,0,0,0|1,0,1]=4 3713 B16R1.87 C=CCOC(=O)CSc1cccc(c1O)N 62a_100000033060_100010084371 [0,2,0,0,0,0|1,0,1]=4 3714 B16R1.87 C=CCOC(=O)CSc1cccc(c1O)N 62a_100011934915_100000033060 [0,2,0,0,0,0|1,0,1]=4 3715 B16R1.87 C=CCOC(=O)CSc1cccc(c1O)O 62a_100000033060_100009815950 [0,2,0,0,0,0|1,0,1]=4 3716 B16R1.659 C=CCCC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_100000754431 [0,2,0,0,0,0|2,0,0]=4 3717 B16R1.659 C=CCCC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_100000754431 [0,2,0,0,0,0|2,0,0]=4 3718 B16R1.659 C=CCNC(=O)C(=O)Nc1cccc(c1)Cl 240690a_100020586998_200011297299 [0,2,0,0,0,0|2,0,0]=4 3719 B16R1.659 C=CCNC(=O)C(=O)Nc1cccc(c1)F 240690a_100020586998_200011297300 [0,2,0,0,0,0|2,0,0]=4 3720 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)Br 11a_100000225617_100016258244 [0,2,0,0,0,0|1,0,0]=3 3721 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)Br 1626a_100000225617_100016258244 [0,2,0,0,0,0|1,0,0]=3 3722 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)Br 240690a_100000225617_100016258244 [0,2,0,0,0,0|1,0,0]=3 3723 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)C 11a_100000225617_100000690095 [0,2,0,0,0,0|1,0,0]=3 3724 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)C 1626a_100000225617_100000690095 [0,2,0,0,0,0|1,0,0]=3 3725 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)C 240690a_100000225617_100000690095 [0,2,0,0,0,0|1,0,0]=3 3726 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)Cl 11a_100000225617_100000184502 [0,2,0,0,0,0|1,0,0]=3 3727 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)Cl 1626a_100000225617_100000184502 [0,2,0,0,0,0|1,0,0]=3 3728 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)Cl 240690a_100000225617_100000184502 [0,2,0,0,0,0|1,0,0]=3 3729 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)F 11a_100000225617_100000718793 [0,2,0,0,0,0|1,0,0]=3 3730 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)F 1626a_100000225617_100000718793 [0,2,0,0,0,0|1,0,0]=3 3731 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)F 240690a_100000225617_100000718793 [0,2,0,0,0,0|1,0,0]=3 3732 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)I 11a_100000225617_100020647043 [0,2,0,0,0,0|1,0,0]=3 3733 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)I 1626a_100000225617_100020647043 [0,2,0,0,0,0|1,0,0]=3 3734 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)I 240690a_100000225617_100020647043 [0,2,0,0,0,0|1,0,0]=3 3735 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100000754431 [0,2,0,0,0,0|1,0,0]=3 3736 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1Br)I 6a_100010185652_100000762624 [0,2,0,0,0,0|1,0,0]=3 3737 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100000754431 [0,2,0,0,0,0|1,0,0]=3 3738 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1Cl)I 6a_100010254384_100000762624 [0,2,0,0,0,0|1,0,0]=3 3739 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100000754431 [0,2,0,0,0,0|1,0,0]=3 3740 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1F)Br 6a_100000211465_100000762624 [0,2,0,0,0,0|1,0,0]=3 3741 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_100000754431 [0,2,0,0,0,0|1,0,0]=3 3742 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1F)C 6a_100000756917_100000762624 [0,2,0,0,0,0|1,0,0]=3 3743 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1F)Cl 6a_100000745245_100000762624 [0,2,0,0,0,0|1,0,0]=3 3744 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100000754431 [0,2,0,0,0,0|1,0,0]=3 3745 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1F)F 6a_100000740046_100000762624 [0,2,0,0,0,0|1,0,0]=3 3746 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1F)I 6a_100000050626_100000762624 [0,2,0,0,0,0|1,0,0]=3 3747 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1I)Br 6a_100010185651_100000762624 [0,2,0,0,0,0|1,0,0]=3 3748 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1I)C 6a_100010150105_100000762624 [0,2,0,0,0,0|1,0,0]=3 3749 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1I)Cl 6a_100010254386_100000762624 [0,2,0,0,0,0|1,0,0]=3 3750 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1I)F 6a_100010186294_100000762624 [0,2,0,0,0,0|1,0,0]=3 3751 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1I)O 6a_100000069132_100000762624 [0,2,0,0,0,0|1,0,0]=3 3752 B16R1.7334 C=CCCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_100000762624 [0,2,0,0,0,0|1,0,0]=3 3753 B16R1.7334 C=CCCC(=O)C=Cc1cc(ncc1Br)I 6a_200135154921_100000762624 [0,2,0,0,0,0|2,0,0]=4 3754 B16R1.7334 C=CCCC(=O)C=Cc1cc(ncc1F)Br 6a_100000707870_100000762624 [0,2,0,0,0,0|2,0,0]=4 3755 B16R1.7334 C=CCCC(=O)C=Cc1cc(ncc1F)F 6a_100000731253_100000762624 [0,2,0,0,0,0|2,0,0]=4 3756 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1Br)F 1626a_100020586998_100102525183 [0,2,0,0,0,0|1,0,0]=3 3757 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1Br)F 240690a_100020586998_100102525183 [0,2,0,0,0,0|1,0,0]=3 3758 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1Br)O 240690a_100020586998_200159324452 [0,2,0,0,0,0|1,0,0]=3 3759 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1C)C 1626a_100020586998_200016256798 [0,2,0,0,0,0|1,0,0]=3 3760 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1C)F 1626a_100020586998_100102526137 [0,2,0,0,0,0|1,0,0]=3 3761 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1Cl)Cl 1626a_100020586998_100000234794 [0,2,0,0,0,0|1,0,0]=3 3762 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1Cl)Cl 240690a_100020586998_100000234794 [0,2,0,0,0,0|1,0,0]=3 3763 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1F)Br 1626a_100020586998_100000718207 [0,2,0,0,0,0|1,0,0]=3 3764 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1F)Br 240690a_100020586998_100000718207 [0,2,0,0,0,0|1,0,0]=3 3765 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1F)C 1626a_100020586998_100102526132 [0,2,0,0,0,0|1,0,0]=3 3766 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1F)C 240690a_100020586998_100102526132 [0,2,0,0,0,0|1,0,0]=3 3767 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1F)F 1626a_100020586998_100000744626 [0,2,0,0,0,0|1,0,0]=3 3768 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1F)F 240690a_100020586998_100000744626 [0,2,0,0,0,0|1,0,0]=3 3769 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1Br)Br 34a_100000737762_100000033060 [0,2,0,0,0,0|1,0,1]=4 3770 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1Br)C 34a_100000745044_100000033060 [0,2,0,0,0,0|1,0,1]=4 3771 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1Br)Cl 34a_100000687073_100000033060 [0,2,0,0,0,0|1,0,1]=4 3772 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1Br)F 34a_100000687223_100000033060 [0,2,0,0,0,0|1,0,1]=4 3773 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1Br)O 34a_100011999798_100000033060 [0,2,0,0,0,0|1,0,1]=4 3774 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1C)Br 34a_100000741167_100000033060 [0,2,0,0,0,0|1,0,1]=4 3775 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1C)Br 7a_100000741167_100000033060 [0,2,0,0,0,0|1,0,1]=4 3776 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1C)C 2230a_100000185781_100000033060 [0,2,0,0,0,0|1,0,1]=4 3777 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1C)C 34a_100000185781_100000033060 [0,2,0,0,0,0|1,0,1]=4 3778 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1C)C 7a_100000185781_100000033060 [0,2,0,0,0,0|1,0,1]=4 3779 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1C)Cl 34a_100000211374_100000033060 [0,2,0,0,0,0|1,0,1]=4 3780 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1C)Cl 7a_100000211374_100000033060 [0,2,0,0,0,0|1,0,1]=4 3781 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1C)F 34a_100000211107_100000033060 [0,2,0,0,0,0|1,0,1]=4 3782 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1C)F 7a_100000211107_100000033060 [0,2,0,0,0,0|1,0,1]=4 3783 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1C)I 7a_100000761890_100000033060 [0,2,0,0,0,0|1,0,1]=4 3784 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1C)O 34a_100011216113_100000033060 [0,2,0,0,0,0|1,0,1]=4 3785 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1Cl)Br 34a_100000750497_100000033060 [0,2,0,0,0,0|1,0,1]=4 3786 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1Cl)C 34a_100011215360_100000033060 [0,2,0,0,0,0|1,0,1]=4 3787 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1Cl)Cl 34a_100000184485_100000033060 [0,2,0,0,0,0|1,0,1]=4 3788 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1Cl)F 34a_100000751338_100000033060 [0,2,0,0,0,0|1,0,1]=4 3789 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1Cl)I 34a_200000761891_100000033060 [0,2,0,0,0,0|1,0,1]=4 3790 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1Cl)O 34a_100011934297_100000033060 [0,2,0,0,0,0|1,0,1]=4 3791 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1F)Br 34a_100000740924_100000033060 [0,2,0,0,0,0|1,0,1]=4 3792 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1F)C 34a_100000211285_100000033060 [0,2,0,0,0,0|1,0,1]=4 3793 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1F)Cl 34a_100000212115_100000033060 [0,2,0,0,0,0|1,0,1]=4 3794 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1F)F 34a_100000210742_100000033060 [0,2,0,0,0,0|1,0,1]=4 3795 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1F)I 34a_100011464823_100000033060 [0,2,0,0,0,0|1,0,1]=4 3796 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1F)O 34a_100012017239_100000033060 [0,2,0,0,0,0|1,0,1]=4 3797 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1I)Br 34a_100000743836_100000033060 [0,2,0,0,0,0|1,0,1]=4 3798 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1I)C 34a_100011216686_100000033060 [0,2,0,0,0,0|1,0,1]=4 3799 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1I)Cl 34a_100000761886_100000033060 [0,2,0,0,0,0|1,0,1]=4 3800 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1I)F 34a_100011218093_100000033060 [0,2,0,0,0,0|1,0,1]=4 3801 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1O)Br 34a_100000752626_100000033060 [0,2,0,0,0,0|1,0,1]=4 3802 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1O)C 34a_100011215204_100000033060 [0,2,0,0,0,0|1,0,1]=4 3803 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1O)Cl 34a_100000210500_100000033060 [0,2,0,0,0,0|1,0,1]=4 3804 B16R1.7334 C=CCOC(=O)CNc1cc(ccc1O)F 34a_100000759472_100000033060 [0,2,0,0,0,0|1,0,1]=4 3805 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Br)Br 34a_100011220040_100000033060 [0,2,0,0,0,0|1,0,1]=4 3806 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Br)Br 7a_100011220040_100000033060 [0,2,0,0,0,0|1,0,1]=4 3807 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Br)C 34a_100012002257_100000033060 [0,2,0,0,0,0|1,0,1]=4 3808 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Br)C 7a_100012002257_100000033060 [0,2,0,0,0,0|1,0,1]=4 3809 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Br)Cl 34a_100012339455_100000033060 [0,2,0,0,0,0|1,0,1]=4 3810 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Br)Cl 7a_100012339455_100000033060 [0,2,0,0,0,0|1,0,1]=4 3811 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Br)F 34a_100000690578_100000033060 [0,2,0,0,0,0|1,0,1]=4 3812 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Br)F 7a_100000690578_100000033060 [0,2,0,0,0,0|1,0,1]=4 3813 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Br)I 34a_100012356990_100000033060 [0,2,0,0,0,0|1,0,1]=4 3814 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Br)I 7a_100012356990_100000033060 [0,2,0,0,0,0|1,0,1]=4 3815 B16R1.7334 C=CCOC(=O)COc1cc(ccc1C)Br 34a_100000685420_100000033060 [0,2,0,0,0,0|1,0,1]=4 3816 B16R1.7334 C=CCOC(=O)COc1cc(ccc1C)Br 7a_100000685420_100000033060 [0,2,0,0,0,0|1,0,1]=4 3817 B16R1.7334 C=CCOC(=O)COc1cc(ccc1C)C 34a_100000210931_100000033060 [0,2,0,0,0,0|1,0,1]=4 3818 B16R1.7334 C=CCOC(=O)COc1cc(ccc1C)C 7a_100000210931_100000033060 [0,2,0,0,0,0|1,0,1]=4 3819 B16R1.7334 C=CCOC(=O)COc1cc(ccc1C)Cl 34a_100000756515_100000033060 [0,2,0,0,0,0|1,0,1]=4 3820 B16R1.7334 C=CCOC(=O)COc1cc(ccc1C)Cl 7a_100000756515_100000033060 [0,2,0,0,0,0|1,0,1]=4 3821 B16R1.7334 C=CCOC(=O)COc1cc(ccc1C)F 34a_100000690566_100000033060 [0,2,0,0,0,0|1,0,1]=4 3822 B16R1.7334 C=CCOC(=O)COc1cc(ccc1C)F 7a_100000690566_100000033060 [0,2,0,0,0,0|1,0,1]=4 3823 B16R1.7334 C=CCOC(=O)COc1cc(ccc1C)I 7a_100000766334_100000033060 [0,2,0,0,0,0|1,0,1]=4 3824 B16R1.7334 C=CCOC(=O)COc1cc(ccc1C)N 34a_100000759471_100000033060 [0,2,0,0,0,0|1,0,1]=4 3825 B16R1.7334 C=CCOC(=O)COc1cc(ccc1C)N 7a_100000759471_100000033060 [0,2,0,0,0,0|1,0,1]=4 3826 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Cl)Br 34a_100000738945_100000033060 [0,2,0,0,0,0|1,0,1]=4 3827 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Cl)Br 7a_100000738945_100000033060 [0,2,0,0,0,0|1,0,1]=4 3828 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Cl)C 34a_100000211493_100000033060 [0,2,0,0,0,0|1,0,1]=4 3829 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Cl)C 7a_100000211493_100000033060 [0,2,0,0,0,0|1,0,1]=4 3830 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Cl)Cl 34a_100000211422_100000033060 [0,2,0,0,0,0|1,0,1]=4 3831 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Cl)Cl 7a_100000211422_100000033060 [0,2,0,0,0,0|1,0,1]=4 3832 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Cl)F 34a_100000692107_100000033060 [0,2,0,0,0,0|1,0,1]=4 3833 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Cl)F 7a_100000692107_100000033060 [0,2,0,0,0,0|1,0,1]=4 3834 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Cl)I 34a_100011356854_100000033060 [0,2,0,0,0,0|1,0,1]=4 3835 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Cl)I 7a_100011356854_100000033060 [0,2,0,0,0,0|1,0,1]=4 3836 B16R1.7334 C=CCOC(=O)COc1cc(ccc1Cl)N 34a_100011934209_100000033060 [0,2,0,0,0,0|1,0,1]=4 3837 B16R1.7334 C=CCOC(=O)COc1cc(ccc1F)Br 34a_100000686035_100000033060 [0,2,0,0,0,0|1,0,1]=4 3838 B16R1.7334 C=CCOC(=O)COc1cc(ccc1F)Br 7a_100000686035_100000033060 [0,2,0,0,0,0|1,0,1]=4 3839 B16R1.7334 C=CCOC(=O)COc1cc(ccc1F)C 34a_100000759540_100000033060 [0,2,0,0,0,0|1,0,1]=4 3840 B16R1.7334 C=CCOC(=O)COc1cc(ccc1F)C 7a_100000759540_100000033060 [0,2,0,0,0,0|1,0,1]=4 3841 B16R1.7334 C=CCOC(=O)COc1cc(ccc1F)Cl 34a_100000757397_100000033060 [0,2,0,0,0,0|1,0,1]=4 3842 B16R1.7334 C=CCOC(=O)COc1cc(ccc1F)Cl 7a_100000757397_100000033060 [0,2,0,0,0,0|1,0,1]=4 3843 B16R1.7334 C=CCOC(=O)COc1cc(ccc1F)F 34a_100000752141_100000033060 [0,2,0,0,0,0|1,0,1]=4 3844 B16R1.7334 C=CCOC(=O)COc1cc(ccc1F)F 7a_100000752141_100000033060 [0,2,0,0,0,0|1,0,1]=4 3845 B16R1.7334 C=CCOC(=O)COc1cc(ccc1F)I 34a_100009958187_100000033060 [0,2,0,0,0,0|1,0,1]=4 3846 B16R1.7334 C=CCOC(=O)COc1cc(ccc1F)I 7a_100009958187_100000033060 [0,2,0,0,0,0|1,0,1]=4 3847 B16R1.7334 C=CCOC(=O)COc1cc(ccc1F)N 34a_100012017398_100000033060 [0,2,0,0,0,0|1,0,1]=4 3848 B16R1.7334 C=CCOC(=O)COc1cc(ccc1F)N 7a_100012017398_100000033060 [0,2,0,0,0,0|1,0,1]=4 3849 B16R1.7334 C=CCOC(=O)COc1cc(ccc1I)Br 34a_100012344904_100000033060 [0,2,0,0,0,0|1,0,1]=4 3850 B16R1.7334 C=CCOC(=O)COc1cc(ccc1I)Br 7a_100012344904_100000033060 [0,2,0,0,0,0|1,0,1]=4 3851 B16R1.7334 C=CCOC(=O)COc1cc(ccc1I)Cl 34a_100000050036_100000033060 [0,2,0,0,0,0|1,0,1]=4 3852 B16R1.7334 C=CCOC(=O)COc1cc(ccc1I)Cl 7a_100000050036_100000033060 [0,2,0,0,0,0|1,0,1]=4 3853 B16R1.7334 C=CCOC(=O)COc1cc(ccc1I)F 34a_100010084537_100000033060 [0,2,0,0,0,0|1,0,1]=4 3854 B16R1.7334 C=CCOC(=O)COc1cc(ccc1I)F 7a_100010084537_100000033060 [0,2,0,0,0,0|1,0,1]=4 3855 B16R1.7334 C=CCOC(=O)COc1cc(ccc1N)Br 34a_100000739049_100000033060 [0,2,0,0,0,0|1,0,1]=4 3856 B16R1.7334 C=CCOC(=O)COc1cc(ccc1N)Br 7a_100000739049_100000033060 [0,2,0,0,0,0|1,0,1]=4 3857 B16R1.7334 C=CCOC(=O)COc1cc(ccc1N)C 34a_100000211527_100000033060 [0,2,0,0,0,0|1,0,1]=4 3858 B16R1.7334 C=CCOC(=O)COc1cc(ccc1N)C 7a_100000211527_100000033060 [0,2,0,0,0,0|1,0,1]=4 3859 B16R1.7334 C=CCOC(=O)COc1cc(ccc1N)Cl 34a_100000185728_100000033060 [0,2,0,0,0,0|1,0,1]=4 3860 B16R1.7334 C=CCOC(=O)COc1cc(ccc1N)Cl 7a_100000185728_100000033060 [0,2,0,0,0,0|1,0,1]=4 3861 B16R1.7334 C=CCOC(=O)COc1cc(ccc1N)F 34a_100000753323_100000033060 [0,2,0,0,0,0|1,0,1]=4 3862 B16R1.7334 C=CCOC(=O)COc1cc(ccc1N)F 7a_100000753323_100000033060 [0,2,0,0,0,0|1,0,1]=4 3863 B16R1.7334 C=CCOC(=O)COc1cc(ccc1N)I 34a_100000057187_100000033060 [0,2,0,0,0,0|1,0,1]=4 3864 B16R1.7334 C=CCOC(=O)COc1cc(ccc1N)I 7a_100000057187_100000033060 [0,2,0,0,0,0|1,0,1]=4 3865 B16R1.7334 C=CCOC(=O)COc1cc(ccc1N)N 34a_100025717382_100000033060 [0,2,0,0,0,0|1,0,1]=4 3866 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Br)Br 62a_100000033060_100011483371 [0,2,0,0,0,0|1,0,1]=4 3867 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Br)Br 62a_100011483371_100000033060 [0,2,0,0,0,0|1,0,1]=4 3868 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Br)C 62a_100000033060_100012353751 [0,2,0,0,0,0|1,0,1]=4 3869 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Br)C 62a_100012353751_100000033060 [0,2,0,0,0,0|1,0,1]=4 3870 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Br)Cl 62a_100000033060_100012339723 [0,2,0,0,0,0|1,0,1]=4 3871 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Br)Cl 62a_100012339723_100000033060 [0,2,0,0,0,0|1,0,1]=4 3872 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Br)F 62a_100000033060_100011217576 [0,2,0,0,0,0|1,0,1]=4 3873 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Br)F 62a_100011217576_100000033060 [0,2,0,0,0,0|1,0,1]=4 3874 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Br)N 62a_100000033060_100000750459 [0,2,0,0,0,0|1,0,1]=4 3875 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Br)N 62a_100000750459_100000033060 [0,2,0,0,0,0|1,0,1]=4 3876 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Br)O 62a_100000033060_100012339312 [0,2,0,0,0,0|1,0,1]=4 3877 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Br)O 62a_100012339312_100000033060 [0,2,0,0,0,0|1,0,1]=4 3878 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1C)Br 62a_100000033060_100011344865 [0,2,0,0,0,0|1,0,1]=4 3879 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1C)Br 62a_100011344865_100000033060 [0,2,0,0,0,0|1,0,1]=4 3880 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1C)C 62a_100000033060_100000210833 [0,2,0,0,0,0|1,0,1]=4 3881 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1C)C 62a_100000210833_100000033060 [0,2,0,0,0,0|1,0,1]=4 3882 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1C)Cl 62a_100000033060_100011263213 [0,2,0,0,0,0|1,0,1]=4 3883 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1C)Cl 62a_100011263213_100000033060 [0,2,0,0,0,0|1,0,1]=4 3884 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1C)F 62a_100000033060_100011218078 [0,2,0,0,0,0|1,0,1]=4 3885 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1C)F 62a_100011218078_100000033060 [0,2,0,0,0,0|1,0,1]=4 3886 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1C)N 62a_100000033060_100000736455 [0,2,0,0,0,0|1,0,1]=4 3887 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1C)N 62a_100000736455_100000033060 [0,2,0,0,0,0|1,0,1]=4 3888 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1C)O 62a_100000033060_100011380479 [0,2,0,0,0,0|1,0,1]=4 3889 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1C)O 62a_100011380479_100000033060 [0,2,0,0,0,0|1,0,1]=4 3890 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Cl)Br 62a_100000033060_100011772130 [0,2,0,0,0,0|1,0,1]=4 3891 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Cl)Br 62a_100011772130_100000033060 [0,2,0,0,0,0|1,0,1]=4 3892 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Cl)C 62a_100000033060_100012356289 [0,2,0,0,0,0|1,0,1]=4 3893 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Cl)C 62a_100012356289_100000033060 [0,2,0,0,0,0|1,0,1]=4 3894 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Cl)Cl 62a_100000033060_100000707729 [0,2,0,0,0,0|1,0,1]=4 3895 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Cl)Cl 62a_100000707729_100000033060 [0,2,0,0,0,0|1,0,1]=4 3896 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Cl)F 62a_100000033060_100011217299 [0,2,0,0,0,0|1,0,1]=4 3897 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Cl)F 62a_100011217299_100000033060 [0,2,0,0,0,0|1,0,1]=4 3898 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Cl)N 62a_100000033060_100012360549 [0,2,0,0,0,0|1,0,1]=4 3899 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Cl)N 62a_100012360549_100000033060 [0,2,0,0,0,0|1,0,1]=4 3900 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Cl)O 62a_100000033060_100000049588 [0,2,0,0,0,0|1,0,1]=4 3901 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1Cl)O 62a_100000049588_100000033060 [0,2,0,0,0,0|1,0,1]=4 3902 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1F)Br 62a_100000033060_100011217312 [0,2,0,0,0,0|1,0,1]=4 3903 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1F)Br 62a_100011217312_100000033060 [0,2,0,0,0,0|1,0,1]=4 3904 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1F)C 62a_100000033060_100000736223 [0,2,0,0,0,0|1,0,1]=4 3905 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1F)C 62a_100000736223_100000033060 [0,2,0,0,0,0|1,0,1]=4 3906 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1F)Cl 62a_100000033060_100011218116 [0,2,0,0,0,0|1,0,1]=4 3907 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1F)Cl 62a_100011218116_100000033060 [0,2,0,0,0,0|1,0,1]=4 3908 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1F)F 62a_100000033060_100011219198 [0,2,0,0,0,0|1,0,1]=4 3909 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1F)F 62a_100011219198_100000033060 [0,2,0,0,0,0|1,0,1]=4 3910 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1F)N 62a_100000033060_100000760356 [0,2,0,0,0,0|1,0,1]=4 3911 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1F)N 62a_100000760356_100000033060 [0,2,0,0,0,0|1,0,1]=4 3912 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1F)O 62a_100000033060_100000693481 [0,2,0,0,0,0|1,0,1]=4 3913 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1F)O 62a_100000693481_100000033060 [0,2,0,0,0,0|1,0,1]=4 3914 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1N)Br 62a_100000033060_100000187925 [0,2,0,0,0,0|1,0,1]=4 3915 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1N)Br 62a_100000187925_100000033060 [0,2,0,0,0,0|1,0,1]=4 3916 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1N)C 62a_100000033060_100011356834 [0,2,0,0,0,0|1,0,1]=4 3917 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1N)C 62a_100011356834_100000033060 [0,2,0,0,0,0|1,0,1]=4 3918 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1N)Cl 62a_100000033060_100000761889 [0,2,0,0,0,0|1,0,1]=4 3919 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1N)Cl 62a_100000761889_100000033060 [0,2,0,0,0,0|1,0,1]=4 3920 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1N)F 62a_100000033060_100000760547 [0,2,0,0,0,0|1,0,1]=4 3921 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1N)F 62a_100000760547_100000033060 [0,2,0,0,0,0|1,0,1]=4 3922 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1N)N 62a_100000033060_100011534242 [0,2,0,0,0,0|1,0,1]=4 3923 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1N)N 62a_100011534242_100000033060 [0,2,0,0,0,0|1,0,1]=4 3924 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1N)O 62a_100000033060_100012001276 [0,2,0,0,0,0|1,0,1]=4 3925 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1N)O 62a_100012001276_100000033060 [0,2,0,0,0,0|1,0,1]=4 3926 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1O)Br 62a_100000033060_100012355227 [0,2,0,0,0,0|1,0,1]=4 3927 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1O)Br 62a_100012355227_100000033060 [0,2,0,0,0,0|1,0,1]=4 3928 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1O)C 62a_100000033060_100000765521 [0,2,0,0,0,0|1,0,1]=4 3929 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1O)C 62a_100000765521_100000033060 [0,2,0,0,0,0|1,0,1]=4 3930 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1O)Cl 62a_100000033060_100011356953 [0,2,0,0,0,0|1,0,1]=4 3931 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1O)Cl 62a_100011356953_100000033060 [0,2,0,0,0,0|1,0,1]=4 3932 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1O)F 62a_100000033060_100000211999 [0,2,0,0,0,0|1,0,1]=4 3933 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1O)F 62a_100000211999_100000033060 [0,2,0,0,0,0|1,0,1]=4 3934 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1O)N 62a_100000033060_100011534360 [0,2,0,0,0,0|1,0,1]=4 3935 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1O)N 62a_100011534360_100000033060 [0,2,0,0,0,0|1,0,1]=4 3936 B16R1.7334 C=CCOC(=O)CSc1cc(ccc1O)O 62a_100000033060_100009813629 [0,2,0,0,0,0|1,0,1]=4 3937 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)Br)Br 6a_100000719502_100000762624 [0,2,0,0,0,0|1,0,0]=3 3938 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)Br)C 6a_100000686105_100000762624 [0,2,0,0,0,0|1,0,0]=3 3939 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)Br)Cl 6a_100011934515_100000762624 [0,2,0,0,0,0|1,0,0]=3 3940 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)Br)F 6a_100011794424_100000762624 [0,2,0,0,0,0|1,0,0]=3 3941 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)Br)O 6a_100010176088_100000762624 [0,2,0,0,0,0|1,0,0]=3 3942 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)C)C 1458a_100016257640_100000754431 [0,2,0,0,0,0|1,0,0]=3 3943 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)C)C 6a_100000745632_100000762624 [0,2,0,0,0,0|1,0,0]=3 3944 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)Cl)C 6a_100000684525_100000762624 [0,2,0,0,0,0|1,0,0]=3 3945 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_100000754431 [0,2,0,0,0,0|1,0,0]=3 3946 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 6a_100000741761_100000762624 [0,2,0,0,0,0|1,0,0]=3 3947 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_100000754431 [0,2,0,0,0,0|1,0,0]=3 3948 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)Cl)F 6a_100000703917_100000762624 [0,2,0,0,0,0|1,0,0]=3 3949 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)Cl)O 6a_100000050827_100000762624 [0,2,0,0,0,0|1,0,0]=3 3950 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)F)C 1458a_100102526130_100000754431 [0,2,0,0,0,0|1,0,0]=3 3951 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)F)C 6a_100011217087_100000762624 [0,2,0,0,0,0|1,0,0]=3 3952 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_100000754431 [0,2,0,0,0,0|1,0,0]=3 3953 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)F)F 6a_100000743029_100000762624 [0,2,0,0,0,0|1,0,0]=3 3954 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)F)O 6a_100000703664_100000762624 [0,2,0,0,0,0|1,0,0]=3 3955 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)I)Br 6a_100010185649_100000762624 [0,2,0,0,0,0|1,0,0]=3 3956 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)I)F 6a_100010185655_100000762624 [0,2,0,0,0,0|1,0,0]=3 3957 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)I)I 6a_100010185653_100000762624 [0,2,0,0,0,0|1,0,0]=3 3958 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)O)C 6a_100009853434_100000762624 [0,2,0,0,0,0|1,0,0]=3 3959 B16R1.7629 C=CCCC(=O)C=Cc1cc(cc(c1)O)O 6a_100000043415_100000762624 [0,2,0,0,0,0|1,0,0]=3 3960 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)C)C 1626a_100020586998_100016257640 [0,2,0,0,0,0|1,0,0]=3 3961 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)C)C 240690a_100020586998_100016257640 [0,2,0,0,0,0|1,0,0]=3 3962 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 1626a_100020586998_100000234795 [0,2,0,0,0,0|1,0,0]=3 3963 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 240690a_100020586998_100000234795 [0,2,0,0,0,0|1,0,0]=3 3964 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)Cl)F 1626a_100020586998_100012349021 [0,2,0,0,0,0|1,0,0]=3 3965 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)Cl)F 240690a_100020586998_100012349021 [0,2,0,0,0,0|1,0,0]=3 3966 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)F)C 1626a_100020586998_100102526130 [0,2,0,0,0,0|1,0,0]=3 3967 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)F)C 240690a_100020586998_100102526130 [0,2,0,0,0,0|1,0,0]=3 3968 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)F)F 1626a_100020586998_100015207409 [0,2,0,0,0,0|1,0,0]=3 3969 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)F)F 240690a_100020586998_100015207409 [0,2,0,0,0,0|1,0,0]=3 3970 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Br)Br 34a_100012047176_100000033060 [0,2,0,0,0,0|1,0,1]=4 3971 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Br)Br 7a_100012047176_100000033060 [0,2,0,0,0,0|1,0,1]=4 3972 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Br)C 34a_100000695972_100000033060 [0,2,0,0,0,0|1,0,1]=4 3973 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Br)C 7a_100000695972_100000033060 [0,2,0,0,0,0|1,0,1]=4 3974 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Br)Cl 34a_100011934539_100000033060 [0,2,0,0,0,0|1,0,1]=4 3975 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Br)Cl 7a_100011934539_100000033060 [0,2,0,0,0,0|1,0,1]=4 3976 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Br)F 34a_100000705686_100000033060 [0,2,0,0,0,0|1,0,1]=4 3977 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Br)F 7a_100000705686_100000033060 [0,2,0,0,0,0|1,0,1]=4 3978 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)C)C 2230a_100000210930_100000033060 [0,2,0,0,0,0|1,0,1]=4 3979 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)C)C 34a_100000210930_100000033060 [0,2,0,0,0,0|1,0,1]=4 3980 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)C)C 7a_100000210930_100000033060 [0,2,0,0,0,0|1,0,1]=4 3981 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Cl)C 2230a_100012022512_100000033060 [0,2,0,0,0,0|1,0,1]=4 3982 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Cl)C 34a_100012022512_100000033060 [0,2,0,0,0,0|1,0,1]=4 3983 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Cl)C 7a_100012022512_100000033060 [0,2,0,0,0,0|1,0,1]=4 3984 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000033060 [0,2,0,0,0,0|1,0,1]=4 3985 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000033060 [0,2,0,0,0,0|1,0,1]=4 3986 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Cl)F 34a_100000686136_100000033060 [0,2,0,0,0,0|1,0,1]=4 3987 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Cl)F 7a_100000686136_100000033060 [0,2,0,0,0,0|1,0,1]=4 3988 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Cl)O 34a_100000123917_100000033060 [0,2,0,0,0,0|1,0,1]=4 3989 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)Cl)O 7a_100000123917_100000033060 [0,2,0,0,0,0|1,0,1]=4 3990 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)F)C 2230a_100000742734_100000033060 [0,2,0,0,0,0|1,0,1]=4 3991 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)F)C 34a_100000742734_100000033060 [0,2,0,0,0,0|1,0,1]=4 3992 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)F)C 7a_100000742734_100000033060 [0,2,0,0,0,0|1,0,1]=4 3993 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)F)F 34a_100000233717_100000033060 [0,2,0,0,0,0|1,0,1]=4 3994 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)F)F 7a_100000233717_100000033060 [0,2,0,0,0,0|1,0,1]=4 3995 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)I)Br 7a_100009814763_100000033060 [0,2,0,0,0,0|1,0,1]=4 3996 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)I)Cl 7a_100010147676_100000033060 [0,2,0,0,0,0|1,0,1]=4 3997 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)I)F 34a_100011356972_100000033060 [0,2,0,0,0,0|1,0,1]=4 3998 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)I)F 7a_100011356972_100000033060 [0,2,0,0,0,0|1,0,1]=4 3999 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)I)I 7a_200000696836_100000033060 [0,2,0,0,0,0|1,0,1]=4 4000 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)O)C 34a_100011995906_100000033060 [0,2,0,0,0,0|1,0,1]=4 4001 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)O)C 7a_100011995906_100000033060 [0,2,0,0,0,0|1,0,1]=4 4002 B16R1.7629 C=CCOC(=O)CNc1cc(cc(c1)O)O 34a_100000043371_100000033060 [0,2,0,0,0,0|1,0,1]=4 4003 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Br)Br 34a_100010167048_100000033060 [0,2,0,0,0,0|1,0,1]=4 4004 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Br)Br 7a_100010167048_100000033060 [0,2,0,0,0,0|1,0,1]=4 4005 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Br)C 34a_100011999630_100000033060 [0,2,0,0,0,0|1,0,1]=4 4006 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Br)C 7a_100011999630_100000033060 [0,2,0,0,0,0|1,0,1]=4 4007 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Br)Cl 34a_100010185897_100000033060 [0,2,0,0,0,0|1,0,1]=4 4008 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Br)Cl 7a_100010185897_100000033060 [0,2,0,0,0,0|1,0,1]=4 4009 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Br)F 34a_100000688818_100000033060 [0,2,0,0,0,0|1,0,1]=4 4010 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Br)F 7a_100000688818_100000033060 [0,2,0,0,0,0|1,0,1]=4 4011 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)C)C 34a_100000210933_100000033060 [0,2,0,0,0,0|1,0,1]=4 4012 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)C)C 7a_100000210933_100000033060 [0,2,0,0,0,0|1,0,1]=4 4013 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Cl)C 34a_100000087485_100000033060 [0,2,0,0,0,0|1,0,1]=4 4014 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Cl)C 7a_100000087485_100000033060 [0,2,0,0,0,0|1,0,1]=4 4015 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Cl)Cl 34a_100000181315_100000033060 [0,2,0,0,0,0|1,0,1]=4 4016 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Cl)Cl 7a_100000181315_100000033060 [0,2,0,0,0,0|1,0,1]=4 4017 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Cl)F 34a_100011219751_100000033060 [0,2,0,0,0,0|1,0,1]=4 4018 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Cl)F 7a_100011219751_100000033060 [0,2,0,0,0,0|1,0,1]=4 4019 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Cl)N 34a_100000123917_100000033060 [0,2,0,0,0,0|1,0,1]=4 4020 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)Cl)N 7a_100000123917_100000033060 [0,2,0,0,0,0|1,0,1]=4 4021 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)F)C 34a_100011830401_100000033060 [0,2,0,0,0,0|1,0,1]=4 4022 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)F)C 7a_100011830401_100000033060 [0,2,0,0,0,0|1,0,1]=4 4023 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)F)F 34a_100000747503_100000033060 [0,2,0,0,0,0|1,0,1]=4 4024 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)F)F 7a_100000747503_100000033060 [0,2,0,0,0,0|1,0,1]=4 4025 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)I)Br 34a_100010068917_100000033060 [0,2,0,0,0,0|1,0,1]=4 4026 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)I)Br 7a_100010068917_100000033060 [0,2,0,0,0,0|1,0,1]=4 4027 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)I)Cl 34a_100010068924_100000033060 [0,2,0,0,0,0|1,0,1]=4 4028 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)I)Cl 7a_100010068924_100000033060 [0,2,0,0,0,0|1,0,1]=4 4029 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)I)F 34a_100000717995_100000033060 [0,2,0,0,0,0|1,0,1]=4 4030 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)I)F 7a_100000717995_100000033060 [0,2,0,0,0,0|1,0,1]=4 4031 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)N)C 34a_100011995906_100000033060 [0,2,0,0,0,0|1,0,1]=4 4032 B16R1.7629 C=CCOC(=O)COc1cc(cc(c1)N)C 7a_100011995906_100000033060 [0,2,0,0,0,0|1,0,1]=4 4033 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Br)Br 62a_100000033060_100009814770 [0,2,0,0,0,0|1,0,1]=4 4034 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Br)Br 62a_100009814770_100000033060 [0,2,0,0,0,0|1,0,1]=4 4035 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Br)Cl 62a_100000033060_100009814755 [0,2,0,0,0,0|1,0,1]=4 4036 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Br)Cl 62a_100009814755_100000033060 [0,2,0,0,0,0|1,0,1]=4 4037 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Br)F 62a_100000033060_100009814764 [0,2,0,0,0,0|1,0,1]=4 4038 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Br)F 62a_100009814764_100000033060 [0,2,0,0,0,0|1,0,1]=4 4039 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Br)N 62a_100000033060_100009814763 [0,2,0,0,0,0|1,0,1]=4 4040 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Br)N 62a_100009814763_100000033060 [0,2,0,0,0,0|1,0,1]=4 4041 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Br)O 62a_100000033060_100010068917 [0,2,0,0,0,0|1,0,1]=4 4042 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Br)O 62a_100010068917_100000033060 [0,2,0,0,0,0|1,0,1]=4 4043 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)C)C 62a_100000033060_100011215608 [0,2,0,0,0,0|1,0,1]=4 4044 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)C)C 62a_100011215608_100000033060 [0,2,0,0,0,0|1,0,1]=4 4045 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Cl)C 62a_100000033060_100010172791 [0,2,0,0,0,0|1,0,1]=4 4046 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Cl)C 62a_100010172791_100000033060 [0,2,0,0,0,0|1,0,1]=4 4047 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Cl)Cl 62a_100000033060_100000747138 [0,2,0,0,0,0|1,0,1]=4 4048 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000033060 [0,2,0,0,0,0|1,0,1]=4 4049 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Cl)F 62a_100000033060_100013859453 [0,2,0,0,0,0|1,0,1]=4 4050 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Cl)F 62a_100013859453_100000033060 [0,2,0,0,0,0|1,0,1]=4 4051 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Cl)N 62a_100000033060_100010147676 [0,2,0,0,0,0|1,0,1]=4 4052 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Cl)N 62a_100010147676_100000033060 [0,2,0,0,0,0|1,0,1]=4 4053 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Cl)O 62a_100000033060_100010068924 [0,2,0,0,0,0|1,0,1]=4 4054 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)Cl)O 62a_100010068924_100000033060 [0,2,0,0,0,0|1,0,1]=4 4055 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)F)C 62a_100000033060_100011356977 [0,2,0,0,0,0|1,0,1]=4 4056 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)F)C 62a_100011356977_100000033060 [0,2,0,0,0,0|1,0,1]=4 4057 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)F)F 62a_100000033060_100000233788 [0,2,0,0,0,0|1,0,1]=4 4058 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)F)F 62a_100000233788_100000033060 [0,2,0,0,0,0|1,0,1]=4 4059 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)F)N 62a_100000033060_100011356972 [0,2,0,0,0,0|1,0,1]=4 4060 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)F)N 62a_100011356972_100000033060 [0,2,0,0,0,0|1,0,1]=4 4061 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)F)O 62a_100000033060_100000688818 [0,2,0,0,0,0|1,0,1]=4 4062 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)F)O 62a_100000688818_100000033060 [0,2,0,0,0,0|1,0,1]=4 4063 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)N)C 62a_100000033060_100000695972 [0,2,0,0,0,0|1,0,1]=4 4064 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)N)C 62a_100000695972_100000033060 [0,2,0,0,0,0|1,0,1]=4 4065 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)N)N 62a_100000033060_100011999608 [0,2,0,0,0,0|1,0,1]=4 4066 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)N)N 62a_100011999608_100000033060 [0,2,0,0,0,0|1,0,1]=4 4067 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)O)C 62a_100000033060_100011999630 [0,2,0,0,0,0|1,0,1]=4 4068 B16R1.7629 C=CCOC(=O)CSc1cc(cc(c1)O)O 62a_100000033060_100009868816 [0,2,0,0,0,0|1,0,1]=4 4069 B16R1.11227 C=C(C)CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000730704 [0,2,0,0,0,0|1,0,0]=3 4070 B16R1.11227 C=C(C)CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000730704 [0,2,0,0,0,0|1,0,0]=3 4071 B16R1.11227 C=C(C)CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000730704 [0,2,0,0,0,0|1,0,0]=3 4072 B16R1.11227 C=C(C)CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000730704 [0,2,0,0,0,0|1,0,0]=3 4073 B16R1.11227 C=C(C)CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000730704 [0,2,0,0,0,0|1,0,0]=3 4074 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Br 11a_100000765925_100016258244 [0,2,0,0,0,0|1,0,0]=3 4075 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Br 1626a_100000765925_100016258244 [0,2,0,0,0,0|1,0,0]=3 4076 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000765925_100016258244 [0,2,0,0,0,0|1,0,0]=3 4077 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)C 11a_100000765925_100000690095 [0,2,0,0,0,0|1,0,0]=3 4078 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)C 1626a_100000765925_100000690095 [0,2,0,0,0,0|1,0,0]=3 4079 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)C 240690a_100000765925_100000690095 [0,2,0,0,0,0|1,0,0]=3 4080 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Cl 11a_100000765925_100000184502 [0,2,0,0,0,0|1,0,0]=3 4081 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Cl 1626a_100000765925_100000184502 [0,2,0,0,0,0|1,0,0]=3 4082 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000765925_100000184502 [0,2,0,0,0,0|1,0,0]=3 4083 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)F 11a_100000765925_100000718793 [0,2,0,0,0,0|1,0,0]=3 4084 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)F 1626a_100000765925_100000718793 [0,2,0,0,0,0|1,0,0]=3 4085 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)F 240690a_100000765925_100000718793 [0,2,0,0,0,0|1,0,0]=3 4086 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)I 11a_100000765925_100020647043 [0,2,0,0,0,0|1,0,0]=3 4087 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)I 1626a_100000765925_100020647043 [0,2,0,0,0,0|1,0,0]=3 4088 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)I 240690a_100000765925_100020647043 [0,2,0,0,0,0|1,0,0]=3 4089 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(=O)N 11a_100000711301_100000690095 [0,2,0,0,0,0|2,0,0]=4 4090 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(=O)N 240690a_100000711301_100000690095 [0,2,0,0,0,0|2,0,0]=4 4091 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)Br 11a_100000711301_100016258244 [0,2,0,0,0,0|2,0,0]=4 4092 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000711301_100016258244 [0,2,0,0,0,0|2,0,0]=4 4093 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)Cl 11a_100000711301_100000184502 [0,2,0,0,0,0|2,0,0]=4 4094 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000711301_100000184502 [0,2,0,0,0,0|2,0,0]=4 4095 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)F 11a_100000711301_100000718793 [0,2,0,0,0,0|2,0,0]=4 4096 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)F 240690a_100000711301_100000718793 [0,2,0,0,0,0|2,0,0]=4 4097 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)I 11a_100000711301_100020647043 [0,2,0,0,0,0|2,0,0]=4 4098 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)I 240690a_100000711301_100020647043 [0,2,0,0,0,0|2,0,0]=4 4099 B16R1.11227 O=C(O)CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000210954 [0,2,0,0,0,0|2,0,0]=4 4100 B16R1.11227 O=C(O)CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000210954 [0,2,0,0,0,0|2,0,0]=4 4101 B16R1.11227 O=C(O)CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000210954 [0,2,0,0,0,0|2,0,0]=4 4102 B16R1.20755 C#Cc1cccc(c1)NCC(=O)OCC=C 2230a_100000735509_100000033060 [0,2,0,0,0,0|1,0,1]=4 4103 B16R1.20755 C#Cc1cccc(c1)NCC(=O)OCC=C 34a_100000735509_100000033060 [0,2,0,0,0,0|1,0,1]=4 4104 B16R1.20755 C#Cc1cccc(c1)OCC(=O)OCC=C 34a_100011216014_100000033060 [0,2,0,0,0,0|1,0,1]=4 4105 B16R1.20755 C#Cc1cccc(c1)OCC(=O)OCC=C 7a_100011216014_100000033060 [0,2,0,0,0,0|1,0,1]=4 4106 B16R1.20755 C=CCCC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_100000754431 [0,2,0,0,0,0|1,0,0]=3 4107 B16R1.20755 C=CCCC(=O)C=Cc1cncc(c1)C#N 6a_100011361567_100000762624 [0,2,0,0,0,0|2,0,0]=4 4108 B16R1.20755 C=CCNC(=O)C=Cc1cccc(c1)C#N 1626a_100020586998_100000738773 [0,2,0,0,0,0|1,0,0]=3 4109 B16R1.20755 C=CCNC(=O)C=Cc1cccc(c1)C#N 240690a_100020586998_100000738773 [0,2,0,0,0,0|1,0,0]=3 4110 B16R1.20755 C=CCOC(=O)CNc1cccc(c1)C#N 34a_100000210922_100000033060 [0,2,0,0,0,0|1,0,1]=4 4111 B16R1.20755 C=CCOC(=O)CNc1cccc(c1)C#N 7a_100000210922_100000033060 [0,2,0,0,0,0|1,0,1]=4 4112 B16R1.20755 C=CCOC(=O)CNc1cccc(c1)C=C 34a_100011827668_100000033060 [0,2,0,0,0,0|1,0,1]=4 4113 B16R1.20755 C=CCOC(=O)CNc1cccc(c1)CC 2230a_100000211250_100000033060 [0,2,0,0,0,0|1,0,1]=4 4114 B16R1.20755 C=CCOC(=O)CNc1cccc(c1)CC 34a_100000211250_100000033060 [0,2,0,0,0,0|1,0,1]=4 4115 B16R1.20755 C=CCOC(=O)CNc1cccc(c1)CC 7a_100000211250_100000033060 [0,2,0,0,0,0|1,0,1]=4 4116 B16R1.20755 C=CCOC(=O)CNc1cccc(c1)CF 2230a_100000126320_100000033060 [0,2,0,0,0,0|1,0,1]=4 4117 B16R1.20755 C=CCOC(=O)CNc1cccc(c1)CF 34a_100000126320_100000033060 [0,2,0,0,0,0|1,0,1]=4 4118 B16R1.20755 C=CCOC(=O)CNc1cccc(c1)CF 7a_100000126320_100000033060 [0,2,0,0,0,0|1,0,1]=4 4119 B16R1.20755 C=CCOC(=O)CNc1cccc(c1)CO 2230a_100000211919_100000033060 [0,2,0,0,0,0|1,0,1]=4 4120 B16R1.20755 C=CCOC(=O)CNc1cccc(c1)CO 34a_100000211919_100000033060 [0,2,0,0,0,0|1,0,1]=4 4121 B16R1.20755 C=CCOC(=O)CNc1cccc(c1)OC 34a_100000210024_100000033060 [0,2,0,0,0,0|1,0,1]=4 4122 B16R1.20755 C=CCOC(=O)CNc1cccc(c1)SC 2230a_100000210049_100000033060 [0,2,0,0,0,0|1,0,1]=4 4123 B16R1.20755 C=CCOC(=O)CNc1cccc(c1)SC 34a_100000210049_100000033060 [0,2,0,0,0,0|1,0,1]=4 4124 B16R1.20755 C=CCOC(=O)COc1cccc(c1)C#N 34a_100000184713_100000033060 [0,2,0,0,0,0|1,0,1]=4 4125 B16R1.20755 C=CCOC(=O)COc1cccc(c1)C#N 7a_100000184713_100000033060 [0,2,0,0,0,0|1,0,1]=4 4126 B16R1.20755 C=CCOC(=O)COc1cccc(c1)C=C 34a_100011309434_100000033060 [0,2,0,0,0,0|1,0,1]=4 4127 B16R1.20755 C=CCOC(=O)COc1cccc(c1)C=C 7a_100011309434_100000033060 [0,2,0,0,0,0|1,0,1]=4 4128 B16R1.20755 C=CCOC(=O)COc1cccc(c1)CBr 34a_100011660834_100000033060 [0,2,0,0,0,0|1,0,1]=4 4129 B16R1.20755 C=CCOC(=O)COc1cccc(c1)CBr 7a_100011660834_100000033060 [0,2,0,0,0,0|1,0,1]=4 4130 B16R1.20755 C=CCOC(=O)COc1cccc(c1)CC 34a_100000211550_100000033060 [0,2,0,0,0,0|1,0,1]=4 4131 B16R1.20755 C=CCOC(=O)COc1cccc(c1)CC 7a_100000211550_100000033060 [0,2,0,0,0,0|1,0,1]=4 4132 B16R1.20755 C=CCOC(=O)COc1cccc(c1)CCl 34a_100000084143_100000033060 [0,2,0,0,0,0|1,0,1]=4 4133 B16R1.20755 C=CCOC(=O)COc1cccc(c1)CCl 7a_100000084143_100000033060 [0,2,0,0,0,0|1,0,1]=4 4134 B16R1.20755 C=CCOC(=O)COc1cccc(c1)CN 34a_100000743036_100000033060 [0,2,0,0,0,0|1,0,1]=4 4135 B16R1.20755 C=CCOC(=O)COc1cccc(c1)CO 34a_100011214949_100000033060 [0,2,0,0,0,0|1,0,1]=4 4136 B16R1.20755 C=CCOC(=O)COc1cccc(c1)CO 7a_100011214949_100000033060 [0,2,0,0,0,0|1,0,1]=4 4137 B16R1.20755 C=CCOC(=O)COc1cccc(c1)NC 34a_100000756613_100000033060 [0,2,0,0,0,0|1,0,1]=4 4138 B16R1.20755 C=CCOC(=O)COc1cccc(c1)NC 7a_100000756613_100000033060 [0,2,0,0,0,0|1,0,1]=4 4139 B16R1.20755 C=CCOC(=O)COc1cccc(c1)OC 34a_100000211255_100000033060 [0,2,0,0,0,0|1,0,1]=4 4140 B16R1.20755 C=CCOC(=O)COc1cccc(c1)OC 7a_100000211255_100000033060 [0,2,0,0,0,0|1,0,1]=4 4141 B16R1.20755 C=CCOC(=O)COc1cccc(c1)SC 34a_100011265683_100000033060 [0,2,0,0,0,0|1,0,1]=4 4142 B16R1.20755 C=CCOC(=O)COc1cccc(c1)SC 7a_100011265683_100000033060 [0,2,0,0,0,0|1,0,1]=4 4143 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)C#N 62a_100000033060_100000189340 [0,2,0,0,0,0|1,0,1]=4 4144 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)C=C 62a_100000033060_100011215241 [0,2,0,0,0,0|1,0,1]=4 4145 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)C=C 62a_100011215241_100000033060 [0,2,0,0,0,0|1,0,1]=4 4146 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)C=O 62a_100000014684_100000033060 [0,2,0,0,0,0|1,0,1]=4 4147 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)C=O 62a_100000033060_100000014684 [0,2,0,0,0,0|1,0,1]=4 4148 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)CC 62a_100000033060_100011263222 [0,2,0,0,0,0|1,0,1]=4 4149 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)CC 62a_100011263222_100000033060 [0,2,0,0,0,0|1,0,1]=4 4150 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)CF 62a_100000033060_100010878472 [0,2,0,0,0,0|1,0,1]=4 4151 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)CF 62a_100010878472_100000033060 [0,2,0,0,0,0|1,0,1]=4 4152 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)CN 62a_100000033060_100000106179 [0,2,0,0,0,0|1,0,1]=4 4153 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)CN 62a_100000106179_100000033060 [0,2,0,0,0,0|1,0,1]=4 4154 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)CO 62a_100000033060_100000687537 [0,2,0,0,0,0|1,0,1]=4 4155 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)CO 62a_100000687537_100000033060 [0,2,0,0,0,0|1,0,1]=4 4156 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)NC 62a_100000033060_100000219648 [0,2,0,0,0,0|1,0,1]=4 4157 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)NC 62a_100000219648_100000033060 [0,2,0,0,0,0|1,0,1]=4 4158 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)NN 62a_100000033060_100000217339 [0,2,0,0,0,0|1,0,1]=4 4159 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)NN 62a_100000217339_100000033060 [0,2,0,0,0,0|1,0,1]=4 4160 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)OC 62a_100000033060_100000170001 [0,2,0,0,0,0|1,0,1]=4 4161 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)SC 62a_100000033060_100011215954 [0,2,0,0,0,0|1,0,1]=4 4162 B16R1.20755 C=CCOC(=O)CSc1cccc(c1)SC 62a_100011215954_100000033060 [0,2,0,0,0,0|1,0,1]=4 4163 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100000754431 [0,2,0,0,0,0|1,0,0]=3 4164 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_100000762624 [0,2,0,0,0,0|1,0,0]=3 4165 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100000754431 [0,2,0,0,0,0|1,0,0]=3 4166 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_100000762624 [0,2,0,0,0,0|1,0,0]=3 4167 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000754431 [0,2,0,0,0,0|1,0,0]=3 4168 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_100000754431 [0,2,0,0,0,0|1,0,0]=3 4169 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_100000762624 [0,2,0,0,0,0|1,0,0]=3 4170 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)C)Cl 6a_100000698814_100000762624 [0,2,0,0,0,0|1,0,0]=3 4171 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_100000754431 [0,2,0,0,0,0|1,0,0]=3 4172 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)C)F 6a_100000748208_100000762624 [0,2,0,0,0,0|1,0,0]=3 4173 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)Cl)C 6a_100000760539_100000762624 [0,2,0,0,0,0|1,0,0]=3 4174 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100000754431 [0,2,0,0,0,0|1,0,0]=3 4175 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_100000762624 [0,2,0,0,0,0|1,0,0]=3 4176 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100000754431 [0,2,0,0,0,0|1,0,0]=3 4177 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_100000762624 [0,2,0,0,0,0|1,0,0]=3 4178 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000754431 [0,2,0,0,0,0|1,0,0]=3 4179 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100000762624 [0,2,0,0,0,0|1,0,0]=3 4180 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100000754431 [0,2,0,0,0,0|1,0,0]=3 4181 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_100000762624 [0,2,0,0,0,0|1,0,0]=3 4182 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_100000754431 [0,2,0,0,0,0|1,0,0]=3 4183 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)F)C 6a_100000753222_100000762624 [0,2,0,0,0,0|1,0,0]=3 4184 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100000754431 [0,2,0,0,0,0|1,0,0]=3 4185 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_100000762624 [0,2,0,0,0,0|1,0,0]=3 4186 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100000754431 [0,2,0,0,0,0|1,0,0]=3 4187 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_100000762624 [0,2,0,0,0,0|1,0,0]=3 4188 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_100000762624 [0,2,0,0,0,0|1,0,0]=3 4189 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100000762624 [0,2,0,0,0,0|1,0,0]=3 4190 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_100000762624 [0,2,0,0,0,0|1,0,0]=3 4191 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)I)C 6a_100010197721_100000762624 [0,2,0,0,0,0|1,0,0]=3 4192 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_100000762624 [0,2,0,0,0,0|1,0,0]=3 4193 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_100000762624 [0,2,0,0,0,0|1,0,0]=3 4194 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100000762624 [0,2,0,0,0,0|1,0,0]=3 4195 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100000762624 [0,2,0,0,0,0|1,0,0]=3 4196 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100000762624 [0,2,0,0,0,0|1,0,0]=3 4197 B16R1.20760 C=CCCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100000762624 [0,2,0,0,0,0|1,0,0]=3 4198 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Br)Cl 1626a_100020586998_100102889548 [0,2,0,0,0,0|1,0,0]=3 4199 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_100020586998_100102889548 [0,2,0,0,0,0|1,0,0]=3 4200 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Br)F 1626a_100020586998_100011195070 [0,2,0,0,0,0|1,0,0]=3 4201 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_100020586998_100011195070 [0,2,0,0,0,0|1,0,0]=3 4202 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100020586998_200103079279 [0,2,0,0,0,0|1,0,0]=3 4203 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)C)C 1626a_100020586998_100011338269 [0,2,0,0,0,0|1,0,0]=3 4204 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)C)C 240690a_100020586998_100011338269 [0,2,0,0,0,0|1,0,0]=3 4205 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)C)F 1626a_100020586998_100016261966 [0,2,0,0,0,0|1,0,0]=3 4206 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)C)F 240690a_100020586998_100016261966 [0,2,0,0,0,0|1,0,0]=3 4207 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 1626a_100020586998_100000716972 [0,2,0,0,0,0|1,0,0]=3 4208 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_100020586998_100000716972 [0,2,0,0,0,0|1,0,0]=3 4209 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Cl)F 1626a_100020586998_100102525453 [0,2,0,0,0,0|1,0,0]=3 4210 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_100020586998_100102525453 [0,2,0,0,0,0|1,0,0]=3 4211 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100020586998_200103117615 [0,2,0,0,0,0|1,0,0]=3 4212 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)Br 1626a_100020586998_100102601611 [0,2,0,0,0,0|1,0,0]=3 4213 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_100020586998_100102601611 [0,2,0,0,0,0|1,0,0]=3 4214 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)C 1626a_100020586998_100102526211 [0,2,0,0,0,0|1,0,0]=3 4215 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)C 240690a_100020586998_100102526211 [0,2,0,0,0,0|1,0,0]=3 4216 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)Cl 1626a_100020586998_100020610926 [0,2,0,0,0,0|1,0,0]=3 4217 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_100020586998_100020610926 [0,2,0,0,0,0|1,0,0]=3 4218 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)F 1626a_100020586998_100011195075 [0,2,0,0,0,0|1,0,0]=3 4219 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)F 240690a_100020586998_100011195075 [0,2,0,0,0,0|1,0,0]=3 4220 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100020586998_100011195073 [0,2,0,0,0,0|1,0,0]=3 4221 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100000033060 [0,2,0,0,0,0|1,0,1]=4 4222 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100000033060 [0,2,0,0,0,0|1,0,1]=4 4223 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100000033060 [0,2,0,0,0,0|1,0,1]=4 4224 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Br)C 2230a_100000736455_100000033060 [0,2,0,0,0,0|1,0,1]=4 4225 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Br)C 34a_100000736455_100000033060 [0,2,0,0,0,0|1,0,1]=4 4226 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Br)C 7a_100000736455_100000033060 [0,2,0,0,0,0|1,0,1]=4 4227 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000033060 [0,2,0,0,0,0|1,0,1]=4 4228 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000033060 [0,2,0,0,0,0|1,0,1]=4 4229 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100000033060 [0,2,0,0,0,0|1,0,1]=4 4230 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Br)F 34a_100000760356_100000033060 [0,2,0,0,0,0|1,0,1]=4 4231 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Br)F 7a_100000760356_100000033060 [0,2,0,0,0,0|1,0,1]=4 4232 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Br)I 34a_100000750458_100000033060 [0,2,0,0,0,0|1,0,1]=4 4233 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000033060 [0,2,0,0,0,0|1,0,1]=4 4234 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)Br 2230a_100000210723_100000033060 [0,2,0,0,0,0|1,0,1]=4 4235 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)Br 34a_100000210723_100000033060 [0,2,0,0,0,0|1,0,1]=4 4236 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)Br 7a_100000210723_100000033060 [0,2,0,0,0,0|1,0,1]=4 4237 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)C 2230a_100000724040_100000033060 [0,2,0,0,0,0|1,0,1]=4 4238 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)C 34a_100000724040_100000033060 [0,2,0,0,0,0|1,0,1]=4 4239 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)C 7a_100000724040_100000033060 [0,2,0,0,0,0|1,0,1]=4 4240 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)Cl 2230a_100000187808_100000033060 [0,2,0,0,0,0|1,0,1]=4 4241 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)Cl 34a_100000187808_100000033060 [0,2,0,0,0,0|1,0,1]=4 4242 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)Cl 7a_100000187808_100000033060 [0,2,0,0,0,0|1,0,1]=4 4243 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)F 2230a_100000750164_100000033060 [0,2,0,0,0,0|1,0,1]=4 4244 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)F 34a_100000750164_100000033060 [0,2,0,0,0,0|1,0,1]=4 4245 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)F 7a_100000750164_100000033060 [0,2,0,0,0,0|1,0,1]=4 4246 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)I 34a_100000198070_100000033060 [0,2,0,0,0,0|1,0,1]=4 4247 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)I 7a_100000198070_100000033060 [0,2,0,0,0,0|1,0,1]=4 4248 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)O 34a_100011218179_100000033060 [0,2,0,0,0,0|1,0,1]=4 4249 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)C)O 7a_100011218179_100000033060 [0,2,0,0,0,0|1,0,1]=4 4250 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000033060 [0,2,0,0,0,0|1,0,1]=4 4251 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100000033060 [0,2,0,0,0,0|1,0,1]=4 4252 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100000033060 [0,2,0,0,0,0|1,0,1]=4 4253 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Cl)C 2230a_100000188892_100000033060 [0,2,0,0,0,0|1,0,1]=4 4254 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Cl)C 34a_100000188892_100000033060 [0,2,0,0,0,0|1,0,1]=4 4255 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Cl)C 7a_100000188892_100000033060 [0,2,0,0,0,0|1,0,1]=4 4256 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000033060 [0,2,0,0,0,0|1,0,1]=4 4257 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000033060 [0,2,0,0,0,0|1,0,1]=4 4258 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100000033060 [0,2,0,0,0,0|1,0,1]=4 4259 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100000033060 [0,2,0,0,0,0|1,0,1]=4 4260 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100000033060 [0,2,0,0,0,0|1,0,1]=4 4261 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100000033060 [0,2,0,0,0,0|1,0,1]=4 4262 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000033060 [0,2,0,0,0,0|1,0,1]=4 4263 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100000033060 [0,2,0,0,0,0|1,0,1]=4 4264 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)Br 34a_100000759894_100000033060 [0,2,0,0,0,0|1,0,1]=4 4265 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)Br 7a_100000759894_100000033060 [0,2,0,0,0,0|1,0,1]=4 4266 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)C 2230a_100000210958_100000033060 [0,2,0,0,0,0|1,0,1]=4 4267 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)C 34a_100000210958_100000033060 [0,2,0,0,0,0|1,0,1]=4 4268 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)C 7a_100000210958_100000033060 [0,2,0,0,0,0|1,0,1]=4 4269 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000033060 [0,2,0,0,0,0|1,0,1]=4 4270 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100000033060 [0,2,0,0,0,0|1,0,1]=4 4271 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000033060 [0,2,0,0,0,0|1,0,1]=4 4272 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)F 2230a_100000210724_100000033060 [0,2,0,0,0,0|1,0,1]=4 4273 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)F 34a_100000210724_100000033060 [0,2,0,0,0,0|1,0,1]=4 4274 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)F 7a_100000210724_100000033060 [0,2,0,0,0,0|1,0,1]=4 4275 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)I 34a_100011356925_100000033060 [0,2,0,0,0,0|1,0,1]=4 4276 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)I 7a_100011356925_100000033060 [0,2,0,0,0,0|1,0,1]=4 4277 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000033060 [0,2,0,0,0,0|1,0,1]=4 4278 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000033060 [0,2,0,0,0,0|1,0,1]=4 4279 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)I)Br 34a_100000750459_100000033060 [0,2,0,0,0,0|1,0,1]=4 4280 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)I)C 34a_100000184131_100000033060 [0,2,0,0,0,0|1,0,1]=4 4281 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)I)C 7a_100000184131_100000033060 [0,2,0,0,0,0|1,0,1]=4 4282 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000033060 [0,2,0,0,0,0|1,0,1]=4 4283 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)I)F 34a_114828291077_100000033060 [0,2,0,0,0,0|1,0,1]=4 4284 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)I)F 7a_114828291077_100000033060 [0,2,0,0,0,0|1,0,1]=4 4285 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)O)C 34a_100000759471_100000033060 [0,2,0,0,0,0|1,0,1]=4 4286 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)O)C 7a_100000759471_100000033060 [0,2,0,0,0,0|1,0,1]=4 4287 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000033060 [0,2,0,0,0,0|1,0,1]=4 4288 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)O)F 34a_100012017398_100000033060 [0,2,0,0,0,0|1,0,1]=4 4289 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)O)F 7a_100012017398_100000033060 [0,2,0,0,0,0|1,0,1]=4 4290 B16R1.20760 C=CCOC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000033060 [0,2,0,0,0,0|1,0,1]=4 4291 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Br)C 34a_100011380479_100000033060 [0,2,0,0,0,0|1,0,1]=4 4292 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Br)C 7a_100011380479_100000033060 [0,2,0,0,0,0|1,0,1]=4 4293 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000033060 [0,2,0,0,0,0|1,0,1]=4 4294 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000033060 [0,2,0,0,0,0|1,0,1]=4 4295 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Br)F 34a_100000693481_100000033060 [0,2,0,0,0,0|1,0,1]=4 4296 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Br)F 7a_100000693481_100000033060 [0,2,0,0,0,0|1,0,1]=4 4297 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Br)I 34a_100000701344_100000033060 [0,2,0,0,0,0|1,0,1]=4 4298 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Br)I 7a_100000701344_100000033060 [0,2,0,0,0,0|1,0,1]=4 4299 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Br)N 34a_100012001276_100000033060 [0,2,0,0,0,0|1,0,1]=4 4300 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Br)N 7a_100012001276_100000033060 [0,2,0,0,0,0|1,0,1]=4 4301 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)C)Br 34a_100000690111_100000033060 [0,2,0,0,0,0|1,0,1]=4 4302 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)C)Br 7a_100000690111_100000033060 [0,2,0,0,0,0|1,0,1]=4 4303 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)C)C 34a_100000210932_100000033060 [0,2,0,0,0,0|1,0,1]=4 4304 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)C)C 7a_100000210932_100000033060 [0,2,0,0,0,0|1,0,1]=4 4305 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)C)Cl 34a_100000211092_100000033060 [0,2,0,0,0,0|1,0,1]=4 4306 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)C)Cl 7a_100000211092_100000033060 [0,2,0,0,0,0|1,0,1]=4 4307 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)C)F 34a_100000751312_100000033060 [0,2,0,0,0,0|1,0,1]=4 4308 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)C)F 7a_100000751312_100000033060 [0,2,0,0,0,0|1,0,1]=4 4309 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)C)I 34a_100000729255_100000033060 [0,2,0,0,0,0|1,0,1]=4 4310 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)C)I 7a_100000729255_100000033060 [0,2,0,0,0,0|1,0,1]=4 4311 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)C)N 34a_100000756630_100000033060 [0,2,0,0,0,0|1,0,1]=4 4312 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)C)N 7a_100000756630_100000033060 [0,2,0,0,0,0|1,0,1]=4 4313 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000033060 [0,2,0,0,0,0|1,0,1]=4 4314 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000033060 [0,2,0,0,0,0|1,0,1]=4 4315 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Cl)C 34a_100011265682_100000033060 [0,2,0,0,0,0|1,0,1]=4 4316 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Cl)C 7a_100011265682_100000033060 [0,2,0,0,0,0|1,0,1]=4 4317 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000033060 [0,2,0,0,0,0|1,0,1]=4 4318 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000033060 [0,2,0,0,0,0|1,0,1]=4 4319 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Cl)F 34a_100000211030_100000033060 [0,2,0,0,0,0|1,0,1]=4 4320 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Cl)F 7a_100000211030_100000033060 [0,2,0,0,0,0|1,0,1]=4 4321 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Cl)I 34a_100000047559_100000033060 [0,2,0,0,0,0|1,0,1]=4 4322 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Cl)I 7a_100000047559_100000033060 [0,2,0,0,0,0|1,0,1]=4 4323 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Cl)N 34a_100011215599_100000033060 [0,2,0,0,0,0|1,0,1]=4 4324 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)Cl)N 7a_100011215599_100000033060 [0,2,0,0,0,0|1,0,1]=4 4325 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)F)Br 34a_100000755031_100000033060 [0,2,0,0,0,0|1,0,1]=4 4326 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)F)Br 7a_100000755031_100000033060 [0,2,0,0,0,0|1,0,1]=4 4327 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)F)C 34a_100000722560_100000033060 [0,2,0,0,0,0|1,0,1]=4 4328 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)F)C 7a_100000722560_100000033060 [0,2,0,0,0,0|1,0,1]=4 4329 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)F)Cl 34a_100000691581_100000033060 [0,2,0,0,0,0|1,0,1]=4 4330 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)F)Cl 7a_100000691581_100000033060 [0,2,0,0,0,0|1,0,1]=4 4331 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)F)F 34a_100000181275_100000033060 [0,2,0,0,0,0|1,0,1]=4 4332 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)F)F 7a_100000181275_100000033060 [0,2,0,0,0,0|1,0,1]=4 4333 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)F)I 34a_100009990212_100000033060 [0,2,0,0,0,0|1,0,1]=4 4334 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)F)I 7a_100009990212_100000033060 [0,2,0,0,0,0|1,0,1]=4 4335 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)F)N 34a_100000759473_100000033060 [0,2,0,0,0,0|1,0,1]=4 4336 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)F)N 7a_100000759473_100000033060 [0,2,0,0,0,0|1,0,1]=4 4337 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)I)Br 34a_100012339312_100000033060 [0,2,0,0,0,0|1,0,1]=4 4338 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)I)Br 7a_100012339312_100000033060 [0,2,0,0,0,0|1,0,1]=4 4339 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)I)Cl 34a_100000049588_100000033060 [0,2,0,0,0,0|1,0,1]=4 4340 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)I)Cl 7a_100000049588_100000033060 [0,2,0,0,0,0|1,0,1]=4 4341 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)I)N 34a_100010084370_100000033060 [0,2,0,0,0,0|1,0,1]=4 4342 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)I)N 7a_100010084370_100000033060 [0,2,0,0,0,0|1,0,1]=4 4343 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)N)Br 34a_100011999798_100000033060 [0,2,0,0,0,0|1,0,1]=4 4344 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)N)Br 7a_100011999798_100000033060 [0,2,0,0,0,0|1,0,1]=4 4345 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)N)C 34a_100011216113_100000033060 [0,2,0,0,0,0|1,0,1]=4 4346 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)N)C 7a_100011216113_100000033060 [0,2,0,0,0,0|1,0,1]=4 4347 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)N)Cl 34a_100011934297_100000033060 [0,2,0,0,0,0|1,0,1]=4 4348 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)N)F 34a_100012017239_100000033060 [0,2,0,0,0,0|1,0,1]=4 4349 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)N)F 7a_100012017239_100000033060 [0,2,0,0,0,0|1,0,1]=4 4350 B16R1.20760 C=CCOC(=O)COc1ccc(c(c1)N)N 34a_100025771000_100000033060 [0,2,0,0,0,0|1,0,1]=4 4351 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Br)Br 62a_100000033060_100012356285 [0,2,0,0,0,0|1,0,1]=4 4352 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100000033060 [0,2,0,0,0,0|1,0,1]=4 4353 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Br)C 62a_100000033060_100011847877 [0,2,0,0,0,0|1,0,1]=4 4354 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Br)C 62a_100011847877_100000033060 [0,2,0,0,0,0|1,0,1]=4 4355 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Br)Cl 62a_100000033060_100012353702 [0,2,0,0,0,0|1,0,1]=4 4356 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000033060 [0,2,0,0,0,0|1,0,1]=4 4357 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Br)F 62a_100000033060_100012047266 [0,2,0,0,0,0|1,0,1]=4 4358 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Br)F 62a_100012047266_100000033060 [0,2,0,0,0,0|1,0,1]=4 4359 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Br)N 62a_100000033060_100000750455 [0,2,0,0,0,0|1,0,1]=4 4360 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Br)N 62a_100000750455_100000033060 [0,2,0,0,0,0|1,0,1]=4 4361 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Br)O 62a_100000033060_100012361655 [0,2,0,0,0,0|1,0,1]=4 4362 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000033060 [0,2,0,0,0,0|1,0,1]=4 4363 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)C)Br 62a_100000033060_100009813585 [0,2,0,0,0,0|1,0,1]=4 4364 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)C)Br 62a_100009813585_100000033060 [0,2,0,0,0,0|1,0,1]=4 4365 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)C)C 62a_100000033060_100011215607 [0,2,0,0,0,0|1,0,1]=4 4366 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)C)C 62a_100011215607_100000033060 [0,2,0,0,0,0|1,0,1]=4 4367 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)C)Cl 62a_100000033060_100000049509 [0,2,0,0,0,0|1,0,1]=4 4368 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)C)Cl 62a_100000049509_100000033060 [0,2,0,0,0,0|1,0,1]=4 4369 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)C)F 62a_100000033060_100011218330 [0,2,0,0,0,0|1,0,1]=4 4370 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)C)F 62a_100011218330_100000033060 [0,2,0,0,0,0|1,0,1]=4 4371 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)C)N 62a_100000033060_100000211769 [0,2,0,0,0,0|1,0,1]=4 4372 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)C)N 62a_100000211769_100000033060 [0,2,0,0,0,0|1,0,1]=4 4373 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)C)O 62a_100000033060_100000186361 [0,2,0,0,0,0|1,0,1]=4 4374 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Cl)Br 62a_100000033060_100012047281 [0,2,0,0,0,0|1,0,1]=4 4375 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100000033060 [0,2,0,0,0,0|1,0,1]=4 4376 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Cl)C 62a_100000033060_100011216363 [0,2,0,0,0,0|1,0,1]=4 4377 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Cl)C 62a_100011216363_100000033060 [0,2,0,0,0,0|1,0,1]=4 4378 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100000033060_100011214914 [0,2,0,0,0,0|1,0,1]=4 4379 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000033060 [0,2,0,0,0,0|1,0,1]=4 4380 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Cl)F 62a_100000033060_100011215976 [0,2,0,0,0,0|1,0,1]=4 4381 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100000033060 [0,2,0,0,0,0|1,0,1]=4 4382 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Cl)N 62a_100000033060_100011218065 [0,2,0,0,0,0|1,0,1]=4 4383 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100000033060 [0,2,0,0,0,0|1,0,1]=4 4384 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Cl)O 62a_100000033060_100012360047 [0,2,0,0,0,0|1,0,1]=4 4385 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000033060 [0,2,0,0,0,0|1,0,1]=4 4386 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)F)Br 62a_100000033060_100000685389 [0,2,0,0,0,0|1,0,1]=4 4387 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)F)Br 62a_100000685389_100000033060 [0,2,0,0,0,0|1,0,1]=4 4388 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)F)C 62a_100000033060_100000720648 [0,2,0,0,0,0|1,0,1]=4 4389 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)F)C 62a_100000720648_100000033060 [0,2,0,0,0,0|1,0,1]=4 4390 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)F)Cl 62a_100000033060_100011216805 [0,2,0,0,0,0|1,0,1]=4 4391 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000033060 [0,2,0,0,0,0|1,0,1]=4 4392 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)F)F 62a_100000033060_100000703953 [0,2,0,0,0,0|1,0,1]=4 4393 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)F)F 62a_100000703953_100000033060 [0,2,0,0,0,0|1,0,1]=4 4394 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)F)N 62a_100000033060_100011215594 [0,2,0,0,0,0|1,0,1]=4 4395 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)F)N 62a_100011215594_100000033060 [0,2,0,0,0,0|1,0,1]=4 4396 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)F)O 62a_100000033060_100000185481 [0,2,0,0,0,0|1,0,1]=4 4397 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000033060 [0,2,0,0,0,0|1,0,1]=4 4398 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)N)Br 62a_100000033060_100000750456 [0,2,0,0,0,0|1,0,1]=4 4399 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)N)Br 62a_100000750456_100000033060 [0,2,0,0,0,0|1,0,1]=4 4400 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)N)C 62a_100000033060_100000761890 [0,2,0,0,0,0|1,0,1]=4 4401 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)N)C 62a_100000761890_100000033060 [0,2,0,0,0,0|1,0,1]=4 4402 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)N)Cl 62a_100000033060_200000761891 [0,2,0,0,0,0|1,0,1]=4 4403 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000033060 [0,2,0,0,0,0|1,0,1]=4 4404 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)N)F 62a_100000033060_100000740924 [0,2,0,0,0,0|1,0,1]=4 4405 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)N)F 62a_100000740924_100000033060 [0,2,0,0,0,0|1,0,1]=4 4406 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)N)N 62a_100000033060_100011534411 [0,2,0,0,0,0|1,0,1]=4 4407 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)N)N 62a_100000741789_100000033060 [0,2,0,0,0,0|1,0,1]=4 4408 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)N)O 62a_100000033060_100000752626 [0,2,0,0,0,0|1,0,1]=4 4409 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000033060 [0,2,0,0,0,0|1,0,1]=4 4410 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)O)Br 62a_100000033060_100012356990 [0,2,0,0,0,0|1,0,1]=4 4411 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)O)Br 62a_100012356990_100000033060 [0,2,0,0,0,0|1,0,1]=4 4412 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)O)C 62a_100000033060_100000685420 [0,2,0,0,0,0|1,0,1]=4 4413 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)O)C 62a_100000685420_100000033060 [0,2,0,0,0,0|1,0,1]=4 4414 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)O)Cl 62a_100000033060_100011356854 [0,2,0,0,0,0|1,0,1]=4 4415 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000033060 [0,2,0,0,0,0|1,0,1]=4 4416 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)O)F 62a_100000033060_100000686035 [0,2,0,0,0,0|1,0,1]=4 4417 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)O)F 62a_100000686035_100000033060 [0,2,0,0,0,0|1,0,1]=4 4418 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)O)N 62a_100000033060_100000739049 [0,2,0,0,0,0|1,0,1]=4 4419 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)O)N 62a_100000739049_100000033060 [0,2,0,0,0,0|1,0,1]=4 4420 B16R1.20760 C=CCOC(=O)CSc1ccc(c(c1)O)O 62a_100000033060_100009813601 [0,2,0,0,0,0|1,0,1]=4 4421 B16R1.658 C=CCCC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_100000754431 [0,2,0,0,0,0|1,0,0]=3 4422 B16R1.658 C=CCCC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_100000754431 [0,2,0,0,0,0|2,0,0]=4 4423 B16R1.658 C=CCNC(=O)/C(=C/c1ccc(cc1)F)/C 1626a_100020586998_100053117043 [0,2,0,0,0,0|1,0,0]=3 4424 B16R1.658 C=CCNC(=O)/C(=C/c1ccc(cc1)F)/C 240690a_100020586998_100053117043 [0,2,0,0,0,0|1,0,0]=3 4425 B16R1.658 C=CCNC(=O)/C(=C/c1ccc(cc1)F)/C 527a_100020586998_100053117043 [0,2,0,0,0,0|1,0,0]=3 4426 B16R1.658 C=CCNC(=O)C(=O)Nc1ccc(cc1)C 1626a_100020586998_100000189662 [0,2,0,0,0,0|2,0,0]=4 4427 B16R1.658 C=CCNC(=O)C(=O)Nc1ccc(cc1)C 240690a_100020586998_100000189662 [0,2,0,0,0,0|2,0,0]=4 4428 B16R1.658 C=CCNC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100020586998_100000199041 [0,2,0,0,0,0|2,0,0]=4 4429 B16R1.658 C=CCNC(=O)C(=O)Nc1ccc(cc1)Cl 240690a_100020586998_100000199041 [0,2,0,0,0,0|2,0,0]=4 4430 B16R1.658 C=CCNC(=O)C(=O)Nc1ccc(cc1)F 1626a_100020586998_100011297306 [0,2,0,0,0,0|2,0,0]=4 4431 B16R1.658 C=CCNC(=O)C(=O)Nc1ccc(cc1)F 240690a_100020586998_100011297306 [0,2,0,0,0,0|2,0,0]=4 4432 B16R1.658 C=CCNC(=O)C(=O)Sc1ccc(cc1)C 1626a_100020586998_100009913200 [0,2,0,0,0,0|2,0,0]=4 4433 B16R1.658 C=CCNC(=O)C(=O)Sc1ccc(cc1)C 240690a_100020586998_100009913200 [0,2,0,0,0,0|2,0,0]=4 4434 B16R1.658 C=CCNC(=O)C(=O)Sc1ccc(cc1)C 527a_100020586998_100009913200 [0,2,0,0,0,0|2,0,0]=4 4435 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)Br 11a_100000225617_100016267368 [0,2,0,0,0,0|1,0,0]=3 4436 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)Br 1626a_100000225617_100016267368 [0,2,0,0,0,0|1,0,0]=3 4437 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)C 11a_100000225617_100000716854 [0,2,0,0,0,0|1,0,0]=3 4438 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)C 1626a_100000225617_100000716854 [0,2,0,0,0,0|1,0,0]=3 4439 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)C 240690a_100000225617_100000716854 [0,2,0,0,0,0|1,0,0]=3 4440 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)Cl 11a_100000225617_100000184863 [0,2,0,0,0,0|1,0,0]=3 4441 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)Cl 1626a_100000225617_100000184863 [0,2,0,0,0,0|1,0,0]=3 4442 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)Cl 240690a_100000225617_100000184863 [0,2,0,0,0,0|1,0,0]=3 4443 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)F 11a_100000225617_100000182136 [0,2,0,0,0,0|1,0,0]=3 4444 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)F 1626a_100000225617_100000182136 [0,2,0,0,0,0|1,0,0]=3 4445 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)F 240690a_100000225617_100000182136 [0,2,0,0,0,0|1,0,0]=3 4446 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)I 11a_100000225617_100102526154 [0,2,0,0,0,0|1,0,0]=3 4447 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)I 1626a_100000225617_100102526154 [0,2,0,0,0,0|1,0,0]=3 4448 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)I 240690a_100000225617_100102526154 [0,2,0,0,0,0|1,0,0]=3 4449 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)O 240690a_100000225617_100016269017 [0,2,0,0,0,0|1,0,0]=3 4450 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cn1)F 11a_100000225617_100020630499 [0,2,0,0,0,0|2,0,0]=4 4451 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cn1)F 1626a_100000225617_100020630499 [0,2,0,0,0,0|2,0,0]=4 4452 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cn1)F 240690a_100000225617_100020630499 [0,2,0,0,0,0|2,0,0]=4 4453 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(nc1)Br 11a_100000225617_100020588214 [0,2,0,0,0,0|2,0,0]=4 4454 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(nc1)Br 1626a_100000225617_100020588214 [0,2,0,0,0,0|2,0,0]=4 4455 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(nc1)Br 240690a_100000225617_100020588214 [0,2,0,0,0,0|2,0,0]=4 4456 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000730704 [0,2,0,0,0,0|1,0,0]=3 4457 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000730704 [0,2,0,0,0,0|1,0,0]=3 4458 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000730704 [0,2,0,0,0,0|1,0,0]=3 4459 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000730704 [0,2,0,0,0,0|1,0,0]=3 4460 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000730704 [0,2,0,0,0,0|1,0,0]=3 4461 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000730704 [0,2,0,0,0,0|2,0,0]=4 4462 B16R1.1061 C=C(C)CCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000730704 [0,2,0,0,0,0|2,0,0]=4 4463 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Br 11a_100000765925_100016267368 [0,2,0,0,0,0|1,0,0]=3 4464 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Br 1626a_100000765925_100016267368 [0,2,0,0,0,0|1,0,0]=3 4465 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)C 11a_100000765925_100000716854 [0,2,0,0,0,0|1,0,0]=3 4466 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)C 1626a_100000765925_100000716854 [0,2,0,0,0,0|1,0,0]=3 4467 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)C 240690a_100000765925_100000716854 [0,2,0,0,0,0|1,0,0]=3 4468 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100000765925_100000184863 [0,2,0,0,0,0|1,0,0]=3 4469 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000765925_100000184863 [0,2,0,0,0,0|1,0,0]=3 4470 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000765925_100000184863 [0,2,0,0,0,0|1,0,0]=3 4471 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)F 11a_100000765925_100000182136 [0,2,0,0,0,0|1,0,0]=3 4472 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)F 1626a_100000765925_100000182136 [0,2,0,0,0,0|1,0,0]=3 4473 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000765925_100000182136 [0,2,0,0,0,0|1,0,0]=3 4474 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)I 11a_100000765925_100102526154 [0,2,0,0,0,0|1,0,0]=3 4475 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)I 1626a_100000765925_100102526154 [0,2,0,0,0,0|1,0,0]=3 4476 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000765925_100102526154 [0,2,0,0,0,0|1,0,0]=3 4477 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000765925_100016269017 [0,2,0,0,0,0|1,0,0]=3 4478 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cn1)F 11a_100000765925_100020630499 [0,2,0,0,0,0|2,0,0]=4 4479 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cn1)F 1626a_100000765925_100020630499 [0,2,0,0,0,0|2,0,0]=4 4480 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cn1)F 240690a_100000765925_100020630499 [0,2,0,0,0,0|2,0,0]=4 4481 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(nc1)Br 11a_100000765925_100020588214 [0,2,0,0,0,0|2,0,0]=4 4482 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(nc1)Br 1626a_100000765925_100020588214 [0,2,0,0,0,0|2,0,0]=4 4483 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(nc1)Br 240690a_100000765925_100020588214 [0,2,0,0,0,0|2,0,0]=4 4484 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(=O)N 11a_100000711301_100000716854 [0,2,0,0,0,0|2,0,0]=4 4485 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(=O)N 240690a_100000711301_100000716854 [0,2,0,0,0,0|2,0,0]=4 4486 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)Br 11a_100000711301_100016267368 [0,2,0,0,0,0|2,0,0]=4 4487 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100000711301_100000184863 [0,2,0,0,0,0|2,0,0]=4 4488 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000711301_100000184863 [0,2,0,0,0,0|2,0,0]=4 4489 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)F 11a_100000711301_100000182136 [0,2,0,0,0,0|2,0,0]=4 4490 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000711301_100000182136 [0,2,0,0,0,0|2,0,0]=4 4491 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)I 11a_100000711301_100102526154 [0,2,0,0,0,0|2,0,0]=4 4492 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000711301_100102526154 [0,2,0,0,0,0|2,0,0]=4 4493 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000711301_100016269017 [0,2,0,0,0,0|2,0,0]=4 4494 B16R1.1061 O=C(O)CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000210954 [0,2,0,0,0,0|2,0,0]=4 4495 B16R1.1061 O=C(O)CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000210954 [0,2,0,0,0,0|2,0,0]=4 4496 B16R1.1061 O=C(O)CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000210954 [0,2,0,0,0,0|2,0,0]=4 4497 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100000754431 [0,2,0,0,0,0|1,0,0]=3 4498 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100000762624 [0,2,0,0,0,0|1,0,0]=3 4499 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100000754431 [0,2,0,0,0,0|1,0,0]=3 4500 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100000754431 [0,2,0,0,0,0|1,0,0]=3 4501 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100000754431 [0,2,0,0,0,0|1,0,0]=3 4502 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100000762624 [0,2,0,0,0,0|1,0,0]=3 4503 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100000754431 [0,2,0,0,0,0|1,0,0]=3 4504 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100000762624 [0,2,0,0,0,0|1,0,0]=3 4505 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1F)C 6a_100011217368_100000762624 [0,2,0,0,0,0|1,0,0]=3 4506 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100000754431 [0,2,0,0,0,0|1,0,0]=3 4507 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100000754431 [0,2,0,0,0,0|1,0,0]=3 4508 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100000762624 [0,2,0,0,0,0|1,0,0]=3 4509 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100000762624 [0,2,0,0,0,0|1,0,0]=3 4510 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100000762624 [0,2,0,0,0,0|1,0,0]=3 4511 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1I)C 6a_100010150104_100000762624 [0,2,0,0,0,0|1,0,0]=3 4512 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100000762624 [0,2,0,0,0,0|1,0,0]=3 4513 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100000762624 [0,2,0,0,0,0|1,0,0]=3 4514 B16R1.1478 C=CCCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100000762624 [0,2,0,0,0,0|1,0,0]=3 4515 B16R1.1478 C=CCCC(=O)C=Cc1ncc(cc1Br)Br 6a_100000688198_100000762624 [0,2,0,0,0,0|2,0,0]=4 4516 B16R1.1478 C=CCCC(=O)C=Cc1ncc(cc1Br)Cl 6a_100010064872_100000762624 [0,2,0,0,0,0|2,0,0]=4 4517 B16R1.1478 C=CCCC(=O)C=Cc1ncc(cc1C)Br 6a_100010185443_100000762624 [0,2,0,0,0,0|2,0,0]=4 4518 B16R1.1478 C=CCCC(=O)C=Cc1ncc(cc1C)Cl 6a_200009887756_100000762624 [0,2,0,0,0,0|2,0,0]=4 4519 B16R1.1478 C=CCCC(=O)C=Cc1ncc(cc1Cl)Br 6a_100009814801_100000762624 [0,2,0,0,0,0|2,0,0]=4 4520 B16R1.1478 C=CCCC(=O)C=Cc1ncc(cc1Cl)Cl 6a_100011361609_100000762624 [0,2,0,0,0,0|2,0,0]=4 4521 B16R1.1478 C=CCCC(=O)C=Cc1ncc(cc1F)Br 6a_100010180630_100000762624 [0,2,0,0,0,0|2,0,0]=4 4522 B16R1.1478 C=CCCC(=O)C=Cc1ncc(cc1F)C 6a_100009845184_100000762624 [0,2,0,0,0,0|2,0,0]=4 4523 B16R1.1478 C=CCCC(=O)C=Cc1ncc(cc1F)Cl 6a_100009858488_100000762624 [0,2,0,0,0,0|2,0,0]=4 4524 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Br)F 1626a_100020586998_200102591336 [0,2,0,0,0,0|1,0,0]=3 4525 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Br)F 240690a_100020586998_200102591336 [0,2,0,0,0,0|1,0,0]=3 4526 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1C)C 1626a_100020586998_100000238256 [0,2,0,0,0,0|1,0,0]=3 4527 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1C)F 1626a_100020586998_100016280397 [0,2,0,0,0,0|1,0,0]=3 4528 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Cl)Br 1626a_100020586998_100102525105 [0,2,0,0,0,0|1,0,0]=3 4529 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100020586998_100102525105 [0,2,0,0,0,0|1,0,0]=3 4530 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Cl)Cl 1626a_100020586998_100016270030 [0,2,0,0,0,0|1,0,0]=3 4531 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100020586998_100016270030 [0,2,0,0,0,0|1,0,0]=3 4532 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Cl)F 1626a_100020586998_200102525072 [0,2,0,0,0,0|1,0,0]=3 4533 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100020586998_200102525072 [0,2,0,0,0,0|1,0,0]=3 4534 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1F)Br 1626a_100020586998_100011214948 [0,2,0,0,0,0|1,0,0]=3 4535 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1F)Br 240690a_100020586998_100011214948 [0,2,0,0,0,0|1,0,0]=3 4536 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1F)Cl 1626a_100020586998_100102561868 [0,2,0,0,0,0|1,0,0]=3 4537 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100020586998_100102561868 [0,2,0,0,0,0|1,0,0]=3 4538 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1F)F 1626a_100020586998_100011195072 [0,2,0,0,0,0|1,0,0]=3 4539 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1F)F 240690a_100020586998_100011195072 [0,2,0,0,0,0|1,0,0]=3 4540 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1Br)Br 34a_100000211012_100000033060 [0,2,0,0,0,0|1,0,1]=4 4541 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1Br)C 34a_100000210942_100000033060 [0,2,0,0,0,0|1,0,1]=4 4542 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1Br)Cl 34a_100000752454_100000033060 [0,2,0,0,0,0|1,0,1]=4 4543 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1Br)F 34a_100000738039_100000033060 [0,2,0,0,0,0|1,0,1]=4 4544 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1Br)O 34a_100012001276_100000033060 [0,2,0,0,0,0|1,0,1]=4 4545 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1C)Br 34a_100000211769_100000033060 [0,2,0,0,0,0|1,0,1]=4 4546 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1C)Br 7a_100000211769_100000033060 [0,2,0,0,0,0|1,0,1]=4 4547 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1C)C 34a_100000736561_100000033060 [0,2,0,0,0,0|1,0,1]=4 4548 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1C)C 7a_100000736561_100000033060 [0,2,0,0,0,0|1,0,1]=4 4549 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1C)Cl 34a_100000210418_100000033060 [0,2,0,0,0,0|1,0,1]=4 4550 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1C)Cl 7a_100000210418_100000033060 [0,2,0,0,0,0|1,0,1]=4 4551 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1C)F 34a_100000211637_100000033060 [0,2,0,0,0,0|1,0,1]=4 4552 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1C)F 7a_100000211637_100000033060 [0,2,0,0,0,0|1,0,1]=4 4553 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1C)I 34a_100000184554_100000033060 [0,2,0,0,0,0|1,0,1]=4 4554 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1C)I 7a_100000184554_100000033060 [0,2,0,0,0,0|1,0,1]=4 4555 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1C)O 34a_100000756630_100000033060 [0,2,0,0,0,0|1,0,1]=4 4556 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1Cl)Br 34a_100000211467_100000033060 [0,2,0,0,0,0|1,0,1]=4 4557 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1Cl)C 34a_100000210522_100000033060 [0,2,0,0,0,0|1,0,1]=4 4558 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000033060 [0,2,0,0,0,0|1,0,1]=4 4559 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1Cl)F 34a_100000212003_100000033060 [0,2,0,0,0,0|1,0,1]=4 4560 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1Cl)I 34a_100011218065_100000033060 [0,2,0,0,0,0|1,0,1]=4 4561 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1Cl)O 34a_100011215599_100000033060 [0,2,0,0,0,0|1,0,1]=4 4562 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1F)Br 34a_100000210722_100000033060 [0,2,0,0,0,0|1,0,1]=4 4563 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1F)C 34a_100000211023_100000033060 [0,2,0,0,0,0|1,0,1]=4 4564 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1F)Cl 34a_100000211020_100000033060 [0,2,0,0,0,0|1,0,1]=4 4565 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1F)F 34a_100000210720_100000033060 [0,2,0,0,0,0|1,0,1]=4 4566 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1F)I 34a_100011215594_100000033060 [0,2,0,0,0,0|1,0,1]=4 4567 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1F)O 34a_100000759473_100000033060 [0,2,0,0,0,0|1,0,1]=4 4568 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1I)Br 34a_100000187925_100000033060 [0,2,0,0,0,0|1,0,1]=4 4569 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1I)C 34a_100011356834_100000033060 [0,2,0,0,0,0|1,0,1]=4 4570 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1I)Cl 34a_100000761889_100000033060 [0,2,0,0,0,0|1,0,1]=4 4571 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1I)F 34a_100000760547_100000033060 [0,2,0,0,0,0|1,0,1]=4 4572 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1I)O 34a_100010084370_100000033060 [0,2,0,0,0,0|1,0,1]=4 4573 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1O)Br 34a_100000739049_100000033060 [0,2,0,0,0,0|1,0,1]=4 4574 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1O)C 34a_100000211527_100000033060 [0,2,0,0,0,0|1,0,1]=4 4575 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1O)Cl 34a_100000185728_100000033060 [0,2,0,0,0,0|1,0,1]=4 4576 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1O)F 34a_100000753323_100000033060 [0,2,0,0,0,0|1,0,1]=4 4577 B16R1.1478 C=CCOC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000033060 [0,2,0,0,0,0|1,0,1]=4 4578 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Br)Br 34a_100000188717_100000033060 [0,2,0,0,0,0|1,0,1]=4 4579 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Br)Br 7a_100000188717_100000033060 [0,2,0,0,0,0|1,0,1]=4 4580 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Br)C 34a_100000210800_100000033060 [0,2,0,0,0,0|1,0,1]=4 4581 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Br)C 7a_100000210800_100000033060 [0,2,0,0,0,0|1,0,1]=4 4582 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Br)Cl 34a_100000211998_100000033060 [0,2,0,0,0,0|1,0,1]=4 4583 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Br)Cl 7a_100000211998_100000033060 [0,2,0,0,0,0|1,0,1]=4 4584 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Br)F 34a_100000211999_100000033060 [0,2,0,0,0,0|1,0,1]=4 4585 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Br)F 7a_100000211999_100000033060 [0,2,0,0,0,0|1,0,1]=4 4586 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Br)I 34a_100012361655_100000033060 [0,2,0,0,0,0|1,0,1]=4 4587 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Br)I 7a_100012361655_100000033060 [0,2,0,0,0,0|1,0,1]=4 4588 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Br)N 34a_100011534360_100000033060 [0,2,0,0,0,0|1,0,1]=4 4589 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Br)N 7a_100011534360_100000033060 [0,2,0,0,0,0|1,0,1]=4 4590 B16R1.1478 C=CCOC(=O)COc1ccc(cc1C)Br 34a_100000186361_100000033060 [0,2,0,0,0,0|1,0,1]=4 4591 B16R1.1478 C=CCOC(=O)COc1ccc(cc1C)Br 7a_100000186361_100000033060 [0,2,0,0,0,0|1,0,1]=4 4592 B16R1.1478 C=CCOC(=O)COc1ccc(cc1C)C 34a_100000211776_100000033060 [0,2,0,0,0,0|1,0,1]=4 4593 B16R1.1478 C=CCOC(=O)COc1ccc(cc1C)C 7a_100000211776_100000033060 [0,2,0,0,0,0|1,0,1]=4 4594 B16R1.1478 C=CCOC(=O)COc1ccc(cc1C)Cl 34a_100000211091_100000033060 [0,2,0,0,0,0|1,0,1]=4 4595 B16R1.1478 C=CCOC(=O)COc1ccc(cc1C)Cl 7a_100000211091_100000033060 [0,2,0,0,0,0|1,0,1]=4 4596 B16R1.1478 C=CCOC(=O)COc1ccc(cc1C)F 34a_100000764316_100000033060 [0,2,0,0,0,0|1,0,1]=4 4597 B16R1.1478 C=CCOC(=O)COc1ccc(cc1C)F 7a_100000764316_100000033060 [0,2,0,0,0,0|1,0,1]=4 4598 B16R1.1478 C=CCOC(=O)COc1ccc(cc1C)I 34a_100011218673_100000033060 [0,2,0,0,0,0|1,0,1]=4 4599 B16R1.1478 C=CCOC(=O)COc1ccc(cc1C)I 7a_100011218673_100000033060 [0,2,0,0,0,0|1,0,1]=4 4600 B16R1.1478 C=CCOC(=O)COc1ccc(cc1C)N 34a_100011218179_100000033060 [0,2,0,0,0,0|1,0,1]=4 4601 B16R1.1478 C=CCOC(=O)COc1ccc(cc1C)N 7a_100011218179_100000033060 [0,2,0,0,0,0|1,0,1]=4 4602 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Cl)Br 34a_100000186472_100000033060 [0,2,0,0,0,0|1,0,1]=4 4603 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Cl)Br 7a_100000186472_100000033060 [0,2,0,0,0,0|1,0,1]=4 4604 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Cl)C 34a_100000749699_100000033060 [0,2,0,0,0,0|1,0,1]=4 4605 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Cl)C 7a_100000749699_100000033060 [0,2,0,0,0,0|1,0,1]=4 4606 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Cl)Cl 34a_100015191787_100000033060 [0,2,0,0,0,0|1,0,1]=4 4607 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Cl)Cl 7a_100015191787_100000033060 [0,2,0,0,0,0|1,0,1]=4 4608 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Cl)F 34a_100000212004_100000033060 [0,2,0,0,0,0|1,0,1]=4 4609 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Cl)F 7a_100000212004_100000033060 [0,2,0,0,0,0|1,0,1]=4 4610 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Cl)I 34a_100012360047_100000033060 [0,2,0,0,0,0|1,0,1]=4 4611 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Cl)I 7a_100012360047_100000033060 [0,2,0,0,0,0|1,0,1]=4 4612 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Cl)N 34a_100000744943_100000033060 [0,2,0,0,0,0|1,0,1]=4 4613 B16R1.1478 C=CCOC(=O)COc1ccc(cc1Cl)N 7a_100000744943_100000033060 [0,2,0,0,0,0|1,0,1]=4 4614 B16R1.1478 C=CCOC(=O)COc1ccc(cc1F)Br 34a_100000185481_100000033060 [0,2,0,0,0,0|1,0,1]=4 4615 B16R1.1478 C=CCOC(=O)COc1ccc(cc1F)Br 7a_100000185481_100000033060 [0,2,0,0,0,0|1,0,1]=4 4616 B16R1.1478 C=CCOC(=O)COc1ccc(cc1F)C 34a_100011216688_100000033060 [0,2,0,0,0,0|1,0,1]=4 4617 B16R1.1478 C=CCOC(=O)COc1ccc(cc1F)C 7a_100011216688_100000033060 [0,2,0,0,0,0|1,0,1]=4 4618 B16R1.1478 C=CCOC(=O)COc1ccc(cc1F)Cl 34a_100000230166_100000033060 [0,2,0,0,0,0|1,0,1]=4 4619 B16R1.1478 C=CCOC(=O)COc1ccc(cc1F)Cl 7a_100000230166_100000033060 [0,2,0,0,0,0|1,0,1]=4 4620 B16R1.1478 C=CCOC(=O)COc1ccc(cc1F)F 34a_100000230127_100000033060 [0,2,0,0,0,0|1,0,1]=4 4621 B16R1.1478 C=CCOC(=O)COc1ccc(cc1F)F 7a_100000230127_100000033060 [0,2,0,0,0,0|1,0,1]=4 4622 B16R1.1478 C=CCOC(=O)COc1ccc(cc1F)I 34a_100011356965_100000033060 [0,2,0,0,0,0|1,0,1]=4 4623 B16R1.1478 C=CCOC(=O)COc1ccc(cc1F)I 7a_100011356965_100000033060 [0,2,0,0,0,0|1,0,1]=4 4624 B16R1.1478 C=CCOC(=O)COc1ccc(cc1F)N 34a_100011220035_100000033060 [0,2,0,0,0,0|1,0,1]=4 4625 B16R1.1478 C=CCOC(=O)COc1ccc(cc1F)N 7a_100011220035_100000033060 [0,2,0,0,0,0|1,0,1]=4 4626 B16R1.1478 C=CCOC(=O)COc1ccc(cc1I)Br 34a_100012355227_100000033060 [0,2,0,0,0,0|1,0,1]=4 4627 B16R1.1478 C=CCOC(=O)COc1ccc(cc1I)Br 7a_100012355227_100000033060 [0,2,0,0,0,0|1,0,1]=4 4628 B16R1.1478 C=CCOC(=O)COc1ccc(cc1I)C 34a_100000765521_100000033060 [0,2,0,0,0,0|1,0,1]=4 4629 B16R1.1478 C=CCOC(=O)COc1ccc(cc1I)C 7a_100000765521_100000033060 [0,2,0,0,0,0|1,0,1]=4 4630 B16R1.1478 C=CCOC(=O)COc1ccc(cc1I)Cl 34a_100011356953_100000033060 [0,2,0,0,0,0|1,0,1]=4 4631 B16R1.1478 C=CCOC(=O)COc1ccc(cc1I)Cl 7a_100011356953_100000033060 [0,2,0,0,0,0|1,0,1]=4 4632 B16R1.1478 C=CCOC(=O)COc1ccc(cc1I)F 34a_100012355409_100000033060 [0,2,0,0,0,0|1,0,1]=4 4633 B16R1.1478 C=CCOC(=O)COc1ccc(cc1I)F 7a_100012355409_100000033060 [0,2,0,0,0,0|1,0,1]=4 4634 B16R1.1478 C=CCOC(=O)COc1ccc(cc1I)I 7a_100010001573_100000033060 [0,2,0,0,0,0|1,0,1]=4 4635 B16R1.1478 C=CCOC(=O)COc1ccc(cc1N)Br 34a_100000752626_100000033060 [0,2,0,0,0,0|1,0,1]=4 4636 B16R1.1478 C=CCOC(=O)COc1ccc(cc1N)Br 7a_100000752626_100000033060 [0,2,0,0,0,0|1,0,1]=4 4637 B16R1.1478 C=CCOC(=O)COc1ccc(cc1N)C 34a_100011215204_100000033060 [0,2,0,0,0,0|1,0,1]=4 4638 B16R1.1478 C=CCOC(=O)COc1ccc(cc1N)C 7a_100011215204_100000033060 [0,2,0,0,0,0|1,0,1]=4 4639 B16R1.1478 C=CCOC(=O)COc1ccc(cc1N)Cl 34a_100000210500_100000033060 [0,2,0,0,0,0|1,0,1]=4 4640 B16R1.1478 C=CCOC(=O)COc1ccc(cc1N)Cl 7a_100000210500_100000033060 [0,2,0,0,0,0|1,0,1]=4 4641 B16R1.1478 C=CCOC(=O)COc1ccc(cc1N)F 34a_100000759472_100000033060 [0,2,0,0,0,0|1,0,1]=4 4642 B16R1.1478 C=CCOC(=O)COc1ccc(cc1N)F 7a_100000759472_100000033060 [0,2,0,0,0,0|1,0,1]=4 4643 B16R1.1478 C=CCOC(=O)COc1ccc(cc1N)I 34a_100000753495_100000033060 [0,2,0,0,0,0|1,0,1]=4 4644 B16R1.1478 C=CCOC(=O)COc1ccc(cc1N)I 7a_100000753495_100000033060 [0,2,0,0,0,0|1,0,1]=4 4645 B16R1.1478 C=CCOC(=O)COc1ccc(cc1N)N 34a_100000725306_100000033060 [0,2,0,0,0,0|1,0,1]=4 4646 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Br)Br 62a_100000033060_100011484698 [0,2,0,0,0,0|1,0,1]=4 4647 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Br)Br 62a_100011484698_100000033060 [0,2,0,0,0,0|1,0,1]=4 4648 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Br)C 62a_100000033060_100009813563 [0,2,0,0,0,0|1,0,1]=4 4649 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Br)C 62a_100009813563_100000033060 [0,2,0,0,0,0|1,0,1]=4 4650 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Br)Cl 62a_100000033060_100011219703 [0,2,0,0,0,0|1,0,1]=4 4651 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Br)Cl 62a_100011219703_100000033060 [0,2,0,0,0,0|1,0,1]=4 4652 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Br)F 62a_100000033060_100011217111 [0,2,0,0,0,0|1,0,1]=4 4653 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Br)F 62a_100011217111_100000033060 [0,2,0,0,0,0|1,0,1]=4 4654 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Br)N 62a_100000033060_100000750458 [0,2,0,0,0,0|1,0,1]=4 4655 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Br)N 62a_100000750458_100000033060 [0,2,0,0,0,0|1,0,1]=4 4656 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Br)O 62a_100000033060_100000701344 [0,2,0,0,0,0|1,0,1]=4 4657 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Br)O 62a_100000701344_100000033060 [0,2,0,0,0,0|1,0,1]=4 4658 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1C)Br 62a_100000033060_100000701812 [0,2,0,0,0,0|1,0,1]=4 4659 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1C)Br 62a_100000701812_100000033060 [0,2,0,0,0,0|1,0,1]=4 4660 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1C)C 62a_100000033060_100011217332 [0,2,0,0,0,0|1,0,1]=4 4661 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1C)C 62a_100011217332_100000033060 [0,2,0,0,0,0|1,0,1]=4 4662 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1C)Cl 62a_100000033060_100011219607 [0,2,0,0,0,0|1,0,1]=4 4663 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1C)Cl 62a_100011219607_100000033060 [0,2,0,0,0,0|1,0,1]=4 4664 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1C)F 62a_100000033060_100011205405 [0,2,0,0,0,0|1,0,1]=4 4665 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1C)F 62a_100011205405_100000033060 [0,2,0,0,0,0|1,0,1]=4 4666 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1C)N 62a_100000033060_100000210723 [0,2,0,0,0,0|1,0,1]=4 4667 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1C)N 62a_100000210723_100000033060 [0,2,0,0,0,0|1,0,1]=4 4668 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1C)O 62a_100000033060_100000690111 [0,2,0,0,0,0|1,0,1]=4 4669 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Cl)Br 62a_100000033060_100011216062 [0,2,0,0,0,0|1,0,1]=4 4670 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Cl)Br 62a_100011216062_100000033060 [0,2,0,0,0,0|1,0,1]=4 4671 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Cl)C 62a_100000033060_100011263221 [0,2,0,0,0,0|1,0,1]=4 4672 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Cl)C 62a_100011263221_100000033060 [0,2,0,0,0,0|1,0,1]=4 4673 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Cl)Cl 62a_100000033060_100000699841 [0,2,0,0,0,0|1,0,1]=4 4674 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000033060 [0,2,0,0,0,0|1,0,1]=4 4675 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Cl)F 62a_100000033060_100000733362 [0,2,0,0,0,0|1,0,1]=4 4676 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Cl)F 62a_100000733362_100000033060 [0,2,0,0,0,0|1,0,1]=4 4677 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Cl)N 62a_100000033060_100000761885 [0,2,0,0,0,0|1,0,1]=4 4678 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Cl)N 62a_100000761885_100000033060 [0,2,0,0,0,0|1,0,1]=4 4679 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Cl)O 62a_100000033060_100000047559 [0,2,0,0,0,0|1,0,1]=4 4680 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1Cl)O 62a_100000047559_100000033060 [0,2,0,0,0,0|1,0,1]=4 4681 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1F)Br 62a_100000033060_100009814013 [0,2,0,0,0,0|1,0,1]=4 4682 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1F)Br 62a_100009814013_100000033060 [0,2,0,0,0,0|1,0,1]=4 4683 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1F)C 62a_100000033060_100011216119 [0,2,0,0,0,0|1,0,1]=4 4684 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1F)C 62a_100011216119_100000033060 [0,2,0,0,0,0|1,0,1]=4 4685 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1F)Cl 62a_100000033060_100011216042 [0,2,0,0,0,0|1,0,1]=4 4686 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1F)Cl 62a_100011216042_100000033060 [0,2,0,0,0,0|1,0,1]=4 4687 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1F)F 62a_100000033060_100000750030 [0,2,0,0,0,0|1,0,1]=4 4688 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1F)F 62a_100000750030_100000033060 [0,2,0,0,0,0|1,0,1]=4 4689 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1F)N 62a_100000033060_100011356925 [0,2,0,0,0,0|1,0,1]=4 4690 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1F)N 62a_100011356925_100000033060 [0,2,0,0,0,0|1,0,1]=4 4691 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1F)O 62a_100000033060_100000755031 [0,2,0,0,0,0|1,0,1]=4 4692 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1F)O 62a_100000755031_100000033060 [0,2,0,0,0,0|1,0,1]=4 4693 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1N)Br 62a_100000033060_100000743836 [0,2,0,0,0,0|1,0,1]=4 4694 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1N)Br 62a_100000743836_100000033060 [0,2,0,0,0,0|1,0,1]=4 4695 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1N)C 62a_100000033060_100011216686 [0,2,0,0,0,0|1,0,1]=4 4696 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1N)C 62a_100011216686_100000033060 [0,2,0,0,0,0|1,0,1]=4 4697 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1N)Cl 62a_100000033060_100000761886 [0,2,0,0,0,0|1,0,1]=4 4698 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1N)Cl 62a_100000761886_100000033060 [0,2,0,0,0,0|1,0,1]=4 4699 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1N)F 62a_100000033060_100000687223 [0,2,0,0,0,0|1,0,1]=4 4700 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1N)F 62a_100000687223_100000033060 [0,2,0,0,0,0|1,0,1]=4 4701 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1N)N 62a_100000033060_200012175722 [0,2,0,0,0,0|1,0,1]=4 4702 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1N)N 62a_200012175722_100000033060 [0,2,0,0,0,0|1,0,1]=4 4703 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1N)O 62a_100000033060_100011999798 [0,2,0,0,0,0|1,0,1]=4 4704 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1N)O 62a_100011999798_100000033060 [0,2,0,0,0,0|1,0,1]=4 4705 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1O)Br 62a_100000033060_100012344904 [0,2,0,0,0,0|1,0,1]=4 4706 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1O)Br 62a_100012344904_100000033060 [0,2,0,0,0,0|1,0,1]=4 4707 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1O)C 62a_100000033060_100012002257 [0,2,0,0,0,0|1,0,1]=4 4708 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1O)C 62a_100012002257_100000033060 [0,2,0,0,0,0|1,0,1]=4 4709 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1O)Cl 62a_100000033060_100000050036 [0,2,0,0,0,0|1,0,1]=4 4710 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1O)Cl 62a_100000050036_100000033060 [0,2,0,0,0,0|1,0,1]=4 4711 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1O)F 62a_100000033060_100000690578 [0,2,0,0,0,0|1,0,1]=4 4712 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1O)F 62a_100000690578_100000033060 [0,2,0,0,0,0|1,0,1]=4 4713 B16R1.1478 C=CCOC(=O)CSc1ccc(cc1O)O 62a_100000033060_100009813921 [0,2,0,0,0,0|1,0,1]=4 4714 B16R1.1480 C#Cc1ccc(cc1)NCC(=O)OCC=C 34a_100011215031_100000033060 [0,2,0,0,0,0|1,0,1]=4 4715 B16R1.1480 C=CCCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100000754431 [0,2,0,0,0,0|1,0,0]=3 4716 B16R1.1480 C=CCCC(=O)C=Cc1ccc(cc1)CC 1458a_100000187855_100000754431 [0,2,0,0,0,0|1,0,0]=3 4717 B16R1.1480 C=CCCC(=O)C=Cc1ccc(cc1)OC 1458a_100000184205_100000754431 [0,2,0,0,0,0|1,0,0]=3 4718 B16R1.1480 C=CCCC(=O)C=Cc1ccc(cc1)SC 1458a_100102526083_100000754431 [0,2,0,0,0,0|1,0,0]=3 4719 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)C#N 1626a_100020586998_100000185084 [0,2,0,0,0,0|1,0,0]=3 4720 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)C#N 240690a_100020586998_100000185084 [0,2,0,0,0,0|1,0,0]=3 4721 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)CC 1626a_100020586998_100000187855 [0,2,0,0,0,0|1,0,0]=3 4722 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)CC 240690a_100020586998_100000187855 [0,2,0,0,0,0|1,0,0]=3 4723 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)OC 1626a_100020586998_100000184205 [0,2,0,0,0,0|1,0,0]=3 4724 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)OC 527a_100020586998_100000184205 [0,2,0,0,0,0|1,0,0]=3 4725 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)SC 1626a_100020586998_100102526083 [0,2,0,0,0,0|1,0,0]=3 4726 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)SC 240690a_100020586998_100102526083 [0,2,0,0,0,0|1,0,0]=3 4727 B16R1.1480 C=CCOC(=O)CNc1ccc(cc1)C#N 34a_100000185469_100000033060 [0,2,0,0,0,0|1,0,1]=4 4728 B16R1.1480 C=CCOC(=O)CNc1ccc(cc1)C=C 34a_100011218248_100000033060 [0,2,0,0,0,0|1,0,1]=4 4729 B16R1.1480 C=CCOC(=O)CNc1ccc(cc1)CC 2230a_100000211069_100000033060 [0,2,0,0,0,0|1,0,1]=4 4730 B16R1.1480 C=CCOC(=O)CNc1ccc(cc1)CC 34a_100000211069_100000033060 [0,2,0,0,0,0|1,0,1]=4 4731 B16R1.1480 C=CCOC(=O)CNc1ccc(cc1)CO 2230a_100011215238_100000033060 [0,2,0,0,0,0|1,0,1]=4 4732 B16R1.1480 C=CCOC(=O)CNc1ccc(cc1)CO 34a_100011215238_100000033060 [0,2,0,0,0,0|1,0,1]=4 4733 B16R1.1480 C=CCOC(=O)CNc1ccc(cc1)OC 34a_100000184247_100000033060 [0,2,0,0,0,0|1,0,1]=4 4734 B16R1.1480 C=CCOC(=O)CNc1ccc(cc1)SC 34a_100000212337_100000033060 [0,2,0,0,0,0|1,0,1]=4 4735 B16R1.1480 C=CCOC(=O)COc1ccc(cc1)C#N 34a_100000210344_100000033060 [0,2,0,0,0,0|1,0,1]=4 4736 B16R1.1480 C=CCOC(=O)COc1ccc(cc1)C#N 7a_100000210344_100000033060 [0,2,0,0,0,0|1,0,1]=4 4737 B16R1.1480 C=CCOC(=O)COc1ccc(cc1)C=C 34a_100000189437_100000033060 [0,2,0,0,0,0|1,0,1]=4 4738 B16R1.1480 C=CCOC(=O)COc1ccc(cc1)C=C 7a_100000189437_100000033060 [0,2,0,0,0,0|1,0,1]=4 4739 B16R1.1480 C=CCOC(=O)COc1ccc(cc1)CC 34a_100000211359_100000033060 [0,2,0,0,0,0|1,0,1]=4 4740 B16R1.1480 C=CCOC(=O)COc1ccc(cc1)CC 7a_100000211359_100000033060 [0,2,0,0,0,0|1,0,1]=4 4741 B16R1.1480 C=CCOC(=O)COc1ccc(cc1)CN 34a_100000185549_100000033060 [0,2,0,0,0,0|1,0,1]=4 4742 B16R1.1480 C=CCOC(=O)COc1ccc(cc1)CO 34a_100000211755_100000033060 [0,2,0,0,0,0|1,0,1]=4 4743 B16R1.1480 C=CCOC(=O)COc1ccc(cc1)NC 34a_100000182112_100000033060 [0,2,0,0,0,0|1,0,1]=4 4744 B16R1.1480 C=CCOC(=O)COc1ccc(cc1)OC 34a_100000210503_100000033060 [0,2,0,0,0,0|1,0,1]=4 4745 B16R1.1480 C=CCOC(=O)COc1ccc(cc1)SC 34a_100000211864_100000033060 [0,2,0,0,0,0|1,0,1]=4 4746 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)C#N 62a_100000033060_100000184291 [0,2,0,0,0,0|1,0,1]=4 4747 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)C=C 62a_100000033060_100000748128 [0,2,0,0,0,0|1,0,1]=4 4748 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)C=C 62a_100000748128_100000033060 [0,2,0,0,0,0|1,0,1]=4 4749 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)C=O 62a_100000033060_100000188517 [0,2,0,0,0,0|1,0,1]=4 4750 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)C=O 62a_100000188517_100000033060 [0,2,0,0,0,0|1,0,1]=4 4751 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)CC 62a_100000033060_100011215824 [0,2,0,0,0,0|1,0,1]=4 4752 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)CC 62a_100011215824_100000033060 [0,2,0,0,0,0|1,0,1]=4 4753 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)CF 62a_100000033060_100010268989 [0,2,0,0,0,0|1,0,1]=4 4754 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)CF 62a_100010268989_100000033060 [0,2,0,0,0,0|1,0,1]=4 4755 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)CN 62a_100000033060_100016989417 [0,2,0,0,0,0|1,0,1]=4 4756 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)CN 62a_100016989417_100000033060 [0,2,0,0,0,0|1,0,1]=4 4757 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)CO 62a_100000033060_100000690907 [0,2,0,0,0,0|1,0,1]=4 4758 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)CO 62a_100000690907_100000033060 [0,2,0,0,0,0|1,0,1]=4 4759 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)NC 62a_100000033060_100000743151 [0,2,0,0,0,0|1,0,1]=4 4760 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)NC 62a_100000743151_100000033060 [0,2,0,0,0,0|1,0,1]=4 4761 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)NN 62a_100000033060_100016988836 [0,2,0,0,0,0|1,0,1]=4 4762 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)NN 62a_100016988836_100000033060 [0,2,0,0,0,0|1,0,1]=4 4763 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)OC 62a_100000033060_100000171711 [0,2,0,0,0,0|1,0,1]=4 4764 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)SC 62a_100000033060_100011263217 [0,2,0,0,0,0|1,0,1]=4 4765 B16R1.1480 C=CCOC(=O)CSc1ccc(cc1)SC 62a_100011263217_100000033060 [0,2,0,0,0,0|1,0,1]=4 4766 B16R1.126 C=CCCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000754431 [0,2,0,0,0,0|1,0,0]=3 4767 B16R1.126 C=CCNC(=O)C(=Cc1ccccc1)C#N 527a_100020586998_100000162679 [0,2,0,0,0,0|1,0,0]=3 4768 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccc1)/C 11a_100000225617_100016990649 [0,2,0,0,0,0|1,0,0]=3 4769 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccc1)/C 1626a_100000225617_100016990649 [0,2,0,0,0,0|1,0,0]=3 4770 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccc1)/C 527a_100000225617_100016990649 [0,2,0,0,0,0|1,0,0]=3 4771 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 11a_100000225617_200020598536 [0,2,0,0,0,0|1,0,0]=3 4772 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 1626a_100000225617_200020598536 [0,2,0,0,0,0|1,0,0]=3 4773 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 240690a_100000225617_200020598536 [0,2,0,0,0,0|1,0,0]=3 4774 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 527a_100000225617_200020598536 [0,2,0,0,0,0|1,0,0]=3 4775 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccn1)/C 11a_100000225617_100025712827 [0,2,0,0,0,0|2,0,0]=4 4776 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccn1)/C 1626a_100000225617_100025712827 [0,2,0,0,0,0|2,0,0]=4 4777 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccn1)/C 527a_100000225617_100025712827 [0,2,0,0,0,0|2,0,0]=4 4778 B16R1.945 C=CCN(C)C(=O)/C(=C\c1ccccc1)/F 11a_100000225617_100020889036 [0,2,0,0,0,0|1,0,0]=3 4779 B16R1.945 C=CCN(C)C(=O)/C(=C\c1ccccc1)/F 527a_100000225617_100020889036 [0,2,0,0,0,0|1,0,0]=3 4780 B16R1.945 C=CCN(C)C(=O)C(=C)Cc1ccccc1 11a_100000225617_100000066491 [0,2,0,0,0,0|1,0,1]=4 4781 B16R1.945 C=CCN(C)C(=O)C(=C)Cc1ccccc1 1626a_100000225617_100000066491 [0,2,0,0,0,0|1,0,1]=4 4782 B16R1.945 C=CCN(C)C(=O)C(=Cc1cccnc1)F 11a_100000225617_100000731744 [0,2,0,0,0,0|2,0,0]=4 4783 B16R1.945 C=CCN(C)C(=O)C(=Cc1cccnc1)F 240690a_100000225617_100000731744 [0,2,0,0,0,0|2,0,0]=4 4784 B16R1.945 C=CCN(C)C(=O)C(=Cc1cccnc1)F 527a_100000225617_100000731744 [0,2,0,0,0,0|2,0,0]=4 4785 B16R1.945 C=CCN(C)C(=O)C(=O)Nc1ccccc1 240690a_100000225617_100000738435 [0,2,0,0,0,0|2,0,0]=4 4786 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(=O)N 11a_100000711301_100016990649 [0,2,0,0,0,0|2,0,0]=4 4787 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(=O)N 527a_100000711301_100016990649 [0,2,0,0,0,0|2,0,0]=4 4788 B16R1.1284 C=C(C)CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000730704 [0,2,0,0,0,0|1,0,0]=3 4789 B16R1.1284 C=C(C)CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000730704 [0,2,0,0,0,0|1,0,0]=3 4790 B16R1.1284 C=C(C)CCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000730704 [0,2,0,0,0,0|2,0,0]=4 4791 B16R1.1284 C=C(C)CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000730704 [0,2,0,0,0,0|1,0,0]=3 4792 B16R1.1284 C=C(C)CCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000730704 [0,2,0,0,0,0|2,0,0]=4 4793 B16R1.1284 C=C(C)CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000730704 [0,2,0,0,0,0|2,0,0]=4 4794 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/C 11a_100000765925_100016990649 [0,2,0,0,0,0|1,0,0]=3 4795 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/C 1626a_100000765925_100016990649 [0,2,0,0,0,0|1,0,0]=3 4796 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/C 527a_100000765925_100016990649 [0,2,0,0,0,0|1,0,0]=3 4797 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000765925_200020598536 [0,2,0,0,0,0|1,0,0]=3 4798 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000765925_200020598536 [0,2,0,0,0,0|1,0,0]=3 4799 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000765925_200020598536 [0,2,0,0,0,0|1,0,0]=3 4800 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000765925_200020598536 [0,2,0,0,0,0|1,0,0]=3 4801 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccn1)/C 11a_100000765925_100025712827 [0,2,0,0,0,0|2,0,0]=4 4802 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccn1)/C 1626a_100000765925_100025712827 [0,2,0,0,0,0|2,0,0]=4 4803 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccn1)/C 527a_100000765925_100025712827 [0,2,0,0,0,0|2,0,0]=4 4804 B16R1.1284 C=C(C)CNC(=O)/C(=C\c1ccccc1)/F 11a_100000765925_100020889036 [0,2,0,0,0,0|1,0,0]=3 4805 B16R1.1284 C=C(C)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000765925_100020889036 [0,2,0,0,0,0|1,0,0]=3 4806 B16R1.1284 C=C(C)CNC(=O)C(=C)Cc1ccccc1 11a_100000765925_100000066491 [0,2,0,0,0,0|1,0,1]=4 4807 B16R1.1284 C=C(C)CNC(=O)C(=C)Cc1ccccc1 1626a_100000765925_100000066491 [0,2,0,0,0,0|1,0,1]=4 4808 B16R1.1284 C=C(C)CNC(=O)C(=Cc1cccnc1)F 11a_100000765925_100000731744 [0,2,0,0,0,0|2,0,0]=4 4809 B16R1.1284 C=C(C)CNC(=O)C(=Cc1cccnc1)F 240690a_100000765925_100000731744 [0,2,0,0,0,0|2,0,0]=4 4810 B16R1.1284 C=C(C)CNC(=O)C(=Cc1cccnc1)F 527a_100000765925_100000731744 [0,2,0,0,0,0|2,0,0]=4 4811 B16R1.1284 C=C(C)CNC(=O)C(=O)Nc1ccccc1 240690a_100000765925_100000738435 [0,2,0,0,0,0|2,0,0]=4 4812 B16R1.1284 NC(=O)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000711301_200020598536 [0,2,0,0,0,0|2,0,0]=4 4813 B16R1.1284 NC(=O)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000711301_200020598536 [0,2,0,0,0,0|2,0,0]=4 4814 B16R1.1284 NC(=O)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000711301_200020598536 [0,2,0,0,0,0|2,0,0]=4 4815 B16R1.1284 NC(=O)CNC(=O)/C(=C\c1ccccc1)/F 11a_100000711301_100020889036 [0,2,0,0,0,0|2,0,0]=4 4816 B16R1.1284 NC(=O)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000711301_100020889036 [0,2,0,0,0,0|2,0,0]=4 4817 B16R1.1793 C=CCOC(=O)C(F)(F)Nc1ccccc1 34a_100000106764_200000069019 [0,2,0,0,0,0|1,0,1]=4 4818 B16R1.1793 C=CCOC(=O)C(F)(F)Oc1ccccc1 34a_100000210340_200000069019 [0,2,0,0,0,0|1,0,1]=4 4819 B16R1.1793 C=CCOC(=O)C(F)(F)Oc1ccccc1 7a_100000210340_200000069019 [0,2,0,0,0,0|1,0,1]=4 4820 B16R1.1793 C=CCOC(=O)C(F)(F)Sc1ccccc1 62a_100000719477_200000069019 [0,2,0,0,0,0|1,0,1]=4 4821 B16R1.1793 C=CCOC(=O)C(F)(F)Sc1ccccc1 62a_200000069019_100000041952 [0,2,0,0,0,0|1,0,1]=4 4822 B16R1.7523 C=CCCC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_100000754431 [0,2,0,0,0,0|1,0,0]=3 4823 B16R1.7523 C=CCCC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_100000754431 [0,2,0,0,0,0|2,0,0]=4 4824 B16R1.7523 C=CCCC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_100000754431 [0,2,0,0,0,0|2,0,0]=4 4825 B16R1.7523 C=CCNC(=O)C(=Cc1ccccc1Cl)C 1626a_100020586998_100000693296 [0,2,0,0,0,0|1,0,0]=3 4826 B16R1.7523 C=CCNC(=O)C(=Cc1ccccc1Cl)C 240690a_100020586998_100000693296 [0,2,0,0,0,0|1,0,0]=3 4827 B16R1.7523 C=CCNC(=O)C(=Cc1ccccc1Cl)C 527a_100020586998_100000693296 [0,2,0,0,0,0|1,0,0]=3 4828 B16R1.7523 C=CCNC(=O)C(=O)Nc1ccccc1C 240690a_100020586998_200011297352 [0,2,0,0,0,0|2,0,0]=4 4829 B16R1.7523 C=CCNC(=O)C(=O)Nc1ccccc1Cl 240690a_100020586998_200011297307 [0,2,0,0,0,0|2,0,0]=4 4830 B16R1.7523 C=CCNC(=O)C(=O)Nc1ccccc1F 240690a_100020586998_200011297310 [0,2,0,0,0,0|2,0,0]=4 4831 B16R1.4122 CC(=O)C(C)NC(=O)C=Cc1ccccc1 1458a_100015194556_200000210301 [0,2,0,0,0,0|1,0,1]=4 4832 B16R1.4122 CC(NC(=O)C=Cc1ccccc1)C(=O)[13CH3] 1458a_100015194556_200025704644 [0,2,0,0,0,0|1,0,1]=4 4833 B16R1.4122 C[C@@H](NC(=O)C=Cc1ccccc1)C(=O)N 11a_100000119354_100000210462 [0,2,0,0,0,0|2,0,0]=4 4834 B16R1.7289 C=C[C@@H](CO)NC(=O)C=Cc1ccccn1 240690a_100016989147_100000740811 [0,2,0,0,0,0|2,0,0]=4 4835 B16R1.7289 C=C[C@@H](CO)NC(=O)C=Cc1cccnc1 240690a_100016989147_100000735890 [0,2,0,0,0,0|2,0,0]=4 4836 B16R1.7289 C=C[C@@H](CO)NC(=O)C=Cc1ccncc1 240690a_100016989147_100000682801 [0,2,0,0,0,0|2,0,0]=4 4837 B16R1.10317 C=C[Si](C)(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000038793 [0,2,0,0,0,0|1,1,0]=4 4838 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1Br 11a_100000225617_100000719032 [0,2,0,0,0,0|1,0,0]=3 4839 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1Br 1626a_100000225617_100000719032 [0,2,0,0,0,0|1,0,0]=3 4840 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1Br 240690a_100000225617_100000719032 [0,2,0,0,0,0|1,0,0]=3 4841 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1C 1626a_100000225617_100016266485 [0,2,0,0,0,0|1,0,0]=3 4842 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1Cl 11a_100000225617_100000720304 [0,2,0,0,0,0|1,0,0]=3 4843 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1Cl 1626a_100000225617_100000720304 [0,2,0,0,0,0|1,0,0]=3 4844 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1Cl 240690a_100000225617_100000720304 [0,2,0,0,0,0|1,0,0]=3 4845 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1F 11a_100000225617_100016256065 [0,2,0,0,0,0|1,0,0]=3 4846 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1F 1626a_100000225617_100016256065 [0,2,0,0,0,0|1,0,0]=3 4847 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1F 240690a_100000225617_100016256065 [0,2,0,0,0,0|1,0,0]=3 4848 B16R1.6944 C=C(C)CN(C)C(=O)C=Cc1ccccc1 11a_100000225649_100000210462 [0,2,0,0,0,0|1,0,0]=3 4849 B16R1.6944 C=C(C)CN(C)C(=O)C=Cc1ccccc1 1626a_100000225649_100000210462 [0,2,0,0,0,0|1,0,0]=3 4850 B16R1.6944 C=C(C)CN(C)C(=O)C=Cc1ccccn1 11a_100000225649_100000740811 [0,2,0,0,0,0|2,0,0]=4 4851 B16R1.6944 C=C(C)CN(C)C(=O)C=Cc1cccnc1 11a_100000225649_100000735890 [0,2,0,0,0,0|2,0,0]=4 4852 B16R1.6944 CN(CC(=O)N)C(=O)C=Cc1ccccc1 11a_100000739694_100000210462 [0,2,0,0,0,0|2,0,0]=4 4853 B16R1.400 C=C(C)CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000730704 [0,2,0,0,0,0|1,0,0]=3 4854 B16R1.400 C=C(C)CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000730704 [0,2,0,0,0,0|1,0,0]=3 4855 B16R1.400 C=C(C)CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000730704 [0,2,0,0,0,0|1,0,0]=3 4856 B16R1.400 C=C(C)CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000730704 [0,2,0,0,0,0|1,0,0]=3 4857 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Br 11a_100000765925_100000719032 [0,2,0,0,0,0|1,0,0]=3 4858 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Br 1626a_100000765925_100000719032 [0,2,0,0,0,0|1,0,0]=3 4859 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Br 240690a_100000765925_100000719032 [0,2,0,0,0,0|1,0,0]=3 4860 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1C 1626a_100000765925_100016266485 [0,2,0,0,0,0|1,0,0]=3 4861 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Cl 11a_100000765925_100000720304 [0,2,0,0,0,0|1,0,0]=3 4862 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Cl 1626a_100000765925_100000720304 [0,2,0,0,0,0|1,0,0]=3 4863 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Cl 240690a_100000765925_100000720304 [0,2,0,0,0,0|1,0,0]=3 4864 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1F 11a_100000765925_100016256065 [0,2,0,0,0,0|1,0,0]=3 4865 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1F 1626a_100000765925_100016256065 [0,2,0,0,0,0|1,0,0]=3 4866 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1F 240690a_100000765925_100016256065 [0,2,0,0,0,0|1,0,0]=3 4867 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1Br 11a_100000711301_100000719032 [0,2,0,0,0,0|2,0,0]=4 4868 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1Br 240690a_100000711301_100000719032 [0,2,0,0,0,0|2,0,0]=4 4869 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1Cl 11a_100000711301_100000720304 [0,2,0,0,0,0|2,0,0]=4 4870 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1Cl 240690a_100000711301_100000720304 [0,2,0,0,0,0|2,0,0]=4 4871 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1F 11a_100000711301_100016256065 [0,2,0,0,0,0|2,0,0]=4 4872 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1F 240690a_100000711301_100016256065 [0,2,0,0,0,0|2,0,0]=4 4873 B16R1.1454 C#Cc1ccccc1NCC(=O)OCC=C 34a_100011470550_100000033060 [0,2,0,0,0,0|1,0,1]=4 4874 B16R1.1454 C#Cc1ccccc1OCC(=O)OCC=C 34a_200011470546_100000033060 [0,2,0,0,0,0|1,0,1]=4 4875 B16R1.1454 C#Cc1ccccc1OCC(=O)OCC=C 7a_200011470546_100000033060 [0,2,0,0,0,0|1,0,1]=4 4876 B16R1.1454 C=CCCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100000754431 [0,2,0,0,0,0|1,0,0]=3 4877 B16R1.1454 C=CCCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100000754431 [0,2,0,0,0,0|1,0,0]=3 4878 B16R1.1454 C=CCCC(=O)C=Cc1cccnc1OC 1458a_100102601226_100000754431 [0,2,0,0,0,0|2,0,0]=4 4879 B16R1.1454 C=CCNC(=O)C=Cc1ccccc1OC 1626a_100020586998_100000182468 [0,2,0,0,0,0|1,0,0]=3 4880 B16R1.1454 C=CCNC(=O)C=Cc1cccnc1OC 1626a_100020586998_100102601226 [0,2,0,0,0,0|2,0,0]=4 4881 B16R1.1454 C=CCOC(=O)CNc1ccccc1C#N 34a_100000211148_100000033060 [0,2,0,0,0,0|1,0,1]=4 4882 B16R1.1454 C=CCOC(=O)CNc1ccccc1C=C 34a_100012022501_100000033060 [0,2,0,0,0,0|1,0,1]=4 4883 B16R1.1454 C=CCOC(=O)CNc1ccccc1CC 2230a_100000212081_100000033060 [0,2,0,0,0,0|1,0,1]=4 4884 B16R1.1454 C=CCOC(=O)CNc1ccccc1CC 34a_100000212081_100000033060 [0,2,0,0,0,0|1,0,1]=4 4885 B16R1.1454 C=CCOC(=O)CNc1ccccc1CC 7a_100000212081_100000033060 [0,2,0,0,0,0|1,0,1]=4 4886 B16R1.1454 C=CCOC(=O)CNc1ccccc1CO 34a_100000212039_100000033060 [0,2,0,0,0,0|1,0,1]=4 4887 B16R1.1454 C=CCOC(=O)CNc1ccccc1OC 34a_100000210025_100000033060 [0,2,0,0,0,0|1,0,1]=4 4888 B16R1.1454 C=CCOC(=O)CNc1ccccc1SC 34a_100000211160_100000033060 [0,2,0,0,0,0|1,0,1]=4 4889 B16R1.1454 C=CCOC(=O)COc1ccccc1C#N 34a_100000211048_100000033060 [0,2,0,0,0,0|1,0,1]=4 4890 B16R1.1454 C=CCOC(=O)COc1ccccc1C#N 7a_100000211048_100000033060 [0,2,0,0,0,0|1,0,1]=4 4891 B16R1.1454 C=CCOC(=O)COc1ccccc1CC 34a_100000210936_100000033060 [0,2,0,0,0,0|1,0,1]=4 4892 B16R1.1454 C=CCOC(=O)COc1ccccc1CC 7a_100000210936_100000033060 [0,2,0,0,0,0|1,0,1]=4 4893 B16R1.1454 C=CCOC(=O)COc1ccccc1CN 34a_100000185550_100000033060 [0,2,0,0,0,0|1,0,1]=4 4894 B16R1.1454 C=CCOC(=O)COc1ccccc1CO 34a_100011216872_100000033060 [0,2,0,0,0,0|1,0,1]=4 4895 B16R1.1454 C=CCOC(=O)COc1ccccc1NC 34a_100000033821_100000033060 [0,2,0,0,0,0|1,0,1]=4 4896 B16R1.1454 C=CCOC(=O)COc1ccccc1OC 34a_100000210385_100000033060 [0,2,0,0,0,0|1,0,1]=4 4897 B16R1.1454 C=CCOC(=O)COc1ccccc1SC 34a_100011216402_100000033060 [0,2,0,0,0,0|1,0,1]=4 4898 B16R1.1454 C=CCOC(=O)CSc1ccccc1C#N 62a_100000033060_100000188569 [0,2,0,0,0,0|1,0,1]=4 4899 B16R1.1454 C=CCOC(=O)CSc1ccccc1C=C 62a_100000033060_100011218376 [0,2,0,0,0,0|1,0,1]=4 4900 B16R1.1454 C=CCOC(=O)CSc1ccccc1C=C 62a_100011218376_100000033060 [0,2,0,0,0,0|1,0,1]=4 4901 B16R1.1454 C=CCOC(=O)CSc1ccccc1C=O 62a_100000033060_100000210073 [0,2,0,0,0,0|1,0,1]=4 4902 B16R1.1454 C=CCOC(=O)CSc1ccccc1C=O 62a_100000210073_100000033060 [0,2,0,0,0,0|1,0,1]=4 4903 B16R1.1454 C=CCOC(=O)CSc1ccccc1CC 62a_100000033060_100011215823 [0,2,0,0,0,0|1,0,1]=4 4904 B16R1.1454 C=CCOC(=O)CSc1ccccc1CC 62a_100011215823_100000033060 [0,2,0,0,0,0|1,0,1]=4 4905 B16R1.1454 C=CCOC(=O)CSc1ccccc1CN 62a_100000033060_100000689332 [0,2,0,0,0,0|1,0,1]=4 4906 B16R1.1454 C=CCOC(=O)CSc1ccccc1CN 62a_100000689332_100000033060 [0,2,0,0,0,0|1,0,1]=4 4907 B16R1.1454 C=CCOC(=O)CSc1ccccc1CO 62a_100000033060_100000187465 [0,2,0,0,0,0|1,0,1]=4 4908 B16R1.1454 C=CCOC(=O)CSc1ccccc1CO 62a_100000187465_100000033060 [0,2,0,0,0,0|1,0,1]=4 4909 B16R1.1454 C=CCOC(=O)CSc1ccccc1NC 62a_100000033060_100020606079 [0,2,0,0,0,0|1,0,1]=4 4910 B16R1.1454 C=CCOC(=O)CSc1ccccc1NC 62a_100020606079_100000033060 [0,2,0,0,0,0|1,0,1]=4 4911 B16R1.1454 C=CCOC(=O)CSc1ccccc1NN 62a_100000033060_100000241748 [0,2,0,0,0,0|1,0,1]=4 4912 B16R1.1454 C=CCOC(=O)CSc1ccccc1NN 62a_100000241748_100000033060 [0,2,0,0,0,0|1,0,1]=4 4913 B16R1.1454 C=CCOC(=O)CSc1ccccc1OC 62a_100000033060_100000210334 [0,2,0,0,0,0|1,0,1]=4 4914 B16R1.1454 C=CCOC(=O)CSc1ccccc1OC 62a_100000210334_100000033060 [0,2,0,0,0,0|1,0,1]=4 4915 B16R1.1454 C=CCOC(=O)CSc1ccccc1SC 62a_100000033060_100011217816 [0,2,0,0,0,0|1,0,1]=4 4916 B16R1.1454 C=CCOC(=O)CSc1ccccc1SC 62a_100011217816_100000033060 [0,2,0,0,0,0|1,0,1]=4 4917 B16R1.90074 C=CCCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100000754431 [0,2,0,0,0,0|1,0,0]=3 4918 B16R1.90074 C=CCCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100000754431 [0,2,0,0,0,0|1,0,0]=3 4919 B16R1.90074 C=CCCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100000754431 [0,2,0,0,0,0|1,0,0]=3 4920 B16R1.90074 C=CCCC(=O)C=Cc1c(cccc1I)F 6a_100010178011_100000762624 [0,2,0,0,0,0|1,0,0]=3 4921 B16R1.90074 C=CCCC(=O)C=Cc1c(cncc1Br)Cl 6a_100010064873_100000762624 [0,2,0,0,0,0|2,0,0]=4 4922 B16R1.90074 C=CCCC(=O)C=Cc1c(cncc1Br)F 6a_100010064882_100000762624 [0,2,0,0,0,0|2,0,0]=4 4923 B16R1.90074 C=CCCC(=O)C=Cc1c(cncc1Cl)Cl 6a_100000067493_100000762624 [0,2,0,0,0,0|2,0,0]=4 4924 B16R1.90074 C=CCCC(=O)C=Cc1c(cncc1F)F 6a_100000068831_100000762624 [0,2,0,0,0,0|2,0,0]=4 4925 B16R1.90074 C=CCNC(=O)C=Cc1c(cccc1Cl)Cl 1626a_100020586998_100000185082 [0,2,0,0,0,0|1,0,0]=3 4926 B16R1.90074 C=CCNC(=O)C=Cc1c(cccc1Cl)Cl 240690a_100020586998_100000185082 [0,2,0,0,0,0|1,0,0]=3 4927 B16R1.90074 C=CCNC(=O)C=Cc1c(cccc1Cl)F 1626a_100020586998_100016278423 [0,2,0,0,0,0|1,0,0]=3 4928 B16R1.90074 C=CCNC(=O)C=Cc1c(cccc1Cl)F 240690a_100020586998_100016278423 [0,2,0,0,0,0|1,0,0]=3 4929 B16R1.90074 C=CCNC(=O)C=Cc1c(cccc1F)F 1626a_100020586998_100000738813 [0,2,0,0,0,0|1,0,0]=3 4930 B16R1.90074 C=CCNC(=O)C=Cc1c(cccc1F)F 240690a_100020586998_100000738813 [0,2,0,0,0,0|1,0,0]=3 4931 B16R1.90074 C=CCOC(=O)CNc1c(cccc1Br)Br 34a_100000690995_100000033060 [0,2,0,0,0,0|1,0,1]=4 4932 B16R1.90074 C=CCOC(=O)CNc1c(cccc1Br)C 34a_100011834072_100000033060 [0,2,0,0,0,0|1,0,1]=4 4933 B16R1.90074 C=CCOC(=O)CNc1c(cccc1Br)Cl 34a_100102946385_100000033060 [0,2,0,0,0,0|1,0,1]=4 4934 B16R1.90074 C=CCOC(=O)CNc1c(cccc1Br)F 34a_100000684712_100000033060 [0,2,0,0,0,0|1,0,1]=4 4935 B16R1.90074 C=CCOC(=O)CNc1c(cccc1Br)O 34a_100011934926_100000033060 [0,2,0,0,0,0|1,0,1]=4 4936 B16R1.90074 C=CCOC(=O)CNc1c(cccc1C)C 34a_100000185769_100000033060 [0,2,0,0,0,0|1,0,1]=4 4937 B16R1.90074 C=CCOC(=O)CNc1c(cccc1Cl)C 34a_100000756524_100000033060 [0,2,0,0,0,0|1,0,1]=4 4938 B16R1.90074 C=CCOC(=O)CNc1c(cccc1Cl)Cl 34a_100000210028_100000033060 [0,2,0,0,0,0|1,0,1]=4 4939 B16R1.90074 C=CCOC(=O)CNc1c(cccc1Cl)F 34a_100000760031_100000033060 [0,2,0,0,0,0|1,0,1]=4 4940 B16R1.90074 C=CCOC(=O)CNc1c(cccc1Cl)O 34a_100012022510_100000033060 [0,2,0,0,0,0|1,0,1]=4 4941 B16R1.90074 C=CCOC(=O)CNc1c(cccc1F)C 34a_100000766463_100000033060 [0,2,0,0,0,0|1,0,1]=4 4942 B16R1.90074 C=CCOC(=O)CNc1c(cccc1F)F 2230a_100000210704_100000033060 [0,2,0,0,0,0|1,0,1]=4 4943 B16R1.90074 C=CCOC(=O)CNc1c(cccc1F)F 34a_100000210704_100000033060 [0,2,0,0,0,0|1,0,1]=4 4944 B16R1.90074 C=CCOC(=O)CNc1c(cccc1F)O 34a_100020591140_100000033060 [0,2,0,0,0,0|1,0,1]=4 4945 B16R1.90074 C=CCOC(=O)CNc1c(cccc1I)F 34a_100000042321_100000033060 [0,2,0,0,0,0|1,0,1]=4 4946 B16R1.90074 C=CCOC(=O)CNc1c(cccc1O)C 34a_100000743429_100000033060 [0,2,0,0,0,0|1,0,1]=4 4947 B16R1.90074 C=CCOC(=O)COc1c(cccc1Br)Br 34a_100000736428_100000033060 [0,2,0,0,0,0|1,0,1]=4 4948 B16R1.90074 C=CCOC(=O)COc1c(cccc1Br)Br 7a_100000736428_100000033060 [0,2,0,0,0,0|1,0,1]=4 4949 B16R1.90074 C=CCOC(=O)COc1c(cccc1Br)C 34a_100009817157_100000033060 [0,2,0,0,0,0|1,0,1]=4 4950 B16R1.90074 C=CCOC(=O)COc1c(cccc1Br)C 7a_100009817157_100000033060 [0,2,0,0,0,0|1,0,1]=4 4951 B16R1.90074 C=CCOC(=O)COc1c(cccc1Br)Cl 34a_100010214474_100000033060 [0,2,0,0,0,0|1,0,1]=4 4952 B16R1.90074 C=CCOC(=O)COc1c(cccc1Br)Cl 7a_100010214474_100000033060 [0,2,0,0,0,0|1,0,1]=4 4953 B16R1.90074 C=CCOC(=O)COc1c(cccc1Br)F 34a_100009813666_100000033060 [0,2,0,0,0,0|1,0,1]=4 4954 B16R1.90074 C=CCOC(=O)COc1c(cccc1Br)F 7a_100009813666_100000033060 [0,2,0,0,0,0|1,0,1]=4 4955 B16R1.90074 C=CCOC(=O)COc1c(cccc1Br)N 34a_100011934915_100000033060 [0,2,0,0,0,0|1,0,1]=4 4956 B16R1.90074 C=CCOC(=O)COc1c(cccc1C)C 34a_100000210341_100000033060 [0,2,0,0,0,0|1,0,1]=4 4957 B16R1.90074 C=CCOC(=O)COc1c(cccc1C)C 7a_100000210341_100000033060 [0,2,0,0,0,0|1,0,1]=4 4958 B16R1.90074 C=CCOC(=O)COc1c(cccc1Cl)C 34a_100000033731_100000033060 [0,2,0,0,0,0|1,0,1]=4 4959 B16R1.90074 C=CCOC(=O)COc1c(cccc1Cl)C 7a_100000033731_100000033060 [0,2,0,0,0,0|1,0,1]=4 4960 B16R1.90074 C=CCOC(=O)COc1c(cccc1Cl)Cl 34a_100000211709_100000033060 [0,2,0,0,0,0|1,0,1]=4 4961 B16R1.90074 C=CCOC(=O)COc1c(cccc1Cl)Cl 7a_100000211709_100000033060 [0,2,0,0,0,0|1,0,1]=4 4962 B16R1.90074 C=CCOC(=O)COc1c(cccc1Cl)F 34a_100000694953_100000033060 [0,2,0,0,0,0|1,0,1]=4 4963 B16R1.90074 C=CCOC(=O)COc1c(cccc1Cl)F 7a_100000694953_100000033060 [0,2,0,0,0,0|1,0,1]=4 4964 B16R1.90074 C=CCOC(=O)COc1c(cccc1Cl)N 34a_100000754742_100000033060 [0,2,0,0,0,0|1,0,1]=4 4965 B16R1.90074 C=CCOC(=O)COc1c(cccc1F)C 34a_100011659162_100000033060 [0,2,0,0,0,0|1,0,1]=4 4966 B16R1.90074 C=CCOC(=O)COc1c(cccc1F)C 7a_100011659162_100000033060 [0,2,0,0,0,0|1,0,1]=4 4967 B16R1.90074 C=CCOC(=O)COc1c(cccc1F)F 34a_100000230165_100000033060 [0,2,0,0,0,0|1,0,1]=4 4968 B16R1.90074 C=CCOC(=O)COc1c(cccc1F)F 7a_100000230165_100000033060 [0,2,0,0,0,0|1,0,1]=4 4969 B16R1.90074 C=CCOC(=O)COc1c(cccc1F)N 34a_100011934987_100000033060 [0,2,0,0,0,0|1,0,1]=4 4970 B16R1.90074 C=CCOC(=O)COc1c(cccc1I)Br 34a_100010084509_100000033060 [0,2,0,0,0,0|1,0,1]=4 4971 B16R1.90074 C=CCOC(=O)COc1c(cccc1I)Br 7a_100010084509_100000033060 [0,2,0,0,0,0|1,0,1]=4 4972 B16R1.90074 C=CCOC(=O)COc1c(cccc1I)Cl 34a_100010202889_100000033060 [0,2,0,0,0,0|1,0,1]=4 4973 B16R1.90074 C=CCOC(=O)COc1c(cccc1I)Cl 7a_100010202889_100000033060 [0,2,0,0,0,0|1,0,1]=4 4974 B16R1.90074 C=CCOC(=O)COc1c(cccc1I)F 34a_100010186298_100000033060 [0,2,0,0,0,0|1,0,1]=4 4975 B16R1.90074 C=CCOC(=O)COc1c(cccc1I)F 7a_100010186298_100000033060 [0,2,0,0,0,0|1,0,1]=4 4976 B16R1.90074 C=CCOC(=O)COc1c(cccc1I)N 34a_100010084371_100000033060 [0,2,0,0,0,0|1,0,1]=4 4977 B16R1.90074 C=CCOC(=O)COc1c(cccc1N)C 34a_100000756359_100000033060 [0,2,0,0,0,0|1,0,1]=4 4978 B16R1.90074 C=CCOC(=O)COc1c(cccc1N)C 7a_100000756359_100000033060 [0,2,0,0,0,0|1,0,1]=4 4979 B16R1.90074 C=CCOC(=O)COc1c(cccc1N)N 34a_200016994477_100000033060 [0,2,0,0,0,0|1,0,1]=4 4980 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Br)Br 62a_100000033060_100009994525 [0,2,0,0,0,0|1,0,1]=4 4981 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Br)Br 62a_100009994525_100000033060 [0,2,0,0,0,0|1,0,1]=4 4982 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Br)C 62a_100000033060_100010141302 [0,2,0,0,0,0|1,0,1]=4 4983 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Br)C 62a_100010141302_100000033060 [0,2,0,0,0,0|1,0,1]=4 4984 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Br)Cl 62a_100000033060_100010214488 [0,2,0,0,0,0|1,0,1]=4 4985 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Br)Cl 62a_100010214488_100000033060 [0,2,0,0,0,0|1,0,1]=4 4986 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Br)F 62a_100000033060_100011219512 [0,2,0,0,0,0|1,0,1]=4 4987 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Br)F 62a_100011219512_100000033060 [0,2,0,0,0,0|1,0,1]=4 4988 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Br)N 62a_100000033060_100020590159 [0,2,0,0,0,0|1,0,1]=4 4989 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Br)N 62a_100020590159_100000033060 [0,2,0,0,0,0|1,0,1]=4 4990 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Br)O 62a_100000033060_100010187912 [0,2,0,0,0,0|1,0,1]=4 4991 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Br)O 62a_100010187912_100000033060 [0,2,0,0,0,0|1,0,1]=4 4992 B16R1.90074 C=CCOC(=O)CSc1c(cccc1C)C 62a_100000033060_100000033847 [0,2,0,0,0,0|1,0,1]=4 4993 B16R1.90074 C=CCOC(=O)CSc1c(cccc1C)C 62a_100000033847_100000033060 [0,2,0,0,0,0|1,0,1]=4 4994 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Cl)C 62a_100000033060_100000043165 [0,2,0,0,0,0|1,0,1]=4 4995 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Cl)C 62a_100000043165_100000033060 [0,2,0,0,0,0|1,0,1]=4 4996 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Cl)Cl 62a_100000033060_100000034237 [0,2,0,0,0,0|1,0,1]=4 4997 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Cl)Cl 62a_100000034237_100000033060 [0,2,0,0,0,0|1,0,1]=4 4998 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Cl)F 62a_100000033060_100000050007 [0,2,0,0,0,0|1,0,1]=4 4999 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Cl)F 62a_100000050007_100000033060 [0,2,0,0,0,0|1,0,1]=4 5000 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Cl)N 62a_100000033060_100000049713 [0,2,0,0,0,0|1,0,1]=4 5001 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Cl)N 62a_100000049713_100000033060 [0,2,0,0,0,0|1,0,1]=4 5002 B16R1.90074 C=CCOC(=O)CSc1c(cccc1Cl)O 62a_100000033060_100000050174 [0,2,0,0,0,0|1,0,1]=4 5003 B16R1.90074 C=CCOC(=O)CSc1c(cccc1F)C 62a_100000033060_100011218421 [0,2,0,0,0,0|1,0,1]=4 5004 B16R1.90074 C=CCOC(=O)CSc1c(cccc1F)C 62a_100011218421_100000033060 [0,2,0,0,0,0|1,0,1]=4 5005 B16R1.90074 C=CCOC(=O)CSc1c(cccc1F)F 62a_100000033060_100000693133 [0,2,0,0,0,0|1,0,1]=4 5006 B16R1.90074 C=CCOC(=O)CSc1c(cccc1F)F 62a_100000693133_100000033060 [0,2,0,0,0,0|1,0,1]=4 5007 B16R1.90074 C=CCOC(=O)CSc1c(cccc1F)N 62a_100000033060_100000690935 [0,2,0,0,0,0|1,0,1]=4 5008 B16R1.90074 C=CCOC(=O)CSc1c(cccc1F)N 62a_100000690935_100000033060 [0,2,0,0,0,0|1,0,1]=4 5009 B16R1.90074 C=CCOC(=O)CSc1c(cccc1F)O 62a_100000033060_100009820682 [0,2,0,0,0,0|1,0,1]=4 5010 B16R1.90074 C=CCOC(=O)CSc1c(cccc1F)O 62a_100009820682_100000033060 [0,2,0,0,0,0|1,0,1]=4 5011 B16R1.90074 C=CCOC(=O)CSc1c(cccc1N)C 62a_100000033060_100000684715 [0,2,0,0,0,0|1,0,1]=4 5012 B16R1.90074 C=CCOC(=O)CSc1c(cccc1N)C 62a_100000684715_100000033060 [0,2,0,0,0,0|1,0,1]=4 5013 B16R1.90074 C=CCOC(=O)CSc1c(cccc1O)C 62a_100000033060_100000686692 [0,2,0,0,0,0|1,0,1]=4 5014 B16R1.90074 C=CCOC(=O)CSc1c(cccc1O)C 62a_100000686692_100000033060 [0,2,0,0,0,0|1,0,1]=4 5015 B16R1.90074 C=CCOC(=O)CSc1c(cccc1O)N 62a_100000033060_100012183704 [0,2,0,0,0,0|1,0,1]=4 5016 B16R1.90074 C=CCOC(=O)CSc1c(cccc1O)N 62a_100012183704_100000033060 [0,2,0,0,0,0|1,0,1]=4 5017 B16R1.90074 C=CCOC(=O)CSc1c(cccc1O)O 62a_100000033060_100010205330 [0,2,0,0,0,0|1,0,1]=4 5018 B16R1.1771 C=C(C)CNS(=O)(=O)C=Cc1ccccc1 40a_100000765925_100011098038 [0,2,0,0,0,0|2,0,0]=4 5019 B14R1.939 C=CCCC(=O)c1ccccc1C=C 1458a_100011830265_100000754431 [0,0,1,1,0,0|1,0,0]=3 5020 B14R1.939 C=CCNC(=O)c1ccccc1C=C 1626a_100020586998_100011830265 [0,0,1,1,0,0|1,0,0]=3 5021 B14R1.934 C=CCCC(=O)c1cccc(c1)C=C 1458a_100011215009_100000754431 [0,0,1,1,0,0|1,0,0]=3 5022 B14R1.934 C=CCNC(=O)c1cccc(c1)C=C 1626a_100020586998_100011215009 [0,0,1,1,0,0|1,0,0]=3 5023 B14R1.934 C=CCNC(=O)c1cccc(c1)C=C 240690a_100020586998_100011215009 [0,0,1,1,0,0|1,0,0]=3 5024 B14R1.934 C=CCNC(=O)c1cccc(c1)C=C 527a_100020586998_100011215009 [0,0,1,1,0,0|1,0,0]=3 5025 B14R2.3 C=CCOc1csc2c1cccc2 34a_100000077758_100015514636 [1,0,0,1,0,0|1,0,0]=3 5026 B14R2.3 C=CCOc1csc2c1cccc2 7a_100000077758_100015514636 [1,0,0,1,0,0|1,0,0]=3 5027 B14R2.3 C=CCSc1coc2c1cccc2 62a_100000210623_100009812202 [1,0,0,1,0,0|1,1,0]=4 5028 B14R2.3 C=CCSc1csc2c1cccc2 62a_100000210623_100009813928 [1,0,0,1,0,0|1,1,0]=4 5029 B14R2.3 O=CCOc1csc2c1cccc2 34a_100000077758_200009817547 [1,0,0,1,0,0|2,0,0]=4 5030 B14R2.3 O=CCOc1csc2c1cccc2 7a_100000077758_200015260668 [1,0,0,1,0,0|2,0,0]=4 5031 B14R2.14 O=Cc1occc1c2ccccc2 271570a_100011218836_100000756499 [1,0,0,1,0,0|1,0,1]=4 5032 B14R2.101 C(=Cc1cc[nH]n1)c2ccccc2 271570a_100102527694_100000062575 [1,0,0,1,0,0|2,0,0]=4 5033 B14R2.101 C(=Cc1ccco1)c2ccccc2 271570a_100102527694_100009814098 [1,0,0,1,0,0|0,0,1]=3 5034 B14R2.101 C(=Cc1ccco1)c2cccnc2 271570a_100102525586_100009814098 [1,0,0,1,0,0|1,0,1]=4 5035 B14R2.101 C(=Cc1cccs1)c2ccccc2 271570a_100102527694_100011215356 [1,0,0,1,0,0|0,1,1]=4 5036 B14R2.101 C(=Cc1ccoc1)c2ccccc2 271570a_100102527694_100011215275 [1,0,0,1,0,0|2,0,0]=4 5037 B14R2.101 C(=Cc1ccsc1)c2ccccc2 271570a_100102527694_100000738268 [1,0,0,1,0,0|2,0,0]=4 5038 B14R2.101 C(=Cc1ccsn1)c2ccccc2 271570a_100102527694_100009818082 [1,0,0,1,0,0|2,0,0]=4 5039 B14R2.101 C(=Cc1cnco1)c2ccccc2 271570a_100102527694_100020591547 [1,0,0,1,0,0|1,0,1]=4 5040 B14R2.101 C(=Cc1ncco1)c2ccccc2 271570a_100102527694_100011787736 [1,0,0,1,0,0|1,0,1]=4 5041 B14R2.21 Brc1cc(ccn1)c2ccccc2 271570a_100011218836_100009814637 [1,0,0,1,0,0|2,0,0]=4 5042 B14R2.21 Brc1cccc(c1)c2ccccc2 271570a_100011218836_100000691529 [1,0,0,1,0,0|1,0,1]=4 5043 B14R2.21 Cc1cc(ccn1)c2ccccc2 271570a_100011218836_100000758586 [1,0,0,1,0,0|2,0,0]=4 5044 B14R2.21 Cc1cc(ccn1)c2ccccc2 271570a_100011830414_100000210277 [1,0,0,1,0,0|2,0,0]=4 5045 B14R2.21 Cc1cccc(c1)c2ccccc2 271570a_100000749446_100000210277 [1,0,0,1,0,0|1,0,1]=4 5046 B14R2.21 Cc1cccc(c1)c2ccccc2 271570a_100011218836_100011215228 [1,0,0,1,0,0|1,0,1]=4 5047 B14R2.21 Clc1cc(ccn1)c2ccccc2 271570a_100000049459_100000210277 [1,0,0,1,0,0|2,0,0]=4 5048 B14R2.21 Clc1cc(ccn1)c2ccccc2 271570a_100011218836_100000035001 [1,0,0,1,0,0|2,0,0]=4 5049 B14R2.21 Clc1cccc(c1)c2ccccc2 271570a_100011214927_100000210277 [1,0,0,1,0,0|1,0,1]=4 5050 B14R2.21 Clc1cccc(c1)c2ccccc2 271570a_100011218836_100000699651 [1,0,0,1,0,0|1,0,1]=4 5051 B14R2.21 Fc1cc(ccn1)c2ccccc2 271570a_100000062321_100000210277 [1,0,0,1,0,0|2,0,0]=4 5052 B14R2.21 Fc1cc(ccn1)c2ccccc2 271570a_100011218836_100009816116 [1,0,0,1,0,0|2,0,0]=4 5053 B14R2.21 Fc1cccc(c1)c2ccccc2 271570a_100011218836_100000685547 [1,0,0,1,0,0|1,0,1]=4 5054 B14R2.21 Fc1cccc(c1)c2ccccc2 271570a_100012349223_100000210277 [1,0,0,1,0,0|1,0,1]=4 5055 B14R2.21 Ic1cccc(c1)c2ccccc2 271570a_100000043368_100000210277 [1,0,0,1,0,0|1,0,1]=4 5056 B14R2.21 Nc1cc(ccn1)c2ccccc2 271570a_100011218836_100000744379 [1,0,0,1,0,0|2,0,0]=4 5057 B14R2.21 Nc1cc(ccn1)c2ccccc2 271570a_102125402725_100000210277 [1,0,0,1,0,0|2,0,0]=4 5058 B14R2.21 Nc1cccc(c1)c2ccccc2 271570a_100000699968_100000210277 [1,0,0,1,0,0|1,0,1]=4 5059 B14R2.21 Nc1cccc(c1)c2ccccc2 271570a_100011218836_100000210019 [1,0,0,1,0,0|1,0,1]=4 5060 B14R2.21 O=C1C=C(CCC1)c2ccccc2 271570a_100000723966_100000210277 [1,0,0,1,0,0|0,0,2]=4 5061 B14R2.21 O=c1cc(cc[nH]1)c2ccccc2 271570a_100011218836_100009816521 [1,0,0,1,0,0|1,0,0]=3 5062 B14R2.21 O=c1cc(cc[nH]1)c2ccccn2 271570a_100011264011_100009816521 [1,0,0,1,0,0|2,0,0]=4 5063 B14R2.21 O=c1cc(cc[nH]1)c2cccnc2 271570a_100000757648_100009816521 [1,0,0,1,0,0|2,0,0]=4 5064 B14R2.21 O=c1cc(cc[nH]1)c2ccncc2 271570a_100000752145_100009816521 [1,0,0,1,0,0|2,0,0]=4 5065 B14R2.21 O=c1cc(cn[nH]1)c2ccccc2 271570a_100011218836_100010197405 [1,0,0,1,0,0|2,0,0]=4 5066 B14R2.21 O=c1cccc([nH]1)c2ccccc2 271570a_100011218836_100000761760 [1,0,0,1,0,0|1,0,1]=4 5067 B14R2.21 O=c1nc(cc[nH]1)c2ccccc2 271570a_100011218836_200000134032 [1,0,0,1,0,0|2,0,0]=4 5068 B14R2.21 Oc1cc(ccn1)c2ccccc2 271570a_100010237957_100000210277 [1,0,0,1,0,0|1,0,1]=4 5069 B14R2.21 Oc1cc(ccn1)c2ccccc2 271570a_203496583355_100000733892 [1,0,0,1,0,0|1,0,1]=4 5070 B14R2.21 Oc1cccc(c1)c2ccccc2 271570a_100000693801_100000210277 [1,0,0,1,0,0|0,0,2]=4 5071 B14R2.21 Oc1cccc(c1)c2ccccc2 271570a_100011218836_100000211634 [1,0,0,1,0,0|0,0,2]=4 5072 B14R2.21 Oc1cccc(c1)c2ccccc2 271570a_203496583355_100009813342 [1,0,0,1,0,0|0,0,2]=4 5073 B14R2.21 [S]c1cccc(c1)c2ccccc2 271570a_100011218836_114929384022 [1,0,0,1,0,0|0,1,1]=4 5074 B14R2.112 CCOc1ccc2ccccc2c1 34a_100000185828_100000210202 [1,0,0,1,0,0|1,0,1]=4 5075 B14R2.112 CCOc1ccc2ccccc2c1 7a_100000185828_100000210202 [1,0,0,1,0,0|1,0,1]=4 5076 B14R2.112 FCOc1ccc2ccccc2c1 34a_100000185828_100015361967 [1,0,0,1,0,0|2,0,0]=4 5077 B14R2.112 FCOc1ccc2ccccc2c1 7a_100000185828_100015361967 [1,0,0,1,0,0|2,0,0]=4 5078 B14R2.203 C=Cc1c(ccc2c1cccc2)Br 271570a_100011290941_100010090040 [1,0,0,1,0,0|1,0,1]=4 5079 B14R2.203 C=Cc1c(ccc2c1cccc2)C 271570a_100011290941_100000759710 [1,0,0,1,0,0|1,0,1]=4 5080 B14R2.203 C=Cc1c(ccc2c1cccc2)N 271570a_100011290941_100000705303 [1,0,0,1,0,0|1,0,1]=4 5081 B14R2.203 C=Cc1c(ccc2c1cccc2)O 271570a_100011290941_100000183829 [1,0,0,1,0,0|0,0,2]=4 5082 B14R2.33858 C=CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210623 [1,0,0,1,0,0|0,0,2]=4 5083 B14R2.67 C=CCSc1cc2ccccc2[nH]1 62a_100000210623_100010232065 [0,0,0,1,1,0|1,1,0]=4 5084 B14R2.67 C=CCSc1cc2ccccc2o1 62a_100000210623_100010159458 [0,0,0,1,1,0|0,1,1]=4 5085 B14R2.67 C=CCSc1cc2ccccc2s1 62a_100000210623_100009816949 [0,0,0,1,1,0|0,2,0]=4 5086 B14R2.991 C=CCOc1ccc2[nH]ccc2c1 34a_100000756620_100015514636 [0,0,0,1,1,0|2,0,0]=4 5087 B14R2.991 C=CCOc1ccc2cc[nH]c2c1 34a_100000036713_100015514636 [0,0,0,1,1,0|2,0,0]=4 5088 B14R2.991 C=CCOc1ccc2ccoc2c1 34a_100000089557_100015514636 [0,0,0,1,1,0|2,0,0]=4 5089 B14R2.991 C=CCOc1ccc2ccoc2c1 7a_100000089557_100015514636 [0,0,0,1,1,0|2,0,0]=4 5090 B14R2.991 C=CCOc1ccc2occc2c1 34a_100000070125_100015514636 [0,0,0,1,1,0|2,0,0]=4 5091 B14R2.991 C=CCOc1ccc2occc2c1 7a_100000070125_100015514636 [0,0,0,1,1,0|2,0,0]=4 5092 B14R2.991 C=CCOc1ccc2sccc2c1 34a_100012180905_100015514636 [0,0,0,1,1,0|2,0,0]=4 5093 B14R2.991 C=CCOc1ccc2sccc2c1 7a_100012180905_100015514636 [0,0,0,1,1,0|2,0,0]=4 5094 B16R2.37 C=CCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000754431 [0,0,0,1,0,1|1,0,0]=3 5095 B16R2.37 C=CCCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000754431 [0,0,0,1,0,1|1,0,0]=3 5096 B16R2.37 C=CCNC(=O)C1=CCc2c1cccc2 1626a_100020586998_100000037392 [0,0,0,1,0,1|1,0,0]=3 5097 B16R2.37 C=CCNC(=O)C1=CCc2c1cccc2 240690a_100020586998_100000037392 [0,0,0,1,0,1|1,0,0]=3 5098 B16R2.37 C=CCNC(=O)C1C=Cc2c1cccc2 1626a_100020586998_200009832160 [0,0,0,1,0,1|1,0,0]=3 5099 B16R2.37 C=CCNC(=O)C1C=Cc2c1cccc2 240690a_100020586998_200009832160 [0,0,0,1,0,1|1,0,0]=3 5100 B16R2.37 C=CCNC(=O)C1C=Cc2c1cccc2 527a_100020586998_200009832160 [0,0,0,1,0,1|1,0,0]=3 5101 B16R2.71 O=c1[nH]cccc1C=Cc2ccccc2 271570a_100102527694_100000050042 [0,0,0,1,0,1|1,0,1]=4 5102 B16R2.71 O=c1[nH]nccc1C=Cc2ccccc2 271570a_100102527694_100000087129 [0,0,0,1,0,1|2,0,0]=4 5103 B16R2.71 O=c1occcc1OCc2ccccc2 34a_100000077404_100015291786 [0,0,0,1,0,1|0,0,2]=4 5104 B16R2.71 O=c1occcc1OCc2ccccc2 7a_100000077404_100000211182 [0,0,0,1,0,1|0,0,2]=4 5105 B16R2.150 C=CCNc1nc(cs1)c2ccccc2 27a_100020586998_100011830410 [0,0,0,1,0,1|2,0,0]=4 5106 B16R2.150 C=CCNc1ncc(o1)c2ccccc2 27a_100020586998_100000729704 [0,0,0,1,0,1|1,0,1]=4 5107 B16R2.150 C=CCNc1ncc(s1)c2ccccc2 27a_100020586998_100000685549 [0,0,0,1,0,1|1,1,0]=4 5108 B16R2.150 C=CCSc1c[nH]c(n1)c2ccccc2 62a_100000210623_200010210587 [0,0,0,1,0,1|1,1,0]=4 5109 B16R2.150 C=CCSc1c[nH]c(n1)c2ccccc2 62a_200010210587_100000210623 [0,0,0,1,0,1|1,1,0]=4 5110 B16R2.150 C=CCSc1ccc(s1)c2ccccc2 62a_100000210623_100009814279 [0,0,0,1,0,1|0,2,0]=4 5111 B16R2.150 C=CCSc1ccc(s1)c2ccccc2 62a_100009814279_100000210623 [0,0,0,1,0,1|0,2,0]=4 5112 B16R2.150 C=CCSc1cnc(o1)c2ccccc2 62a_100000210623_100009814072 [0,0,0,1,0,1|0,1,1]=4 5113 B16R2.150 C=CCSc1cnc(s1)c2ccccc2 62a_100000210623_100000726391 [0,0,0,1,0,1|0,2,0]=4 5114 B16R2.150 C=CCSc1cnc(s1)c2ccccc2 62a_100000726391_100000210623 [0,0,0,1,0,1|0,2,0]=4 5115 B16R2.150 C=CCSc1coc(n1)c2ccccc2 62a_100000210623_100010163736 [0,0,0,1,0,1|1,1,0]=4 5116 B16R2.150 C=CCSc1coc(n1)c2ccccc2 62a_100010163736_100000210623 [0,0,0,1,0,1|1,1,0]=4 5117 B16R2.150 C=CCSc1nc(cs1)c2ccccc2 62a_100000210623_100011830410 [0,0,0,1,0,1|1,1,0]=4 5118 B16R2.150 C=CCSc1nc(cs1)c2ccccc2 62a_100011830410_100000210623 [0,0,0,1,0,1|1,1,0]=4 5119 B16R2.150 C=CCSc1ncc(o1)c2ccccc2 62a_100000210623_100000729704 [0,0,0,1,0,1|0,1,1]=4 5120 B16R2.150 C=CCSc1ncc(s1)c2ccccc2 62a_100000210623_100000685549 [0,0,0,1,0,1|0,2,0]=4 5121 B16R2.150 C=CCSc1ncc(s1)c2ccccc2 62a_100000685549_100000210623 [0,0,0,1,0,1|0,2,0]=4 5122 B16R2.296 O=C(C=Cc1ccccc1)C2CCC2=O 1458a_100000210462_100009892977 [0,1,0,1,0,0|1,0,1]=4 5123 B16R2.2238 O=C(C=Cc1ccccc1)N2CC=CC2 1626a_100015195280_100000210462 [0,1,0,1,0,0|1,0,0]=3 5124 B16R2.2238 O=C(C=Cc1ccccn1)N2CC=CC2 240690a_100015195280_100000740811 [0,1,0,1,0,0|2,0,0]=4 5125 B16R2.2238 O=C(C=Cc1cccnc1)N2CC=CC2 240690a_100015195280_100000735890 [0,1,0,1,0,0|2,0,0]=4 5126 B16R2.2238 O=C(C=Cc1ccncc1)N2CC=CC2 240690a_100015195280_100000682801 [0,1,0,1,0,0|2,0,0]=4 5127 B16R2.2441 C/C=C/CNc1ccc2ccccc2c1 34a_100000211940_100102629194 [0,1,0,1,0,0|2,0,0]=4 5128 B16R2.2441 C/C=C/CNc1ccc2ccccc2c1 7a_100000211940_100102629194 [0,1,0,1,0,0|2,0,0]=4 5129 B16R2.2441 C/C=C/COc1ccc2ccccc2c1 34a_100000185828_100102629194 [0,1,0,1,0,0|1,0,0]=3 5130 B16R2.2441 C/C=C/COc1ccc2ccccc2c1 7a_100000185828_100102629194 [0,1,0,1,0,0|1,0,0]=3 5131 B16R2.2441 C/C=C/COc1ccc2cccnc2c1 34a_100011216045_100102629194 [0,1,0,1,0,0|2,0,0]=4 5132 B16R2.2441 C/C=C/COc1ccc2ccncc2c1 7a_100000752006_100102629194 [0,1,0,1,0,0|2,0,0]=4 5133 B16R2.2441 C/C=C/COc1ccc2cnccc2c1 34a_100000046372_100102629194 [0,1,0,1,0,0|2,0,0]=4 5134 B16R2.2441 C/C=C/COc1ccc2cnccc2c1 7a_100000046372_100102629194 [0,1,0,1,0,0|2,0,0]=4 5135 B16R2.2441 C/C=C/COc1ccc2ncccc2c1 34a_100011215586_100102629194 [0,1,0,1,0,0|2,0,0]=4 5136 B16R2.2441 C/C=C/COc1ccc2ncccc2c1 7a_100011215586_100102629194 [0,1,0,1,0,0|2,0,0]=4 5137 B16R2.2441 C/C=C/COc1cnc2ccccc2c1 34a_100011934006_100102629194 [0,1,0,1,0,0|2,0,0]=4 5138 B16R2.2441 C/C=C/COc1cnc2ccccc2c1 7a_100011934006_100102629194 [0,1,0,1,0,0|2,0,0]=4 5139 B16R2.2441 C/C=C/CSc1ccc2ccccc2c1 62a_100102629194_100000233703 [0,1,0,1,0,0|1,1,0]=4 5140 B16R2.2441 C/C=C/CSc1ccc2ccccc2n1 62a_100011291633_100102629194 [0,1,0,1,0,0|1,1,0]=4 5141 B16R2.2441 C/C=C/CSc1ccc2ccccc2n1 62a_100102629194_100011291633 [0,1,0,1,0,0|1,1,0]=4 5142 B16R2.2441 C=CCCNc1ccc2ccccc2c1 34a_100000211940_100000754431 [0,1,0,1,0,0|2,0,0]=4 5143 B16R2.2441 C=CCCNc1ccc2ccccc2c1 7a_100000211940_100000754431 [0,1,0,1,0,0|2,0,0]=4 5144 B16R2.2441 C=CCCNc1ccc2ccccc2n1 27a_100015191253_100011291633 [0,1,0,1,0,0|2,0,0]=4 5145 B16R2.2441 C=CCCOc1ccc2ccccc2c1 34a_100000185828_100000754431 [0,1,0,1,0,0|1,0,0]=3 5146 B16R2.2441 C=CCCOc1ccc2ccccc2c1 7a_100000185828_100000754431 [0,1,0,1,0,0|1,0,0]=3 5147 B16R2.2441 C=CCCOc1ccc2cccnc2c1 34a_100011216045_100000754431 [0,1,0,1,0,0|2,0,0]=4 5148 B16R2.2441 C=CCCOc1ccc2ccncc2c1 7a_100000752006_100000754431 [0,1,0,1,0,0|2,0,0]=4 5149 B16R2.2441 C=CCCOc1ccc2cnccc2c1 34a_100000046372_100000754431 [0,1,0,1,0,0|2,0,0]=4 5150 B16R2.2441 C=CCCOc1ccc2cnccc2c1 7a_100000046372_100000754431 [0,1,0,1,0,0|2,0,0]=4 5151 B16R2.2441 C=CCCOc1ccc2ncccc2c1 34a_100011215586_100000754431 [0,1,0,1,0,0|2,0,0]=4 5152 B16R2.2441 C=CCCOc1ccc2ncccc2c1 7a_100011215586_100000754431 [0,1,0,1,0,0|2,0,0]=4 5153 B16R2.2441 C=CCCOc1cnc2ccccc2c1 34a_100011934006_100000754431 [0,1,0,1,0,0|2,0,0]=4 5154 B16R2.2441 C=CCCOc1cnc2ccccc2c1 7a_100011934006_100000754431 [0,1,0,1,0,0|2,0,0]=4 5155 B16R2.2441 C=CCCSc1ccc2ccccc2c1 62a_100000754431_100000233703 [0,1,0,1,0,0|1,1,0]=4 5156 B16R2.2441 C=CCCSc1ccc2ccccc2n1 62a_100000754431_100011291633 [0,1,0,1,0,0|1,1,0]=4 5157 B16R2.2441 C=CCCSc1ccc2ccccc2n1 62a_100011291633_100000754431 [0,1,0,1,0,0|1,1,0]=4 5158 B16R2.2441 C=CCNCc1ccc2ccccc2c1 2230a_100000739491_100000210623 [0,1,0,1,0,0|2,0,0]=4 5159 B16R2.2441 C=CCNCc1ccc2ccccc2c1 2230a_100020586998_100011216711 [0,1,0,1,0,0|2,0,0]=4 5160 B16R2.2441 C=CCNCc1ccc2ccccc2c1 270004a_100020586998_100000211584 [0,1,0,1,0,0|2,0,0]=4 5161 B16R2.2441 C=CCNCc1ccc2ccccc2c1 34a_100000739491_100015514636 [0,1,0,1,0,0|2,0,0]=4 5162 B16R2.2441 C=CCNCc1ccc2ccccc2n1 2230a_100020586998_100000737579 [0,1,0,1,0,0|2,0,0]=4 5163 B16R2.2441 C=CCNCc1ccc2ccccc2n1 270004a_100020586998_100000759686 [0,1,0,1,0,0|2,0,0]=4 5164 B16R2.2441 C=CCOCc1cc2ccccc2cn1 34a_200000210373_100009869231 [0,1,0,1,0,0|2,0,0]=4 5165 B16R2.2441 C=CCOCc1ccc2ccccc2c1 34a_100011215330_100015514636 [0,1,0,1,0,0|1,0,0]=3 5166 B16R2.2441 C=CCOCc1ccc2ccccc2c1 34a_200000210373_100011216711 [0,1,0,1,0,0|1,0,0]=3 5167 B16R2.2441 C=CCOCc1ccc2ccccc2c1 7a_100011215330_100015514636 [0,1,0,1,0,0|1,0,0]=3 5168 B16R2.2441 C=CCOCc1ccc2ccccc2n1 34a_200000210373_100000737579 [0,1,0,1,0,0|1,0,0]=3 5169 B16R2.2441 C=CCOCc1ccc2cnccc2c1 34a_200000210373_100020605334 [0,1,0,1,0,0|2,0,0]=4 5170 B16R2.2441 C=CCOCc1ccc2ncccc2c1 34a_100011315636_100015514636 [0,1,0,1,0,0|2,0,0]=4 5171 B16R2.2441 C=CCOCc1ccc2ncccc2c1 34a_200000210373_100000703657 [0,1,0,1,0,0|2,0,0]=4 5172 B16R2.2441 C=CCOCc1cnc2ccccc2c1 34a_100011258773_100015514636 [0,1,0,1,0,0|2,0,0]=4 5173 B16R2.2441 C=CCOCc1ncc2ccccc2n1 34a_200000210373_100009868571 [0,1,0,1,0,0|2,0,0]=4 5174 B16R2.2441 C=CCSCc1ccc2ccccc2c1 62a_100000210623_100011216711 [0,1,0,1,0,0|1,1,0]=4 5175 B16R2.2441 C=CCSCc1ccc2ccccc2c1 62a_100011216711_100000210623 [0,1,0,1,0,0|1,1,0]=4 5176 B16R2.2441 C=CCSCc1ccc2ccccc2n1 62a_100000210623_100000737579 [0,1,0,1,0,0|1,1,0]=4 5177 B16R2.2441 C=CCSCc1ccc2ccccc2n1 62a_100000737579_100000210623 [0,1,0,1,0,0|1,1,0]=4 5178 B16R2.2441 CC=CCNc1ccc2ccccc2c1 34a_100000211940_100000070051 [0,1,0,1,0,0|2,0,0]=4 5179 B16R2.2441 CC=CCNc1ccc2ccccc2c1 7a_100000211940_100000070051 [0,1,0,1,0,0|2,0,0]=4 5180 B16R2.2441 CC=CCOc1ccc2ccccc2c1 34a_100000185828_100000070051 [0,1,0,1,0,0|1,0,0]=3 5181 B16R2.2441 CC=CCOc1ccc2ccccc2c1 7a_100000185828_100000070051 [0,1,0,1,0,0|1,0,0]=3 5182 B16R2.2441 CC=CCOc1ccc2cccnc2c1 34a_100011216045_100000070051 [0,1,0,1,0,0|2,0,0]=4 5183 B16R2.2441 CC=CCOc1ccc2ccncc2c1 7a_100000752006_100000070051 [0,1,0,1,0,0|2,0,0]=4 5184 B16R2.2441 CC=CCOc1ccc2cnccc2c1 34a_100000046372_100000070051 [0,1,0,1,0,0|2,0,0]=4 5185 B16R2.2441 CC=CCOc1ccc2cnccc2c1 7a_100000046372_100000070051 [0,1,0,1,0,0|2,0,0]=4 5186 B16R2.2441 CC=CCOc1ccc2ncccc2c1 34a_100011215586_100000070051 [0,1,0,1,0,0|2,0,0]=4 5187 B16R2.2441 CC=CCOc1ccc2ncccc2c1 7a_100011215586_100000070051 [0,1,0,1,0,0|2,0,0]=4 5188 B16R2.2441 CC=CCOc1cnc2ccccc2c1 34a_100011934006_100000070051 [0,1,0,1,0,0|2,0,0]=4 5189 B16R2.2441 CC=CCOc1cnc2ccccc2c1 7a_100011934006_100000070051 [0,1,0,1,0,0|2,0,0]=4 5190 B16R2.2441 CC=CCSc1ccc2ccccc2c1 62a_100000070051_100000233703 [0,1,0,1,0,0|1,1,0]=4 5191 B16R2.2441 CC=CCSc1ccc2ccccc2n1 62a_100000070051_100011291633 [0,1,0,1,0,0|1,1,0]=4 5192 B16R2.2441 CC=CCSc1ccc2ccccc2n1 62a_100011291633_100000070051 [0,1,0,1,0,0|1,1,0]=4 5193 B16R2.2441 O=CCOCc1ccc2ccccc2c1 34a_100011215330_200009817547 [0,1,0,1,0,0|2,0,0]=4 5194 B16R2.2441 O=CCOCc1ccc2ccccc2c1 7a_100011215330_200015260668 [0,1,0,1,0,0|2,0,0]=4 5195 B16R2.30013 C=CCNc1c(ccc2c1cccc2)Br 34a_100009817101_100015514636 [0,1,0,1,0,0|2,0,0]=4 5196 B16R2.30013 C=CCNc1c(ccc2c1cccc2)C 34a_100000688109_100015514636 [0,1,0,1,0,0|2,0,0]=4 5197 B16R2.30013 C=CCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100015514636 [0,1,0,1,0,0|2,0,0]=4 5198 B16R2.30013 C=CCNc1c(ccc2c1cccc2)O 34a_100000007056_100015514636 [0,1,0,1,0,0|1,0,1]=4 5199 B16R2.30013 C=CCOc1c(ccc2c1cccc2)Br 34a_100009996032_100015514636 [0,1,0,1,0,0|1,0,0]=3 5200 B16R2.30013 C=CCOc1c(ccc2c1cccc2)Br 7a_100009996032_100015514636 [0,1,0,1,0,0|1,0,0]=3 5201 B16R2.30013 C=CCOc1c(ccc2c1cccc2)C 34a_100000039261_100015514636 [0,1,0,1,0,0|1,0,0]=3 5202 B16R2.30013 C=CCOc1c(ccc2c1cccc2)C 7a_100000039261_100015514636 [0,1,0,1,0,0|1,0,0]=3 5203 B16R2.30013 C=CCOc1c(ccc2c1cccc2)N 34a_100000007060_100015514636 [0,1,0,1,0,0|1,0,0]=3 5204 B16R2.30013 C=CCOc1c(ccc2c1nccc2)Br 34a_100009816563_100015514636 [0,1,0,1,0,0|2,0,0]=4 5205 B16R2.30013 C=CCOc1c(ccc2c1nccc2)Cl 34a_100000700379_100015514636 [0,1,0,1,0,0|2,0,0]=4 5206 B16R2.30013 C=CCOc1c(ccc2c1nccc2)Cl 7a_100000700379_100015514636 [0,1,0,1,0,0|2,0,0]=4 5207 B16R2.30013 C=CCSc1c(ccc2c1cccc2)Br 62a_100000210623_100010090040 [0,1,0,1,0,0|1,1,0]=4 5208 B16R2.30013 C=CCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000210623 [0,1,0,1,0,0|1,1,0]=4 5209 B16R2.30013 C=CCSc1c(ccc2c1cccc2)C 62a_100000210623_100000759710 [0,1,0,1,0,0|1,1,0]=4 5210 B16R2.30013 C=CCSc1c(ccc2c1cccc2)C 62a_100000759710_100000210623 [0,1,0,1,0,0|1,1,0]=4 5211 B16R2.30013 C=CCSc1c(ccc2c1cccc2)N 62a_100000210623_100000705303 [0,1,0,1,0,0|1,1,0]=4 5212 B16R2.30013 C=CCSc1c(ccc2c1cccc2)N 62a_100000705303_100000210623 [0,1,0,1,0,0|1,1,0]=4 5213 B16R2.30013 C=CCSc1c(ccc2c1cccc2)O 62a_100000210623_100000183829 [0,1,0,1,0,0|0,1,1]=4 5214 B16R2.30013 Cc1ccc2ccccc2c1OCC=O 34a_100000039261_200009817547 [0,1,0,1,0,0|2,0,0]=4 5215 B16R2.30013 Cc1ccc2ccccc2c1OCC=O 7a_100000039261_200015260668 [0,1,0,1,0,0|2,0,0]=4 5216 B16R2.30013 Nc1ccc2ccccc2c1OCC=O 34a_100000007060_200009817547 [0,1,0,1,0,0|2,0,0]=4 5217 B16R2.30013 O=CCOc1c(ccc2c1cccc2)Br 34a_100009996032_200009817547 [0,1,0,1,0,0|2,0,0]=4 5218 B16R2.30013 O=CCOc1c(ccc2c1cccc2)Br 7a_100009996032_200015260668 [0,1,0,1,0,0|2,0,0]=4 5219 B16R2.1054 C=CCNc1cc(c2ccccc2c1)Br 34a_100010089974_100015514636 [0,1,0,1,0,0|2,0,0]=4 5220 B16R2.1054 C=CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100015514636 [0,1,0,1,0,0|2,0,0]=4 5221 B16R2.1054 C=CCNc1cc(c2ccccc2n1)C 27a_100020586998_100000184993 [0,1,0,1,0,0|2,0,0]=4 5222 B16R2.1054 C=CCOc1cc(=O)n2ccccc2n1 34a_100000751361_100015514636 [0,1,0,1,0,0|2,0,0]=4 5223 B16R2.1054 C=CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100015514636 [0,1,0,1,0,0|1,0,0]=3 5224 B16R2.1054 C=CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100015514636 [0,1,0,1,0,0|1,0,0]=3 5225 B16R2.1054 C=CCOc1cc(c2cnccc2c1)Br 34a_100011009069_100015514636 [0,1,0,1,0,0|2,0,0]=4 5226 B16R2.1054 C=CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100015514636 [0,1,0,1,0,0|2,0,0]=4 5227 B16R2.1054 C=CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100015514636 [0,1,0,1,0,0|2,0,0]=4 5228 B16R2.1054 C=CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100015514636 [0,1,0,1,0,0|2,0,0]=4 5229 B16R2.1054 C=CCOc1cc(c2ncccc2c1)F 34a_100009888031_100015514636 [0,1,0,1,0,0|2,0,0]=4 5230 B16R2.1054 C=CCOc1cc(c2ncccc2c1)F 7a_100009888031_100015514636 [0,1,0,1,0,0|2,0,0]=4 5231 B16R2.1054 C=CCOc1cc(c2ncccc2c1)N 34a_100000083691_100015514636 [0,1,0,1,0,0|2,0,0]=4 5232 B16R2.1054 C=CCSc1cc(=O)c2ccccc2[nH]1 62a_100000210623_100000090176 [0,1,0,1,0,0|1,1,0]=4 5233 B16R2.1054 C=CCSc1cc(c2ccccc2c1)N 62a_100000210623_100010171453 [0,1,0,1,0,0|1,1,0]=4 5234 B16R2.1054 C=CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210623 [0,1,0,1,0,0|1,1,0]=4 5235 B16R2.1054 C=CCSc1cc(c2ccccc2c1)O 62a_100000210623_100010089979 [0,1,0,1,0,0|1,1,0]=4 5236 B16R2.1054 C=CCSc1cc(c2ccccc2n1)C 62a_100000210623_100000184993 [0,1,0,1,0,0|1,1,0]=4 5237 B16R2.1054 C=CCSc1cc(c2ccccc2n1)C 62a_100012354972_100000210623 [0,1,0,1,0,0|1,1,0]=4 5238 B16R2.1054 C=CCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210623 [0,1,0,1,0,0|1,1,0]=4 5239 B16R2.1054 O=CCOc1cc(c2ccccc2c1)Br 34a_100010001680_200009817547 [0,1,0,1,0,0|2,0,0]=4 5240 B16R2.1054 O=CCOc1cc(c2ccccc2c1)Br 7a_100010001680_200015260668 [0,1,0,1,0,0|2,0,0]=4 5241 B16R2.3896 C=C(c1ccccc1)c2ccc[nH]c2=O 271570a_100000068269_100000050042 [0,1,0,1,0,0|1,0,1]=4 5242 B16R2.3896 C=C(c1ccccc1)c2ccn[nH]c2=O 271570a_100000068269_100000087129 [0,1,0,1,0,0|2,0,0]=4 5243 B16R2.1293 C=CCNc1ccc2cccc(c2c1)O 34a_100132313934_100015514636 [0,1,0,1,0,0|2,0,0]=4 5244 B16R2.1293 C=CCNc1ccc2cccc(c2n1)C 27a_100020586998_100012002297 [0,1,0,1,0,0|2,0,0]=4 5245 B16R2.1293 C=CCNc1ccc2cccc(c2n1)O 27a_100020586998_100010153751 [0,1,0,1,0,0|2,0,0]=4 5246 B16R2.1293 C=CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100015514636 [0,1,0,1,0,0|1,0,0]=3 5247 B16R2.1293 C=CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100015514636 [0,1,0,1,0,0|1,0,0]=3 5248 B16R2.1293 C=CCOc1ccc2cccc(c2c1)C 34a_200000091600_100015514636 [0,1,0,1,0,0|1,0,0]=3 5249 B16R2.1293 C=CCOc1ccc2cccc(c2c1)C 7a_200000091600_100015514636 [0,1,0,1,0,0|1,0,0]=3 5250 B16R2.1293 C=CCOc1ccc2cccc(c2c1)F 34a_100000091619_100015514636 [0,1,0,1,0,0|1,0,0]=3 5251 B16R2.1293 C=CCOc1ccc2cccc(c2c1)F 7a_100000091619_100015514636 [0,1,0,1,0,0|1,0,0]=3 5252 B16R2.1293 C=CCOc1ccc2cccc(c2c1)N 34a_100000034012_100015514636 [0,1,0,1,0,0|1,0,0]=3 5253 B16R2.1293 C=CCOc1ccc2cccc(c2c1)N 7a_100000034012_100015514636 [0,1,0,1,0,0|1,0,0]=3 5254 B16R2.1293 C=CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100015514636 [0,1,0,1,0,0|2,0,0]=4 5255 B16R2.1293 C=CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100015514636 [0,1,0,1,0,0|2,0,0]=4 5256 B16R2.1293 C=CCOc1ccc2nccc(c2c1)Br 34a_100010204251_100015514636 [0,1,0,1,0,0|2,0,0]=4 5257 B16R2.1293 C=CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100015514636 [0,1,0,1,0,0|2,0,0]=4 5258 B16R2.1293 C=CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100015514636 [0,1,0,1,0,0|2,0,0]=4 5259 B16R2.1293 C=CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100015514636 [0,1,0,1,0,0|2,0,0]=4 5260 B16R2.1293 C=CCSc1ccc2cccc(c2c1)C 62a_100000210623_100010089936 [0,1,0,1,0,0|1,1,0]=4 5261 B16R2.1293 C=CCSc1ccc2cccc(c2c1)N 62a_100000210623_100010090012 [0,1,0,1,0,0|1,1,0]=4 5262 B16R2.1293 C=CCSc1ccc2cccc(c2c1)N 62a_100010090012_100000210623 [0,1,0,1,0,0|1,1,0]=4 5263 B16R2.1293 C=CCSc1ccc2cccc(c2c1)O 62a_100000210623_100010089991 [0,1,0,1,0,0|1,1,0]=4 5264 B16R2.1293 C=CCSc1ccc2cccc(c2n1)C 62a_100000210623_100012002297 [0,1,0,1,0,0|1,1,0]=4 5265 B16R2.1293 C=CCSc1ccc2cccc(c2n1)F 62a_100000210623_100012017632 [0,1,0,1,0,0|1,1,0]=4 5266 B16R2.1293 C=CCSc1ccc2cccc(c2n1)O 62a_100000210623_100000013812 [0,1,0,1,0,0|1,1,0]=4 5267 B16R2.1293 Cc1cccc2c1cc(cc2)OCC=O 34a_200000091600_200009817547 [0,1,0,1,0,0|2,0,0]=4 5268 B16R2.1293 Cc1cccc2c1cc(cc2)OCC=O 7a_200000091600_200015260668 [0,1,0,1,0,0|2,0,0]=4 5269 B16R2.1293 Nc1cccc2c1cc(cc2)OCC=O 34a_100000034012_200009817547 [0,1,0,1,0,0|2,0,0]=4 5270 B16R2.1293 Nc1cccc2c1cc(cc2)OCC=O 7a_100000034012_200015260668 [0,1,0,1,0,0|2,0,0]=4 5271 B16R2.1293 O=CCOc1ccc2cccc(c2c1)Br 34a_100010169565_200009817547 [0,1,0,1,0,0|2,0,0]=4 5272 B16R2.1293 O=CCOc1ccc2cccc(c2c1)Br 7a_100010169565_200015260668 [0,1,0,1,0,0|2,0,0]=4 5273 B16R2.1293 O=CCOc1ccc2cccc(c2c1)F 34a_100000091619_200009817547 [0,1,0,1,0,0|2,0,0]=4 5274 B16R2.1293 O=CCOc1ccc2cccc(c2c1)F 7a_100000091619_200015260668 [0,1,0,1,0,0|2,0,0]=4 5275 B16R2.30336 C=CCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100015514636 [0,1,0,1,0,0|2,0,0]=4 5276 B16R2.30336 C=CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100015514636 [0,1,0,1,0,0|2,0,0]=4 5277 B16R2.30336 C=CCNc1ccc2cc(ccc2n1)C 27a_100020586998_100011865911 [0,1,0,1,0,0|2,0,0]=4 5278 B16R2.30336 C=CCNc1ccc2cc(ccc2n1)F 27a_100020586998_100011998705 [0,1,0,1,0,0|2,0,0]=4 5279 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100015514636 [0,1,0,1,0,0|1,0,0]=3 5280 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100015514636 [0,1,0,1,0,0|1,0,0]=3 5281 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100015514636 [0,1,0,1,0,0|1,0,0]=3 5282 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100015514636 [0,1,0,1,0,0|1,0,0]=3 5283 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100015514636 [0,1,0,1,0,0|1,0,0]=3 5284 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100015514636 [0,1,0,1,0,0|1,0,0]=3 5285 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100015514636 [0,1,0,1,0,0|1,0,0]=3 5286 B16R2.30336 C=CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100015514636 [0,1,0,1,0,0|1,0,0]=3 5287 B16R2.30336 C=CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100015514636 [0,1,0,1,0,0|2,0,0]=4 5288 B16R2.30336 C=CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100015514636 [0,1,0,1,0,0|2,0,0]=4 5289 B16R2.30336 C=CCOc1ccc2nc(ccc2c1)C 34a_100000037634_100015514636 [0,1,0,1,0,0|2,0,0]=4 5290 B16R2.30336 C=CCOc1ccc2nc(ccc2c1)C 7a_100000037634_100015514636 [0,1,0,1,0,0|2,0,0]=4 5291 B16R2.30336 C=CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100015514636 [0,1,0,1,0,0|2,0,0]=4 5292 B16R2.30336 C=CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100015514636 [0,1,0,1,0,0|2,0,0]=4 5293 B16R2.30336 C=CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100015514636 [0,1,0,1,0,0|2,0,0]=4 5294 B16R2.30336 C=CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100015514636 [0,1,0,1,0,0|2,0,0]=4 5295 B16R2.30336 C=CCOc1cnc2cc(ccc2c1)F 34a_100012184162_100015514636 [0,1,0,1,0,0|2,0,0]=4 5296 B16R2.30336 C=CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100015514636 [0,1,0,1,0,0|2,0,0]=4 5297 B16R2.30336 C=CCSc1ccc2cc(ccc2c1)Br 62a_100000210623_100012344972 [0,1,0,1,0,0|1,1,0]=4 5298 B16R2.30336 C=CCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000210623 [0,1,0,1,0,0|1,1,0]=4 5299 B16R2.30336 C=CCSc1ccc2cc(ccc2c1)F 62a_100000210623_100009817052 [0,1,0,1,0,0|1,1,0]=4 5300 B16R2.30336 C=CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210623 [0,1,0,1,0,0|1,1,0]=4 5301 B16R2.30336 C=CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210623 [0,1,0,1,0,0|1,1,0]=4 5302 B16R2.30336 C=CCSc1ccc2cc(ccc2c1)N 62a_100000210623_100000185457 [0,1,0,1,0,0|1,1,0]=4 5303 B16R2.30336 C=CCSc1ccc2cc(ccc2c1)O 62a_100000210623_100000185455 [0,1,0,1,0,0|1,1,0]=4 5304 B16R2.30336 C=CCSc1ccc2cc(ccc2n1)C 62a_100000210623_100011865911 [0,1,0,1,0,0|1,1,0]=4 5305 B16R2.30336 C=CCSc1ccc2cc(ccc2n1)C 62a_200000181977_100000210623 [0,1,0,1,0,0|1,1,0]=4 5306 B16R2.30336 C=CCSc1ccc2cc(ccc2n1)F 62a_100000210623_100011998705 [0,1,0,1,0,0|1,1,0]=4 5307 B16R2.30336 C=CCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000210623 [0,1,0,1,0,0|1,1,0]=4 5308 B16R2.30336 C=CCSc1ccc2cc(ccc2n1)O 62a_100000210623_100009849208 [0,1,0,1,0,0|1,1,0]=4 5309 B16R2.30336 Cc1ccc2cc(ccc2c1)OCC=O 34a_100000074090_200009817547 [0,1,0,1,0,0|2,0,0]=4 5310 B16R2.30336 Cc1ccc2cc(ccc2c1)OCC=O 7a_100000074090_200015260668 [0,1,0,1,0,0|2,0,0]=4 5311 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_200009817547 [0,1,0,1,0,0|2,0,0]=4 5312 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_200015260668 [0,1,0,1,0,0|2,0,0]=4 5313 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_200009817547 [0,1,0,1,0,0|2,0,0]=4 5314 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_200015260668 [0,1,0,1,0,0|2,0,0]=4 5315 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)F 34a_100009847029_200009817547 [0,1,0,1,0,0|2,0,0]=4 5316 B16R2.30336 O=CCOc1ccc2cc(ccc2c1)F 7a_100009847029_200015260668 [0,1,0,1,0,0|2,0,0]=4 5317 B16R2.1285 C=CCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100015514636 [0,1,0,1,0,0|2,0,0]=4 5318 B16R2.1285 C=CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100015514636 [0,1,0,1,0,0|2,0,0]=4 5319 B16R2.1285 C=CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100015514636 [0,1,0,1,0,0|2,0,0]=4 5320 B16R2.1285 C=CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100015514636 [0,1,0,1,0,0|2,0,0]=4 5321 B16R2.1285 C=CCOc1cc2cc(ccc2cn1)F 34a_200000101709_100015514636 [0,1,0,1,0,0|2,0,0]=4 5322 B16R2.1285 C=CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100015514636 [0,1,0,1,0,0|2,0,0]=4 5323 B16R2.1285 C=CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100015514636 [0,1,0,1,0,0|2,0,0]=4 5324 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100015514636 [0,1,0,1,0,0|1,0,0]=3 5325 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100015514636 [0,1,0,1,0,0|1,0,0]=3 5326 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)C 34a_100000091598_100015514636 [0,1,0,1,0,0|1,0,0]=3 5327 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100015514636 [0,1,0,1,0,0|1,0,0]=3 5328 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100015514636 [0,1,0,1,0,0|1,0,0]=3 5329 B16R2.1285 C=CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100015514636 [0,1,0,1,0,0|1,0,0]=3 5330 B16R2.1285 C=CCOc1ccc2ccc(nc2c1)C 34a_100009867695_100015514636 [0,1,0,1,0,0|2,0,0]=4 5331 B16R2.1285 C=CCOc1ccc2ccc(nc2c1)C 7a_100009867695_100015514636 [0,1,0,1,0,0|2,0,0]=4 5332 B16R2.1285 C=CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100015514636 [0,1,0,1,0,0|2,0,0]=4 5333 B16R2.1285 C=CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100015514636 [0,1,0,1,0,0|2,0,0]=4 5334 B16R2.1285 C=CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100015514636 [0,1,0,1,0,0|2,0,0]=4 5335 B16R2.1285 C=CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100015514636 [0,1,0,1,0,0|2,0,0]=4 5336 B16R2.1285 C=CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100015514636 [0,1,0,1,0,0|2,0,0]=4 5337 B16R2.1285 C=CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100015514636 [0,1,0,1,0,0|2,0,0]=4 5338 B16R2.1285 C=CCOc1ccc2ncc(cc2c1)F 34a_100009845357_100015514636 [0,1,0,1,0,0|2,0,0]=4 5339 B16R2.1285 C=CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100015514636 [0,1,0,1,0,0|2,0,0]=4 5340 B16R2.1285 C=CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100015514636 [0,1,0,1,0,0|2,0,0]=4 5341 B16R2.1285 C=CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100015514636 [0,1,0,1,0,0|2,0,0]=4 5342 B16R2.1285 C=CCSc1ccc2ccc(cc2c1)N 62a_100000210623_100010090036 [0,1,0,1,0,0|1,1,0]=4 5343 B16R2.1285 C=CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210623 [0,1,0,1,0,0|1,1,0]=4 5344 B16R2.1285 C=CCSc1ccc2ccc(cc2c1)O 62a_100000210623_100009816537 [0,1,0,1,0,0|1,1,0]=4 5345 B16R2.1285 C=CCSc1ccc2ccc(cc2n1)O 62a_100000210623_100000079174 [0,1,0,1,0,0|1,1,0]=4 5346 B16R2.1285 Cc1ccc2ccc(cc2c1)OCC=O 34a_100000091598_200009817547 [0,1,0,1,0,0|2,0,0]=4 5347 B16R2.1285 Cc1ccc2ccc(cc2c1)OCC=O 7a_100000091598_200015260668 [0,1,0,1,0,0|2,0,0]=4 5348 B16R2.1285 Nc1ccc2ccc(cc2c1)OCC=O 34a_100015378740_200009817547 [0,1,0,1,0,0|2,0,0]=4 5349 B16R2.1285 Nc1ccc2ccc(cc2c1)OCC=O 7a_100015378740_200015260668 [0,1,0,1,0,0|2,0,0]=4 5350 B16R2.1285 O=CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_200009817547 [0,1,0,1,0,0|2,0,0]=4 5351 B16R2.1285 O=CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_200015260668 [0,1,0,1,0,0|2,0,0]=4 5352 B16R2.1056 C=CCNc1cc2ccccc2cc1Br 34a_100009991566_100015514636 [0,1,0,1,0,0|2,0,0]=4 5353 B16R2.1056 C=CCNc1cc2ccccc2cc1Br 7a_100009991566_100015514636 [0,1,0,1,0,0|2,0,0]=4 5354 B16R2.1056 C=CCNc1nc2ccccc2cc1C 27a_100020586998_100000751756 [0,1,0,1,0,0|2,0,0]=4 5355 B16R2.1056 C=CCOc1cc2ccccc2cc1Br 34a_100009817189_100015514636 [0,1,0,1,0,0|1,0,0]=3 5356 B16R2.1056 C=CCOc1cc2ccccc2cc1Br 7a_100009817189_100015514636 [0,1,0,1,0,0|1,0,0]=3 5357 B16R2.1056 C=CCOc1cc2ccccc2cc1C 34a_100000091601_100015514636 [0,1,0,1,0,0|1,0,0]=3 5358 B16R2.1056 C=CCOc1cc2ccccc2cc1C 7a_100000091601_100015514636 [0,1,0,1,0,0|1,0,0]=3 5359 B16R2.1056 C=CCOc1cc2ccccc2cc1N 34a_106744474703_100015514636 [0,1,0,1,0,0|1,0,0]=3 5360 B16R2.1056 C=CCOc1cc2ccccc2cc1N 7a_106744474703_100015514636 [0,1,0,1,0,0|1,0,0]=3 5361 B16R2.1056 C=CCOc1cc2ccccc2nc1C 34a_200000079175_100015514636 [0,1,0,1,0,0|2,0,0]=4 5362 B16R2.1056 C=CCOc1cc2ccccc2nc1C 7a_200000079175_100015514636 [0,1,0,1,0,0|2,0,0]=4 5363 B16R2.1056 C=CCOc1cc2ccccc2nc1Cl 34a_200000100762_100015514636 [0,1,0,1,0,0|2,0,0]=4 5364 B16R2.1056 C=CCOc1cc2ccccc2nc1Cl 7a_200000100762_100015514636 [0,1,0,1,0,0|2,0,0]=4 5365 B16R2.1056 C=CCOc1cc2ccccc2oc1=O 7a_100000061252_100015514636 [0,1,0,1,0,0|2,0,0]=4 5366 B16R2.1056 C=CCOc1cc2cccnc2cc1Br 34a_200010153759_100015514636 [0,1,0,1,0,0|2,0,0]=4 5367 B16R2.1056 C=CCOc1cc2cccnc2cc1Br 7a_200010153759_100015514636 [0,1,0,1,0,0|2,0,0]=4 5368 B16R2.1056 C=CCSc1cc2ccccc2cc1Br 62a_100000210623_200010169544 [0,1,0,1,0,0|1,1,0]=4 5369 B16R2.1056 C=CCSc1cc2ccccc2cc1Br 62a_200010169544_100000210623 [0,1,0,1,0,0|1,1,0]=4 5370 B16R2.1056 C=CCSc1cc2ccccc2cc1Cl 62a_100000210623_100010152806 [0,1,0,1,0,0|1,1,0]=4 5371 B16R2.1056 C=CCSc1cc2ccccc2cc1Cl 62a_100010152806_100000210623 [0,1,0,1,0,0|1,1,0]=4 5372 B16R2.1056 C=CCSc1cc2ccccc2cc1N 62a_100000210623_100009991566 [0,1,0,1,0,0|1,1,0]=4 5373 B16R2.1056 C=CCSc1cc2ccccc2cc1N 62a_100009991566_100000210623 [0,1,0,1,0,0|1,1,0]=4 5374 B16R2.1056 C=CCSc1cc2ccccc2cc1O 62a_100000210623_100009817189 [0,1,0,1,0,0|1,1,0]=4 5375 B16R2.1056 C=CCSc1nc2ccccc2cc1Br 62a_100000210623_100010072790 [0,1,0,1,0,0|1,1,0]=4 5376 B16R2.1056 C=CCSc1nc2ccccc2cc1Br 62a_100010072790_100000210623 [0,1,0,1,0,0|1,1,0]=4 5377 B16R2.1056 C=CCSc1nc2ccccc2cc1C 62a_100000210623_100000751756 [0,1,0,1,0,0|1,1,0]=4 5378 B16R2.1056 C=CCSc1nc2ccccc2cc1O 62a_100000210623_200000100762 [0,1,0,1,0,0|1,1,0]=4 5379 B16R2.1056 Cc1cc2ccccc2cc1OCC=O 34a_100000091601_200009817547 [0,1,0,1,0,0|2,0,0]=4 5380 B16R2.1056 Cc1cc2ccccc2cc1OCC=O 7a_100000091601_200015260668 [0,1,0,1,0,0|2,0,0]=4 5381 B16R2.1056 Nc1cc2ccccc2cc1OCC=O 34a_106744474703_200009817547 [0,1,0,1,0,0|2,0,0]=4 5382 B16R2.1056 Nc1cc2ccccc2cc1OCC=O 7a_106744474703_200015260668 [0,1,0,1,0,0|2,0,0]=4 5383 B16R2.1056 O=CCOc1cc2ccccc2cc1Br 34a_100009817189_200009817547 [0,1,0,1,0,0|2,0,0]=4 5384 B16R2.1056 O=CCOc1cc2ccccc2cc1Br 7a_100009817189_200015260668 [0,1,0,1,0,0|2,0,0]=4 5385 B16R2.2128 C=CCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000754431 [0,1,0,1,0,0|1,0,0]=3 5386 B16R2.2128 C=CCNC(=O)C1=Cc2ccccc2C1 1626a_100020586998_100009862756 [0,1,0,1,0,0|1,0,0]=3 5387 B16R2.2128 C=CCNC(=O)C1=Cc2ccccc2C1 240690a_100020586998_100009862756 [0,1,0,1,0,0|1,0,0]=3 5388 B16R2.2128 C=CCOC(C)c1cc2ccccc2o1 34a_100000198572_100015514636 [0,1,0,1,0,0|1,0,1]=4 5389 B16R2.2128 C=CCOC(C)c1cc2ccccc2o1 7a_100000198572_100015514636 [0,1,0,1,0,0|1,0,1]=4 5390 B16R2.5347 C=CC(C)Sc1ccc2ccccc2c1 62a_100011215867_100000233703 [0,1,0,1,0,0|1,1,0]=4 5391 B16R2.5347 C=CC(C)Sc1ccc2ccccc2n1 62a_100011215867_100011291633 [0,1,0,1,0,0|1,1,0]=4 5392 B16R2.767 C=CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210623 [0,1,0,1,0,0|2,0,0]=4 5393 B16R2.767 C=CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210623 [0,1,0,1,0,0|2,0,0]=4 5394 B16R2.767 C=CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210623 [0,1,0,1,0,0|2,0,0]=4 5395 B16R2.767 C=CCN(C)c1ccc2ccccc2c1 34a_100000181211_100015514636 [0,1,0,1,0,0|2,0,0]=4 5396 B16R2.163604 C=CCNc1ccc2c(cccc2c1)O 34a_100000035793_100015514636 [0,1,0,1,0,0|2,0,0]=4 5397 B16R2.163604 C=CCNc1ccc2c(cccc2c1)O 7a_100000035793_100015514636 [0,1,0,1,0,0|2,0,0]=4 5398 B16R2.163604 C=CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100015514636 [0,1,0,1,0,0|2,0,0]=4 5399 B16R2.163604 C=CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100015514636 [0,1,0,1,0,0|2,0,0]=4 5400 B16R2.163604 C=CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100015514636 [0,1,0,1,0,0|2,0,0]=4 5401 B16R2.163604 C=CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100015514636 [0,1,0,1,0,0|2,0,0]=4 5402 B16R2.163604 C=CCOc1ccc2c(cccc2c1)N 34a_100000034668_100015514636 [0,1,0,1,0,0|1,0,0]=3 5403 B16R2.163604 C=CCOc1ccc2c(cccc2c1)N 7a_100000034668_100015514636 [0,1,0,1,0,0|1,0,0]=3 5404 B16R2.163604 C=CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100015514636 [0,1,0,1,0,0|2,0,0]=4 5405 B16R2.163604 C=CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100015514636 [0,1,0,1,0,0|2,0,0]=4 5406 B16R2.163604 C=CCOc1ccc2c(ccnc2c1)C 34a_200009854145_100015514636 [0,1,0,1,0,0|2,0,0]=4 5407 B16R2.163604 C=CCOc1ccc2c(ccnc2c1)C 7a_200009854145_100015514636 [0,1,0,1,0,0|2,0,0]=4 5408 B16R2.163604 C=CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100015514636 [0,1,0,1,0,0|2,0,0]=4 5409 B16R2.163604 C=CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100015514636 [0,1,0,1,0,0|2,0,0]=4 5410 B16R2.163604 C=CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100015514636 [0,1,0,1,0,0|2,0,0]=4 5411 B16R2.163604 C=CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100015514636 [0,1,0,1,0,0|2,0,0]=4 5412 B16R2.163604 C=CCOc1cnc2c(cccc2c1)F 34a_100012184956_100015514636 [0,1,0,1,0,0|2,0,0]=4 5413 B16R2.163604 C=CCOc1cnc2c(cccc2c1)F 7a_100012184956_100015514636 [0,1,0,1,0,0|2,0,0]=4 5414 B16R2.163604 C=CCSc1ccc2c(cccc2c1)N 62a_100000210623_100010090037 [0,1,0,1,0,0|1,1,0]=4 5415 B16R2.163604 C=CCSc1ccc2c(cccc2c1)N 62a_100010090037_100000210623 [0,1,0,1,0,0|1,1,0]=4 5416 B16R2.163604 C=CCSc1ccc2c(cccc2c1)O 62a_100000210623_100010202202 [0,1,0,1,0,0|1,1,0]=4 5417 B16R2.163604 Nc1cccc2c1ccc(c2)OCC=O 34a_100000034668_200009817547 [0,1,0,1,0,0|2,0,0]=4 5418 B16R2.163604 Nc1cccc2c1ccc(c2)OCC=O 7a_100000034668_200015260668 [0,1,0,1,0,0|2,0,0]=4 5419 B16R2.2942 C=CCNc1ccc2ccccc2c1Br 34a_100000705303_100015514636 [0,1,0,1,0,0|2,0,0]=4 5420 B16R2.2942 C=CCNc1ccc2ccccc2c1Cl 34a_100000075557_100015514636 [0,1,0,1,0,0|2,0,0]=4 5421 B16R2.2942 C=CCNc1ccc2ccccc2c1O 34a_100000007060_100015514636 [0,1,0,1,0,0|1,0,1]=4 5422 B16R2.2942 C=CCOc1ccc2ccccc2c1Br 34a_100000183829_100015514636 [0,1,0,1,0,0|1,0,0]=3 5423 B16R2.2942 C=CCOc1ccc2ccccc2c1Br 7a_100000183829_100015514636 [0,1,0,1,0,0|1,0,0]=3 5424 B16R2.2942 C=CCOc1ccc2ccccc2c1C 34a_100009830054_100015514636 [0,1,0,1,0,0|1,0,0]=3 5425 B16R2.2942 C=CCOc1ccc2ccccc2c1C 7a_100009830054_100015514636 [0,1,0,1,0,0|1,0,0]=3 5426 B16R2.2942 C=CCOc1ccc2ccccc2c1Cl 34a_100000029778_100015514636 [0,1,0,1,0,0|1,0,0]=3 5427 B16R2.2942 C=CCOc1ccc2ccccc2c1Cl 7a_100000029778_100015514636 [0,1,0,1,0,0|1,0,0]=3 5428 B16R2.2942 C=CCOc1ccc2ccccc2c1I 34a_100000041551_100015514636 [0,1,0,1,0,0|1,0,0]=3 5429 B16R2.2942 C=CCOc1ccc2ccccc2c1I 7a_100000041551_100015514636 [0,1,0,1,0,0|1,0,0]=3 5430 B16R2.2942 C=CCOc1ccc2ccccc2c1N 34a_100000007056_100015514636 [0,1,0,1,0,0|1,0,0]=3 5431 B16R2.2942 C=CCOc1ccc2ccccc2c1N 7a_100000007056_100015514636 [0,1,0,1,0,0|1,0,0]=3 5432 B16R2.2942 C=CCOc1ccc2cccnc2c1Br 34a_100010173343_100015514636 [0,1,0,1,0,0|2,0,0]=4 5433 B16R2.2942 C=CCOc1ccc2cccnc2c1Br 7a_100010173343_100015514636 [0,1,0,1,0,0|2,0,0]=4 5434 B16R2.2942 C=CCOc1ccc2ccncc2c1Br 34a_200010115057_100015514636 [0,1,0,1,0,0|2,0,0]=4 5435 B16R2.2942 C=CCOc1ccc2ccncc2c1Br 7a_200010115057_100015514636 [0,1,0,1,0,0|2,0,0]=4 5436 B16R2.2942 C=CCOc1ccc2cnccc2c1Cl 34a_100009824633_100015514636 [0,1,0,1,0,0|2,0,0]=4 5437 B16R2.2942 C=CCOc1ccc2cnccc2c1Cl 7a_100009824633_100015514636 [0,1,0,1,0,0|2,0,0]=4 5438 B16R2.2942 C=CCSc1c[nH]c2ccccc2c1=O 62a_100000210623_100012348052 [0,1,0,1,0,0|1,1,0]=4 5439 B16R2.2942 C=CCSc1ccc2ccccc2c1Br 62a_100000210623_200010089984 [0,1,0,1,0,0|1,1,0]=4 5440 B16R2.2942 C=CCSc1ccc2ccccc2c1Br 62a_200010089984_100000210623 [0,1,0,1,0,0|1,1,0]=4 5441 B16R2.2942 C=CCSc1ccc2ccccc2c1C 62a_100000210623_100010221197 [0,1,0,1,0,0|1,1,0]=4 5442 B16R2.2942 C=CCSc1ccc2ccccc2c1C 62a_100010221197_100000210623 [0,1,0,1,0,0|1,1,0]=4 5443 B16R2.2942 C=CCSc1ccc2ccccc2c1F 62a_100000210623_100009832041 [0,1,0,1,0,0|1,1,0]=4 5444 B16R2.2942 C=CCSc1ccc2ccccc2c1F 62a_100009832041_100000210623 [0,1,0,1,0,0|1,1,0]=4 5445 B16R2.2942 C=CCSc1ccc2ccccc2c1N 62a_100009817101_100000210623 [0,1,0,1,0,0|1,1,0]=4 5446 B16R2.2942 C=CCSc1ccc2ccccc2c1O 62a_100000210623_100009996032 [0,1,0,1,0,0|0,1,1]=4 5447 B16R2.2942 C=CCSc1coc2ccccc2c1=O 62a_100000210623_100009813851 [0,1,0,1,0,0|1,1,0]=4 5448 B16R2.2942 Cc1c(ccc2c1cccc2)OCC=O 34a_100009830054_200009817547 [0,1,0,1,0,0|2,0,0]=4 5449 B16R2.2942 Cc1c(ccc2c1cccc2)OCC=O 7a_100009830054_200015260668 [0,1,0,1,0,0|2,0,0]=4 5450 B16R2.2942 Nc1c(ccc2c1cccc2)OCC=O 34a_100000007056_200009817547 [0,1,0,1,0,0|2,0,0]=4 5451 B16R2.2942 Nc1c(ccc2c1cccc2)OCC=O 7a_100000007056_200015260668 [0,1,0,1,0,0|2,0,0]=4 5452 B16R2.2942 O=CCOc1ccc2ccccc2c1Br 34a_100000183829_200009817547 [0,1,0,1,0,0|2,0,0]=4 5453 B16R2.2942 O=CCOc1ccc2ccccc2c1Br 7a_100000183829_200015260668 [0,1,0,1,0,0|2,0,0]=4 5454 B16R2.2942 O=CCOc1ccc2ccccc2c1Cl 34a_100000029778_200009817547 [0,1,0,1,0,0|2,0,0]=4 5455 B16R2.2942 O=CCOc1ccc2ccccc2c1Cl 7a_100000029778_200015260668 [0,1,0,1,0,0|2,0,0]=4 5456 B16R2.2942 O=CCOc1ccc2ccccc2c1I 34a_100000041551_200009817547 [0,1,0,1,0,0|2,0,0]=4 5457 B16R2.2942 O=CCOc1ccc2ccccc2c1I 7a_100000041551_200015260668 [0,1,0,1,0,0|2,0,0]=4 5458 B16R2.477 C=C(C)CNc1ccc2ccccc2c1 34a_100000211940_100000748629 [0,1,0,1,0,0|2,0,0]=4 5459 B16R2.477 C=C(C)CNc1ccc2ccccc2c1 7a_100000211940_100000748629 [0,1,0,1,0,0|2,0,0]=4 5460 B16R2.477 C=C(C)CNc1ccc2ccccc2n1 27a_100000765925_100011291633 [0,1,0,1,0,0|2,0,0]=4 5461 B16R2.477 C=C(C)COc1ccc2ccccc2c1 34a_100000185828_100000748629 [0,1,0,1,0,0|1,0,0]=3 5462 B16R2.477 C=C(C)COc1ccc2ccccc2c1 7a_100000185828_100000748629 [0,1,0,1,0,0|1,0,0]=3 5463 B16R2.477 C=C(C)COc1ccc2cccnc2c1 34a_100011216045_100000748629 [0,1,0,1,0,0|2,0,0]=4 5464 B16R2.477 C=C(C)COc1ccc2ccncc2c1 7a_100000752006_100000748629 [0,1,0,1,0,0|2,0,0]=4 5465 B16R2.477 C=C(C)COc1ccc2cnccc2c1 34a_100000046372_100000748629 [0,1,0,1,0,0|2,0,0]=4 5466 B16R2.477 C=C(C)COc1ccc2cnccc2c1 7a_100000046372_100000748629 [0,1,0,1,0,0|2,0,0]=4 5467 B16R2.477 C=C(C)COc1ccc2ncccc2c1 34a_100011215586_100000748629 [0,1,0,1,0,0|2,0,0]=4 5468 B16R2.477 C=C(C)COc1ccc2ncccc2c1 7a_100011215586_100000748629 [0,1,0,1,0,0|2,0,0]=4 5469 B16R2.477 C=C(C)COc1cnc2ccccc2c1 34a_100011934006_100000748629 [0,1,0,1,0,0|2,0,0]=4 5470 B16R2.477 C=C(C)COc1cnc2ccccc2c1 7a_100011934006_100000748629 [0,1,0,1,0,0|2,0,0]=4 5471 B16R2.477 C=C(C)CSc1ccc2ccccc2c1 62a_100000748629_100000233703 [0,1,0,1,0,0|1,1,0]=4 5472 B16R2.477 C=C(C)CSc1ccc2ccccc2n1 62a_100000748629_100011291633 [0,1,0,1,0,0|1,1,0]=4 5473 B16R2.477 C=C(C)CSc1ccc2ccccc2n1 62a_100011291633_100000211660 [0,1,0,1,0,0|1,1,0]=4 5474 B16R2.477 C=C(F)CNc1ccc2ccccc2c1 34a_100000211940_100009893438 [0,1,0,1,0,0|2,0,0]=4 5475 B16R2.477 C=C(F)CNc1ccc2ccccc2c1 7a_100000211940_100000042424 [0,1,0,1,0,0|2,0,0]=4 5476 B16R2.477 C=C(F)COc1ccc2ccccc2c1 34a_100000185828_100009893438 [0,1,0,1,0,0|1,0,0]=3 5477 B16R2.477 C=C(F)COc1ccc2ccccc2c1 7a_100000185828_100000042424 [0,1,0,1,0,0|1,0,0]=3 5478 B16R2.477 C=C(F)COc1ccc2cccnc2c1 34a_100011216045_100009893438 [0,1,0,1,0,0|2,0,0]=4 5479 B16R2.477 C=C(F)COc1ccc2ccncc2c1 7a_100000752006_100000042424 [0,1,0,1,0,0|2,0,0]=4 5480 B16R2.477 C=C(F)COc1ccc2cnccc2c1 34a_100000046372_100009893438 [0,1,0,1,0,0|2,0,0]=4 5481 B16R2.477 C=C(F)COc1ccc2cnccc2c1 7a_100000046372_100000042424 [0,1,0,1,0,0|2,0,0]=4 5482 B16R2.477 C=C(F)COc1ccc2ncccc2c1 34a_100011215586_100009893438 [0,1,0,1,0,0|2,0,0]=4 5483 B16R2.477 C=C(F)COc1ccc2ncccc2c1 7a_100011215586_100000042424 [0,1,0,1,0,0|2,0,0]=4 5484 B16R2.477 C=C(F)COc1cnc2ccccc2c1 34a_100011934006_100009893438 [0,1,0,1,0,0|2,0,0]=4 5485 B16R2.477 C=C(F)COc1cnc2ccccc2c1 7a_100011934006_100000042424 [0,1,0,1,0,0|2,0,0]=4 5486 B16R2.477 C=C(F)CSc1ccc2ccccc2c1 62a_100000042424_100000233703 [0,1,0,1,0,0|1,1,0]=4 5487 B16R2.477 C=C(F)CSc1ccc2ccccc2n1 62a_100000042424_100011291633 [0,1,0,1,0,0|1,1,0]=4 5488 B16R2.477 C=C(F)CSc1ccc2ccccc2n1 62a_100011291633_100000042424 [0,1,0,1,0,0|1,1,0]=4 5489 B16R2.477 CC(=O)COc1ccc2ccccc2c1 1458a_100000185456_200000210301 [0,1,0,1,0,0|1,0,1]=4 5490 B16R2.477 NC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000187820 [0,1,0,1,0,0|2,0,0]=4 5491 B16R2.477 NC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000187820 [0,1,0,1,0,0|2,0,0]=4 5492 B16R2.477 O=C([O-])COc1ccc2ccccc2c1 34a_100000185828_100020667443 [0,1,0,1,0,0|2,0,0]=4 5493 B16R2.477 [13CH3]C(=O)COc1ccc2ccccc2c1 1458a_100000185456_200025704644 [0,1,0,1,0,0|1,0,1]=4 5494 B12R0.103 C=CC=CC(=O)CC(=O)OCC=C 1458a_100016291481_100000033060 [0,0,1,0,1,0|1,0,1]=4 5495 B12R1.32 C=CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210623 [1,0,0,0,1,0|1,0,1]=4 5496 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [1,0,0,0,1,0|0,0,1]=3 5497 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000210193_100000721315 [1,0,0,0,1,0|1,0,1]=4 5498 B12R1.32 C=CCC(=O)Cc1ccccn1 1458a_100000233486_100000210623 [1,0,0,0,1,0|1,0,1]=4 5499 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000210193_100000733263 [1,0,0,0,1,0|1,0,1]=4 5500 B12R1.32 C=CCC(=O)Cc1cccnc1 1458a_100000737805_100000210623 [1,0,0,0,1,0|1,0,1]=4 5501 B12R1.32 C=CCC(=O)Cc1ccncc1 1458a_100000210193_100000705612 [1,0,0,0,1,0|1,0,1]=4 5502 B12R1.32 C=CCC(=O)Nc1ccccc1 11a_100000106764_100000210193 [1,0,0,0,1,0|1,0,0]=3 5503 B12R1.32 C=CCC(=O)Nc1ccccc1 1626a_100000106764_100000210193 [1,0,0,0,1,0|1,0,0]=3 5504 B12R1.32 C=CCC(=O)Nc1ccccc1 22a_100000106764_100000210193 [1,0,0,0,1,0|1,0,0]=3 5505 B12R1.32 C=CCC(=O)Nc1ccccc1 527a_100000106764_100000210193 [1,0,0,0,1,0|1,0,0]=3 5506 B12R1.51 C=CCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100000210623 [1,0,0,0,1,0|2,0,0]=4 5507 B12R1.51 C=CCC(=O)C=Cc1cccs1 1458a_100000182767_100000210623 [1,0,0,0,1,0|1,0,0]=3 5508 B12R1.51 C=CCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210623 [1,0,0,0,1,0|1,0,0]=3 5509 B12R1.51 C=CCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210623 [1,0,0,0,1,0|1,0,0]=3 5510 B12R1.51 C=CCC(=O)C=Cc1cscn1 1458a_200000747928_100000210623 [1,0,0,0,1,0|2,0,0]=4 5511 B12R1.51 C=CCC(=O)C=Cc1nccs1 1458a_100102558208_100000210623 [1,0,0,0,1,0|2,0,0]=4 5512 B12R1.51 CCOC(=O)C=Cc1ccco1 271570a_100010199719_100009814098 [1,0,0,0,1,0|1,0,1]=4 5513 B12R1.51 CCOC(=O)C=Cc1cccs1 271570a_100010199719_100011215356 [1,0,0,0,1,0|1,0,1]=4 5514 B12R1.51 CCOC(=O)C=Cc1ccoc1 271570a_100010199719_100011215275 [1,0,0,0,1,0|1,0,1]=4 5515 B12R1.51 CCOC(=O)C=Cc1ccsc1 271570a_100010199719_100000738268 [1,0,0,0,1,0|1,0,1]=4 5516 B12R1.30 C=CCCC(=O)c1ccccc1 1458a_100000185807_100000754431 [0,0,0,0,2,0|1,0,0]=3 5517 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [0,0,0,0,2,0|1,0,0]=3 5518 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [0,0,0,0,2,0|1,0,0]=3 5519 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [0,0,0,0,2,0|1,0,0]=3 5520 B12R1.30 C=CCOC(C)c1ccccc1 34a_200000210373_100000211855 [0,0,0,0,2,0|1,0,1]=4 5521 B12R1.30 C=CCO[C@H](C)c1ccccc1 34a_100000761318_100015514636 [0,0,0,0,2,0|1,0,1]=4 5522 B12R1.30 C=CCO[C@H](C)c1ccccc1 7a_100000761318_100015514636 [0,0,0,0,2,0|1,0,1]=4 5523 B12R1.30 CNCOC(=O)c1ccccc1 7a_106832991635_100000073877 [0,0,0,0,2,0|1,0,1]=4 5524 B12R1.30 CSCOC(=O)c1ccccc1 62a_100000073877_200000210301 [0,0,0,0,2,0|1,0,1]=4 5525 B12R1.30 CSCOC(=O)c1ccccc1 62a_200000210301_100000073877 [0,0,0,0,2,0|1,0,1]=4 5526 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_100000073877_200025704644 [0,0,0,0,2,0|1,0,1]=4 5527 B12R1.30 [13CH3]SCOC(=O)c1ccccc1 62a_200025704644_100000073877 [0,0,0,0,2,0|1,0,1]=4 5528 B16R1.1465 C=CC=CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100016291481 [0,0,0,0,0,2|1,0,1]=4 5529 B16R1.1465 C=CCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000754431 [0,0,0,0,0,2|1,0,0]=3 5530 B16R1.1465 C=CCCC(=O)C=CCCc1ccccc1 1458a_100016484021_100000754431 [0,0,0,0,0,2|1,0,0]=3 5531 B16R1.1465 C=CCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000749702 [0,0,0,0,0,2|1,0,0]=3 5532 B16R1.1465 C=CCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000749702 [0,0,0,0,0,2|1,0,0]=3 5533 B16R1.1465 C=CCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000749702 [0,0,0,0,0,2|1,0,0]=3 5534 B16R1.1465 C=CCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000749702 [0,0,0,0,0,2|1,0,0]=3 5535 B16R1.1465 C=CCNC(=O)C=C/C=C/c1ccccc1 1626a_100020586998_100016289705 [0,0,0,0,0,2|1,0,0]=3 5536 B16R1.1465 C=CCNC(=O)C=CCCc1ccccc1 1626a_100020586998_100016484021 [0,0,0,0,0,2|1,0,0]=3 5537 B16R1.1465 C=CCNC(=O)C=CCCc1ccccc1 240690a_100020586998_100016484021 [0,0,0,0,0,2|1,0,0]=3 5538 B16R1.1465 C=CCNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100020586998 [0,0,0,0,0,2|1,0,0]=3 5539 B16R1.1465 C=CCNC(=O)NC/C=C/c1ccccc1 273464a_100020586998_100020603302 [0,0,0,0,0,2|1,0,0]=3 5540 B16R1.1465 C=CCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100020586998 [0,0,0,0,0,2|1,0,0]=3 5541 B16R1.1465 C=CCNC(=O)NC/C=C/c1ccccc1 512a_100020586998_100020603302 [0,0,0,0,0,2|1,0,0]=3 5542 B16R1.1465 C=CCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100020586998 [0,0,0,0,0,2|1,0,0]=3 5543 B16R1.1465 C=CCOC(=O)CNCCc1ccccc1 2230a_100000106460_100000033060 [0,0,0,0,0,2|0,0,2]=4 5544 B16R1.1465 C=CCOC(=O)CNCCc1ccccc1 34a_100000106460_100000033060 [0,0,0,0,0,2|0,0,2]=4 5545 B16R1.1465 C=CCOC(=O)COCCc1ccccc1 34a_100000210268_100000033060 [0,0,0,0,0,2|0,0,2]=4 5546 B16R1.1465 C=CCOC(=O)COCCc1ccccc1 7a_100000210268_100000033060 [0,0,0,0,0,2|0,0,2]=4 5547 B16R1.1465 C=CCOC(=O)CSCCc1ccccc1 62a_100000033060_100011218657 [0,0,0,0,0,2|0,0,2]=4 5548 B16R1.1465 C=CCOC(=O)CSCCc1ccccc1 62a_100000765856_100000033060 [0,0,0,0,0,2|0,0,2]=4 5549 B16R1.1465 C=CCOC(=O)CSCSc1ccccc1 62a_100000033060_100011218342 [0,0,0,0,0,2|0,0,2]=4 5550 B16R1.1465 C=CCOC(=O)CSCSc1ccccc1 62a_100011218342_100000033060 [0,0,0,0,0,2|0,0,2]=4