0 B14R1.156 C#CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000753159 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.156 C#CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000753159 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.156 C#CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000753159 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.156 C#CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000753159 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.156 C#CCNC(=O)C#Cc1ccccc1 240690a_100000212058_100000736102 [0,0,0,0,0,0|1,0,3]=4 5 B14R1.156 C#CCNC(=O)C=Cc1ccccc1 11a_100000212058_100000210462 [0,0,0,0,0,0|1,0,1]=2 6 B14R1.156 C#CCNC(=O)C=Cc1ccccc1 1626a_100000212058_100000210462 [0,0,0,0,0,0|1,0,1]=2 7 B14R1.156 C#CCNC(=O)C=Cc1ccccn1 11a_100000212058_100000740811 [0,0,0,0,0,0|2,0,1]=3 8 B14R1.156 C#CCNC(=O)C=Cc1ccccn1 240690a_100000212058_100000740811 [0,0,0,0,0,0|2,0,1]=3 9 B14R1.156 C#CCNC(=O)C=Cc1cccnc1 11a_100000212058_100000735890 [0,0,0,0,0,0|2,0,1]=3 10 B14R1.156 C#CCNC(=O)C=Cc1cccnc1 240690a_100000212058_100000735890 [0,0,0,0,0,0|2,0,1]=3 11 B14R1.156 C#CCNC(=O)C=Cc1ccncc1 240690a_100000212058_100000682801 [0,0,0,0,0,0|2,0,1]=3 12 B14R1.156 C#CCNC(=O)CCc1ccccc1 11a_100000212058_100000185753 [0,0,0,0,0,0|1,0,3]=4 13 B14R1.156 C#CCNC(=O)CCc1ccccc1 1626a_100000212058_100000185753 [0,0,0,0,0,0|1,0,3]=4 14 B14R1.156 C#CCNC(=O)CCc1ccccc1 240690a_100000212058_100000185753 [0,0,0,0,0,0|1,0,3]=4 15 B14R1.156 C#CCNC(=O)CCc1ccccc1 527a_100000212058_100000185753 [0,0,0,0,0,0|1,0,3]=4 16 B14R1.156 C#CCNC(=O)COc1ccccc1 11a_100000212058_100000186222 [0,0,0,0,0,0|2,0,2]=4 17 B14R1.156 C#CCNC(=O)COc1ccccc1 1626a_100000212058_100000186222 [0,0,0,0,0,0|2,0,2]=4 18 B14R1.156 C#CCNC(=O)COc1ccccc1 240690a_100000212058_100000186222 [0,0,0,0,0,0|2,0,2]=4 19 B14R1.156 C#CCNC(=O)COc1ccccc1 527a_100000212058_100000186222 [0,0,0,0,0,0|2,0,2]=4 20 B14R1.156 C#CCNC(=O)CSc1ccccc1 11a_100000212058_100000211596 [0,0,0,0,0,0|2,0,2]=4 21 B14R1.156 C#CCNC(=O)CSc1ccccc1 1626a_100000212058_100000211596 [0,0,0,0,0,0|2,0,2]=4 22 B14R1.156 C#CCNC(=O)CSc1ccccc1 240690a_100000212058_100000211596 [0,0,0,0,0,0|2,0,2]=4 23 B14R1.156 C#CCNC(=O)CSc1ccccc1 527a_100000212058_100000211596 [0,0,0,0,0,0|2,0,2]=4 24 B14R1.156 C#CCNC(=O)NCc1ccccc1 2708a_100000212058_100015324214 [0,0,0,0,0,0|2,0,2]=4 25 B14R1.156 C#CCNC(=O)NCc1ccccc1 2708a_100015324214_100000212058 [0,0,0,0,0,0|2,0,2]=4 26 B14R1.156 C#CCNC(=O)NCc1ccccc1 273464a_100000212058_100015324214 [0,0,0,0,0,0|2,0,2]=4 27 B14R1.156 C#CCNC(=O)NCc1ccccc1 273464a_100015324214_100000212058 [0,0,0,0,0,0|2,0,2]=4 28 B14R1.156 C#CCNC(=O)NCc1ccccc1 512a_100000212058_100015324214 [0,0,0,0,0,0|2,0,2]=4 29 B14R1.156 C#CCNC(=O)NCc1ccccc1 512a_100015324214_100000212058 [0,0,0,0,0,0|2,0,2]=4 30 B14R1.156 C#CCNC(=O)NNc1ccccc1 273464a_100000212058_100015195140 [0,0,0,0,0,0|3,0,1]=4 31 B14R1.156 C#CCNC(=O)NNc1ccccc1 512a_100000212058_100015195140 [0,0,0,0,0,0|3,0,1]=4 32 B14R1.156 C/C=C/CC(=O)C=Cc1ccccc1 1458a_100000210462_100102629194 [0,0,0,0,0,0|2,0,2]=4 33 B14R1.156 C=CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000754431 [0,0,0,0,0,0|2,0,1]=3 34 B14R1.156 C=CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000754431 [0,0,0,0,0,0|3,0,1]=4 35 B14R1.156 C=CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000754431 [0,0,0,0,0,0|3,0,1]=4 36 B14R1.156 C=CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000754431 [0,0,0,0,0,0|3,0,1]=4 37 B14R1.156 C=CCNC(=O)C#Cc1ccccc1 240690a_100020586998_100000736102 [0,0,0,0,0,0|1,0,3]=4 38 B14R1.156 C=CCNC(=O)C=Cc1ccccc1 1626a_100020586998_100000210462 [0,0,0,0,0,0|1,0,1]=2 39 B14R1.156 C=CCNC(=O)C=Cc1ccccn1 240690a_100020586998_100000740811 [0,0,0,0,0,0|2,0,1]=3 40 B14R1.156 C=CCNC(=O)C=Cc1cccnc1 240690a_100020586998_100000735890 [0,0,0,0,0,0|2,0,1]=3 41 B14R1.156 C=CCNC(=O)C=Cc1ccncc1 240690a_100020586998_100000682801 [0,0,0,0,0,0|2,0,1]=3 42 B14R1.156 C=CCNC(=O)CCc1ccccc1 1626a_100020586998_100000185753 [0,0,0,0,0,0|1,0,3]=4 43 B14R1.156 C=CCNC(=O)CCc1ccccc1 240690a_100020586998_100000185753 [0,0,0,0,0,0|1,0,3]=4 44 B14R1.156 C=CCNC(=O)CCc1ccccc1 527a_100020586998_100000185753 [0,0,0,0,0,0|1,0,3]=4 45 B14R1.156 C=CCNC(=O)COc1ccccc1 1626a_100020586998_100000186222 [0,0,0,0,0,0|2,0,2]=4 46 B14R1.156 C=CCNC(=O)COc1ccccc1 240690a_100020586998_100000186222 [0,0,0,0,0,0|2,0,2]=4 47 B14R1.156 C=CCNC(=O)COc1ccccc1 527a_100020586998_100000186222 [0,0,0,0,0,0|2,0,2]=4 48 B14R1.156 C=CCNC(=O)COc1ccccc1 7a_100000210340_100000183597 [0,0,0,0,0,0|2,0,2]=4 49 B14R1.156 C=CCNC(=O)CSc1ccccc1 1626a_100020586998_100000211596 [0,0,0,0,0,0|2,0,2]=4 50 B14R1.156 C=CCNC(=O)CSc1ccccc1 240690a_100020586998_100000211596 [0,0,0,0,0,0|2,0,2]=4 51 B14R1.156 C=CCNC(=O)CSc1ccccc1 527a_100020586998_100000211596 [0,0,0,0,0,0|2,0,2]=4 52 B14R1.156 C=CCNC(=O)CSc1ccccc1 62a_100000183597_100000041952 [0,0,0,0,0,0|2,0,2]=4 53 B14R1.156 C=CCNC(=O)CSc1ccccc1 62a_100000719477_100000183597 [0,0,0,0,0,0|2,0,2]=4 54 B14R1.156 C=CCNC(=O)NCc1ccccc1 2708a_100015324214_100020586998 [0,0,0,0,0,0|2,0,2]=4 55 B14R1.156 C=CCNC(=O)NCc1ccccc1 273464a_100015324214_100020586998 [0,0,0,0,0,0|2,0,2]=4 56 B14R1.156 C=CCNC(=O)NCc1ccccc1 273464a_100020586998_100015324214 [0,0,0,0,0,0|2,0,2]=4 57 B14R1.156 C=CCNC(=O)NCc1ccccc1 512a_100015324214_100020586998 [0,0,0,0,0,0|2,0,2]=4 58 B14R1.156 C=CCNC(=O)NCc1ccccc1 512a_100020586998_100015324214 [0,0,0,0,0,0|2,0,2]=4 59 B14R1.156 C=CCNC(=O)NNc1ccccc1 273464a_100020586998_100015195140 [0,0,0,0,0,0|3,0,1]=4 60 B14R1.156 C=CCNC(=O)NNc1ccccc1 512a_100020586998_100015195140 [0,0,0,0,0,0|3,0,1]=4 61 B14R1.156 CC#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000748600 [0,0,0,0,0,0|2,0,2]=4 62 B14R1.156 CC(=NNc1ccccc1)CCCO 4a_100015195140_100000759063 [0,0,0,0,0,0|4,0,0]=4 63 B14R1.156 CC(CCc1ccccc1)NCCO 2230a_100000210798_100000211926 [0,0,0,0,0,0|1,0,3]=4 64 B14R1.156 CC(CCc1ccccc1)NCCO 270004a_100000210304_100000210092 [0,0,0,0,0,0|1,0,3]=4 65 B14R1.156 CC(CCc1ccccc1)NCCO 34a_100000210798_100000211926 [0,0,0,0,0,0|1,0,3]=4 66 B14R1.156 CC(COc1ccccc1)NCCO 2230a_100000746794_100000211926 [0,0,0,0,0,0|2,0,2]=4 67 B14R1.156 CC(COc1ccccc1)NCCO 270004a_100000210304_100000150576 [0,0,0,0,0,0|2,0,2]=4 68 B14R1.156 CC(COc1ccccc1)NCCO 34a_100000746794_100000211926 [0,0,0,0,0,0|2,0,2]=4 69 B14R1.156 CC(CSc1ccccc1)NCCO 270004a_100000210304_100000150717 [0,0,0,0,0,0|2,0,2]=4 70 B14R1.156 CC=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000070051 [0,0,0,0,0,0|2,0,2]=4 71 B14R1.156 CCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210211 [0,0,0,0,0,0|2,0,2]=4 72 B14R1.156 CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210211 [0,0,0,0,0,0|2,0,0]=2 73 B14R1.156 CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210211 [0,0,0,0,0,0|3,0,0]=3 74 B14R1.156 CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210211 [0,0,0,0,0,0|3,0,0]=3 75 B14R1.156 CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210211 [0,0,0,0,0,0|3,0,0]=3 76 B14R1.156 CCCCC(=O)C=Cc1cncnc1 6a_100000749868_100000032102 [0,0,0,0,0,0|4,0,0]=4 77 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210211 [0,0,0,0,0,0|2,0,2]=4 78 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000210183_100000765856 [0,0,0,0,0,0|2,0,2]=4 79 B14R1.156 CCCCC(=O)COc1ccccc1 1458a_100000186222_100000210211 [0,0,0,0,0,0|3,0,1]=4 80 B14R1.156 CCCCC(=O)CSc1ccccc1 1458a_100000211596_100000210211 [0,0,0,0,0,0|3,0,1]=4 81 B14R1.156 CCCCC(=O)NCc1ccccc1 11a_100015324214_100000210183 [0,0,0,0,0,0|3,0,1]=4 82 B14R1.156 CCCCC(=O)NCc1ccccc1 1626a_100015324214_100000210183 [0,0,0,0,0,0|3,0,1]=4 83 B14R1.156 CCCCC(=O)NCc1ccccc1 240690a_100015324214_100000210183 [0,0,0,0,0,0|3,0,1]=4 84 B14R1.156 CCCCC(=O)NCc1ccccc1 527a_100015324214_100000210183 [0,0,0,0,0,0|3,0,1]=4 85 B14R1.156 CCCCC(=O)NNc1ccccc1 22a_100015195140_100000210183 [0,0,0,0,0,0|4,0,0]=4 86 B14R1.156 CCCNC(=O)C#Cc1ccccc1 240690a_100020643023_100000736102 [0,0,0,0,0,0|1,0,2]=3 87 B14R1.156 CCCNC(=O)C=Cc1ccccc1 11a_100020643023_100000210462 [0,0,0,0,0,0|1,0,0]=1 88 B14R1.156 CCCNC(=O)C=Cc1ccccc1 1626a_100020643023_100000210462 [0,0,0,0,0,0|1,0,0]=1 89 B14R1.156 CCCNC(=O)C=Cc1ccccn1 11a_100020643023_100000740811 [0,0,0,0,0,0|2,0,0]=2 90 B14R1.156 CCCNC(=O)C=Cc1ccccn1 240690a_100020643023_100000740811 [0,0,0,0,0,0|2,0,0]=2 91 B14R1.156 CCCNC(=O)C=Cc1cccnc1 11a_100020643023_100000735890 [0,0,0,0,0,0|2,0,0]=2 92 B14R1.156 CCCNC(=O)C=Cc1cccnc1 240690a_100020643023_100000735890 [0,0,0,0,0,0|2,0,0]=2 93 B14R1.156 CCCNC(=O)C=Cc1ccncc1 240690a_100020643023_100000682801 [0,0,0,0,0,0|2,0,0]=2 94 B14R1.156 CCCNC(=O)CCc1ccccc1 11a_100020643023_100000185753 [0,0,0,0,0,0|1,0,2]=3 95 B14R1.156 CCCNC(=O)CCc1ccccc1 1626a_100020643023_100000185753 [0,0,0,0,0,0|1,0,2]=3 96 B14R1.156 CCCNC(=O)CCc1ccccc1 240690a_100020643023_100000185753 [0,0,0,0,0,0|1,0,2]=3 97 B14R1.156 CCCNC(=O)CCc1ccccc1 527a_100020643023_100000185753 [0,0,0,0,0,0|1,0,2]=3 98 B14R1.156 CCCNC(=O)CCc1ccccn1 11a_100020643023_100015195070 [0,0,0,0,0,0|2,0,2]=4 99 B14R1.156 CCCNC(=O)CCc1ccccn1 240690a_100020643023_100015195070 [0,0,0,0,0,0|2,0,2]=4 100 B14R1.156 CCCNC(=O)CCc1ccccn1 527a_100020643023_100015195070 [0,0,0,0,0,0|2,0,2]=4 101 B14R1.156 CCCNC(=O)CCc1cccnc1 11a_100020643023_100000198484 [0,0,0,0,0,0|2,0,2]=4 102 B14R1.156 CCCNC(=O)CCc1cccnc1 1626a_100020643023_100000198484 [0,0,0,0,0,0|2,0,2]=4 103 B14R1.156 CCCNC(=O)CCc1cccnc1 240690a_100020643023_100000198484 [0,0,0,0,0,0|2,0,2]=4 104 B14R1.156 CCCNC(=O)CCc1cccnc1 527a_100020643023_100000198484 [0,0,0,0,0,0|2,0,2]=4 105 B14R1.156 CCCNC(=O)CCc1ccncc1 11a_100020643023_100011225043 [0,0,0,0,0,0|2,0,2]=4 106 B14R1.156 CCCNC(=O)CCc1ccncc1 240690a_100020643023_100011225043 [0,0,0,0,0,0|2,0,2]=4 107 B14R1.156 CCCNC(=O)CCc1ccncc1 527a_100020643023_100011225043 [0,0,0,0,0,0|2,0,2]=4 108 B14R1.156 CCCNC(=O)CNc1ccccc1 34a_100000106764_100000183358 [0,0,0,0,0,0|2,0,1]=3 109 B14R1.156 CCCNC(=O)COc1ccccc1 11a_100020643023_100000186222 [0,0,0,0,0,0|2,0,1]=3 110 B14R1.156 CCCNC(=O)COc1ccccc1 1626a_100020643023_100000186222 [0,0,0,0,0,0|2,0,1]=3 111 B14R1.156 CCCNC(=O)COc1ccccc1 240690a_100020643023_100000186222 [0,0,0,0,0,0|2,0,1]=3 112 B14R1.156 CCCNC(=O)COc1ccccc1 34a_100000210340_100000183358 [0,0,0,0,0,0|2,0,1]=3 113 B14R1.156 CCCNC(=O)COc1ccccc1 527a_100020643023_100000186222 [0,0,0,0,0,0|2,0,1]=3 114 B14R1.156 CCCNC(=O)COc1ccccc1 7a_100000210340_100000183358 [0,0,0,0,0,0|2,0,1]=3 115 B14R1.156 CCCNC(=O)COc1ccccn1 1626a_100020643023_100102699861 [0,0,0,0,0,0|3,0,1]=4 116 B14R1.156 CCCNC(=O)COc1ccccn1 240690a_100020643023_100102699861 [0,0,0,0,0,0|3,0,1]=4 117 B14R1.156 CCCNC(=O)COc1ccccn1 527a_100020643023_100102699861 [0,0,0,0,0,0|3,0,1]=4 118 B14R1.156 CCCNC(=O)COc1cccnc1 11a_100020643023_100015207166 [0,0,0,0,0,0|3,0,1]=4 119 B14R1.156 CCCNC(=O)COc1cccnc1 1626a_100020643023_100015207166 [0,0,0,0,0,0|3,0,1]=4 120 B14R1.156 CCCNC(=O)COc1cccnc1 240690a_100020643023_100015207166 [0,0,0,0,0,0|3,0,1]=4 121 B14R1.156 CCCNC(=O)COc1cccnc1 34a_100000210849_100000183358 [0,0,0,0,0,0|3,0,1]=4 122 B14R1.156 CCCNC(=O)COc1cccnc1 527a_100020643023_100015207166 [0,0,0,0,0,0|3,0,1]=4 123 B14R1.156 CCCNC(=O)COc1cccnc1 7a_100000210849_100000183358 [0,0,0,0,0,0|3,0,1]=4 124 B14R1.156 CCCNC(=O)COc1ccncc1 34a_100000212176_100000183358 [0,0,0,0,0,0|3,0,1]=4 125 B14R1.156 CCCNC(=O)CSc1ccccc1 11a_100020643023_100000211596 [0,0,0,0,0,0|2,0,1]=3 126 B14R1.156 CCCNC(=O)CSc1ccccc1 1626a_100020643023_100000211596 [0,0,0,0,0,0|2,0,1]=3 127 B14R1.156 CCCNC(=O)CSc1ccccc1 240690a_100020643023_100000211596 [0,0,0,0,0,0|2,0,1]=3 128 B14R1.156 CCCNC(=O)CSc1ccccc1 527a_100020643023_100000211596 [0,0,0,0,0,0|2,0,1]=3 129 B14R1.156 CCCNC(=O)CSc1ccccc1 62a_100000183358_100000041952 [0,0,0,0,0,0|2,0,1]=3 130 B14R1.156 CCCNC(=O)CSc1ccccc1 62a_100000719477_100000183358 [0,0,0,0,0,0|2,0,1]=3 131 B14R1.156 CCCNC(=O)CSc1ccccn1 11a_100020643023_100000156281 [0,0,0,0,0,0|3,0,1]=4 132 B14R1.156 CCCNC(=O)CSc1ccccn1 240690a_100020643023_100000156281 [0,0,0,0,0,0|3,0,1]=4 133 B14R1.156 CCCNC(=O)CSc1ccccn1 527a_100020643023_100000156281 [0,0,0,0,0,0|3,0,1]=4 134 B14R1.156 CCCNC(=O)CSc1ccccn1 62a_100000183358_100011216584 [0,0,0,0,0,0|3,0,1]=4 135 B14R1.156 CCCNC(=O)CSc1ccccn1 62a_100011216584_100000183358 [0,0,0,0,0,0|3,0,1]=4 136 B14R1.156 CCCNC(=O)CSc1cccnc1 62a_100000183358_100000210063 [0,0,0,0,0,0|3,0,1]=4 137 B14R1.156 CCCNC(=O)CSc1cccnc1 62a_100000210063_100000183358 [0,0,0,0,0,0|3,0,1]=4 138 B14R1.156 CCCNC(=O)CSc1ccncc1 11a_100020643023_100000211328 [0,0,0,0,0,0|3,0,1]=4 139 B14R1.156 CCCNC(=O)CSc1ccncc1 1626a_100020643023_100000211328 [0,0,0,0,0,0|3,0,1]=4 140 B14R1.156 CCCNC(=O)CSc1ccncc1 240690a_100020643023_100000211328 [0,0,0,0,0,0|3,0,1]=4 141 B14R1.156 CCCNC(=O)CSc1ccncc1 527a_100020643023_100000211328 [0,0,0,0,0,0|3,0,1]=4 142 B14R1.156 CCCNC(=O)CSc1ccncc1 62a_100000183358_100000728582 [0,0,0,0,0,0|3,0,1]=4 143 B14R1.156 CCCNC(=O)CSc1ccncc1 62a_100000728582_100000183358 [0,0,0,0,0,0|3,0,1]=4 144 B14R1.156 CCCNC(=O)NCc1ccccc1 2708a_100015324214_100020643023 [0,0,0,0,0,0|2,0,1]=3 145 B14R1.156 CCCNC(=O)NCc1ccccc1 2708a_100020643023_100015324214 [0,0,0,0,0,0|2,0,1]=3 146 B14R1.156 CCCNC(=O)NCc1ccccc1 273464a_100015324214_100020643023 [0,0,0,0,0,0|2,0,1]=3 147 B14R1.156 CCCNC(=O)NCc1ccccc1 273464a_100020643023_100015324214 [0,0,0,0,0,0|2,0,1]=3 148 B14R1.156 CCCNC(=O)NCc1ccccc1 512a_100015324214_100020643023 [0,0,0,0,0,0|2,0,1]=3 149 B14R1.156 CCCNC(=O)NCc1ccccc1 512a_100020643023_100015324214 [0,0,0,0,0,0|2,0,1]=3 150 B14R1.156 CCCNC(=O)NCc1ccccn1 2708a_100000210449_100020643023 [0,0,0,0,0,0|3,0,1]=4 151 B14R1.156 CCCNC(=O)NCc1ccccn1 2708a_100020643023_100000210449 [0,0,0,0,0,0|3,0,1]=4 152 B14R1.156 CCCNC(=O)NCc1ccccn1 273464a_100000210449_100020643023 [0,0,0,0,0,0|3,0,1]=4 153 B14R1.156 CCCNC(=O)NCc1ccccn1 273464a_100020643023_100000210449 [0,0,0,0,0,0|3,0,1]=4 154 B14R1.156 CCCNC(=O)NCc1ccccn1 512a_100020643023_100000210449 [0,0,0,0,0,0|3,0,1]=4 155 B14R1.156 CCCNC(=O)NCc1cccnc1 2708a_100000210453_100020643023 [0,0,0,0,0,0|3,0,1]=4 156 B14R1.156 CCCNC(=O)NCc1cccnc1 2708a_100020643023_100000210453 [0,0,0,0,0,0|3,0,1]=4 157 B14R1.156 CCCNC(=O)NCc1cccnc1 273464a_100000210453_100020643023 [0,0,0,0,0,0|3,0,1]=4 158 B14R1.156 CCCNC(=O)NCc1cccnc1 273464a_100020643023_100000210453 [0,0,0,0,0,0|3,0,1]=4 159 B14R1.156 CCCNC(=O)NCc1cccnc1 512a_100000210453_100020643023 [0,0,0,0,0,0|3,0,1]=4 160 B14R1.156 CCCNC(=O)NCc1cccnc1 512a_100020643023_100000210453 [0,0,0,0,0,0|3,0,1]=4 161 B14R1.156 CCCNC(=O)NCc1ccncc1 2708a_100000210450_100020643023 [0,0,0,0,0,0|3,0,1]=4 162 B14R1.156 CCCNC(=O)NCc1ccncc1 2708a_100020643023_100000210450 [0,0,0,0,0,0|3,0,1]=4 163 B14R1.156 CCCNC(=O)NCc1ccncc1 273464a_100000210450_100020643023 [0,0,0,0,0,0|3,0,1]=4 164 B14R1.156 CCCNC(=O)NCc1ccncc1 273464a_100020643023_100000210450 [0,0,0,0,0,0|3,0,1]=4 165 B14R1.156 CCCNC(=O)NCc1ccncc1 512a_100020643023_100000210450 [0,0,0,0,0,0|3,0,1]=4 166 B14R1.156 CCCNC(=O)NNc1ccccc1 273464a_100020643023_100015195140 [0,0,0,0,0,0|3,0,0]=3 167 B14R1.156 CCCNC(=O)NNc1ccccc1 512a_100020643023_100015195140 [0,0,0,0,0,0|3,0,0]=3 168 B14R1.156 CCCNC(=O)NNc1ccccn1 273464a_100020643023_100000183288 [0,0,0,0,0,0|4,0,0]=4 169 B14R1.156 CCCNC(=O)NNc1ccccn1 512a_100020643023_100000183288 [0,0,0,0,0,0|4,0,0]=4 170 B14R1.156 CCCNC(=O)NNc1cccnc1 273464a_100020643023_100000728903 [0,0,0,0,0,0|4,0,0]=4 171 B14R1.156 CCCNC(=O)NNc1cccnc1 512a_100020643023_100000728903 [0,0,0,0,0,0|4,0,0]=4 172 B14R1.156 CCCNC(=O)NNc1ccncc1 273464a_100020643023_100000698918 [0,0,0,0,0,0|4,0,0]=4 173 B14R1.156 CCCNC(=O)NNc1ccncc1 512a_100020643023_100000698918 [0,0,0,0,0,0|4,0,0]=4 174 B14R1.156 CCCOC(=O)CNc1ccccc1 34a_100000106764_200011215008 [0,0,0,0,0,0|3,0,1]=4 175 B14R1.156 CCCOC(=O)COc1ccccc1 34a_100000210340_200011215008 [0,0,0,0,0,0|3,0,1]=4 176 B14R1.156 CCCOC(=O)COc1ccccc1 7a_100000210340_200011215008 [0,0,0,0,0,0|3,0,1]=4 177 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_100000719477_200011215008 [0,0,0,0,0,0|3,0,1]=4 178 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_200011215008_100000041952 [0,0,0,0,0,0|3,0,1]=4 179 B14R1.156 CCNN=C(C)C=Cc1ccccc1 4a_100000756455_100000204604 [0,0,0,0,0,0|3,0,1]=4 180 B14R1.156 CCNNC(=O)C#Cc1ccccc1 22a_100000756455_100000736102 [0,0,0,0,0,0|2,0,2]=4 181 B14R1.156 CCNNC(=O)C=Cc1ccccc1 22a_100000756455_100000210462 [0,0,0,0,0,0|2,0,0]=2 182 B14R1.156 CCNNC(=O)C=Cc1ccccn1 22a_100000756455_100000740811 [0,0,0,0,0,0|3,0,0]=3 183 B14R1.156 CCNNC(=O)C=Cc1cccnc1 22a_100000756455_100000735890 [0,0,0,0,0,0|3,0,0]=3 184 B14R1.156 CCNNC(=O)C=Cc1ccncc1 22a_100000756455_100000682801 [0,0,0,0,0,0|3,0,0]=3 185 B14R1.156 CCNNC(=O)CCc1ccccc1 22a_100000756455_100000185753 [0,0,0,0,0,0|2,0,2]=4 186 B14R1.156 CCNNC(=O)COc1ccccc1 22a_100000756455_100000186222 [0,0,0,0,0,0|3,0,1]=4 187 B14R1.156 CCNNC(=O)CSc1ccccc1 22a_100000756455_100000211596 [0,0,0,0,0,0|3,0,1]=4 188 B14R1.156 CCNNC(=O)NCc1ccccc1 273464a_100015324214_100000756455 [0,0,0,0,0,0|3,0,1]=4 189 B14R1.156 CCNNC(=O)NCc1ccccc1 512a_100000756455_100015324214 [0,0,0,0,0,0|3,0,1]=4 190 B14R1.156 CCNNC(=O)NCc1ccccc1 512a_100015324214_100000756455 [0,0,0,0,0,0|3,0,1]=4 191 B14R1.156 CCNNC(=O)NNc1ccccc1 512a_100000756455_100015195140 [0,0,0,0,0,0|4,0,0]=4 192 B14R1.156 COCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000233755 [0,0,0,0,0,0|3,0,0]=3 193 B14R1.156 COCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000233755 [0,0,0,0,0,0|4,0,0]=4 194 B14R1.156 COCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000233755 [0,0,0,0,0,0|4,0,0]=4 195 B14R1.156 COCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000233755 [0,0,0,0,0,0|4,0,0]=4 196 B14R1.156 CSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000751147 [0,0,0,0,0,0|3,0,0]=3 197 B14R1.156 CSCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000751147 [0,0,0,0,0,0|4,0,0]=4 198 B14R1.156 CSCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000751147 [0,0,0,0,0,0|4,0,0]=4 199 B14R1.156 CSCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000751147 [0,0,0,0,0,0|4,0,0]=4 200 B14R1.156 N#CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215226 [0,0,0,0,0,0|2,0,1]=3 201 B14R1.156 N#CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215226 [0,0,0,0,0,0|3,0,1]=4 202 B14R1.156 N#CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215226 [0,0,0,0,0,0|3,0,1]=4 203 B14R1.156 N#CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215226 [0,0,0,0,0,0|3,0,1]=4 204 B14R1.156 N#CCNC(=O)C=Cc1ccccc1 1626a_100000734998_100000210462 [0,0,0,0,0,0|1,0,1]=2 205 B14R1.156 N#CCNC(=O)CCc1ccccc1 1626a_100000734998_100000185753 [0,0,0,0,0,0|1,0,3]=4 206 B14R1.156 N#CCNC(=O)CCc1ccccc1 527a_100000734998_100000185753 [0,0,0,0,0,0|1,0,3]=4 207 B14R1.156 N#CCNC(=O)COc1ccccc1 1626a_100000734998_100000186222 [0,0,0,0,0,0|2,0,2]=4 208 B14R1.156 N#CCNC(=O)COc1ccccc1 527a_100000734998_100000186222 [0,0,0,0,0,0|2,0,2]=4 209 B14R1.156 N#CCNC(=O)COc1ccccc1 7a_100000210340_100000736037 [0,0,0,0,0,0|2,0,2]=4 210 B14R1.156 N#CCNC(=O)CSc1ccccc1 1626a_100000734998_100000211596 [0,0,0,0,0,0|2,0,2]=4 211 B14R1.156 N#CCNC(=O)CSc1ccccc1 527a_100000734998_100000211596 [0,0,0,0,0,0|2,0,2]=4 212 B14R1.156 N#CCNC(=O)CSc1ccccc1 62a_100000719477_100000736037 [0,0,0,0,0,0|2,0,2]=4 213 B14R1.156 N#CCNC(=O)CSc1ccccc1 62a_100000736037_100000041952 [0,0,0,0,0,0|2,0,2]=4 214 B14R1.156 N#CCNC(=O)NCc1ccccc1 2708a_100000734998_100015324214 [0,0,0,0,0,0|2,0,2]=4 215 B14R1.156 N#CCNC(=O)NCc1ccccc1 273464a_100000734998_100015324214 [0,0,0,0,0,0|2,0,2]=4 216 B14R1.156 N#CCNC(=O)NCc1ccccc1 273464a_100015324214_100000734998 [0,0,0,0,0,0|2,0,2]=4 217 B14R1.156 N#CCNC(=O)NCc1ccccc1 512a_100000734998_100015324214 [0,0,0,0,0,0|2,0,2]=4 218 B14R1.156 N#CCNC(=O)NCc1ccccc1 512a_100015324214_100000734998 [0,0,0,0,0,0|2,0,2]=4 219 B14R1.156 N#CCNC(=O)NNc1ccccc1 273464a_100000734998_100015195140 [0,0,0,0,0,0|3,0,1]=4 220 B14R1.156 N#CCNC(=O)NNc1ccccc1 512a_100000734998_100015195140 [0,0,0,0,0,0|3,0,1]=4 221 B14R1.156 O=C(C#CCO)CCc1ccccc1 1458a_100000049017_100000765856 [0,0,0,0,0,0|1,0,3]=4 222 B14R1.156 O=C(C#Cc1ccccc1)CCCF 1458a_100000736102_100011934791 [0,0,0,0,0,0|2,0,2]=4 223 B14R1.156 O=C(C#Cc1ccccc1)CCCO 1458a_100000736102_100011215043 [0,0,0,0,0,0|1,0,2]=3 224 B14R1.156 O=C(C#Cc1ccccc1)NCCF 240690a_100000724931_100000736102 [0,0,0,0,0,0|1,0,2]=3 225 B14R1.156 O=C(C#Cc1ccccc1)NCCO 240690a_100000210304_100000736102 [0,0,0,0,0,0|0,0,2]=2 226 B14R1.156 O=C(C#Cc1ccccn1)CCCO 1458a_102125277312_100011215043 [0,0,0,0,0,0|2,0,2]=4 227 B14R1.156 O=C(C=CC1=CCCCC1)NCCO 240690a_100000210304_100016289660 [0,0,0,0,0,0|0,0,4]=4 228 B14R1.156 O=C(C=Cc1ccccc1)CCCF 1458a_100000210462_100011934791 [0,0,0,0,0,0|2,0,0]=2 229 B14R1.156 O=C(C=Cc1ccccc1)CCCO 1458a_100000210462_100011215043 [0,0,0,0,0,0|1,0,0]=1 230 B14R1.156 O=C(C=Cc1ccccc1)NCCF 11a_100000724931_100000210462 [0,0,0,0,0,0|1,0,0]=1 231 B14R1.156 O=C(C=Cc1ccccc1)NCCF 1626a_100000724931_100000210462 [0,0,0,0,0,0|1,0,0]=1 232 B14R1.156 O=C(C=Cc1ccccn1)CCCF 1458a_100000740811_100011934791 [0,0,0,0,0,0|3,0,0]=3 233 B14R1.156 O=C(C=Cc1ccccn1)CCCO 1458a_100000740811_100011215043 [0,0,0,0,0,0|2,0,0]=2 234 B14R1.156 O=C(C=Cc1ccccn1)NCCF 11a_100000724931_100000740811 [0,0,0,0,0,0|2,0,0]=2 235 B14R1.156 O=C(C=Cc1ccccn1)NCCF 240690a_100000724931_100000740811 [0,0,0,0,0,0|2,0,0]=2 236 B14R1.156 O=C(C=Cc1ccccn1)NCCO 240690a_100000210304_100000740811 [0,0,0,0,0,0|1,0,0]=1 237 B14R1.156 O=C(C=Cc1cccnc1)CCCF 1458a_100000735890_100011934791 [0,0,0,0,0,0|3,0,0]=3 238 B14R1.156 O=C(C=Cc1cccnc1)CCCO 1458a_100000735890_100011215043 [0,0,0,0,0,0|2,0,0]=2 239 B14R1.156 O=C(C=Cc1cccnc1)NCCF 11a_100000724931_100000735890 [0,0,0,0,0,0|2,0,0]=2 240 B14R1.156 O=C(C=Cc1cccnc1)NCCF 240690a_100000724931_100000735890 [0,0,0,0,0,0|2,0,0]=2 241 B14R1.156 O=C(C=Cc1cccnc1)NCCO 240690a_100000210304_100000735890 [0,0,0,0,0,0|1,0,0]=1 242 B14R1.156 O=C(C=Cc1ccncc1)CCCF 1458a_100000682801_100011934791 [0,0,0,0,0,0|3,0,0]=3 243 B14R1.156 O=C(C=Cc1ccncc1)CCCO 1458a_100000682801_100011215043 [0,0,0,0,0,0|2,0,0]=2 244 B14R1.156 O=C(C=Cc1ccncc1)NCCF 240690a_100000724931_100000682801 [0,0,0,0,0,0|2,0,0]=2 245 B14R1.156 O=C(C=Cc1ccncc1)NCCO 240690a_100000210304_100000682801 [0,0,0,0,0,0|1,0,0]=1 246 B14R1.156 O=C(C=Cc1cncnc1)CCCBr 6a_100000749868_100000685027 [0,0,0,0,0,0|4,0,0]=4 247 B14R1.156 O=C(C=Cc1cncnc1)CCCCl 6a_100000749868_100011215641 [0,0,0,0,0,0|4,0,0]=4 248 B14R1.156 O=C(CCCF)CCc1ccccc1 1458a_100000185753_100011934791 [0,0,0,0,0,0|2,0,2]=4 249 B14R1.156 O=C(CCCF)COc1ccccc1 1458a_100000186222_100011934791 [0,0,0,0,0,0|3,0,1]=4 250 B14R1.156 O=C(CCCF)CSc1ccccc1 1458a_100000211596_100011934791 [0,0,0,0,0,0|3,0,1]=4 251 B14R1.156 O=C(CCCO)CCc1ccccc1 1458a_100000185753_100011215043 [0,0,0,0,0,0|1,0,2]=3 252 B14R1.156 O=C(CCCO)CCc1ccccn1 1458a_100015195070_100011215043 [0,0,0,0,0,0|2,0,2]=4 253 B14R1.156 O=C(CCCO)CCc1cccnc1 1458a_100000198484_100011215043 [0,0,0,0,0,0|2,0,2]=4 254 B14R1.156 O=C(CCCO)CCc1ccncc1 1458a_100011225043_100011215043 [0,0,0,0,0,0|2,0,2]=4 255 B14R1.156 O=C(CCCO)COc1ccccc1 1458a_100000186222_100011215043 [0,0,0,0,0,0|2,0,1]=3 256 B14R1.156 O=C(CCCO)COc1ccccn1 1458a_100102699861_100011215043 [0,0,0,0,0,0|3,0,1]=4 257 B14R1.156 O=C(CCCO)COc1cccnc1 1458a_100015207166_100011215043 [0,0,0,0,0,0|3,0,1]=4 258 B14R1.156 O=C(CCCO)CSc1ccccc1 1458a_100000211596_100011215043 [0,0,0,0,0,0|2,0,1]=3 259 B14R1.156 O=C(CCCO)CSc1ccccn1 1458a_100000156281_100011215043 [0,0,0,0,0,0|3,0,1]=4 260 B14R1.156 O=C(CCCO)CSc1ccncc1 1458a_100000211328_100011215043 [0,0,0,0,0,0|3,0,1]=4 261 B14R1.156 O=C(CCc1ccccc1)NCCF 11a_100000724931_100000185753 [0,0,0,0,0,0|1,0,2]=3 262 B14R1.156 O=C(CCc1ccccc1)NCCF 1626a_100000724931_100000185753 [0,0,0,0,0,0|1,0,2]=3 263 B14R1.156 O=C(CCc1ccccc1)NCCF 240690a_100000724931_100000185753 [0,0,0,0,0,0|1,0,2]=3 264 B14R1.156 O=C(CCc1ccccc1)NCCF 527a_100000724931_100000185753 [0,0,0,0,0,0|1,0,2]=3 265 B14R1.156 O=C(CCc1ccccc1)NCCO 240690a_100000210304_100000185753 [0,0,0,0,0,0|0,0,2]=2 266 B14R1.156 O=C(CCc1ccccc1)NCCO 527a_100000210304_100000185753 [0,0,0,0,0,0|0,0,2]=2 267 B14R1.156 O=C(CCc1ccccn1)NCCF 11a_100000724931_100015195070 [0,0,0,0,0,0|2,0,2]=4 268 B14R1.156 O=C(CCc1ccccn1)NCCF 240690a_100000724931_100015195070 [0,0,0,0,0,0|2,0,2]=4 269 B14R1.156 O=C(CCc1ccccn1)NCCF 527a_100000724931_100015195070 [0,0,0,0,0,0|2,0,2]=4 270 B14R1.156 O=C(CCc1ccccn1)NCCO 240690a_100000210304_100015195070 [0,0,0,0,0,0|1,0,2]=3 271 B14R1.156 O=C(CCc1ccccn1)NCCO 527a_100000210304_100015195070 [0,0,0,0,0,0|1,0,2]=3 272 B14R1.156 O=C(CCc1cccnc1)NCCF 11a_100000724931_100000198484 [0,0,0,0,0,0|2,0,2]=4 273 B14R1.156 O=C(CCc1cccnc1)NCCF 1626a_100000724931_100000198484 [0,0,0,0,0,0|2,0,2]=4 274 B14R1.156 O=C(CCc1cccnc1)NCCF 240690a_100000724931_100000198484 [0,0,0,0,0,0|2,0,2]=4 275 B14R1.156 O=C(CCc1cccnc1)NCCF 527a_100000724931_100000198484 [0,0,0,0,0,0|2,0,2]=4 276 B14R1.156 O=C(CCc1cccnc1)NCCO 240690a_100000210304_100000198484 [0,0,0,0,0,0|1,0,2]=3 277 B14R1.156 O=C(CCc1cccnc1)NCCO 527a_100000210304_100000198484 [0,0,0,0,0,0|1,0,2]=3 278 B14R1.156 O=C(CCc1ccncc1)NCCF 11a_100000724931_100011225043 [0,0,0,0,0,0|2,0,2]=4 279 B14R1.156 O=C(CCc1ccncc1)NCCF 240690a_100000724931_100011225043 [0,0,0,0,0,0|2,0,2]=4 280 B14R1.156 O=C(CCc1ccncc1)NCCF 527a_100000724931_100011225043 [0,0,0,0,0,0|2,0,2]=4 281 B14R1.156 O=C(CCc1ccncc1)NCCO 240690a_100000210304_100011225043 [0,0,0,0,0,0|1,0,2]=3 282 B14R1.156 O=C(CCc1ccncc1)NCCO 527a_100000210304_100011225043 [0,0,0,0,0,0|1,0,2]=3 283 B14R1.156 O=C(COc1ccccc1)NCCF 11a_100000724931_100000186222 [0,0,0,0,0,0|2,0,1]=3 284 B14R1.156 O=C(COc1ccccc1)NCCF 1626a_100000724931_100000186222 [0,0,0,0,0,0|2,0,1]=3 285 B14R1.156 O=C(COc1ccccc1)NCCF 240690a_100000724931_100000186222 [0,0,0,0,0,0|2,0,1]=3 286 B14R1.156 O=C(COc1ccccc1)NCCF 527a_100000724931_100000186222 [0,0,0,0,0,0|2,0,1]=3 287 B14R1.156 O=C(COc1ccccc1)NCCO 240690a_100000210304_100000186222 [0,0,0,0,0,0|1,0,1]=2 288 B14R1.156 O=C(COc1ccccc1)NCCO 527a_100000210304_100000186222 [0,0,0,0,0,0|1,0,1]=2 289 B14R1.156 O=C(COc1ccccn1)NCCF 1626a_100000724931_100102699861 [0,0,0,0,0,0|3,0,1]=4 290 B14R1.156 O=C(COc1ccccn1)NCCF 240690a_100000724931_100102699861 [0,0,0,0,0,0|3,0,1]=4 291 B14R1.156 O=C(COc1ccccn1)NCCF 527a_100000724931_100102699861 [0,0,0,0,0,0|3,0,1]=4 292 B14R1.156 O=C(COc1ccccn1)NCCO 240690a_100000210304_100102699861 [0,0,0,0,0,0|2,0,1]=3 293 B14R1.156 O=C(COc1ccccn1)NCCO 527a_100000210304_100102699861 [0,0,0,0,0,0|2,0,1]=3 294 B14R1.156 O=C(COc1cccnc1)NCCF 11a_100000724931_100015207166 [0,0,0,0,0,0|3,0,1]=4 295 B14R1.156 O=C(COc1cccnc1)NCCF 1626a_100000724931_100015207166 [0,0,0,0,0,0|3,0,1]=4 296 B14R1.156 O=C(COc1cccnc1)NCCF 240690a_100000724931_100015207166 [0,0,0,0,0,0|3,0,1]=4 297 B14R1.156 O=C(COc1cccnc1)NCCF 527a_100000724931_100015207166 [0,0,0,0,0,0|3,0,1]=4 298 B14R1.156 O=C(COc1cccnc1)NCCO 240690a_100000210304_100015207166 [0,0,0,0,0,0|2,0,1]=3 299 B14R1.156 O=C(COc1cccnc1)NCCO 527a_100000210304_100015207166 [0,0,0,0,0,0|2,0,1]=3 300 B14R1.156 O=C(CSc1ccccc1)NCCF 11a_100000724931_100000211596 [0,0,0,0,0,0|2,0,1]=3 301 B14R1.156 O=C(CSc1ccccc1)NCCF 1626a_100000724931_100000211596 [0,0,0,0,0,0|2,0,1]=3 302 B14R1.156 O=C(CSc1ccccc1)NCCF 240690a_100000724931_100000211596 [0,0,0,0,0,0|2,0,1]=3 303 B14R1.156 O=C(CSc1ccccc1)NCCF 527a_100000724931_100000211596 [0,0,0,0,0,0|2,0,1]=3 304 B14R1.156 O=C(CSc1ccccc1)NCCO 240690a_100000210304_100000211596 [0,0,0,0,0,0|1,0,1]=2 305 B14R1.156 O=C(CSc1ccccc1)NCCO 527a_100000210304_100000211596 [0,0,0,0,0,0|1,0,1]=2 306 B14R1.156 O=C(CSc1ccccn1)NCCF 11a_100000724931_100000156281 [0,0,0,0,0,0|3,0,1]=4 307 B14R1.156 O=C(CSc1ccccn1)NCCF 240690a_100000724931_100000156281 [0,0,0,0,0,0|3,0,1]=4 308 B14R1.156 O=C(CSc1ccccn1)NCCF 527a_100000724931_100000156281 [0,0,0,0,0,0|3,0,1]=4 309 B14R1.156 O=C(CSc1ccccn1)NCCO 240690a_100000210304_100000156281 [0,0,0,0,0,0|2,0,1]=3 310 B14R1.156 O=C(CSc1ccccn1)NCCO 527a_100000210304_100000156281 [0,0,0,0,0,0|2,0,1]=3 311 B14R1.156 O=C(CSc1ccncc1)NCCF 11a_100000724931_100000211328 [0,0,0,0,0,0|3,0,1]=4 312 B14R1.156 O=C(CSc1ccncc1)NCCF 1626a_100000724931_100000211328 [0,0,0,0,0,0|3,0,1]=4 313 B14R1.156 O=C(CSc1ccncc1)NCCF 240690a_100000724931_100000211328 [0,0,0,0,0,0|3,0,1]=4 314 B14R1.156 O=C(CSc1ccncc1)NCCF 527a_100000724931_100000211328 [0,0,0,0,0,0|3,0,1]=4 315 B14R1.156 O=C(CSc1ccncc1)NCCO 240690a_100000210304_100000211328 [0,0,0,0,0,0|2,0,1]=3 316 B14R1.156 O=C(CSc1ccncc1)NCCO 527a_100000210304_100000211328 [0,0,0,0,0,0|2,0,1]=3 317 B14R1.156 O=C(CSc1ncccn1)NCCO 240690a_100000210304_200000156282 [0,0,0,0,0,0|3,0,1]=4 318 B14R1.156 O=C(NCCF)NCc1ccccc1 2708a_100015324214_100000724931 [0,0,0,0,0,0|2,0,1]=3 319 B14R1.156 O=C(NCCF)NCc1ccccc1 273464a_100000724931_100015324214 [0,0,0,0,0,0|2,0,1]=3 320 B14R1.156 O=C(NCCF)NCc1ccccc1 273464a_100015324214_100000724931 [0,0,0,0,0,0|2,0,1]=3 321 B14R1.156 O=C(NCCF)NCc1ccccc1 512a_100015324214_100000724931 [0,0,0,0,0,0|2,0,1]=3 322 B14R1.156 O=C(NCCF)NCc1ccccn1 2708a_100000210449_100000724931 [0,0,0,0,0,0|3,0,1]=4 323 B14R1.156 O=C(NCCF)NCc1ccccn1 273464a_100000210449_100000724931 [0,0,0,0,0,0|3,0,1]=4 324 B14R1.156 O=C(NCCF)NCc1ccccn1 273464a_100000724931_100000210449 [0,0,0,0,0,0|3,0,1]=4 325 B14R1.156 O=C(NCCF)NCc1cccnc1 2708a_100000210453_100000724931 [0,0,0,0,0,0|3,0,1]=4 326 B14R1.156 O=C(NCCF)NCc1cccnc1 273464a_100000210453_100000724931 [0,0,0,0,0,0|3,0,1]=4 327 B14R1.156 O=C(NCCF)NCc1cccnc1 273464a_100000724931_100000210453 [0,0,0,0,0,0|3,0,1]=4 328 B14R1.156 O=C(NCCF)NCc1cccnc1 512a_100000210453_100000724931 [0,0,0,0,0,0|3,0,1]=4 329 B14R1.156 O=C(NCCF)NCc1ccncc1 2708a_100000210450_100000724931 [0,0,0,0,0,0|3,0,1]=4 330 B14R1.156 O=C(NCCF)NCc1ccncc1 273464a_100000210450_100000724931 [0,0,0,0,0,0|3,0,1]=4 331 B14R1.156 O=C(NCCF)NCc1ccncc1 273464a_100000724931_100000210450 [0,0,0,0,0,0|3,0,1]=4 332 B14R1.156 O=C(NCCF)NNc1ccccc1 273464a_100000724931_100015195140 [0,0,0,0,0,0|3,0,0]=3 333 B14R1.156 O=C(NCCF)NNc1ccccn1 273464a_100000724931_100000183288 [0,0,0,0,0,0|4,0,0]=4 334 B14R1.156 O=C(NCCF)NNc1cccnc1 273464a_100000724931_100000728903 [0,0,0,0,0,0|4,0,0]=4 335 B14R1.156 O=C(NCCF)NNc1ccncc1 273464a_100000724931_100000698918 [0,0,0,0,0,0|4,0,0]=4 336 B14R1.156 O=C(NCCO)NCc1ccccc1 2708a_100015324214_100000210304 [0,0,0,0,0,0|1,0,1]=2 337 B14R1.156 O=C(NCCO)NCc1ccccc1 273464a_100000210304_100015324214 [0,0,0,0,0,0|1,0,1]=2 338 B14R1.156 O=C(NCCO)NCc1ccccc1 273464a_100015324214_100000210304 [0,0,0,0,0,0|1,0,1]=2 339 B14R1.156 O=C(NCCO)NCc1ccccc1 512a_100015324214_100000210304 [0,0,0,0,0,0|1,0,1]=2 340 B14R1.156 O=C(NCCO)NCc1ccccn1 2708a_100000210449_100000210304 [0,0,0,0,0,0|2,0,1]=3 341 B14R1.156 O=C(NCCO)NCc1ccccn1 273464a_100000210304_100000210449 [0,0,0,0,0,0|2,0,1]=3 342 B14R1.156 O=C(NCCO)NCc1ccccn1 273464a_100000210449_100000210304 [0,0,0,0,0,0|2,0,1]=3 343 B14R1.156 O=C(NCCO)NCc1cccnc1 2708a_100000210453_100000210304 [0,0,0,0,0,0|2,0,1]=3 344 B14R1.156 O=C(NCCO)NCc1cccnc1 273464a_100000210304_100000210453 [0,0,0,0,0,0|2,0,1]=3 345 B14R1.156 O=C(NCCO)NCc1cccnc1 273464a_100000210453_100000210304 [0,0,0,0,0,0|2,0,1]=3 346 B14R1.156 O=C(NCCO)NCc1cccnc1 512a_100000210453_100000210304 [0,0,0,0,0,0|2,0,1]=3 347 B14R1.156 O=C(NCCO)NCc1cccnn1 2708a_100159270163_100000210304 [0,0,0,0,0,0|3,0,1]=4 348 B14R1.156 O=C(NCCO)NCc1cccnn1 273464a_100000210304_100159270163 [0,0,0,0,0,0|3,0,1]=4 349 B14R1.156 O=C(NCCO)NCc1cccnn1 273464a_100159270163_100000210304 [0,0,0,0,0,0|3,0,1]=4 350 B14R1.156 O=C(NCCO)NCc1cccnn1 512a_100159270163_100000210304 [0,0,0,0,0,0|3,0,1]=4 351 B14R1.156 O=C(NCCO)NCc1ccncc1 2708a_100000210450_100000210304 [0,0,0,0,0,0|2,0,1]=3 352 B14R1.156 O=C(NCCO)NCc1ccncc1 273464a_100000210304_100000210450 [0,0,0,0,0,0|2,0,1]=3 353 B14R1.156 O=C(NCCO)NCc1ccncc1 273464a_100000210450_100000210304 [0,0,0,0,0,0|2,0,1]=3 354 B14R1.156 O=C(NCCO)NCc1ccncn1 273464a_100000210304_100000736019 [0,0,0,0,0,0|3,0,1]=4 355 B14R1.156 O=C(NCCO)NCc1ccncn1 512a_100000736019_100000210304 [0,0,0,0,0,0|3,0,1]=4 356 B14R1.156 O=C(NCCO)NCc1cnccn1 2708a_100000737960_100000210304 [0,0,0,0,0,0|3,0,1]=4 357 B14R1.156 O=C(NCCO)NCc1cnccn1 273464a_100000210304_100000737960 [0,0,0,0,0,0|3,0,1]=4 358 B14R1.156 O=C(NCCO)NCc1cnccn1 273464a_100000737960_100000210304 [0,0,0,0,0,0|3,0,1]=4 359 B14R1.156 O=C(NCCO)NCc1cnccn1 512a_100000737960_100000210304 [0,0,0,0,0,0|3,0,1]=4 360 B14R1.156 O=C(NCCO)NCc1cncnc1 2708a_100011243677_100000210304 [0,0,0,0,0,0|3,0,1]=4 361 B14R1.156 O=C(NCCO)NCc1cncnc1 273464a_100000210304_100011243677 [0,0,0,0,0,0|3,0,1]=4 362 B14R1.156 O=C(NCCO)NCc1cncnc1 273464a_100011243677_100000210304 [0,0,0,0,0,0|3,0,1]=4 363 B14R1.156 O=C(NCCO)NCc1cncnc1 512a_100011243677_100000210304 [0,0,0,0,0,0|3,0,1]=4 364 B14R1.156 O=C(NCCO)NCc1ncccn1 2708a_100015189908_100000210304 [0,0,0,0,0,0|3,0,1]=4 365 B14R1.156 O=C(NCCO)NCc1ncccn1 273464a_100000210304_100015189908 [0,0,0,0,0,0|3,0,1]=4 366 B14R1.156 O=C(NCCO)NCc1ncccn1 273464a_100015189908_100000210304 [0,0,0,0,0,0|3,0,1]=4 367 B14R1.156 O=C(NCCO)NCc1ncccn1 512a_100015189908_100000210304 [0,0,0,0,0,0|3,0,1]=4 368 B14R1.156 O=C(NCCO)NNc1ccccc1 273464a_100000210304_100015195140 [0,0,0,0,0,0|2,0,0]=2 369 B14R1.156 O=C(NCCO)NNc1ccccn1 273464a_100000210304_100000183288 [0,0,0,0,0,0|3,0,0]=3 370 B14R1.156 O=C(NCCO)NNc1cccnc1 273464a_100000210304_100000728903 [0,0,0,0,0,0|3,0,0]=3 371 B14R1.156 O=C(NCCO)NNc1cccnn1 273464a_100000210304_100000757824 [0,0,0,0,0,0|4,0,0]=4 372 B14R1.156 O=C(NCCO)NNc1ccncc1 273464a_100000210304_100000698918 [0,0,0,0,0,0|3,0,0]=3 373 B14R1.156 O=C(NCCO)NNc1ccncn1 273464a_100000210304_100011438088 [0,0,0,0,0,0|4,0,0]=4 374 B14R1.156 O=C(NCCO)NNc1cnccn1 273464a_100000210304_100000736894 [0,0,0,0,0,0|4,0,0]=4 375 B14R1.156 O=C(NCCO)NNc1ncccn1 273464a_100000210304_100000736892 [0,0,0,0,0,0|4,0,0]=4 376 B13R1.28 BrCCOC/C=C/c1ccccc1 34a_100000211926_100016265936 [1,0,0,0,0,0|2,0,1]=4 377 B13R1.28 C#CCNC/C=C/c1ccccc1 2230a_100020603302_100000038162 [1,0,0,0,0,0|1,0,2]=4 378 B13R1.28 C#CCNC/C=C/c1ccccc1 34a_100000212058_100016265936 [1,0,0,0,0,0|1,0,2]=4 379 B13R1.28 C#CCNC/C=C/c1ccccc1 34a_100020603302_100000184674 [1,0,0,0,0,0|1,0,2]=4 380 B13R1.28 C=CCNC/C=C/c1ccccc1 2230a_100020586998_100016265936 [1,0,0,0,0,0|1,0,2]=4 381 B13R1.28 C=CCNC/C=C/c1ccccc1 2230a_100020603302_100000210623 [1,0,0,0,0,0|1,0,2]=4 382 B13R1.28 C=CCNC/C=C/c1ccccc1 34a_100020603302_100015514636 [1,0,0,0,0,0|1,0,2]=4 383 B13R1.28 C=CCNCC=Cc1ccccc1 270004a_100020586998_100000210105 [1,0,0,0,0,0|1,0,2]=4 384 B13R1.28 CCCCCC=Cc1ccccc1 271570a_100000062253_100000210277 [1,0,0,0,0,0|2,0,1]=4 385 B13R1.28 CCCNC/C=C/c1ccccc1 2230a_100020603302_100000210303 [1,0,0,0,0,0|1,0,1]=3 386 B13R1.28 CCCNC/C=C/c1ccccc1 34a_100020603302_100000210303 [1,0,0,0,0,0|1,0,1]=3 387 B13R1.28 CCCNCC=Cc1ccccc1 270004a_100020643023_100000210105 [1,0,0,0,0,0|1,0,1]=3 388 B13R1.28 CCCNN=CCc1ccccc1 4a_100000740057_100000209964 [1,0,0,0,0,0|2,0,1]=4 389 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210256_100000210303 [1,0,0,0,0,0|2,0,1]=4 390 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210258_100016265936 [1,0,0,0,0,0|2,0,1]=4 391 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100000210303_100016265936 [1,0,0,0,0,0|2,0,1]=4 392 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100016265936_100000210303 [1,0,0,0,0,0|2,0,1]=4 393 B13R1.28 CCNN=CC=Cc1ccccc1 4a_100000756455_100000210105 [1,0,0,0,0,0|2,0,1]=4 394 B13R1.28 COCNC/C=C/c1ccccc1 2230a_100020603302_100000766300 [1,0,0,0,0,0|2,0,1]=4 395 B13R1.28 CSCNC/C=C/c1ccccc1 2230a_100020603302_100011218213 [1,0,0,0,0,0|2,0,1]=4 396 B13R1.28 CSCNC/C=C/c1ccccc1 34a_100020603302_100011218213 [1,0,0,0,0,0|2,0,1]=4 397 B13R1.28 FCCNC/C=C/c1ccccc1 2230a_100020603302_100011217306 [1,0,0,0,0,0|1,0,1]=3 398 B13R1.28 FCCNC/C=C/c1ccccc1 34a_100000724931_100016265936 [1,0,0,0,0,0|1,0,1]=3 399 B13R1.28 FCCNC/C=C/c1ccccc1 34a_100020603302_100011217306 [1,0,0,0,0,0|1,0,1]=3 400 B13R1.28 FCCOC/C=C/c1ccccc1 34a_100000210256_100011217306 [1,0,0,0,0,0|2,0,1]=4 401 B13R1.28 FCCSC/C=C/c1ccccc1 62a_100011217306_100016265936 [1,0,0,0,0,0|2,0,1]=4 402 B13R1.28 FCCSC/C=C/c1ccccc1 62a_100016265936_100011217306 [1,0,0,0,0,0|2,0,1]=4 403 B13R1.28 N#CCNC/C=C/c1ccccc1 2230a_100020603302_100011215382 [1,0,0,0,0,0|1,0,2]=4 404 B13R1.28 NCCOC/C=C/c1ccccc1 34a_100000210304_100016265936 [1,0,0,0,0,0|2,0,1]=4 405 B13R1.28 O=CCNC/C=C/c1ccccc1 2230a_100020603302_200015260668 [1,0,0,0,0,0|0,0,3]=4 406 B13R1.28 O=CCNC/C=C/c1ccccc1 34a_100020603302_200009817547 [1,0,0,0,0,0|0,0,3]=4 407 B13R1.28 OCCNC/C=C/c1ccccc1 2230a_100016997473_100016265936 [1,0,0,0,0,0|0,0,1]=2 408 B13R1.28 OCCNC/C=C/c1ccccc1 2230a_100020603302_100000211926 [1,0,0,0,0,0|0,0,1]=2 409 B13R1.28 OCCNC/C=C/c1ccccc1 34a_100016990907_100016265936 [1,0,0,0,0,0|0,0,1]=2 410 B13R1.28 OCCNC/C=C/c1ccccc1 34a_100020603302_100000211926 [1,0,0,0,0,0|0,0,1]=2 411 B13R1.28 OCCNCC#Cc1ccccc1 2230a_100016997473_100011352542 [1,0,0,0,0,0|0,0,3]=4 412 B13R1.28 OCCNCC#Cc1ccccc1 34a_100000735379_100000211926 [1,0,0,0,0,0|0,0,3]=4 413 B13R1.28 OCCNCC#Cc1ccccc1 34a_100016990907_100011352542 [1,0,0,0,0,0|0,0,3]=4 414 B13R1.28 OCCNCC=Cc1ccccc1 270004a_100000210304_100000210105 [1,0,0,0,0,0|0,0,1]=2 415 B13R1.28 OCCNCCCc1ccccc1 2230a_100000211184_100000211926 [1,0,0,0,0,0|0,0,3]=4 416 B13R1.28 OCCNCCCc1ccccc1 2230a_100016997473_100000211621 [1,0,0,0,0,0|0,0,3]=4 417 B13R1.28 OCCNCCCc1ccccc1 34a_100000211184_100000211926 [1,0,0,0,0,0|0,0,3]=4 418 B13R1.28 OCCNCCCc1ccccc1 34a_100016990907_100000211621 [1,0,0,0,0,0|0,0,3]=4 419 B13R1.28 OCCNCCOc1ccccc1 2230a_100000174943_100000211926 [1,0,0,0,0,0|1,0,2]=4 420 B13R1.28 OCCNCCOc1ccccc1 2230a_100016997473_100000184471 [1,0,0,0,0,0|1,0,2]=4 421 B13R1.28 OCCNCCOc1ccccc1 270004a_100000210304_100000758736 [1,0,0,0,0,0|1,0,2]=4 422 B13R1.28 OCCNCCOc1ccccc1 34a_100000174943_100000211926 [1,0,0,0,0,0|1,0,2]=4 423 B13R1.28 OCCNCCOc1ccccc1 34a_100016990907_100000184471 [1,0,0,0,0,0|1,0,2]=4 424 B13R1.28 OCCNCCSc1ccccc1 2230a_100000189519_100000211926 [1,0,0,0,0,0|1,0,2]=4 425 B13R1.28 OCCNCCSc1ccccc1 2230a_100016997473_100000246102 [1,0,0,0,0,0|1,0,2]=4 426 B13R1.28 OCCNCCSc1ccccc1 34a_100016990907_100000246102 [1,0,0,0,0,0|1,0,2]=4 427 B13R1.28 OCCNCOCc1ccccc1 2230a_100016997473_100000763385 [1,0,0,0,0,0|1,0,2]=4 428 B13R1.28 OCCNCOCc1ccccc1 34a_100016990907_100000763385 [1,0,0,0,0,0|1,0,2]=4 429 B13R1.28 OCCNCSCc1ccccc1 2230a_100016997473_200011217039 [1,0,0,0,0,0|1,0,2]=4 430 B13R1.28 OCCNCSCc1ccccc1 34a_100016990907_200011217039 [1,0,0,0,0,0|1,0,2]=4 431 B13R1.28 OCCNN=CCc1ccccc1 4a_100000210001_100000209964 [1,0,0,0,0,0|1,0,1]=3 432 B13R1.28 OCCOC/C=C/c1ccccc1 34a_100000210256_100000211926 [1,0,0,0,0,0|1,0,1]=3 433 B13R1.28 OCCOC/C=C/c1cccnc1 34a_200102594124_100000211926 [1,0,0,0,0,0|2,0,1]=4 434 B13R1.28 OCCSC/C=C/c1ccccc1 62a_100000211926_100016265936 [1,0,0,0,0,0|1,0,1]=3 435 B13R1.28 OCCSC/C=C/c1ccccc1 62a_100016265936_100000211926 [1,0,0,0,0,0|1,0,1]=3 436 B13R1.42 C#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000184674 [1,0,0,0,0,0|1,0,1]=3 437 B13R1.42 C#CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000184674 [1,0,0,0,0,0|2,0,1]=4 438 B13R1.42 C#CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000184674 [1,0,0,0,0,0|2,0,1]=4 439 B13R1.42 C#CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000184674 [1,0,0,0,0,0|2,0,1]=4 440 B13R1.42 C=CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210623 [1,0,0,0,0,0|1,0,1]=3 441 B13R1.42 C=CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210623 [1,0,0,0,0,0|2,0,1]=4 442 B13R1.42 C=CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210623 [1,0,0,0,0,0|2,0,1]=4 443 B13R1.42 C=CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210623 [1,0,0,0,0,0|2,0,1]=4 444 B13R1.42 CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210303 [1,0,0,0,0,0|1,0,2]=4 445 B13R1.42 CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210303 [1,0,0,0,0,0|1,0,0]=2 446 B13R1.42 CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210303 [1,0,0,0,0,0|2,0,0]=3 447 B13R1.42 CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210303 [1,0,0,0,0,0|2,0,0]=3 448 B13R1.42 CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210303 [1,0,0,0,0,0|2,0,0]=3 449 B13R1.42 CCCC(=O)C=Cc1cncnc1 6a_100000749868_100011215381 [1,0,0,0,0,0|3,0,0]=4 450 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [1,0,0,0,0,0|1,0,2]=4 451 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [1,0,0,0,0,0|1,0,2]=4 452 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [1,0,0,0,0,0|2,0,1]=4 453 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [1,0,0,0,0,0|2,0,1]=4 454 B13R1.42 CCCC(=O)CSc1ccccc1 1458a_100000211596_100000210303 [1,0,0,0,0,0|2,0,1]=4 455 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000719477_100000747444 [1,0,0,0,0,0|2,0,1]=4 456 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000747444_100000041952 [1,0,0,0,0,0|2,0,1]=4 457 B13R1.42 CCCC(=O)NCc1ccccc1 11a_100015324214_100000211992 [1,0,0,0,0,0|2,0,1]=4 458 B13R1.42 CCCC(=O)NCc1ccccc1 1626a_100015324214_100000211992 [1,0,0,0,0,0|2,0,1]=4 459 B13R1.42 CCCC(=O)NCc1ccccc1 240690a_100015324214_100000211992 [1,0,0,0,0,0|2,0,1]=4 460 B13R1.42 CCCC(=O)NCc1ccccc1 527a_100015324214_100000211992 [1,0,0,0,0,0|2,0,1]=4 461 B13R1.42 CCCC(=O)NNc1ccccc1 22a_100015195140_100000211992 [1,0,0,0,0,0|3,0,0]=4 462 B13R1.42 CCNC(=O)C#Cc1ccccc1 240690a_100015525214_100000736102 [1,0,0,0,0,0|0,0,2]=3 463 B13R1.42 CCNC(=O)C=Cc1ccccc1 11a_100015525214_100000210462 [1,0,0,0,0,0|0,0,0]=1 464 B13R1.42 CCNC(=O)C=Cc1ccccn1 11a_100015525214_100000740811 [1,0,0,0,0,0|1,0,0]=2 465 B13R1.42 CCNC(=O)C=Cc1ccccn1 240690a_100015525214_100000740811 [1,0,0,0,0,0|1,0,0]=2 466 B13R1.42 CCNC(=O)C=Cc1cccnc1 11a_100015525214_100000735890 [1,0,0,0,0,0|1,0,0]=2 467 B13R1.42 CCNC(=O)C=Cc1cccnc1 240690a_100015525214_100000735890 [1,0,0,0,0,0|1,0,0]=2 468 B13R1.42 CCNC(=O)C=Cc1ccncc1 240690a_100015525214_100000682801 [1,0,0,0,0,0|1,0,0]=2 469 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [1,0,0,0,0,0|0,0,2]=3 470 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [1,0,0,0,0,0|0,0,2]=3 471 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [1,0,0,0,0,0|0,0,2]=3 472 B13R1.42 CCNC(=O)CCc1ccccn1 11a_100015525214_100015195070 [1,0,0,0,0,0|1,0,2]=4 473 B13R1.42 CCNC(=O)CCc1ccccn1 240690a_100015525214_100015195070 [1,0,0,0,0,0|1,0,2]=4 474 B13R1.42 CCNC(=O)CCc1ccccn1 527a_100015525214_100015195070 [1,0,0,0,0,0|1,0,2]=4 475 B13R1.42 CCNC(=O)CCc1cccnc1 11a_100015525214_100000198484 [1,0,0,0,0,0|1,0,2]=4 476 B13R1.42 CCNC(=O)CCc1cccnc1 240690a_100015525214_100000198484 [1,0,0,0,0,0|1,0,2]=4 477 B13R1.42 CCNC(=O)CCc1cccnc1 527a_100015525214_100000198484 [1,0,0,0,0,0|1,0,2]=4 478 B13R1.42 CCNC(=O)CCc1ccncc1 11a_100015525214_100011225043 [1,0,0,0,0,0|1,0,2]=4 479 B13R1.42 CCNC(=O)CCc1ccncc1 240690a_100015525214_100011225043 [1,0,0,0,0,0|1,0,2]=4 480 B13R1.42 CCNC(=O)CCc1ccncc1 527a_100015525214_100011225043 [1,0,0,0,0,0|1,0,2]=4 481 B13R1.42 CCNC(=O)CNc1ccccc1 34a_100000106764_100000183381 [1,0,0,0,0,0|1,0,1]=3 482 B13R1.42 CCNC(=O)COc1ccccc1 11a_100015525214_100000186222 [1,0,0,0,0,0|1,0,1]=3 483 B13R1.42 CCNC(=O)COc1ccccc1 240690a_100015525214_100000186222 [1,0,0,0,0,0|1,0,1]=3 484 B13R1.42 CCNC(=O)COc1ccccc1 34a_100000210340_100000183381 [1,0,0,0,0,0|1,0,1]=3 485 B13R1.42 CCNC(=O)COc1ccccc1 527a_100015525214_100000186222 [1,0,0,0,0,0|1,0,1]=3 486 B13R1.42 CCNC(=O)COc1ccccc1 7a_100000210340_100000183381 [1,0,0,0,0,0|1,0,1]=3 487 B13R1.42 CCNC(=O)COc1ccccn1 240690a_100015525214_100102699861 [1,0,0,0,0,0|2,0,1]=4 488 B13R1.42 CCNC(=O)COc1ccccn1 527a_100015525214_100102699861 [1,0,0,0,0,0|2,0,1]=4 489 B13R1.42 CCNC(=O)COc1cccnc1 11a_100015525214_100015207166 [1,0,0,0,0,0|2,0,1]=4 490 B13R1.42 CCNC(=O)COc1cccnc1 240690a_100015525214_100015207166 [1,0,0,0,0,0|2,0,1]=4 491 B13R1.42 CCNC(=O)COc1cccnc1 34a_100000210849_100000183381 [1,0,0,0,0,0|2,0,1]=4 492 B13R1.42 CCNC(=O)COc1cccnc1 527a_100015525214_100015207166 [1,0,0,0,0,0|2,0,1]=4 493 B13R1.42 CCNC(=O)COc1cccnc1 7a_100000210849_100000183381 [1,0,0,0,0,0|2,0,1]=4 494 B13R1.42 CCNC(=O)COc1ccncc1 34a_100000212176_100000183381 [1,0,0,0,0,0|2,0,1]=4 495 B13R1.42 CCNC(=O)CSc1ccccc1 11a_100015525214_100000211596 [1,0,0,0,0,0|1,0,1]=3 496 B13R1.42 CCNC(=O)CSc1ccccc1 240690a_100015525214_100000211596 [1,0,0,0,0,0|1,0,1]=3 497 B13R1.42 CCNC(=O)CSc1ccccc1 527a_100015525214_100000211596 [1,0,0,0,0,0|1,0,1]=3 498 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000183381_100000041952 [1,0,0,0,0,0|1,0,1]=3 499 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000719477_100000183381 [1,0,0,0,0,0|1,0,1]=3 500 B13R1.42 CCNC(=O)CSc1ccccn1 11a_100015525214_100000156281 [1,0,0,0,0,0|2,0,1]=4 501 B13R1.42 CCNC(=O)CSc1ccccn1 240690a_100015525214_100000156281 [1,0,0,0,0,0|2,0,1]=4 502 B13R1.42 CCNC(=O)CSc1ccccn1 527a_100015525214_100000156281 [1,0,0,0,0,0|2,0,1]=4 503 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100000183381_100011216584 [1,0,0,0,0,0|2,0,1]=4 504 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100011216584_100000183381 [1,0,0,0,0,0|2,0,1]=4 505 B13R1.42 CCNC(=O)CSc1cccnc1 62a_100000183381_100000210063 [1,0,0,0,0,0|2,0,1]=4 506 B13R1.42 CCNC(=O)CSc1cccnc1 62a_100000210063_100000183381 [1,0,0,0,0,0|2,0,1]=4 507 B13R1.42 CCNC(=O)CSc1ccncc1 11a_100015525214_100000211328 [1,0,0,0,0,0|2,0,1]=4 508 B13R1.42 CCNC(=O)CSc1ccncc1 240690a_100015525214_100000211328 [1,0,0,0,0,0|2,0,1]=4 509 B13R1.42 CCNC(=O)CSc1ccncc1 527a_100015525214_100000211328 [1,0,0,0,0,0|2,0,1]=4 510 B13R1.42 CCNC(=O)CSc1ccncc1 62a_100000183381_100000728582 [1,0,0,0,0,0|2,0,1]=4 511 B13R1.42 CCNC(=O)CSc1ccncc1 62a_100000728582_100000183381 [1,0,0,0,0,0|2,0,1]=4 512 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015324214_100015525214 [1,0,0,0,0,0|1,0,1]=3 513 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015525214_100015324214 [1,0,0,0,0,0|1,0,1]=3 514 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015324214_100015525214 [1,0,0,0,0,0|1,0,1]=3 515 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015525214_100015324214 [1,0,0,0,0,0|1,0,1]=3 516 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015324214_100015525214 [1,0,0,0,0,0|1,0,1]=3 517 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015525214_100015324214 [1,0,0,0,0,0|1,0,1]=3 518 B13R1.42 CCNC(=O)NCc1ccccn1 2708a_100000210449_100015525214 [1,0,0,0,0,0|2,0,1]=4 519 B13R1.42 CCNC(=O)NCc1ccccn1 2708a_100015525214_100000210449 [1,0,0,0,0,0|2,0,1]=4 520 B13R1.42 CCNC(=O)NCc1ccccn1 273464a_100000210449_100015525214 [1,0,0,0,0,0|2,0,1]=4 521 B13R1.42 CCNC(=O)NCc1ccccn1 273464a_100015525214_100000210449 [1,0,0,0,0,0|2,0,1]=4 522 B13R1.42 CCNC(=O)NCc1ccccn1 512a_100015525214_100000210449 [1,0,0,0,0,0|2,0,1]=4 523 B13R1.42 CCNC(=O)NCc1cccnc1 2708a_100000210453_100015525214 [1,0,0,0,0,0|2,0,1]=4 524 B13R1.42 CCNC(=O)NCc1cccnc1 2708a_100015525214_100000210453 [1,0,0,0,0,0|2,0,1]=4 525 B13R1.42 CCNC(=O)NCc1cccnc1 273464a_100000210453_100015525214 [1,0,0,0,0,0|2,0,1]=4 526 B13R1.42 CCNC(=O)NCc1cccnc1 273464a_100015525214_100000210453 [1,0,0,0,0,0|2,0,1]=4 527 B13R1.42 CCNC(=O)NCc1cccnc1 512a_100000210453_100015525214 [1,0,0,0,0,0|2,0,1]=4 528 B13R1.42 CCNC(=O)NCc1cccnc1 512a_100015525214_100000210453 [1,0,0,0,0,0|2,0,1]=4 529 B13R1.42 CCNC(=O)NCc1ccncc1 2708a_100000210450_100015525214 [1,0,0,0,0,0|2,0,1]=4 530 B13R1.42 CCNC(=O)NCc1ccncc1 2708a_100015525214_100000210450 [1,0,0,0,0,0|2,0,1]=4 531 B13R1.42 CCNC(=O)NCc1ccncc1 273464a_100000210450_100015525214 [1,0,0,0,0,0|2,0,1]=4 532 B13R1.42 CCNC(=O)NCc1ccncc1 273464a_100015525214_100000210450 [1,0,0,0,0,0|2,0,1]=4 533 B13R1.42 CCNC(=O)NCc1ccncc1 512a_100015525214_100000210450 [1,0,0,0,0,0|2,0,1]=4 534 B13R1.42 CCNC(=O)NNc1ccccc1 273464a_100015525214_100015195140 [1,0,0,0,0,0|2,0,0]=3 535 B13R1.42 CCNC(=O)NNc1ccccc1 512a_100015525214_100015195140 [1,0,0,0,0,0|2,0,0]=3 536 B13R1.42 CCNC(=O)NNc1ccccn1 273464a_100015525214_100000183288 [1,0,0,0,0,0|3,0,0]=4 537 B13R1.42 CCNC(=O)NNc1ccccn1 512a_100015525214_100000183288 [1,0,0,0,0,0|3,0,0]=4 538 B13R1.42 CCNC(=O)NNc1cccnc1 273464a_100015525214_100000728903 [1,0,0,0,0,0|3,0,0]=4 539 B13R1.42 CCNC(=O)NNc1cccnc1 512a_100015525214_100000728903 [1,0,0,0,0,0|3,0,0]=4 540 B13R1.42 CCNC(=O)NNc1ccncc1 273464a_100015525214_100000698918 [1,0,0,0,0,0|3,0,0]=4 541 B13R1.42 CCNC(=O)NNc1ccncc1 512a_100015525214_100000698918 [1,0,0,0,0,0|3,0,0]=4 542 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [1,0,0,0,0,0|1,0,0]=2 543 B13R1.42 CCOC(=O)C=Cc1ccccn1 271570a_100010199719_100011216584 [1,0,0,0,0,0|2,0,0]=3 544 B13R1.42 CCOC(=O)C=Cc1cccnc1 271570a_100010199719_100000752921 [1,0,0,0,0,0|2,0,0]=3 545 B13R1.42 CCOC(=O)C=Cc1cccnn1 271570a_100010199719_100016991348 [1,0,0,0,0,0|3,0,0]=4 546 B13R1.42 CCOC(=O)C=Cc1ccncc1 271570a_100010199719_100000035832 [1,0,0,0,0,0|2,0,0]=3 547 B13R1.42 CCOC(=O)C=Cc1ccncn1 271570a_100010199719_100000703185 [1,0,0,0,0,0|3,0,0]=4 548 B13R1.42 CCOC(=O)C=Cc1ccnnc1 271570a_100010199719_100000732662 [1,0,0,0,0,0|3,0,0]=4 549 B13R1.42 CCOC(=O)C=Cc1cnccn1 271570a_100010199719_100000758340 [1,0,0,0,0,0|3,0,0]=4 550 B13R1.42 CCOC(=O)C=Cc1cncnc1 271570a_100010199719_100011206942 [1,0,0,0,0,0|3,0,0]=4 551 B13R1.42 CCOC(=O)C=Cc1ncccn1 271570a_100010199719_100000211032 [1,0,0,0,0,0|3,0,0]=4 552 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [1,0,0,0,0,0|2,0,1]=4 553 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [1,0,0,0,0,0|2,0,1]=4 554 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [1,0,0,0,0,0|2,0,1]=4 555 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [1,0,0,0,0,0|2,0,1]=4 556 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [1,0,0,0,0,0|2,0,1]=4 557 B13R1.42 CNNC(=O)C#Cc1ccccc1 22a_100016993582_100000736102 [1,0,0,0,0,0|1,0,2]=4 558 B13R1.42 CNNC(=O)C=Cc1ccccc1 22a_100016993582_100000210462 [1,0,0,0,0,0|1,0,0]=2 559 B13R1.42 CNNC(=O)C=Cc1ccccn1 22a_100016993582_100000740811 [1,0,0,0,0,0|2,0,0]=3 560 B13R1.42 CNNC(=O)C=Cc1cccnc1 22a_100016993582_100000735890 [1,0,0,0,0,0|2,0,0]=3 561 B13R1.42 CNNC(=O)C=Cc1ccncc1 22a_100016993582_100000682801 [1,0,0,0,0,0|2,0,0]=3 562 B13R1.42 CNNC(=O)CCc1ccccc1 22a_100016993582_100000185753 [1,0,0,0,0,0|1,0,2]=4 563 B13R1.42 CNNC(=O)COc1ccccc1 22a_100016993582_100000186222 [1,0,0,0,0,0|2,0,1]=4 564 B13R1.42 CNNC(=O)CSc1ccccc1 22a_100016993582_100000211596 [1,0,0,0,0,0|2,0,1]=4 565 B13R1.42 CNNC(=O)NCc1ccccc1 273464a_100015324214_100016993582 [1,0,0,0,0,0|2,0,1]=4 566 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100015324214_100016993582 [1,0,0,0,0,0|2,0,1]=4 567 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100016993582_100015324214 [1,0,0,0,0,0|2,0,1]=4 568 B13R1.42 CNNC(=O)NNc1ccccc1 512a_100016993582_100015195140 [1,0,0,0,0,0|3,0,0]=4 569 B13R1.42 N#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100011214920 [1,0,0,0,0,0|1,0,1]=3 570 B13R1.42 N#CCC(=O)C=Cc1ccccn1 1458a_100000740811_100011214920 [1,0,0,0,0,0|2,0,1]=4 571 B13R1.42 N#CCC(=O)C=Cc1cccnc1 1458a_100000735890_100011214920 [1,0,0,0,0,0|2,0,1]=4 572 B13R1.42 N#CCC(=O)C=Cc1ccncc1 1458a_100000682801_100011214920 [1,0,0,0,0,0|2,0,1]=4 573 B13R1.42 O=C(C#Cc1ccccc1)CCF 1458a_100000736102_100011217306 [1,0,0,0,0,0|1,0,2]=4 574 B13R1.42 O=C(C#Cc1ccccc1)CCO 1458a_100000736102_100000211926 [1,0,0,0,0,0|0,0,2]=3 575 B13R1.42 O=C(C#Cc1ccccn1)CCO 1458a_102125277312_100000211926 [1,0,0,0,0,0|1,0,2]=4 576 B13R1.42 O=C(C=Cc1ccccc1)CCF 1458a_100000210462_100011217306 [1,0,0,0,0,0|1,0,0]=2 577 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [1,0,0,0,0,0|0,0,0]=1 578 B13R1.42 O=C(C=Cc1ccccn1)CCF 1458a_100000740811_100011217306 [1,0,0,0,0,0|2,0,0]=3 579 B13R1.42 O=C(C=Cc1ccccn1)CCO 1458a_100000740811_100000211926 [1,0,0,0,0,0|1,0,0]=2 580 B13R1.42 O=C(C=Cc1cccnc1)CCF 1458a_100000735890_100011217306 [1,0,0,0,0,0|2,0,0]=3 581 B13R1.42 O=C(C=Cc1cccnc1)CCO 1458a_100000735890_100000211926 [1,0,0,0,0,0|1,0,0]=2 582 B13R1.42 O=C(C=Cc1ccncc1)CCF 1458a_100000682801_100011217306 [1,0,0,0,0,0|2,0,0]=3 583 B13R1.42 O=C(C=Cc1ccncc1)CCO 1458a_100000682801_100000211926 [1,0,0,0,0,0|1,0,0]=2 584 B13R1.42 O=C(C=Cc1cncnc1)CCBr 6a_100000749868_100011261029 [1,0,0,0,0,0|3,0,0]=4 585 B13R1.42 O=C(C=Cc1cncnc1)CCCl 6a_100000749868_100000053229 [1,0,0,0,0,0|3,0,0]=4 586 B13R1.42 O=C(CCF)CCc1ccccc1 1458a_100000185753_100011217306 [1,0,0,0,0,0|1,0,2]=4 587 B13R1.42 O=C(CCF)COc1ccccc1 1458a_100000186222_100011217306 [1,0,0,0,0,0|2,0,1]=4 588 B13R1.42 O=C(CCF)CSc1ccccc1 1458a_100000211596_100011217306 [1,0,0,0,0,0|2,0,1]=4 589 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [1,0,0,0,0,0|0,0,2]=3 590 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [1,0,0,0,0,0|0,0,2]=3 591 B13R1.42 O=C(CCO)CCc1ccccn1 1458a_100011216618_100015183660 [1,0,0,0,0,0|1,0,2]=4 592 B13R1.42 O=C(CCO)CCc1ccccn1 1458a_100015195070_100000211926 [1,0,0,0,0,0|1,0,2]=4 593 B13R1.42 O=C(CCO)CCc1cccnc1 1458a_100000198484_100000211926 [1,0,0,0,0,0|1,0,2]=4 594 B13R1.42 O=C(CCO)CCc1cccnc1 1458a_100011216618_200011713674 [1,0,0,0,0,0|1,0,2]=4 595 B13R1.42 O=C(CCO)CCc1ccncc1 1458a_100011216618_100000723409 [1,0,0,0,0,0|1,0,2]=4 596 B13R1.42 O=C(CCO)CCc1ccncc1 1458a_100011225043_100000211926 [1,0,0,0,0,0|1,0,2]=4 597 B13R1.42 O=C(CCO)COc1ccccc1 1458a_100000186222_100000211926 [1,0,0,0,0,0|1,0,1]=3 598 B13R1.42 O=C(CCO)COc1ccccn1 1458a_100102699861_100000211926 [1,0,0,0,0,0|2,0,1]=4 599 B13R1.42 O=C(CCO)COc1cccnc1 1458a_100015207166_100000211926 [1,0,0,0,0,0|2,0,1]=4 600 B13R1.42 O=C(CCO)CSc1ccccc1 1458a_100000211596_100000211926 [1,0,0,0,0,0|1,0,1]=3 601 B13R1.42 O=C(CCO)CSc1ccccn1 1458a_100000156281_100000211926 [1,0,0,0,0,0|2,0,1]=4 602 B13R1.42 O=C(CCO)CSc1ccncc1 1458a_100000211328_100000211926 [1,0,0,0,0,0|2,0,1]=4 603 B13R1.42 O=C(CCO)NCc1ccccc1 240690a_100015324214_100011216618 [1,0,0,0,0,0|1,0,1]=3 604 B13R1.42 O=C(CCO)NCc1ccccn1 240690a_100000210449_100011216618 [1,0,0,0,0,0|2,0,1]=4 605 B13R1.42 O=C(CCO)NCc1cccnc1 240690a_100000210453_100011216618 [1,0,0,0,0,0|2,0,1]=4 606 B13R1.42 O=C(CCO)NCc1ccncc1 240690a_100000210450_100011216618 [1,0,0,0,0,0|2,0,1]=4 607 B13R1.42 O=C(CCO)NNc1ccccc1 22a_100015195140_100011216618 [1,0,0,0,0,0|2,0,0]=3 608 B13R1.42 O=C(CCO)NNc1ccccn1 22a_100000183288_100011216618 [1,0,0,0,0,0|3,0,0]=4 609 B13R1.42 O=C(CCO)NNc1cccnc1 22a_100000728903_100011216618 [1,0,0,0,0,0|3,0,0]=4 610 B13R1.42 O=C(CCO)NNc1ccncc1 22a_100000698918_100011216618 [1,0,0,0,0,0|3,0,0]=4 611 B13R1.42 O=C(CNc1ccccc1)NCO 34a_100000106764_100000185155 [1,0,0,0,0,0|1,0,1]=3 612 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [1,0,0,0,0,0|1,0,1]=3 613 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [1,0,0,0,0,0|1,0,1]=3 614 B13R1.42 O=C(COc1cccnc1)NCO 34a_100000210849_100000185155 [1,0,0,0,0,0|2,0,1]=4 615 B13R1.42 O=C(COc1cccnc1)NCO 7a_100000210849_100000185155 [1,0,0,0,0,0|2,0,1]=4 616 B13R1.42 O=C(COc1ccncc1)NCO 34a_100000212176_100000185155 [1,0,0,0,0,0|2,0,1]=4 617 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000185155_100000041952 [1,0,0,0,0,0|1,0,1]=3 618 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000719477_100000185155 [1,0,0,0,0,0|1,0,1]=3 619 B13R1.42 O=C(CSc1ccccn1)NCO 62a_100000185155_100011216584 [1,0,0,0,0,0|2,0,1]=4 620 B13R1.42 O=C(CSc1ccccn1)NCO 62a_100011216584_100000185155 [1,0,0,0,0,0|2,0,1]=4 621 B13R1.42 O=C(CSc1cccnc1)NCO 62a_100000185155_100000210063 [1,0,0,0,0,0|2,0,1]=4 622 B13R1.42 O=C(CSc1cccnc1)NCO 62a_100000210063_100000185155 [1,0,0,0,0,0|2,0,1]=4 623 B13R1.42 O=C(CSc1ccncc1)NCO 62a_100000185155_100000728582 [1,0,0,0,0,0|2,0,1]=4 624 B13R1.42 O=C(CSc1ccncc1)NCO 62a_100000728582_100000185155 [1,0,0,0,0,0|2,0,1]=4 625 B15R1.78 C#CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000731252 [0,1,0,0,0,0|2,0,0]=3 626 B15R1.78 C#CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000731252 [0,1,0,0,0,0|3,0,0]=4 627 B15R1.78 C#CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000731252 [0,1,0,0,0,0|3,0,0]=4 628 B15R1.78 C#CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000731252 [0,1,0,0,0,0|3,0,0]=4 629 B15R1.78 C#CCCNC(=O)C#Cc1ccccc1 240690a_100000755551_100000736102 [0,1,0,0,0,0|1,0,2]=4 630 B15R1.78 C#CCCNC(=O)C=Cc1ccccc1 11a_100000755551_100000210462 [0,1,0,0,0,0|1,0,0]=2 631 B15R1.78 C#CCCNC(=O)C=Cc1ccccc1 1626a_100000755551_100000210462 [0,1,0,0,0,0|1,0,0]=2 632 B15R1.78 C#CCCNC(=O)C=Cc1ccccn1 11a_100000755551_100000740811 [0,1,0,0,0,0|2,0,0]=3 633 B15R1.78 C#CCCNC(=O)C=Cc1ccccn1 240690a_100000755551_100000740811 [0,1,0,0,0,0|2,0,0]=3 634 B15R1.78 C#CCCNC(=O)C=Cc1cccnc1 11a_100000755551_100000735890 [0,1,0,0,0,0|2,0,0]=3 635 B15R1.78 C#CCCNC(=O)C=Cc1cccnc1 240690a_100000755551_100000735890 [0,1,0,0,0,0|2,0,0]=3 636 B15R1.78 C#CCCNC(=O)C=Cc1ccncc1 240690a_100000755551_100000682801 [0,1,0,0,0,0|2,0,0]=3 637 B15R1.78 C#CCCNC(=O)CCc1ccccc1 11a_100000755551_100000185753 [0,1,0,0,0,0|1,0,2]=4 638 B15R1.78 C#CCCNC(=O)CCc1ccccc1 1626a_100000755551_100000185753 [0,1,0,0,0,0|1,0,2]=4 639 B15R1.78 C#CCCNC(=O)CCc1ccccc1 240690a_100000755551_100000185753 [0,1,0,0,0,0|1,0,2]=4 640 B15R1.78 C#CCCNC(=O)CCc1ccccc1 527a_100000755551_100000185753 [0,1,0,0,0,0|1,0,2]=4 641 B15R1.78 C#CCCNC(=O)COc1ccccc1 11a_100000755551_100000186222 [0,1,0,0,0,0|2,0,1]=4 642 B15R1.78 C#CCCNC(=O)COc1ccccc1 1626a_100000755551_100000186222 [0,1,0,0,0,0|2,0,1]=4 643 B15R1.78 C#CCCNC(=O)COc1ccccc1 240690a_100000755551_100000186222 [0,1,0,0,0,0|2,0,1]=4 644 B15R1.78 C#CCCNC(=O)COc1ccccc1 527a_100000755551_100000186222 [0,1,0,0,0,0|2,0,1]=4 645 B15R1.78 C#CCCNC(=O)CSc1ccccc1 11a_100000755551_100000211596 [0,1,0,0,0,0|2,0,1]=4 646 B15R1.78 C#CCCNC(=O)CSc1ccccc1 1626a_100000755551_100000211596 [0,1,0,0,0,0|2,0,1]=4 647 B15R1.78 C#CCCNC(=O)CSc1ccccc1 240690a_100000755551_100000211596 [0,1,0,0,0,0|2,0,1]=4 648 B15R1.78 C#CCCNC(=O)CSc1ccccc1 527a_100000755551_100000211596 [0,1,0,0,0,0|2,0,1]=4 649 B15R1.78 C#CCCNC(=O)NCc1ccccc1 2708a_100000755551_100015324214 [0,1,0,0,0,0|2,0,1]=4 650 B15R1.78 C#CCCNC(=O)NCc1ccccc1 2708a_100015324214_100000755551 [0,1,0,0,0,0|2,0,1]=4 651 B15R1.78 C#CCCNC(=O)NCc1ccccc1 273464a_100000755551_100015324214 [0,1,0,0,0,0|2,0,1]=4 652 B15R1.78 C#CCCNC(=O)NCc1ccccc1 273464a_100015324214_100000755551 [0,1,0,0,0,0|2,0,1]=4 653 B15R1.78 C#CCCNC(=O)NCc1ccccc1 512a_100000755551_100015324214 [0,1,0,0,0,0|2,0,1]=4 654 B15R1.78 C#CCCNC(=O)NCc1ccccc1 512a_100015324214_100000755551 [0,1,0,0,0,0|2,0,1]=4 655 B15R1.78 C#CCCNC(=O)NNc1ccccc1 273464a_100000755551_100015195140 [0,1,0,0,0,0|3,0,0]=4 656 B15R1.78 C#CCCNC(=O)NNc1ccccc1 512a_100000755551_100015195140 [0,1,0,0,0,0|3,0,0]=4 657 B15R1.78 C=CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000757094 [0,1,0,0,0,0|2,0,0]=3 658 B15R1.78 C=CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000757094 [0,1,0,0,0,0|3,0,0]=4 659 B15R1.78 C=CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000757094 [0,1,0,0,0,0|3,0,0]=4 660 B15R1.78 C=CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000757094 [0,1,0,0,0,0|3,0,0]=4 661 B15R1.78 C=CCCNC(=O)C#Cc1ccccc1 240690a_100015191253_100000736102 [0,1,0,0,0,0|1,0,2]=4 662 B15R1.78 C=CCCNC(=O)C=Cc1ccccc1 11a_100015191253_100000210462 [0,1,0,0,0,0|1,0,0]=2 663 B15R1.78 C=CCCNC(=O)C=Cc1ccccc1 1626a_100015191253_100000210462 [0,1,0,0,0,0|1,0,0]=2 664 B15R1.78 C=CCCNC(=O)C=Cc1ccccn1 11a_100015191253_100000740811 [0,1,0,0,0,0|2,0,0]=3 665 B15R1.78 C=CCCNC(=O)C=Cc1ccccn1 240690a_100015191253_100000740811 [0,1,0,0,0,0|2,0,0]=3 666 B15R1.78 C=CCCNC(=O)C=Cc1cccnc1 11a_100015191253_100000735890 [0,1,0,0,0,0|2,0,0]=3 667 B15R1.78 C=CCCNC(=O)C=Cc1cccnc1 240690a_100015191253_100000735890 [0,1,0,0,0,0|2,0,0]=3 668 B15R1.78 C=CCCNC(=O)C=Cc1ccncc1 240690a_100015191253_100000682801 [0,1,0,0,0,0|2,0,0]=3 669 B15R1.78 C=CCCNC(=O)CCc1ccccc1 11a_100015191253_100000185753 [0,1,0,0,0,0|1,0,2]=4 670 B15R1.78 C=CCCNC(=O)CCc1ccccc1 1626a_100015191253_100000185753 [0,1,0,0,0,0|1,0,2]=4 671 B15R1.78 C=CCCNC(=O)CCc1ccccc1 240690a_100015191253_100000185753 [0,1,0,0,0,0|1,0,2]=4 672 B15R1.78 C=CCCNC(=O)CCc1ccccc1 527a_100015191253_100000185753 [0,1,0,0,0,0|1,0,2]=4 673 B15R1.78 C=CCCNC(=O)COc1ccccc1 11a_100015191253_100000186222 [0,1,0,0,0,0|2,0,1]=4 674 B15R1.78 C=CCCNC(=O)COc1ccccc1 1626a_100015191253_100000186222 [0,1,0,0,0,0|2,0,1]=4 675 B15R1.78 C=CCCNC(=O)COc1ccccc1 240690a_100015191253_100000186222 [0,1,0,0,0,0|2,0,1]=4 676 B15R1.78 C=CCCNC(=O)COc1ccccc1 527a_100015191253_100000186222 [0,1,0,0,0,0|2,0,1]=4 677 B15R1.78 C=CCCNC(=O)CSc1ccccc1 11a_100015191253_100000211596 [0,1,0,0,0,0|2,0,1]=4 678 B15R1.78 C=CCCNC(=O)CSc1ccccc1 1626a_100015191253_100000211596 [0,1,0,0,0,0|2,0,1]=4 679 B15R1.78 C=CCCNC(=O)CSc1ccccc1 240690a_100015191253_100000211596 [0,1,0,0,0,0|2,0,1]=4 680 B15R1.78 C=CCCNC(=O)CSc1ccccc1 527a_100015191253_100000211596 [0,1,0,0,0,0|2,0,1]=4 681 B15R1.78 C=CCCNC(=O)NCc1ccccc1 2708a_100015191253_100015324214 [0,1,0,0,0,0|2,0,1]=4 682 B15R1.78 C=CCCNC(=O)NCc1ccccc1 2708a_100015324214_100015191253 [0,1,0,0,0,0|2,0,1]=4 683 B15R1.78 C=CCCNC(=O)NCc1ccccc1 273464a_100015191253_100015324214 [0,1,0,0,0,0|2,0,1]=4 684 B15R1.78 C=CCCNC(=O)NCc1ccccc1 273464a_100015324214_100015191253 [0,1,0,0,0,0|2,0,1]=4 685 B15R1.78 C=CCCNC(=O)NCc1ccccc1 512a_100015191253_100015324214 [0,1,0,0,0,0|2,0,1]=4 686 B15R1.78 C=CCCNC(=O)NCc1ccccc1 512a_100015324214_100015191253 [0,1,0,0,0,0|2,0,1]=4 687 B15R1.78 C=CCCNC(=O)NNc1ccccc1 273464a_100015191253_100015195140 [0,1,0,0,0,0|3,0,0]=4 688 B15R1.78 C=CCCNC(=O)NNc1ccccc1 512a_100015191253_100015195140 [0,1,0,0,0,0|3,0,0]=4 689 B15R1.78 C=CCNNC(=O)C=Cc1ccccc1 22a_100020588587_100000210462 [0,1,0,0,0,0|1,0,1]=3 690 B15R1.78 C=CCNNC(=O)C=Cc1ccccn1 22a_100020588587_100000740811 [0,1,0,0,0,0|2,0,1]=4 691 B15R1.78 C=CCNNC(=O)C=Cc1cccnc1 22a_100020588587_100000735890 [0,1,0,0,0,0|2,0,1]=4 692 B15R1.78 C=CCNNC(=O)C=Cc1ccncc1 22a_100020588587_100000682801 [0,1,0,0,0,0|2,0,1]=4 693 B15R1.78 C=COCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000039644 [0,1,0,0,0,0|2,0,1]=4 694 B15R1.78 CC#CCNC(=O)C=Cc1ccccc1 11a_100000685387_100000210462 [0,1,0,0,0,0|1,0,1]=3 695 B15R1.78 CC#CCNC(=O)C=Cc1ccccc1 1626a_100000685387_100000210462 [0,1,0,0,0,0|1,0,1]=3 696 B15R1.78 CC#CCNC(=O)C=Cc1ccccn1 11a_100000685387_100000740811 [0,1,0,0,0,0|2,0,1]=4 697 B15R1.78 CC#CCNC(=O)C=Cc1cccnc1 11a_100000685387_100000735890 [0,1,0,0,0,0|2,0,1]=4 698 B15R1.78 CC(=NNCCO)C#Cc1ccccc1 4a_100000210001_100000032204 [0,1,0,0,0,0|1,0,2]=4 699 B15R1.78 CC(=NNCCO)C=Cc1ccccc1 4a_100000210001_100000204604 [0,1,0,0,0,0|1,0,0]=2 700 B15R1.78 CC(=NNCCO)C=Cc1ccccn1 4a_100000210001_100102710650 [0,1,0,0,0,0|2,0,0]=3 701 B15R1.78 CC(=NNCCO)CCc1ccccc1 4a_100000210001_100000210092 [0,1,0,0,0,0|1,0,2]=4 702 B15R1.78 CC(=NNCCO)COc1ccccc1 4a_100000210001_100000150576 [0,1,0,0,0,0|2,0,1]=4 703 B15R1.78 CC(=NNCCO)CSc1ccccc1 4a_100000210001_100000150717 [0,1,0,0,0,0|2,0,1]=4 704 B15R1.78 CC/C=C\CC(=O)C=Cc1ccccc1 1458a_100000210462_100103147603 [0,1,0,0,0,0|2,0,1]=4 705 B15R1.78 CCC#CCC(=O)C=Cc1ccccc1 1458a_100000210462_100009813939 [0,1,0,0,0,0|2,0,1]=4 706 B15R1.78 CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210326 [0,1,0,0,0,0|2,0,0]=3 707 B15R1.78 CCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210326 [0,1,0,0,0,0|3,0,0]=4 708 B15R1.78 CCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210326 [0,1,0,0,0,0|3,0,0]=4 709 B15R1.78 CCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210326 [0,1,0,0,0,0|3,0,0]=4 710 B15R1.78 CCCCNC(=O)C#Cc1ccccc1 240690a_100000102301_100000736102 [0,1,0,0,0,0|1,0,2]=4 711 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 11a_100000102301_100000210462 [0,1,0,0,0,0|1,0,0]=2 712 B15R1.78 CCCCNC(=O)C=Cc1ccccc1 1626a_100000102301_100000210462 [0,1,0,0,0,0|1,0,0]=2 713 B15R1.78 CCCCNC(=O)C=Cc1ccccn1 11a_100000102301_100000740811 [0,1,0,0,0,0|2,0,0]=3 714 B15R1.78 CCCCNC(=O)C=Cc1ccccn1 240690a_100000102301_100000740811 [0,1,0,0,0,0|2,0,0]=3 715 B15R1.78 CCCCNC(=O)C=Cc1cccnc1 11a_100000102301_100000735890 [0,1,0,0,0,0|2,0,0]=3 716 B15R1.78 CCCCNC(=O)C=Cc1cccnc1 240690a_100000102301_100000735890 [0,1,0,0,0,0|2,0,0]=3 717 B15R1.78 CCCCNC(=O)C=Cc1ccncc1 240690a_100000102301_100000682801 [0,1,0,0,0,0|2,0,0]=3 718 B15R1.78 CCCCNC(=O)CCc1ccccc1 11a_100000102301_100000185753 [0,1,0,0,0,0|1,0,2]=4 719 B15R1.78 CCCCNC(=O)CCc1ccccc1 1626a_100000102301_100000185753 [0,1,0,0,0,0|1,0,2]=4 720 B15R1.78 CCCCNC(=O)CCc1ccccc1 240690a_100000102301_100000185753 [0,1,0,0,0,0|1,0,2]=4 721 B15R1.78 CCCCNC(=O)CCc1ccccc1 527a_100000102301_100000185753 [0,1,0,0,0,0|1,0,2]=4 722 B15R1.78 CCCCNC(=O)CNc1ccccc1 34a_100000106764_100000182744 [0,1,0,0,0,0|2,0,1]=4 723 B15R1.78 CCCCNC(=O)COc1ccccc1 11a_100000102301_100000186222 [0,1,0,0,0,0|2,0,1]=4 724 B15R1.78 CCCCNC(=O)COc1ccccc1 1626a_100000102301_100000186222 [0,1,0,0,0,0|2,0,1]=4 725 B15R1.78 CCCCNC(=O)COc1ccccc1 240690a_100000102301_100000186222 [0,1,0,0,0,0|2,0,1]=4 726 B15R1.78 CCCCNC(=O)COc1ccccc1 34a_100000210340_100000182744 [0,1,0,0,0,0|2,0,1]=4 727 B15R1.78 CCCCNC(=O)COc1ccccc1 527a_100000102301_100000186222 [0,1,0,0,0,0|2,0,1]=4 728 B15R1.78 CCCCNC(=O)COc1ccccc1 7a_100000210340_100000182744 [0,1,0,0,0,0|2,0,1]=4 729 B15R1.78 CCCCNC(=O)CSc1ccccc1 11a_100000102301_100000211596 [0,1,0,0,0,0|2,0,1]=4 730 B15R1.78 CCCCNC(=O)CSc1ccccc1 1626a_100000102301_100000211596 [0,1,0,0,0,0|2,0,1]=4 731 B15R1.78 CCCCNC(=O)CSc1ccccc1 240690a_100000102301_100000211596 [0,1,0,0,0,0|2,0,1]=4 732 B15R1.78 CCCCNC(=O)CSc1ccccc1 527a_100000102301_100000211596 [0,1,0,0,0,0|2,0,1]=4 733 B15R1.78 CCCCNC(=O)CSc1ccccc1 62a_100000182744_100000041952 [0,1,0,0,0,0|2,0,1]=4 734 B15R1.78 CCCCNC(=O)CSc1ccccc1 62a_100000719477_100000182744 [0,1,0,0,0,0|2,0,1]=4 735 B15R1.78 CCCCNC(=O)NCc1ccccc1 2708a_100000102301_100015324214 [0,1,0,0,0,0|2,0,1]=4 736 B15R1.78 CCCCNC(=O)NCc1ccccc1 2708a_100015324214_100000102301 [0,1,0,0,0,0|2,0,1]=4 737 B15R1.78 CCCCNC(=O)NCc1ccccc1 273464a_100000102301_100015324214 [0,1,0,0,0,0|2,0,1]=4 738 B15R1.78 CCCCNC(=O)NCc1ccccc1 273464a_100015324214_100000102301 [0,1,0,0,0,0|2,0,1]=4 739 B15R1.78 CCCCNC(=O)NCc1ccccc1 512a_100000102301_100015324214 [0,1,0,0,0,0|2,0,1]=4 740 B15R1.78 CCCCNC(=O)NCc1ccccc1 512a_100015324214_100000102301 [0,1,0,0,0,0|2,0,1]=4 741 B15R1.78 CCCCNC(=O)NNc1ccccc1 273464a_100000102301_100015195140 [0,1,0,0,0,0|3,0,0]=4 742 B15R1.78 CCCCNC(=O)NNc1ccccc1 512a_100000102301_100015195140 [0,1,0,0,0,0|3,0,0]=4 743 B15R1.78 CCCNCC(=O)NCc1ccccc1 2230a_100000739245_100000210303 [0,1,0,0,0,0|2,0,1]=4 744 B15R1.78 CCCNN=C(C)C=Cc1ccccc1 4a_100000740057_100000204604 [0,1,0,0,0,0|2,0,0]=3 745 B15R1.78 CCCNN=C(C)C=Cc1ccccn1 4a_100000740057_100102710650 [0,1,0,0,0,0|3,0,0]=4 746 B15R1.78 CCCNNC(=O)C#Cc1ccccc1 22a_100000740057_100000736102 [0,1,0,0,0,0|1,0,2]=4 747 B15R1.78 CCCNNC(=O)C=Cc1ccccc1 22a_100000740057_100000210462 [0,1,0,0,0,0|1,0,0]=2 748 B15R1.78 CCCNNC(=O)C=Cc1ccccn1 22a_100000740057_100000740811 [0,1,0,0,0,0|2,0,0]=3 749 B15R1.78 CCCNNC(=O)C=Cc1cccnc1 22a_100000740057_100000735890 [0,1,0,0,0,0|2,0,0]=3 750 B15R1.78 CCCNNC(=O)C=Cc1ccncc1 22a_100000740057_100000682801 [0,1,0,0,0,0|2,0,0]=3 751 B15R1.78 CCCNNC(=O)CCc1ccccc1 22a_100000740057_100000185753 [0,1,0,0,0,0|1,0,2]=4 752 B15R1.78 CCCNNC(=O)COc1ccccc1 22a_100000740057_100000186222 [0,1,0,0,0,0|2,0,1]=4 753 B15R1.78 CCCNNC(=O)CSc1ccccc1 22a_100000740057_100000211596 [0,1,0,0,0,0|2,0,1]=4 754 B15R1.78 CCCNNC(=O)NCc1ccccc1 273464a_100015324214_100000740057 [0,1,0,0,0,0|2,0,1]=4 755 B15R1.78 CCCNNC(=O)NCc1ccccc1 512a_100000740057_100015324214 [0,1,0,0,0,0|2,0,1]=4 756 B15R1.78 CCCNNC(=O)NCc1ccccc1 512a_100015324214_100000740057 [0,1,0,0,0,0|2,0,1]=4 757 B15R1.78 CCCNNC(=O)NNc1ccccc1 512a_100000740057_100015195140 [0,1,0,0,0,0|3,0,0]=4 758 B15R1.78 CCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215890 [0,1,0,0,0,0|2,0,0]=3 759 B15R1.78 CCOCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215890 [0,1,0,0,0,0|3,0,0]=4 760 B15R1.78 CCOCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215890 [0,1,0,0,0,0|3,0,0]=4 761 B15R1.78 CCOCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215890 [0,1,0,0,0,0|3,0,0]=4 762 B15R1.78 CCSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000757381 [0,1,0,0,0,0|2,0,0]=3 763 B15R1.78 CCSCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000757381 [0,1,0,0,0,0|3,0,0]=4 764 B15R1.78 CCSCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000757381 [0,1,0,0,0,0|3,0,0]=4 765 B15R1.78 CCSCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000757381 [0,1,0,0,0,0|3,0,0]=4 766 B15R1.78 CNCCNC(=O)OCc1ccccc1 2230a_106832991635_100012357035 [0,1,0,0,0,0|2,0,1]=4 767 B15R1.78 CNCCNC(=O)OCc1ccccc1 7a_106832991635_100012357035 [0,1,0,0,0,0|2,0,1]=4 768 B15R1.78 COCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000740836 [0,1,0,0,0,0|1,0,2]=4 769 B15R1.78 COCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000740836 [0,1,0,0,0,0|1,0,0]=2 770 B15R1.78 COCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000740836 [0,1,0,0,0,0|2,0,0]=3 771 B15R1.78 COCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000740836 [0,1,0,0,0,0|2,0,0]=3 772 B15R1.78 COCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000740836 [0,1,0,0,0,0|2,0,0]=3 773 B15R1.78 COCCCC(=O)CCc1ccccc1 1458a_100000185753_100000740836 [0,1,0,0,0,0|1,0,2]=4 774 B15R1.78 COCCCC(=O)CCc1ccccc1 1458a_100000741012_100000765856 [0,1,0,0,0,0|1,0,2]=4 775 B15R1.78 COCCCC(=O)COc1ccccc1 1458a_100000186222_100000740836 [0,1,0,0,0,0|2,0,1]=4 776 B15R1.78 COCCCC(=O)CSc1ccccc1 1458a_100000211596_100000740836 [0,1,0,0,0,0|2,0,1]=4 777 B15R1.78 COCCCC(=O)NCc1ccccc1 11a_100015324214_100000741012 [0,1,0,0,0,0|2,0,1]=4 778 B15R1.78 COCCCC(=O)NCc1ccccc1 1626a_100015324214_100000741012 [0,1,0,0,0,0|2,0,1]=4 779 B15R1.78 COCCCC(=O)NCc1ccccc1 240690a_100015324214_100000741012 [0,1,0,0,0,0|2,0,1]=4 780 B15R1.78 COCCCC(=O)NCc1ccccc1 527a_100015324214_100000741012 [0,1,0,0,0,0|2,0,1]=4 781 B15R1.78 COCCCC(=O)NNc1ccccc1 22a_100015195140_100000741012 [0,1,0,0,0,0|3,0,0]=4 782 B15R1.78 COCCCC(=O)OCc1ccccc1 34a_100138415774_100009813218 [0,1,0,0,0,0|2,0,1]=4 783 B15R1.78 COCCCC(=O)OCc1ccccc1 7a_100009831633_200000210301 [0,1,0,0,0,0|2,0,1]=4 784 B15R1.78 COCCNC(=O)C#Cc1ccccc1 240690a_100000209980_100000736102 [0,1,0,0,0,0|0,0,2]=3 785 B15R1.78 COCCNC(=O)C=Cc1ccccc1 1626a_100000209980_100000210462 [0,1,0,0,0,0|0,0,0]=1 786 B15R1.78 COCCNC(=O)C=Cc1ccccn1 240690a_100000209980_100000740811 [0,1,0,0,0,0|1,0,0]=2 787 B15R1.78 COCCNC(=O)C=Cc1cccnc1 240690a_100000209980_100000735890 [0,1,0,0,0,0|1,0,0]=2 788 B15R1.78 COCCNC(=O)C=Cc1ccncc1 240690a_100000209980_100000682801 [0,1,0,0,0,0|1,0,0]=2 789 B15R1.78 COCCNC(=O)CCc1ccccc1 1626a_100000209980_100000185753 [0,1,0,0,0,0|0,0,2]=3 790 B15R1.78 COCCNC(=O)CCc1ccccc1 240690a_100000209980_100000185753 [0,1,0,0,0,0|0,0,2]=3 791 B15R1.78 COCCNC(=O)CCc1ccccc1 527a_100000209980_100000185753 [0,1,0,0,0,0|0,0,2]=3 792 B15R1.78 COCCNC(=O)CCc1ccccn1 240690a_100000209980_100015195070 [0,1,0,0,0,0|1,0,2]=4 793 B15R1.78 COCCNC(=O)CCc1ccccn1 527a_100000209980_100015195070 [0,1,0,0,0,0|1,0,2]=4 794 B15R1.78 COCCNC(=O)CCc1cccnc1 1626a_100000209980_100000198484 [0,1,0,0,0,0|1,0,2]=4 795 B15R1.78 COCCNC(=O)CCc1cccnc1 240690a_100000209980_100000198484 [0,1,0,0,0,0|1,0,2]=4 796 B15R1.78 COCCNC(=O)CCc1cccnc1 527a_100000209980_100000198484 [0,1,0,0,0,0|1,0,2]=4 797 B15R1.78 COCCNC(=O)CCc1ccncc1 240690a_100000209980_100011225043 [0,1,0,0,0,0|1,0,2]=4 798 B15R1.78 COCCNC(=O)CCc1ccncc1 527a_100000209980_100011225043 [0,1,0,0,0,0|1,0,2]=4 799 B15R1.78 COCCNC(=O)CNc1ccccc1 34a_100000106764_100000183275 [0,1,0,0,0,0|1,0,1]=3 800 B15R1.78 COCCNC(=O)COc1ccccc1 1626a_100000209980_100000186222 [0,1,0,0,0,0|1,0,1]=3 801 B15R1.78 COCCNC(=O)COc1ccccc1 240690a_100000209980_100000186222 [0,1,0,0,0,0|1,0,1]=3 802 B15R1.78 COCCNC(=O)COc1ccccc1 34a_100000210340_100000183275 [0,1,0,0,0,0|1,0,1]=3 803 B15R1.78 COCCNC(=O)COc1ccccc1 527a_100000209980_100000186222 [0,1,0,0,0,0|1,0,1]=3 804 B15R1.78 COCCNC(=O)COc1ccccc1 7a_100000210340_100000183275 [0,1,0,0,0,0|1,0,1]=3 805 B15R1.78 COCCNC(=O)COc1ccccn1 1626a_100000209980_100102699861 [0,1,0,0,0,0|2,0,1]=4 806 B15R1.78 COCCNC(=O)COc1ccccn1 240690a_100000209980_100102699861 [0,1,0,0,0,0|2,0,1]=4 807 B15R1.78 COCCNC(=O)COc1ccccn1 527a_100000209980_100102699861 [0,1,0,0,0,0|2,0,1]=4 808 B15R1.78 COCCNC(=O)COc1cccnc1 1626a_100000209980_100015207166 [0,1,0,0,0,0|2,0,1]=4 809 B15R1.78 COCCNC(=O)COc1cccnc1 240690a_100000209980_100015207166 [0,1,0,0,0,0|2,0,1]=4 810 B15R1.78 COCCNC(=O)COc1cccnc1 34a_100000210849_100000183275 [0,1,0,0,0,0|2,0,1]=4 811 B15R1.78 COCCNC(=O)COc1cccnc1 527a_100000209980_100015207166 [0,1,0,0,0,0|2,0,1]=4 812 B15R1.78 COCCNC(=O)COc1cccnc1 7a_100000210849_100000183275 [0,1,0,0,0,0|2,0,1]=4 813 B15R1.78 COCCNC(=O)COc1ccncc1 34a_100000212176_100000183275 [0,1,0,0,0,0|2,0,1]=4 814 B15R1.78 COCCNC(=O)CSc1ccccc1 1626a_100000209980_100000211596 [0,1,0,0,0,0|1,0,1]=3 815 B15R1.78 COCCNC(=O)CSc1ccccc1 240690a_100000209980_100000211596 [0,1,0,0,0,0|1,0,1]=3 816 B15R1.78 COCCNC(=O)CSc1ccccc1 527a_100000209980_100000211596 [0,1,0,0,0,0|1,0,1]=3 817 B15R1.78 COCCNC(=O)CSc1ccccc1 62a_100000183275_100000041952 [0,1,0,0,0,0|1,0,1]=3 818 B15R1.78 COCCNC(=O)CSc1ccccc1 62a_100000719477_100000183275 [0,1,0,0,0,0|1,0,1]=3 819 B15R1.78 COCCNC(=O)CSc1ccccn1 240690a_100000209980_100000156281 [0,1,0,0,0,0|2,0,1]=4 820 B15R1.78 COCCNC(=O)CSc1ccccn1 527a_100000209980_100000156281 [0,1,0,0,0,0|2,0,1]=4 821 B15R1.78 COCCNC(=O)CSc1ccccn1 62a_100000183275_100011216584 [0,1,0,0,0,0|2,0,1]=4 822 B15R1.78 COCCNC(=O)CSc1ccccn1 62a_100011216584_100000183275 [0,1,0,0,0,0|2,0,1]=4 823 B15R1.78 COCCNC(=O)CSc1cccnc1 62a_100000183275_100000210063 [0,1,0,0,0,0|2,0,1]=4 824 B15R1.78 COCCNC(=O)CSc1cccnc1 62a_100000210063_100000183275 [0,1,0,0,0,0|2,0,1]=4 825 B15R1.78 COCCNC(=O)CSc1ccncc1 1626a_100000209980_100000211328 [0,1,0,0,0,0|2,0,1]=4 826 B15R1.78 COCCNC(=O)CSc1ccncc1 240690a_100000209980_100000211328 [0,1,0,0,0,0|2,0,1]=4 827 B15R1.78 COCCNC(=O)CSc1ccncc1 527a_100000209980_100000211328 [0,1,0,0,0,0|2,0,1]=4 828 B15R1.78 COCCNC(=O)CSc1ccncc1 62a_100000183275_100000728582 [0,1,0,0,0,0|2,0,1]=4 829 B15R1.78 COCCNC(=O)CSc1ccncc1 62a_100000728582_100000183275 [0,1,0,0,0,0|2,0,1]=4 830 B15R1.78 COCCNC(=O)NCc1ccccc1 2708a_100015324214_100000209980 [0,1,0,0,0,0|1,0,1]=3 831 B15R1.78 COCCNC(=O)NCc1ccccc1 273464a_100000209980_100015324214 [0,1,0,0,0,0|1,0,1]=3 832 B15R1.78 COCCNC(=O)NCc1ccccc1 273464a_100015324214_100000209980 [0,1,0,0,0,0|1,0,1]=3 833 B15R1.78 COCCNC(=O)NCc1ccccn1 2708a_100000210449_100000209980 [0,1,0,0,0,0|2,0,1]=4 834 B15R1.78 COCCNC(=O)NCc1ccccn1 273464a_100000209980_100000210449 [0,1,0,0,0,0|2,0,1]=4 835 B15R1.78 COCCNC(=O)NCc1ccccn1 273464a_100000210449_100000209980 [0,1,0,0,0,0|2,0,1]=4 836 B15R1.78 COCCNC(=O)NCc1cccnc1 2708a_100000210453_100000209980 [0,1,0,0,0,0|2,0,1]=4 837 B15R1.78 COCCNC(=O)NCc1cccnc1 273464a_100000209980_100000210453 [0,1,0,0,0,0|2,0,1]=4 838 B15R1.78 COCCNC(=O)NCc1cccnc1 273464a_100000210453_100000209980 [0,1,0,0,0,0|2,0,1]=4 839 B15R1.78 COCCNC(=O)NCc1ccncc1 2708a_100000210450_100000209980 [0,1,0,0,0,0|2,0,1]=4 840 B15R1.78 COCCNC(=O)NCc1ccncc1 273464a_100000209980_100000210450 [0,1,0,0,0,0|2,0,1]=4 841 B15R1.78 COCCNC(=O)NCc1ccncc1 273464a_100000210450_100000209980 [0,1,0,0,0,0|2,0,1]=4 842 B15R1.78 COCCNC(=O)NNc1ccccc1 273464a_100000209980_100015195140 [0,1,0,0,0,0|2,0,0]=3 843 B15R1.78 COCCNC(=O)NNc1ccccn1 273464a_100000209980_100000183288 [0,1,0,0,0,0|3,0,0]=4 844 B15R1.78 COCCNC(=O)NNc1cccnc1 273464a_100000209980_100000728903 [0,1,0,0,0,0|3,0,0]=4 845 B15R1.78 COCCNC(=O)NNc1ccncc1 273464a_100000209980_100000698918 [0,1,0,0,0,0|3,0,0]=4 846 B15R1.78 COCCNC(=O)OCc1ccccc1 34a_100000159002_200000210301 [0,1,0,0,0,0|1,0,1]=3 847 B15R1.78 COCCNC(=O)OCc1ccccc1 7a_100000159002_200000210301 [0,1,0,0,0,0|1,0,1]=3 848 B15R1.78 COCCOC(=O)CNc1ccccc1 34a_100000106764_200000040189 [0,1,0,0,0,0|2,0,1]=4 849 B15R1.78 COCCOC(=O)COc1ccccc1 34a_100000210340_200000040189 [0,1,0,0,0,0|2,0,1]=4 850 B15R1.78 COCCOC(=O)COc1ccccc1 7a_100000210340_200000040189 [0,1,0,0,0,0|2,0,1]=4 851 B15R1.78 COCCOC(=O)CSc1ccccc1 62a_100000719477_200000040189 [0,1,0,0,0,0|2,0,1]=4 852 B15R1.78 COCCOC(=O)CSc1ccccc1 62a_200000040189_100000041952 [0,1,0,0,0,0|2,0,1]=4 853 B15R1.78 CSCCNC(=O)C#Cc1ccccc1 240690a_100020590264_100000736102 [0,1,0,0,0,0|0,1,2]=4 854 B15R1.78 CSCCNC(=O)C=Cc1ccccc1 11a_100020590264_100000210462 [0,1,0,0,0,0|0,1,0]=2 855 B15R1.78 CSCCNC(=O)C=Cc1ccccc1 1626a_100020590264_100000210462 [0,1,0,0,0,0|0,1,0]=2 856 B15R1.78 CSCCNC(=O)C=Cc1ccccn1 11a_100020590264_100000740811 [0,1,0,0,0,0|1,1,0]=3 857 B15R1.78 CSCCNC(=O)C=Cc1ccccn1 240690a_100020590264_100000740811 [0,1,0,0,0,0|1,1,0]=3 858 B15R1.78 CSCCNC(=O)C=Cc1cccnc1 11a_100020590264_100000735890 [0,1,0,0,0,0|1,1,0]=3 859 B15R1.78 CSCCNC(=O)C=Cc1cccnc1 240690a_100020590264_100000735890 [0,1,0,0,0,0|1,1,0]=3 860 B15R1.78 CSCCNC(=O)C=Cc1ccncc1 240690a_100020590264_100000682801 [0,1,0,0,0,0|1,1,0]=3 861 B15R1.78 CSCCNC(=O)CCc1ccccc1 11a_100020590264_100000185753 [0,1,0,0,0,0|0,1,2]=4 862 B15R1.78 CSCCNC(=O)CCc1ccccc1 1626a_100020590264_100000185753 [0,1,0,0,0,0|0,1,2]=4 863 B15R1.78 CSCCNC(=O)CCc1ccccc1 240690a_100020590264_100000185753 [0,1,0,0,0,0|0,1,2]=4 864 B15R1.78 CSCCNC(=O)CCc1ccccc1 527a_100020590264_100000185753 [0,1,0,0,0,0|0,1,2]=4 865 B15R1.78 CSCCNC(=O)COc1ccccc1 11a_100020590264_100000186222 [0,1,0,0,0,0|1,1,1]=4 866 B15R1.78 CSCCNC(=O)COc1ccccc1 1626a_100020590264_100000186222 [0,1,0,0,0,0|1,1,1]=4 867 B15R1.78 CSCCNC(=O)COc1ccccc1 240690a_100020590264_100000186222 [0,1,0,0,0,0|1,1,1]=4 868 B15R1.78 CSCCNC(=O)COc1ccccc1 527a_100020590264_100000186222 [0,1,0,0,0,0|1,1,1]=4 869 B15R1.78 CSCCNC(=O)CSc1ccccc1 11a_100020590264_100000211596 [0,1,0,0,0,0|1,1,1]=4 870 B15R1.78 CSCCNC(=O)CSc1ccccc1 1626a_100020590264_100000211596 [0,1,0,0,0,0|1,1,1]=4 871 B15R1.78 CSCCNC(=O)CSc1ccccc1 240690a_100020590264_100000211596 [0,1,0,0,0,0|1,1,1]=4 872 B15R1.78 CSCCNC(=O)CSc1ccccc1 527a_100020590264_100000211596 [0,1,0,0,0,0|1,1,1]=4 873 B15R1.78 CSCCNC(=O)NCc1ccccc1 2708a_100015324214_100020590264 [0,1,0,0,0,0|1,1,1]=4 874 B15R1.78 CSCCNC(=O)NCc1ccccc1 2708a_100020590264_100015324214 [0,1,0,0,0,0|1,1,1]=4 875 B15R1.78 CSCCNC(=O)NCc1ccccc1 273464a_100015324214_100020590264 [0,1,0,0,0,0|1,1,1]=4 876 B15R1.78 CSCCNC(=O)NCc1ccccc1 273464a_100020590264_100015324214 [0,1,0,0,0,0|1,1,1]=4 877 B15R1.78 CSCCNC(=O)NCc1ccccc1 512a_100015324214_100020590264 [0,1,0,0,0,0|1,1,1]=4 878 B15R1.78 CSCCNC(=O)NCc1ccccc1 512a_100020590264_100015324214 [0,1,0,0,0,0|1,1,1]=4 879 B15R1.78 CSCCNC(=O)NNc1ccccc1 273464a_100020590264_100015195140 [0,1,0,0,0,0|2,1,0]=4 880 B15R1.78 CSCCNC(=O)NNc1ccccc1 512a_100020590264_100015195140 [0,1,0,0,0,0|2,1,0]=4 881 B15R1.78 CSCCNC(=O)OCc1ccccc1 62a_100012357035_200000210301 [0,1,0,0,0,0|1,1,1]=4 882 B15R1.78 CSCCNC(=O)OCc1ccccc1 62a_200000210301_100012357035 [0,1,0,0,0,0|1,1,1]=4 883 B15R1.78 N#CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000211468 [0,1,0,0,0,0|2,0,0]=3 884 B15R1.78 N#CCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000211468 [0,1,0,0,0,0|3,0,0]=4 885 B15R1.78 N#CCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000211468 [0,1,0,0,0,0|3,0,0]=4 886 B15R1.78 N#CCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000211468 [0,1,0,0,0,0|3,0,0]=4 887 B15R1.78 N#CCCNC(=O)C#Cc1ccccc1 240690a_100000720768_100000736102 [0,1,0,0,0,0|1,0,2]=4 888 B15R1.78 N#CCCNC(=O)C=Cc1ccccc1 11a_100000720768_100000210462 [0,1,0,0,0,0|1,0,0]=2 889 B15R1.78 N#CCCNC(=O)C=Cc1ccccc1 1626a_100000720768_100000210462 [0,1,0,0,0,0|1,0,0]=2 890 B15R1.78 N#CCCNC(=O)C=Cc1ccccn1 11a_100000720768_100000740811 [0,1,0,0,0,0|2,0,0]=3 891 B15R1.78 N#CCCNC(=O)C=Cc1ccccn1 240690a_100000720768_100000740811 [0,1,0,0,0,0|2,0,0]=3 892 B15R1.78 N#CCCNC(=O)C=Cc1cccnc1 11a_100000720768_100000735890 [0,1,0,0,0,0|2,0,0]=3 893 B15R1.78 N#CCCNC(=O)C=Cc1cccnc1 240690a_100000720768_100000735890 [0,1,0,0,0,0|2,0,0]=3 894 B15R1.78 N#CCCNC(=O)C=Cc1ccncc1 240690a_100000720768_100000682801 [0,1,0,0,0,0|2,0,0]=3 895 B15R1.78 N#CCCNC(=O)CCc1ccccc1 11a_100000720768_100000185753 [0,1,0,0,0,0|1,0,2]=4 896 B15R1.78 N#CCCNC(=O)CCc1ccccc1 1626a_100000720768_100000185753 [0,1,0,0,0,0|1,0,2]=4 897 B15R1.78 N#CCCNC(=O)CCc1ccccc1 240690a_100000720768_100000185753 [0,1,0,0,0,0|1,0,2]=4 898 B15R1.78 N#CCCNC(=O)CCc1ccccc1 527a_100000720768_100000185753 [0,1,0,0,0,0|1,0,2]=4 899 B15R1.78 N#CCCNC(=O)COc1ccccc1 11a_100000720768_100000186222 [0,1,0,0,0,0|2,0,1]=4 900 B15R1.78 N#CCCNC(=O)COc1ccccc1 1626a_100000720768_100000186222 [0,1,0,0,0,0|2,0,1]=4 901 B15R1.78 N#CCCNC(=O)COc1ccccc1 240690a_100000720768_100000186222 [0,1,0,0,0,0|2,0,1]=4 902 B15R1.78 N#CCCNC(=O)COc1ccccc1 527a_100000720768_100000186222 [0,1,0,0,0,0|2,0,1]=4 903 B15R1.78 N#CCCNC(=O)CSc1ccccc1 11a_100000720768_100000211596 [0,1,0,0,0,0|2,0,1]=4 904 B15R1.78 N#CCCNC(=O)CSc1ccccc1 1626a_100000720768_100000211596 [0,1,0,0,0,0|2,0,1]=4 905 B15R1.78 N#CCCNC(=O)CSc1ccccc1 240690a_100000720768_100000211596 [0,1,0,0,0,0|2,0,1]=4 906 B15R1.78 N#CCCNC(=O)CSc1ccccc1 527a_100000720768_100000211596 [0,1,0,0,0,0|2,0,1]=4 907 B15R1.78 N#CCCNC(=O)NCc1ccccc1 2708a_100000720768_100015324214 [0,1,0,0,0,0|2,0,1]=4 908 B15R1.78 N#CCCNC(=O)NCc1ccccc1 2708a_100015324214_100000720768 [0,1,0,0,0,0|2,0,1]=4 909 B15R1.78 N#CCCNC(=O)NCc1ccccc1 273464a_100000720768_100015324214 [0,1,0,0,0,0|2,0,1]=4 910 B15R1.78 N#CCCNC(=O)NCc1ccccc1 273464a_100015324214_100000720768 [0,1,0,0,0,0|2,0,1]=4 911 B15R1.78 N#CCCNC(=O)NCc1ccccc1 512a_100000720768_100015324214 [0,1,0,0,0,0|2,0,1]=4 912 B15R1.78 N#CCCNC(=O)NCc1ccccc1 512a_100015324214_100000720768 [0,1,0,0,0,0|2,0,1]=4 913 B15R1.78 N#CCCNC(=O)NNc1ccccc1 273464a_100000720768_100015195140 [0,1,0,0,0,0|3,0,0]=4 914 B15R1.78 N#CCCNC(=O)NNc1ccccc1 512a_100000720768_100015195140 [0,1,0,0,0,0|3,0,0]=4 915 B15R1.78 O=C(C#Cc1ccccc1)CCCCO 1458a_100000736102_100000210776 [0,1,0,0,0,0|1,0,2]=4 916 B15R1.78 O=C(C#Cc1ccccc1)NCCCF 240690a_100015189416_100000736102 [0,1,0,0,0,0|1,0,2]=4 917 B15R1.78 O=C(C#Cc1ccccc1)NCCCO 240690a_100000182051_100000736102 [0,1,0,0,0,0|0,0,2]=3 918 B15R1.78 O=C(C#Cc1ccccc1)NNCCO 22a_100000210001_100000736102 [0,1,0,0,0,0|0,0,2]=3 919 B15R1.78 O=C(C#Cc1ccccn1)NNCCO 22a_100000210001_102125277312 [0,1,0,0,0,0|1,0,2]=4 920 B15R1.78 O=C(C=Cc1ccccc1)CC#CCO 1458a_100000210462_200000047223 [0,1,0,0,0,0|1,0,1]=3 921 B15R1.78 O=C(C=Cc1ccccc1)CCCCF 1458a_100000210462_100000729493 [0,1,0,0,0,0|2,0,0]=3 922 B15R1.78 O=C(C=Cc1ccccc1)CCCCO 1458a_100000210462_100000210776 [0,1,0,0,0,0|1,0,0]=2 923 B15R1.78 O=C(C=Cc1ccccc1)NCCCF 11a_100015189416_100000210462 [0,1,0,0,0,0|1,0,0]=2 924 B15R1.78 O=C(C=Cc1ccccc1)NCCCF 1626a_100015189416_100000210462 [0,1,0,0,0,0|1,0,0]=2 925 B15R1.78 O=C(C=Cc1ccccc1)NNCCO 22a_100000210001_100000210462 [0,1,0,0,0,0|0,0,0]=1 926 B15R1.78 O=C(C=Cc1ccccn1)CC#CCO 1458a_100000740811_200000047223 [0,1,0,0,0,0|2,0,1]=4 927 B15R1.78 O=C(C=Cc1ccccn1)CCCCF 1458a_100000740811_100000729493 [0,1,0,0,0,0|3,0,0]=4 928 B15R1.78 O=C(C=Cc1ccccn1)CCCCO 1458a_100000740811_100000210776 [0,1,0,0,0,0|2,0,0]=3 929 B15R1.78 O=C(C=Cc1ccccn1)NCCCF 11a_100015189416_100000740811 [0,1,0,0,0,0|2,0,0]=3 930 B15R1.78 O=C(C=Cc1ccccn1)NCCCF 240690a_100015189416_100000740811 [0,1,0,0,0,0|2,0,0]=3 931 B15R1.78 O=C(C=Cc1ccccn1)NCCCO 240690a_100000182051_100000740811 [0,1,0,0,0,0|1,0,0]=2 932 B15R1.78 O=C(C=Cc1ccccn1)NNCCO 22a_100000210001_100000740811 [0,1,0,0,0,0|1,0,0]=2 933 B15R1.78 O=C(C=Cc1cccnc1)CC#CCO 1458a_100000735890_200000047223 [0,1,0,0,0,0|2,0,1]=4 934 B15R1.78 O=C(C=Cc1cccnc1)CCCCF 1458a_100000735890_100000729493 [0,1,0,0,0,0|3,0,0]=4 935 B15R1.78 O=C(C=Cc1cccnc1)CCCCO 1458a_100000735890_100000210776 [0,1,0,0,0,0|2,0,0]=3 936 B15R1.78 O=C(C=Cc1cccnc1)NCCCF 11a_100015189416_100000735890 [0,1,0,0,0,0|2,0,0]=3 937 B15R1.78 O=C(C=Cc1cccnc1)NCCCF 240690a_100015189416_100000735890 [0,1,0,0,0,0|2,0,0]=3 938 B15R1.78 O=C(C=Cc1cccnc1)NCCCO 240690a_100000182051_100000735890 [0,1,0,0,0,0|1,0,0]=2 939 B15R1.78 O=C(C=Cc1cccnc1)NNCCO 22a_100000210001_100000735890 [0,1,0,0,0,0|1,0,0]=2 940 B15R1.78 O=C(C=Cc1ccncc1)CC#CCO 1458a_100000682801_200000047223 [0,1,0,0,0,0|2,0,1]=4 941 B15R1.78 O=C(C=Cc1ccncc1)CCCCF 1458a_100000682801_100000729493 [0,1,0,0,0,0|3,0,0]=4 942 B15R1.78 O=C(C=Cc1ccncc1)CCCCO 1458a_100000682801_100000210776 [0,1,0,0,0,0|2,0,0]=3 943 B15R1.78 O=C(C=Cc1ccncc1)NCCCF 240690a_100015189416_100000682801 [0,1,0,0,0,0|2,0,0]=3 944 B15R1.78 O=C(C=Cc1ccncc1)NCCCO 240690a_100000182051_100000682801 [0,1,0,0,0,0|1,0,0]=2 945 B15R1.78 O=C(C=Cc1ccncc1)NNCCO 22a_100000210001_100000682801 [0,1,0,0,0,0|1,0,0]=2 946 B15R1.78 O=C(CCCCO)CCc1ccccc1 1458a_100000185753_100000210776 [0,1,0,0,0,0|1,0,2]=4 947 B15R1.78 O=C(CCCCO)CCc1ccccc1 1458a_100000695505_100000765856 [0,1,0,0,0,0|1,0,2]=4 948 B15R1.78 O=C(CCCCO)COc1ccccc1 1458a_100000186222_100000210776 [0,1,0,0,0,0|2,0,1]=4 949 B15R1.78 O=C(CCCCO)CSc1ccccc1 1458a_100000211596_100000210776 [0,1,0,0,0,0|2,0,1]=4 950 B15R1.78 O=C(CCCCO)NCc1ccccc1 1626a_100015324214_100000695505 [0,1,0,0,0,0|2,0,1]=4 951 B15R1.78 O=C(CCc1ccccc1)CNCCF 34a_100000724931_100012361361 [0,1,0,0,0,0|1,0,2]=4 952 B15R1.78 O=C(CCc1ccccc1)CNCCO 2230a_100016997473_100012361361 [0,1,0,0,0,0|0,0,2]=3 953 B15R1.78 O=C(CCc1ccccc1)CNCCO 34a_100016990907_100012361361 [0,1,0,0,0,0|0,0,2]=3 954 B15R1.78 O=C(CCc1ccccc1)COCCO 1458a_100000708028_100000765856 [0,1,0,0,0,0|1,0,2]=4 955 B15R1.78 O=C(CCc1ccccc1)CSCCO 62a_100000211926_100012361361 [0,1,0,0,0,0|1,0,2]=4 956 B15R1.78 O=C(CCc1ccccc1)CSCCO 62a_100012361361_100000211926 [0,1,0,0,0,0|1,0,2]=4 957 B15R1.78 O=C(CCc1ccccc1)NCCCF 11a_100015189416_100000185753 [0,1,0,0,0,0|1,0,2]=4 958 B15R1.78 O=C(CCc1ccccc1)NCCCF 1626a_100015189416_100000185753 [0,1,0,0,0,0|1,0,2]=4 959 B15R1.78 O=C(CCc1ccccc1)NCCCF 240690a_100015189416_100000185753 [0,1,0,0,0,0|1,0,2]=4 960 B15R1.78 O=C(CCc1ccccc1)NCCCF 527a_100015189416_100000185753 [0,1,0,0,0,0|1,0,2]=4 961 B15R1.78 O=C(CCc1ccccc1)NCCCO 240690a_100000182051_100000185753 [0,1,0,0,0,0|0,0,2]=3 962 B15R1.78 O=C(CCc1ccccc1)NCCCO 527a_100000182051_100000185753 [0,1,0,0,0,0|0,0,2]=3 963 B15R1.78 O=C(CCc1ccccc1)NNCCO 22a_100000210001_100000185753 [0,1,0,0,0,0|0,0,2]=3 964 B15R1.78 O=C(CCc1ccccn1)NCCCO 240690a_100000182051_100015195070 [0,1,0,0,0,0|1,0,2]=4 965 B15R1.78 O=C(CCc1ccccn1)NCCCO 527a_100000182051_100015195070 [0,1,0,0,0,0|1,0,2]=4 966 B15R1.78 O=C(CCc1ccccn1)NNCCO 22a_100000210001_100015195070 [0,1,0,0,0,0|1,0,2]=4 967 B15R1.78 O=C(CCc1cccnc1)NCCCO 240690a_100000182051_100000198484 [0,1,0,0,0,0|1,0,2]=4 968 B15R1.78 O=C(CCc1cccnc1)NCCCO 527a_100000182051_100000198484 [0,1,0,0,0,0|1,0,2]=4 969 B15R1.78 O=C(CCc1cccnc1)NNCCO 22a_100000210001_100000198484 [0,1,0,0,0,0|1,0,2]=4 970 B15R1.78 O=C(CCc1ccncc1)NCCCO 240690a_100000182051_100011225043 [0,1,0,0,0,0|1,0,2]=4 971 B15R1.78 O=C(CCc1ccncc1)NCCCO 527a_100000182051_100011225043 [0,1,0,0,0,0|1,0,2]=4 972 B15R1.78 O=C(CCc1ccncc1)NNCCO 22a_100000210001_100011225043 [0,1,0,0,0,0|1,0,2]=4 973 B15R1.78 O=C(CNCCF)NCc1ccccc1 2230a_100000739245_100011217306 [0,1,0,0,0,0|2,0,1]=4 974 B15R1.78 O=C(CNCCF)NCc1ccccc1 34a_100000724931_100000183539 [0,1,0,0,0,0|2,0,1]=4 975 B15R1.78 O=C(CNCCF)OCc1ccccc1 34a_100000724931_100000753625 [0,1,0,0,0,0|2,0,1]=4 976 B15R1.78 O=C(CNCCO)NCc1ccccc1 2230a_100000739245_100000211926 [0,1,0,0,0,0|1,0,1]=3 977 B15R1.78 O=C(CNCCO)NCc1ccccc1 2230a_100016997473_100000183539 [0,1,0,0,0,0|1,0,1]=3 978 B15R1.78 O=C(CNCCO)NCc1ccccc1 34a_100016990907_100000183539 [0,1,0,0,0,0|1,0,1]=3 979 B15R1.78 O=C(CNCCO)NCc1ccccn1 2230a_100016997473_100000684169 [0,1,0,0,0,0|2,0,1]=4 980 B15R1.78 O=C(CNCCO)NCc1ccccn1 34a_100016990907_100000684169 [0,1,0,0,0,0|2,0,1]=4 981 B15R1.78 O=C(CNCCO)NCc1cccnc1 2230a_100016997473_100000752408 [0,1,0,0,0,0|2,0,1]=4 982 B15R1.78 O=C(CNCCO)NCc1ccncc1 2230a_100016997473_100011243468 [0,1,0,0,0,0|2,0,1]=4 983 B15R1.78 O=C(CNCCO)OCc1ccccc1 2230a_100016997473_100000753625 [0,1,0,0,0,0|1,0,1]=3 984 B15R1.78 O=C(CNCCO)OCc1ccccc1 34a_100016990907_100000753625 [0,1,0,0,0,0|1,0,1]=3 985 B15R1.78 O=C(COCCO)NCc1ccccc1 1626a_100015324214_100000708028 [0,1,0,0,0,0|2,0,1]=4 986 B15R1.78 O=C(COCCO)NCc1ccccc1 240690a_100015324214_100000708028 [0,1,0,0,0,0|2,0,1]=4 987 B15R1.78 O=C(COc1ccccc1)NCCCF 11a_100015189416_100000186222 [0,1,0,0,0,0|2,0,1]=4 988 B15R1.78 O=C(COc1ccccc1)NCCCF 1626a_100015189416_100000186222 [0,1,0,0,0,0|2,0,1]=4 989 B15R1.78 O=C(COc1ccccc1)NCCCF 240690a_100015189416_100000186222 [0,1,0,0,0,0|2,0,1]=4 990 B15R1.78 O=C(COc1ccccc1)NCCCF 527a_100015189416_100000186222 [0,1,0,0,0,0|2,0,1]=4 991 B15R1.78 O=C(COc1ccccc1)NCCCO 240690a_100000182051_100000186222 [0,1,0,0,0,0|1,0,1]=3 992 B15R1.78 O=C(COc1ccccc1)NCCCO 527a_100000182051_100000186222 [0,1,0,0,0,0|1,0,1]=3 993 B15R1.78 O=C(COc1ccccc1)NNCCO 22a_100000210001_100000186222 [0,1,0,0,0,0|1,0,1]=3 994 B15R1.78 O=C(COc1ccccn1)NCCCO 240690a_100000182051_100102699861 [0,1,0,0,0,0|2,0,1]=4 995 B15R1.78 O=C(COc1ccccn1)NCCCO 527a_100000182051_100102699861 [0,1,0,0,0,0|2,0,1]=4 996 B15R1.78 O=C(COc1ccccn1)NNCCO 22a_100000210001_100102699861 [0,1,0,0,0,0|2,0,1]=4 997 B15R1.78 O=C(COc1cccnc1)NCCCO 240690a_100000182051_100015207166 [0,1,0,0,0,0|2,0,1]=4 998 B15R1.78 O=C(COc1cccnc1)NCCCO 527a_100000182051_100015207166 [0,1,0,0,0,0|2,0,1]=4 999 B15R1.78 O=C(COc1cccnc1)NNCCO 22a_100000210001_100015207166 [0,1,0,0,0,0|2,0,1]=4 1000 B15R1.78 O=C(CSCCO)NCc1ccccc1 62a_100000183539_100000211926 [0,1,0,0,0,0|2,0,1]=4 1001 B15R1.78 O=C(CSCCO)NCc1ccccc1 62a_100000211926_100000183539 [0,1,0,0,0,0|2,0,1]=4 1002 B15R1.78 O=C(CSCCO)OCc1ccccc1 62a_100000211926_100000753625 [0,1,0,0,0,0|2,0,1]=4 1003 B15R1.78 O=C(CSCCO)OCc1ccccc1 62a_100000753625_100000211926 [0,1,0,0,0,0|2,0,1]=4 1004 B15R1.78 O=C(CSc1ccccc1)NCCCF 11a_100015189416_100000211596 [0,1,0,0,0,0|2,0,1]=4 1005 B15R1.78 O=C(CSc1ccccc1)NCCCF 1626a_100015189416_100000211596 [0,1,0,0,0,0|2,0,1]=4 1006 B15R1.78 O=C(CSc1ccccc1)NCCCF 240690a_100015189416_100000211596 [0,1,0,0,0,0|2,0,1]=4 1007 B15R1.78 O=C(CSc1ccccc1)NCCCF 527a_100015189416_100000211596 [0,1,0,0,0,0|2,0,1]=4 1008 B15R1.78 O=C(CSc1ccccc1)NCCCO 240690a_100000182051_100000211596 [0,1,0,0,0,0|1,0,1]=3 1009 B15R1.78 O=C(CSc1ccccc1)NCCCO 527a_100000182051_100000211596 [0,1,0,0,0,0|1,0,1]=3 1010 B15R1.78 O=C(CSc1ccccc1)NNCCO 22a_100000210001_100000211596 [0,1,0,0,0,0|1,0,1]=3 1011 B15R1.78 O=C(CSc1ccccn1)NCCCO 240690a_100000182051_100000156281 [0,1,0,0,0,0|2,0,1]=4 1012 B15R1.78 O=C(CSc1ccccn1)NCCCO 527a_100000182051_100000156281 [0,1,0,0,0,0|2,0,1]=4 1013 B15R1.78 O=C(CSc1ccccn1)NNCCO 22a_100000210001_100000156281 [0,1,0,0,0,0|2,0,1]=4 1014 B15R1.78 O=C(CSc1ccncc1)NCCCO 240690a_100000182051_100000211328 [0,1,0,0,0,0|2,0,1]=4 1015 B15R1.78 O=C(CSc1ccncc1)NCCCO 527a_100000182051_100000211328 [0,1,0,0,0,0|2,0,1]=4 1016 B15R1.78 O=C(CSc1ccncc1)NNCCO 22a_100000210001_100000211328 [0,1,0,0,0,0|2,0,1]=4 1017 B15R1.78 O=C(NCCCF)NCc1ccccc1 2708a_100015189416_100015324214 [0,1,0,0,0,0|2,0,1]=4 1018 B15R1.78 O=C(NCCCF)NCc1ccccc1 2708a_100015324214_100015189416 [0,1,0,0,0,0|2,0,1]=4 1019 B15R1.78 O=C(NCCCF)NCc1ccccc1 273464a_100015189416_100015324214 [0,1,0,0,0,0|2,0,1]=4 1020 B15R1.78 O=C(NCCCF)NCc1ccccc1 273464a_100015324214_100015189416 [0,1,0,0,0,0|2,0,1]=4 1021 B15R1.78 O=C(NCCCF)NCc1ccccc1 512a_100015189416_100015324214 [0,1,0,0,0,0|2,0,1]=4 1022 B15R1.78 O=C(NCCCF)NCc1ccccc1 512a_100015324214_100015189416 [0,1,0,0,0,0|2,0,1]=4 1023 B15R1.78 O=C(NCCCF)NNc1ccccc1 273464a_100015189416_100015195140 [0,1,0,0,0,0|3,0,0]=4 1024 B15R1.78 O=C(NCCCF)NNc1ccccc1 512a_100015189416_100015195140 [0,1,0,0,0,0|3,0,0]=4 1025 B15R1.78 O=C(NCCCO)NCc1ccccc1 2708a_100015324214_100000182051 [0,1,0,0,0,0|1,0,1]=3 1026 B15R1.78 O=C(NCCCO)NCc1ccccc1 273464a_100000182051_100015324214 [0,1,0,0,0,0|1,0,1]=3 1027 B15R1.78 O=C(NCCCO)NCc1ccccc1 273464a_100015324214_100000182051 [0,1,0,0,0,0|1,0,1]=3 1028 B15R1.78 O=C(NCCCO)NCc1ccccc1 512a_100015324214_100000182051 [0,1,0,0,0,0|1,0,1]=3 1029 B15R1.78 O=C(NCCCO)NCc1ccccn1 2708a_100000210449_100000182051 [0,1,0,0,0,0|2,0,1]=4 1030 B15R1.78 O=C(NCCCO)NCc1ccccn1 273464a_100000182051_100000210449 [0,1,0,0,0,0|2,0,1]=4 1031 B15R1.78 O=C(NCCCO)NCc1ccccn1 273464a_100000210449_100000182051 [0,1,0,0,0,0|2,0,1]=4 1032 B15R1.78 O=C(NCCCO)NCc1cccnc1 2708a_100000210453_100000182051 [0,1,0,0,0,0|2,0,1]=4 1033 B15R1.78 O=C(NCCCO)NCc1cccnc1 273464a_100000182051_100000210453 [0,1,0,0,0,0|2,0,1]=4 1034 B15R1.78 O=C(NCCCO)NCc1cccnc1 273464a_100000210453_100000182051 [0,1,0,0,0,0|2,0,1]=4 1035 B15R1.78 O=C(NCCCO)NCc1cccnc1 512a_100000210453_100000182051 [0,1,0,0,0,0|2,0,1]=4 1036 B15R1.78 O=C(NCCCO)NCc1ccncc1 2708a_100000210450_100000182051 [0,1,0,0,0,0|2,0,1]=4 1037 B15R1.78 O=C(NCCCO)NCc1ccncc1 273464a_100000182051_100000210450 [0,1,0,0,0,0|2,0,1]=4 1038 B15R1.78 O=C(NCCCO)NCc1ccncc1 273464a_100000210450_100000182051 [0,1,0,0,0,0|2,0,1]=4 1039 B15R1.78 O=C(NCCCO)NNc1ccccc1 273464a_100000182051_100015195140 [0,1,0,0,0,0|2,0,0]=3 1040 B15R1.78 O=C(NCCCO)NNc1ccccn1 273464a_100000182051_100000183288 [0,1,0,0,0,0|3,0,0]=4 1041 B15R1.78 O=C(NCCCO)NNc1cccnc1 273464a_100000182051_100000728903 [0,1,0,0,0,0|3,0,0]=4 1042 B15R1.78 O=C(NCCCO)NNc1ccncc1 273464a_100000182051_100000698918 [0,1,0,0,0,0|3,0,0]=4 1043 B15R1.78 O=C(NCc1ccccc1)NNCCO 273464a_100015324214_100000210001 [0,1,0,0,0,0|1,0,1]=3 1044 B15R1.78 O=C(NCc1ccccc1)NNCCO 512a_100015324214_100000210001 [0,1,0,0,0,0|1,0,1]=3 1045 B15R1.78 O=C(NCc1ccccn1)NNCCO 273464a_100000210449_100000210001 [0,1,0,0,0,0|2,0,1]=4 1046 B15R1.78 O=C(NCc1cccnc1)NNCCO 273464a_100000210453_100000210001 [0,1,0,0,0,0|2,0,1]=4 1047 B15R1.78 O=C(NCc1cccnc1)NNCCO 512a_100000210453_100000210001 [0,1,0,0,0,0|2,0,1]=4 1048 B15R1.78 O=C(NCc1ccncc1)NNCCO 273464a_100000210450_100000210001 [0,1,0,0,0,0|2,0,1]=4 1049 B15R1.78 [13CH3]OCCCC(=O)OCc1ccccc1 7a_100009831633_200025704644 [0,1,0,0,0,0|2,0,1]=4 1050 B15R1.78 [13CH3]OCCNC(=O)OCc1ccccc1 34a_100000159002_200025704644 [0,1,0,0,0,0|1,0,1]=3 1051 B15R1.78 [13CH3]OCCNC(=O)OCc1ccccc1 7a_100000159002_200025704644 [0,1,0,0,0,0|1,0,1]=3 1052 B15R1.78 [13CH3]SCCNC(=O)OCc1ccccc1 62a_100012357035_200025704644 [0,1,0,0,0,0|1,1,1]=4 1053 B15R1.78 [13CH3]SCCNC(=O)OCc1ccccc1 62a_200025704644_100012357035 [0,1,0,0,0,0|1,1,1]=4 1054 B15R1.115 C#CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000753159 [0,1,0,0,0,0|2,0,1]=4 1055 B15R1.115 C#CCNC(=O)C=C(C)c1ccccc1 11a_100000212058_100000743005 [0,1,0,0,0,0|1,0,1]=3 1056 B15R1.115 C#CCNC(=O)C=C(C)c1ccccc1 1626a_100000212058_100000743005 [0,1,0,0,0,0|1,0,1]=3 1057 B15R1.115 C#CCNC(=O)C=C(C)c1ccccc1 240690a_100000212058_100000743005 [0,1,0,0,0,0|1,0,1]=3 1058 B15R1.115 C#CCNC(=O)C=C(C)c1ccccc1 527a_100000212058_100000743005 [0,1,0,0,0,0|1,0,1]=3 1059 B15R1.115 C=CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000754431 [0,1,0,0,0,0|2,0,1]=4 1060 B15R1.115 C=CCNC(=O)C=C(C)c1ccccc1 1626a_100020586998_100000743005 [0,1,0,0,0,0|1,0,1]=3 1061 B15R1.115 C=CCNC(=O)C=C(C)c1ccccc1 240690a_100020586998_100000743005 [0,1,0,0,0,0|1,0,1]=3 1062 B15R1.115 C=CCNC(=O)C=C(C)c1ccccc1 527a_100020586998_100000743005 [0,1,0,0,0,0|1,0,1]=3 1063 B15R1.115 C=CCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183597 [0,1,0,0,0,0|1,0,2]=4 1064 B15R1.115 CC(=CC(=O)CCC#N)c1ccccc1 1458a_100000743005_100011215226 [0,1,0,0,0,0|2,0,1]=4 1065 B15R1.115 CC(=CC(=O)CCCF)c1ccccc1 1458a_100000743005_100011934791 [0,1,0,0,0,0|2,0,0]=3 1066 B15R1.115 CC(=CC(=O)CCCO)c1ccccc1 1458a_100000743005_100011215043 [0,1,0,0,0,0|1,0,0]=2 1067 B15R1.115 CC(=CC(=O)NCC#N)c1ccccc1 1626a_100000734998_100000743005 [0,1,0,0,0,0|1,0,1]=3 1068 B15R1.115 CC(=CC(=O)NCC#N)c1ccccc1 527a_100000734998_100000743005 [0,1,0,0,0,0|1,0,1]=3 1069 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 11a_100000724931_100000743005 [0,1,0,0,0,0|1,0,0]=2 1070 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 1626a_100000724931_100000743005 [0,1,0,0,0,0|1,0,0]=2 1071 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 240690a_100000724931_100000743005 [0,1,0,0,0,0|1,0,0]=2 1072 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 527a_100000724931_100000743005 [0,1,0,0,0,0|1,0,0]=2 1073 B15R1.115 CC(=CC(=O)NCCO)c1ccccc1 240690a_100000210304_100000743005 [0,1,0,0,0,0|0,0,0]=1 1074 B15R1.115 CC(=CC(=O)NCCO)c1ccccc1 527a_100000210304_100000743005 [0,1,0,0,0,0|0,0,0]=1 1075 B15R1.115 CC(CC(=O)CCCO)c1ccccc1 1458a_100000183687_100011215043 [0,1,0,0,0,0|1,0,2]=4 1076 B15R1.115 CC(CC(=O)NCCF)c1ccccc1 11a_100000724931_100000183687 [0,1,0,0,0,0|1,0,2]=4 1077 B15R1.115 CC(CC(=O)NCCF)c1ccccc1 1626a_100000724931_100000183687 [0,1,0,0,0,0|1,0,2]=4 1078 B15R1.115 CC(CC(=O)NCCF)c1ccccc1 240690a_100000724931_100000183687 [0,1,0,0,0,0|1,0,2]=4 1079 B15R1.115 CC(CC(=O)NCCF)c1ccccc1 527a_100000724931_100000183687 [0,1,0,0,0,0|1,0,2]=4 1080 B15R1.115 CC(CC(=O)NCCO)c1ccccc1 240690a_100000210304_100000183687 [0,1,0,0,0,0|0,0,2]=3 1081 B15R1.115 CC(CC(=O)NCCO)c1ccccc1 527a_100000210304_100000183687 [0,1,0,0,0,0|0,0,2]=3 1082 B15R1.115 CC(NC(=O)NCCO)c1ccccn1 2708a_100000181244_100000210304 [0,1,0,0,0,0|2,0,1]=4 1083 B15R1.115 CC(NC(=O)NCCO)c1ccccn1 273464a_100000181244_100000210304 [0,1,0,0,0,0|2,0,1]=4 1084 B15R1.115 CC(NC(=O)NCCO)c1ccccn1 273464a_100000210304_100000181244 [0,1,0,0,0,0|2,0,1]=4 1085 B15R1.115 CC(NC(=O)NCCO)c1ccccn1 512a_100000181244_100000210304 [0,1,0,0,0,0|2,0,1]=4 1086 B15R1.115 CC(NC(=O)NCCO)c1cccnc1 2708a_100000195435_100000210304 [0,1,0,0,0,0|2,0,1]=4 1087 B15R1.115 CC(NC(=O)NCCO)c1cccnc1 273464a_100000195435_100000210304 [0,1,0,0,0,0|2,0,1]=4 1088 B15R1.115 CC(NC(=O)NCCO)c1cccnc1 273464a_100000210304_100000195435 [0,1,0,0,0,0|2,0,1]=4 1089 B15R1.115 CC(NC(=O)NCCO)c1ccncc1 2708a_100000181269_100000210304 [0,1,0,0,0,0|2,0,1]=4 1090 B15R1.115 CC(NC(=O)NCCO)c1ccncc1 273464a_100000181269_100000210304 [0,1,0,0,0,0|2,0,1]=4 1091 B15R1.115 CC(NC(=O)NCCO)c1ccncc1 273464a_100000210304_100000181269 [0,1,0,0,0,0|2,0,1]=4 1092 B15R1.115 CC(NC(=O)NCCO)c1ccncc1 512a_100000181269_100000210304 [0,1,0,0,0,0|2,0,1]=4 1093 B15R1.115 CCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210211 [0,1,0,0,0,0|2,0,0]=3 1094 B15R1.115 CCCCC(=O)CC(=O)c1ccccc1 1458a_100000210183_100000211460 [0,1,0,0,0,0|2,0,1]=4 1095 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 11a_100020643023_100000743005 [0,1,0,0,0,0|1,0,0]=2 1096 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 1626a_100020643023_100000743005 [0,1,0,0,0,0|1,0,0]=2 1097 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 240690a_100020643023_100000743005 [0,1,0,0,0,0|1,0,0]=2 1098 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 527a_100020643023_100000743005 [0,1,0,0,0,0|1,0,0]=2 1099 B15R1.115 CCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183358 [0,1,0,0,0,0|1,0,1]=3 1100 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 11a_100020643023_100000183687 [0,1,0,0,0,0|1,0,2]=4 1101 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 1626a_100020643023_100000183687 [0,1,0,0,0,0|1,0,2]=4 1102 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 240690a_100020643023_100000183687 [0,1,0,0,0,0|1,0,2]=4 1103 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 527a_100020643023_100000183687 [0,1,0,0,0,0|1,0,2]=4 1104 B15R1.115 CCCNC(=O)CC(O)c1ccccc1 240690a_100020643023_100000690199 [0,1,0,0,0,0|1,0,2]=4 1105 B15R1.115 CCCNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183358 [0,1,0,0,0,0|2,0,1]=4 1106 B15R1.115 CCCNC(=O)CN(C)c1ccccc1 240690a_100020643023_100000745425 [0,1,0,0,0,0|2,0,1]=4 1107 B15R1.115 CCCNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183358 [0,1,0,0,0,0|2,0,1]=4 1108 B15R1.115 CCCNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183358 [0,1,0,0,0,0|2,0,1]=4 1109 B15R1.115 CCCNC(=O)CN(C)c1ccccc1 527a_100020643023_100000745425 [0,1,0,0,0,0|2,0,1]=4 1110 B15R1.115 CCCNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100020643023 [0,1,0,0,0,0|2,0,1]=4 1111 B15R1.115 CCCNC(=O)N[C@H](C)c1ccccc1 2708a_100020643023_100000751104 [0,1,0,0,0,0|2,0,1]=4 1112 B15R1.115 CCCNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100020643023 [0,1,0,0,0,0|2,0,1]=4 1113 B15R1.115 CCCNC(=O)N[C@H](C)c1ccccc1 273464a_100020643023_100000751104 [0,1,0,0,0,0|2,0,1]=4 1114 B15R1.115 CCCNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100020643023 [0,1,0,0,0,0|2,0,1]=4 1115 B15R1.115 CCCNC(=O)N[C@H](C)c1ccccc1 512a_100020643023_100000751104 [0,1,0,0,0,0|2,0,1]=4 1116 B15R1.115 CCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_200011215008 [0,1,0,0,0,0|2,0,1]=4 1117 B15R1.115 CCNNC(=O)C=C(C)c1ccccc1 22a_100000756455_100000743005 [0,1,0,0,0,0|2,0,0]=3 1118 B15R1.115 CN(CC(=O)CCCO)c1ccccc1 1458a_100000745425_100011215043 [0,1,0,0,0,0|2,0,1]=4 1119 B15R1.115 CN(CC(=O)NCCF)c1ccccc1 240690a_100000724931_100000745425 [0,1,0,0,0,0|2,0,1]=4 1120 B15R1.115 CN(CC(=O)NCCF)c1ccccc1 527a_100000724931_100000745425 [0,1,0,0,0,0|2,0,1]=4 1121 B15R1.115 CN(CC(=O)NCCO)c1ccccc1 240690a_100000210304_100000745425 [0,1,0,0,0,0|1,0,1]=3 1122 B15R1.115 CN(CC(=O)NCCO)c1ccccc1 527a_100000210304_100000745425 [0,1,0,0,0,0|1,0,1]=3 1123 B15R1.115 COCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000233755 [0,1,0,0,0,0|3,0,0]=4 1124 B15R1.115 CSCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000751147 [0,1,0,0,0,0|3,0,0]=4 1125 B15R1.115 C[C@@H](NC(=O)NCCF)c1ccccc1 2708a_100000751104_100000724931 [0,1,0,0,0,0|2,0,1]=4 1126 B15R1.115 C[C@@H](NC(=O)NCCF)c1ccccc1 273464a_100000724931_100000751104 [0,1,0,0,0,0|2,0,1]=4 1127 B15R1.115 C[C@@H](NC(=O)NCCF)c1ccccc1 273464a_100000751104_100000724931 [0,1,0,0,0,0|2,0,1]=4 1128 B15R1.115 C[C@@H](NC(=O)NCCF)c1ccccc1 512a_100000751104_100000724931 [0,1,0,0,0,0|2,0,1]=4 1129 B15R1.115 C[C@@H](NC(=O)NCCO)c1ccccc1 2708a_100000751104_100000210304 [0,1,0,0,0,0|1,0,1]=3 1130 B15R1.115 C[C@@H](NC(=O)NCCO)c1ccccc1 273464a_100000210304_100000751104 [0,1,0,0,0,0|1,0,1]=3 1131 B15R1.115 C[C@@H](NC(=O)NCCO)c1ccccc1 273464a_100000751104_100000210304 [0,1,0,0,0,0|1,0,1]=3 1132 B15R1.115 C[C@@H](NC(=O)NCCO)c1ccccc1 512a_100000751104_100000210304 [0,1,0,0,0,0|1,0,1]=3 1133 B15R1.115 N#CCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000736037 [0,1,0,0,0,0|1,0,2]=4 1134 B15R1.115 O=C(C#CCO)CC(=O)c1ccccc1 1458a_100000049017_100000211460 [0,1,0,0,0,0|1,0,2]=4 1135 B15R1.115 O=C(CC(O)c1ccccc1)NCCF 240690a_100000724931_100000690199 [0,1,0,0,0,0|1,0,2]=4 1136 B15R1.115 O=C(CC(O)c1ccccc1)NCCO 240690a_100000210304_100000690199 [0,1,0,0,0,0|0,0,2]=3 1137 B15R1.115 O=C(CCCO)CC(O)c1ccccc1 1458a_100000690199_100011215043 [0,1,0,0,0,0|1,0,2]=4 1138 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000753159 [0,1,0,0,0,0|2,0,1]=4 1139 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000753159 [0,1,0,0,0,0|2,0,1]=4 1140 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000753159 [0,1,0,0,0,0|2,0,1]=4 1141 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000753159 [0,1,0,0,0,0|2,0,1]=4 1142 B15R1.127 C#CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000753159 [0,1,0,0,0,0|2,0,1]=4 1143 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Br 11a_100000212058_100016258244 [0,1,0,0,0,0|1,0,1]=3 1144 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Br 1626a_100000212058_100016258244 [0,1,0,0,0,0|1,0,1]=3 1145 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Br 240690a_100000212058_100016258244 [0,1,0,0,0,0|1,0,1]=3 1146 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)C 11a_100000212058_100000690095 [0,1,0,0,0,0|1,0,1]=3 1147 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)C 1626a_100000212058_100000690095 [0,1,0,0,0,0|1,0,1]=3 1148 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)C 240690a_100000212058_100000690095 [0,1,0,0,0,0|1,0,1]=3 1149 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Cl 11a_100000212058_100000184502 [0,1,0,0,0,0|1,0,1]=3 1150 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000212058_100000184502 [0,1,0,0,0,0|1,0,1]=3 1151 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000212058_100000184502 [0,1,0,0,0,0|1,0,1]=3 1152 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)F 11a_100000212058_100000718793 [0,1,0,0,0,0|1,0,1]=3 1153 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)F 1626a_100000212058_100000718793 [0,1,0,0,0,0|1,0,1]=3 1154 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)F 240690a_100000212058_100000718793 [0,1,0,0,0,0|1,0,1]=3 1155 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)I 11a_100000212058_100020647043 [0,1,0,0,0,0|1,0,1]=3 1156 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)I 1626a_100000212058_100020647043 [0,1,0,0,0,0|1,0,1]=3 1157 B15R1.127 C#CCNC(=O)C=Cc1cccc(c1)I 240690a_100000212058_100020647043 [0,1,0,0,0,0|1,0,1]=3 1158 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000754431 [0,1,0,0,0,0|2,0,1]=4 1159 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000762624 [0,1,0,0,0,0|2,0,1]=4 1160 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000754431 [0,1,0,0,0,0|2,0,1]=4 1161 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000754431 [0,1,0,0,0,0|2,0,1]=4 1162 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000754431 [0,1,0,0,0,0|2,0,1]=4 1163 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000762624 [0,1,0,0,0,0|2,0,1]=4 1164 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000754431 [0,1,0,0,0,0|2,0,1]=4 1165 B15R1.127 C=CCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000762624 [0,1,0,0,0,0|2,0,1]=4 1166 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Br 1626a_100020586998_100016258244 [0,1,0,0,0,0|1,0,1]=3 1167 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Br 240690a_100020586998_100016258244 [0,1,0,0,0,0|1,0,1]=3 1168 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)C 1626a_100020586998_100000690095 [0,1,0,0,0,0|1,0,1]=3 1169 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)C 240690a_100020586998_100000690095 [0,1,0,0,0,0|1,0,1]=3 1170 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100020586998_100000184502 [0,1,0,0,0,0|1,0,1]=3 1171 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100020586998_100000184502 [0,1,0,0,0,0|1,0,1]=3 1172 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)F 1626a_100020586998_100000718793 [0,1,0,0,0,0|1,0,1]=3 1173 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)F 240690a_100020586998_100000718793 [0,1,0,0,0,0|1,0,1]=3 1174 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)I 1626a_100020586998_100020647043 [0,1,0,0,0,0|1,0,1]=3 1175 B15R1.127 C=CCNC(=O)C=Cc1cccc(c1)I 240690a_100020586998_100020647043 [0,1,0,0,0,0|1,0,1]=3 1176 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210211 [0,1,0,0,0,0|2,0,0]=3 1177 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000032102 [0,1,0,0,0,0|2,0,0]=3 1178 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210211 [0,1,0,0,0,0|2,0,0]=3 1179 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210211 [0,1,0,0,0,0|2,0,0]=3 1180 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210211 [0,1,0,0,0,0|2,0,0]=3 1181 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000032102 [0,1,0,0,0,0|2,0,0]=3 1182 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210211 [0,1,0,0,0,0|2,0,0]=3 1183 B15R1.127 CCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000032102 [0,1,0,0,0,0|2,0,0]=3 1184 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100000032102 [0,1,0,0,0,0|3,0,0]=4 1185 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100000032102 [0,1,0,0,0,0|3,0,0]=4 1186 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100000032102 [0,1,0,0,0,0|3,0,0]=4 1187 B15R1.127 CCCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100000032102 [0,1,0,0,0,0|3,0,0]=4 1188 B15R1.127 CCCNC(=O)C#Cc1cccc(c1)C 240690a_100020643023_100011892726 [0,1,0,0,0,0|1,0,2]=4 1189 B15R1.127 CCCNC(=O)C#Cc1cccc(c1)Cl 240690a_100020643023_100011892777 [0,1,0,0,0,0|1,0,2]=4 1190 B15R1.127 CCCNC(=O)C#Cc1cccc(c1)F 240690a_100020643023_100011892744 [0,1,0,0,0,0|1,0,2]=4 1191 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Br 11a_100020643023_100016258244 [0,1,0,0,0,0|1,0,0]=2 1192 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Br 1626a_100020643023_100016258244 [0,1,0,0,0,0|1,0,0]=2 1193 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Br 240690a_100020643023_100016258244 [0,1,0,0,0,0|1,0,0]=2 1194 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)C 11a_100020643023_100000690095 [0,1,0,0,0,0|1,0,0]=2 1195 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)C 1626a_100020643023_100000690095 [0,1,0,0,0,0|1,0,0]=2 1196 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)C 240690a_100020643023_100000690095 [0,1,0,0,0,0|1,0,0]=2 1197 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl 11a_100020643023_100000184502 [0,1,0,0,0,0|1,0,0]=2 1198 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100020643023_100000184502 [0,1,0,0,0,0|1,0,0]=2 1199 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100020643023_100000184502 [0,1,0,0,0,0|1,0,0]=2 1200 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)F 11a_100020643023_100000718793 [0,1,0,0,0,0|1,0,0]=2 1201 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)F 1626a_100020643023_100000718793 [0,1,0,0,0,0|1,0,0]=2 1202 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)F 240690a_100020643023_100000718793 [0,1,0,0,0,0|1,0,0]=2 1203 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)I 11a_100020643023_100020647043 [0,1,0,0,0,0|1,0,0]=2 1204 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)I 1626a_100020643023_100020647043 [0,1,0,0,0,0|1,0,0]=2 1205 B15R1.127 CCCNC(=O)C=Cc1cccc(c1)I 240690a_100020643023_100020647043 [0,1,0,0,0,0|1,0,0]=2 1206 B15R1.127 CCCNC(=O)CCc1cccc(c1)Br 11a_100020643023_100000184314 [0,1,0,0,0,0|1,0,2]=4 1207 B15R1.127 CCCNC(=O)CCc1cccc(c1)Br 1626a_100020643023_100000184314 [0,1,0,0,0,0|1,0,2]=4 1208 B15R1.127 CCCNC(=O)CCc1cccc(c1)Br 240690a_100020643023_100000184314 [0,1,0,0,0,0|1,0,2]=4 1209 B15R1.127 CCCNC(=O)CCc1cccc(c1)Br 527a_100020643023_100000184314 [0,1,0,0,0,0|1,0,2]=4 1210 B15R1.127 CCCNC(=O)CCc1cccc(c1)C 11a_100020643023_100000234952 [0,1,0,0,0,0|1,0,2]=4 1211 B15R1.127 CCCNC(=O)CCc1cccc(c1)C 1626a_100020643023_100000234952 [0,1,0,0,0,0|1,0,2]=4 1212 B15R1.127 CCCNC(=O)CCc1cccc(c1)C 240690a_100020643023_100000234952 [0,1,0,0,0,0|1,0,2]=4 1213 B15R1.127 CCCNC(=O)CCc1cccc(c1)C 527a_100020643023_100000234952 [0,1,0,0,0,0|1,0,2]=4 1214 B15R1.127 CCCNC(=O)CCc1cccc(c1)Cl 11a_100020643023_100000235675 [0,1,0,0,0,0|1,0,2]=4 1215 B15R1.127 CCCNC(=O)CCc1cccc(c1)Cl 1626a_100020643023_100000235675 [0,1,0,0,0,0|1,0,2]=4 1216 B15R1.127 CCCNC(=O)CCc1cccc(c1)Cl 240690a_100020643023_100000235675 [0,1,0,0,0,0|1,0,2]=4 1217 B15R1.127 CCCNC(=O)CCc1cccc(c1)Cl 527a_100020643023_100000235675 [0,1,0,0,0,0|1,0,2]=4 1218 B15R1.127 CCCNC(=O)CCc1cccc(c1)F 11a_100020643023_100000235673 [0,1,0,0,0,0|1,0,2]=4 1219 B15R1.127 CCCNC(=O)CCc1cccc(c1)F 1626a_100020643023_100000235673 [0,1,0,0,0,0|1,0,2]=4 1220 B15R1.127 CCCNC(=O)CCc1cccc(c1)F 240690a_100020643023_100000235673 [0,1,0,0,0,0|1,0,2]=4 1221 B15R1.127 CCCNC(=O)CCc1cccc(c1)F 527a_100020643023_100000235673 [0,1,0,0,0,0|1,0,2]=4 1222 B15R1.127 CCCNC(=O)CCc1cccc(c1)I 11a_100020643023_100010007846 [0,1,0,0,0,0|1,0,2]=4 1223 B15R1.127 CCCNC(=O)CCc1cccc(c1)I 1626a_100020643023_100010007846 [0,1,0,0,0,0|1,0,2]=4 1224 B15R1.127 CCCNC(=O)CCc1cccc(c1)I 240690a_100020643023_100010007846 [0,1,0,0,0,0|1,0,2]=4 1225 B15R1.127 CCCNC(=O)CCc1cccc(c1)I 527a_100020643023_100010007846 [0,1,0,0,0,0|1,0,2]=4 1226 B15R1.127 CCCNC(=O)CCc1cccc(c1)O 240690a_100020643023_100011216126 [0,1,0,0,0,0|1,0,2]=4 1227 B15R1.127 CCCNC(=O)CCc1cccc(c1)O 527a_100020643023_100011216126 [0,1,0,0,0,0|1,0,2]=4 1228 B15R1.127 CCCNC(=O)CNc1cccc(c1)Br 34a_100000210019_100000183358 [0,1,0,0,0,0|2,0,1]=4 1229 B15R1.127 CCCNC(=O)CNc1cccc(c1)C 2230a_100000188690_100000183358 [0,1,0,0,0,0|2,0,1]=4 1230 B15R1.127 CCCNC(=O)CNc1cccc(c1)C 34a_100000188690_100000183358 [0,1,0,0,0,0|2,0,1]=4 1231 B15R1.127 CCCNC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000183358 [0,1,0,0,0,0|2,0,1]=4 1232 B15R1.127 CCCNC(=O)CNc1cccc(c1)F 34a_100000210047_100000183358 [0,1,0,0,0,0|2,0,1]=4 1233 B15R1.127 CCCNC(=O)CNc1cccc(c1)I 34a_100000211102_100000183358 [0,1,0,0,0,0|2,0,1]=4 1234 B15R1.127 CCCNC(=O)CNc1cccc(c1)O 34a_100000210217_100000183358 [0,1,0,0,0,0|2,0,1]=4 1235 B15R1.127 CCCNC(=O)COc1cccc(c1)Br 11a_100020643023_100000182359 [0,1,0,0,0,0|2,0,1]=4 1236 B15R1.127 CCCNC(=O)COc1cccc(c1)Br 1626a_100020643023_100000182359 [0,1,0,0,0,0|2,0,1]=4 1237 B15R1.127 CCCNC(=O)COc1cccc(c1)Br 240690a_100020643023_100000182359 [0,1,0,0,0,0|2,0,1]=4 1238 B15R1.127 CCCNC(=O)COc1cccc(c1)Br 34a_100000210342_100000183358 [0,1,0,0,0,0|2,0,1]=4 1239 B15R1.127 CCCNC(=O)COc1cccc(c1)Br 527a_100020643023_100000182359 [0,1,0,0,0,0|2,0,1]=4 1240 B15R1.127 CCCNC(=O)COc1cccc(c1)Br 7a_100000210342_100000183358 [0,1,0,0,0,0|2,0,1]=4 1241 B15R1.127 CCCNC(=O)COc1cccc(c1)C 11a_100020643023_100000183606 [0,1,0,0,0,0|2,0,1]=4 1242 B15R1.127 CCCNC(=O)COc1cccc(c1)C 1626a_100020643023_100000183606 [0,1,0,0,0,0|2,0,1]=4 1243 B15R1.127 CCCNC(=O)COc1cccc(c1)C 240690a_100020643023_100000183606 [0,1,0,0,0,0|2,0,1]=4 1244 B15R1.127 CCCNC(=O)COc1cccc(c1)C 34a_100000210337_100000183358 [0,1,0,0,0,0|2,0,1]=4 1245 B15R1.127 CCCNC(=O)COc1cccc(c1)C 527a_100020643023_100000183606 [0,1,0,0,0,0|2,0,1]=4 1246 B15R1.127 CCCNC(=O)COc1cccc(c1)C 7a_100000210337_100000183358 [0,1,0,0,0,0|2,0,1]=4 1247 B15R1.127 CCCNC(=O)COc1cccc(c1)Cl 11a_100020643023_100000184978 [0,1,0,0,0,0|2,0,1]=4 1248 B15R1.127 CCCNC(=O)COc1cccc(c1)Cl 1626a_100020643023_100000184978 [0,1,0,0,0,0|2,0,1]=4 1249 B15R1.127 CCCNC(=O)COc1cccc(c1)Cl 240690a_100020643023_100000184978 [0,1,0,0,0,0|2,0,1]=4 1250 B15R1.127 CCCNC(=O)COc1cccc(c1)Cl 34a_100000210295_100000183358 [0,1,0,0,0,0|2,0,1]=4 1251 B15R1.127 CCCNC(=O)COc1cccc(c1)Cl 527a_100020643023_100000184978 [0,1,0,0,0,0|2,0,1]=4 1252 B15R1.127 CCCNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000183358 [0,1,0,0,0,0|2,0,1]=4 1253 B15R1.127 CCCNC(=O)COc1cccc(c1)F 11a_100020643023_100000182781 [0,1,0,0,0,0|2,0,1]=4 1254 B15R1.127 CCCNC(=O)COc1cccc(c1)F 1626a_100020643023_100000182781 [0,1,0,0,0,0|2,0,1]=4 1255 B15R1.127 CCCNC(=O)COc1cccc(c1)F 240690a_100020643023_100000182781 [0,1,0,0,0,0|2,0,1]=4 1256 B15R1.127 CCCNC(=O)COc1cccc(c1)F 34a_100000210426_100000183358 [0,1,0,0,0,0|2,0,1]=4 1257 B15R1.127 CCCNC(=O)COc1cccc(c1)F 527a_100020643023_100000182781 [0,1,0,0,0,0|2,0,1]=4 1258 B15R1.127 CCCNC(=O)COc1cccc(c1)F 7a_100000210426_100000183358 [0,1,0,0,0,0|2,0,1]=4 1259 B15R1.127 CCCNC(=O)COc1cccc(c1)I 34a_100000211634_100000183358 [0,1,0,0,0,0|2,0,1]=4 1260 B15R1.127 CCCNC(=O)COc1cccc(c1)I 7a_100000211634_100000183358 [0,1,0,0,0,0|2,0,1]=4 1261 B15R1.127 CCCNC(=O)COc1cccc(c1)N 34a_100000210217_100000183358 [0,1,0,0,0,0|2,0,1]=4 1262 B15R1.127 CCCNC(=O)CSc1cccc(c1)Br 11a_100020643023_100000760868 [0,1,0,0,0,0|2,0,1]=4 1263 B15R1.127 CCCNC(=O)CSc1cccc(c1)Br 1626a_100020643023_100000760868 [0,1,0,0,0,0|2,0,1]=4 1264 B15R1.127 CCCNC(=O)CSc1cccc(c1)Br 240690a_100020643023_100000760868 [0,1,0,0,0,0|2,0,1]=4 1265 B15R1.127 CCCNC(=O)CSc1cccc(c1)Br 527a_100020643023_100000760868 [0,1,0,0,0,0|2,0,1]=4 1266 B15R1.127 CCCNC(=O)CSc1cccc(c1)Br 62a_100000183358_100000691529 [0,1,0,0,0,0|2,0,1]=4 1267 B15R1.127 CCCNC(=O)CSc1cccc(c1)Br 62a_100000691529_100000183358 [0,1,0,0,0,0|2,0,1]=4 1268 B15R1.127 CCCNC(=O)CSc1cccc(c1)C 62a_100000183358_100011215228 [0,1,0,0,0,0|2,0,1]=4 1269 B15R1.127 CCCNC(=O)CSc1cccc(c1)C 62a_100011215228_100000183358 [0,1,0,0,0,0|2,0,1]=4 1270 B15R1.127 CCCNC(=O)CSc1cccc(c1)Cl 62a_100000183358_100000699651 [0,1,0,0,0,0|2,0,1]=4 1271 B15R1.127 CCCNC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000183358 [0,1,0,0,0,0|2,0,1]=4 1272 B15R1.127 CCCNC(=O)CSc1cccc(c1)F 62a_100000183358_100000685547 [0,1,0,0,0,0|2,0,1]=4 1273 B15R1.127 CCCNC(=O)CSc1cccc(c1)F 62a_100000685547_100000183358 [0,1,0,0,0,0|2,0,1]=4 1274 B15R1.127 CCCNC(=O)CSc1cccc(c1)N 62a_100000183358_100000210019 [0,1,0,0,0,0|2,0,1]=4 1275 B15R1.127 CCCNC(=O)CSc1cccc(c1)N 62a_100000210019_100000183358 [0,1,0,0,0,0|2,0,1]=4 1276 B15R1.127 CCCNC(=O)CSc1cccc(c1)O 62a_100000183358_100000211634 [0,1,0,0,0,0|2,0,1]=4 1277 B15R1.127 CCCNC(=O)CSc1cccc(c1)[S] 62a_100000183358_114929384022 [0,1,0,0,0,0|2,0,1]=4 1278 B15R1.127 CCCNC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000183358 [0,1,0,0,0,0|2,0,1]=4 1279 B15R1.127 CCCNC(=O)NCc1cccc(c1)Br 2708a_100000174977_100020643023 [0,1,0,0,0,0|2,0,1]=4 1280 B15R1.127 CCCNC(=O)NCc1cccc(c1)Br 2708a_100020643023_100000174977 [0,1,0,0,0,0|2,0,1]=4 1281 B15R1.127 CCCNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100020643023 [0,1,0,0,0,0|2,0,1]=4 1282 B15R1.127 CCCNC(=O)NCc1cccc(c1)Br 273464a_100020643023_100000174977 [0,1,0,0,0,0|2,0,1]=4 1283 B15R1.127 CCCNC(=O)NCc1cccc(c1)Br 512a_100000174977_100020643023 [0,1,0,0,0,0|2,0,1]=4 1284 B15R1.127 CCCNC(=O)NCc1cccc(c1)Br 512a_100020643023_100000174977 [0,1,0,0,0,0|2,0,1]=4 1285 B15R1.127 CCCNC(=O)NCc1cccc(c1)C 2708a_100000185548_100020643023 [0,1,0,0,0,0|2,0,1]=4 1286 B15R1.127 CCCNC(=O)NCc1cccc(c1)C 2708a_100020643023_100000185548 [0,1,0,0,0,0|2,0,1]=4 1287 B15R1.127 CCCNC(=O)NCc1cccc(c1)C 273464a_100000185548_100020643023 [0,1,0,0,0,0|2,0,1]=4 1288 B15R1.127 CCCNC(=O)NCc1cccc(c1)C 273464a_100020643023_100000185548 [0,1,0,0,0,0|2,0,1]=4 1289 B15R1.127 CCCNC(=O)NCc1cccc(c1)C 512a_100000185548_100020643023 [0,1,0,0,0,0|2,0,1]=4 1290 B15R1.127 CCCNC(=O)NCc1cccc(c1)C 512a_100020643023_100000185548 [0,1,0,0,0,0|2,0,1]=4 1291 B15R1.127 CCCNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_100020643023 [0,1,0,0,0,0|2,0,1]=4 1292 B15R1.127 CCCNC(=O)NCc1cccc(c1)Cl 2708a_100020643023_100000174878 [0,1,0,0,0,0|2,0,1]=4 1293 B15R1.127 CCCNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100020643023 [0,1,0,0,0,0|2,0,1]=4 1294 B15R1.127 CCCNC(=O)NCc1cccc(c1)Cl 273464a_100020643023_100000174878 [0,1,0,0,0,0|2,0,1]=4 1295 B15R1.127 CCCNC(=O)NCc1cccc(c1)Cl 512a_100000174878_100020643023 [0,1,0,0,0,0|2,0,1]=4 1296 B15R1.127 CCCNC(=O)NCc1cccc(c1)Cl 512a_100020643023_100000174878 [0,1,0,0,0,0|2,0,1]=4 1297 B15R1.127 CCCNC(=O)NCc1cccc(c1)F 2708a_100000174948_100020643023 [0,1,0,0,0,0|2,0,1]=4 1298 B15R1.127 CCCNC(=O)NCc1cccc(c1)F 2708a_100020643023_100000174948 [0,1,0,0,0,0|2,0,1]=4 1299 B15R1.127 CCCNC(=O)NCc1cccc(c1)F 273464a_100000174948_100020643023 [0,1,0,0,0,0|2,0,1]=4 1300 B15R1.127 CCCNC(=O)NCc1cccc(c1)F 273464a_100020643023_100000174948 [0,1,0,0,0,0|2,0,1]=4 1301 B15R1.127 CCCNC(=O)NCc1cccc(c1)F 512a_100000174948_100020643023 [0,1,0,0,0,0|2,0,1]=4 1302 B15R1.127 CCCNC(=O)NCc1cccc(c1)F 512a_100020643023_100000174948 [0,1,0,0,0,0|2,0,1]=4 1303 B15R1.127 CCCNC(=O)NCc1cccc(c1)I 2708a_100000106179_100020643023 [0,1,0,0,0,0|2,0,1]=4 1304 B15R1.127 CCCNC(=O)NCc1cccc(c1)I 2708a_100020643023_100000106179 [0,1,0,0,0,0|2,0,1]=4 1305 B15R1.127 CCCNC(=O)NCc1cccc(c1)I 273464a_100000106179_100020643023 [0,1,0,0,0,0|2,0,1]=4 1306 B15R1.127 CCCNC(=O)NCc1cccc(c1)I 273464a_100020643023_100000106179 [0,1,0,0,0,0|2,0,1]=4 1307 B15R1.127 CCCNC(=O)NCc1cccc(c1)I 512a_100000106179_100020643023 [0,1,0,0,0,0|2,0,1]=4 1308 B15R1.127 CCCNC(=O)NCc1cccc(c1)I 512a_100020643023_100000106179 [0,1,0,0,0,0|2,0,1]=4 1309 B15R1.127 CCCNC(=O)NCc1cccc(c1)O 2708a_100000743036_100020643023 [0,1,0,0,0,0|2,0,1]=4 1310 B15R1.127 CCCNC(=O)NCc1cccc(c1)O 2708a_100020643023_100000743036 [0,1,0,0,0,0|2,0,1]=4 1311 B15R1.127 CCCNC(=O)NCc1cccc(c1)O 273464a_100000743036_100020643023 [0,1,0,0,0,0|2,0,1]=4 1312 B15R1.127 CCCNC(=O)NCc1cccc(c1)O 273464a_100020643023_100000743036 [0,1,0,0,0,0|2,0,1]=4 1313 B15R1.127 CCCNC(=O)NCc1cccc(c1)O 512a_100000743036_100020643023 [0,1,0,0,0,0|2,0,1]=4 1314 B15R1.127 CCCNC(=O)NCc1cccc(c1)O 512a_100020643023_100000743036 [0,1,0,0,0,0|2,0,1]=4 1315 B15R1.127 CCCNC(=O)NNc1cccc(c1)Br 273464a_100020643023_100000217339 [0,1,0,0,0,0|3,0,0]=4 1316 B15R1.127 CCCNC(=O)NNc1cccc(c1)Br 512a_100000217339_100020643023 [0,1,0,0,0,0|3,0,0]=4 1317 B15R1.127 CCCNC(=O)NNc1cccc(c1)Br 512a_100020643023_100000217339 [0,1,0,0,0,0|3,0,0]=4 1318 B15R1.127 CCCNC(=O)NNc1cccc(c1)C 273464a_100020643023_100000681630 [0,1,0,0,0,0|3,0,0]=4 1319 B15R1.127 CCCNC(=O)NNc1cccc(c1)C 512a_100000681630_100020643023 [0,1,0,0,0,0|3,0,0]=4 1320 B15R1.127 CCCNC(=O)NNc1cccc(c1)C 512a_100020643023_100000681630 [0,1,0,0,0,0|3,0,0]=4 1321 B15R1.127 CCCNC(=O)NNc1cccc(c1)Cl 273464a_100020643023_100000184277 [0,1,0,0,0,0|3,0,0]=4 1322 B15R1.127 CCCNC(=O)NNc1cccc(c1)Cl 512a_100020643023_100000184277 [0,1,0,0,0,0|3,0,0]=4 1323 B15R1.127 CCCNC(=O)NNc1cccc(c1)F 273464a_100020643023_100000745080 [0,1,0,0,0,0|3,0,0]=4 1324 B15R1.127 CCCNC(=O)NNc1cccc(c1)F 512a_100000745080_100020643023 [0,1,0,0,0,0|3,0,0]=4 1325 B15R1.127 CCCNC(=O)NNc1cccc(c1)F 512a_100020643023_100000745080 [0,1,0,0,0,0|3,0,0]=4 1326 B15R1.127 CCCNC(=O)NNc1cccc(c1)I 273464a_100020643023_100020605690 [0,1,0,0,0,0|3,0,0]=4 1327 B15R1.127 CCCNC(=O)NNc1cccc(c1)I 512a_100020605690_100020643023 [0,1,0,0,0,0|3,0,0]=4 1328 B15R1.127 CCCNC(=O)NNc1cccc(c1)I 512a_100020643023_100020605690 [0,1,0,0,0,0|3,0,0]=4 1329 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)Br 22a_100000756455_100016258244 [0,1,0,0,0,0|2,0,0]=3 1330 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)C 22a_100000756455_100000690095 [0,1,0,0,0,0|2,0,0]=3 1331 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)Cl 22a_100000756455_100000184502 [0,1,0,0,0,0|2,0,0]=3 1332 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)F 22a_100000756455_100000718793 [0,1,0,0,0,0|2,0,0]=3 1333 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)I 22a_100000756455_100020647043 [0,1,0,0,0,0|2,0,0]=3 1334 B15R1.127 CCNNC(=O)C=Cc1cccc(c1)O 22a_100000756455_100102525460 [0,1,0,0,0,0|2,0,0]=3 1335 B15R1.127 CCOCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000209952 [0,1,0,0,0,0|3,0,0]=4 1336 B15R1.127 CCOCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000209952 [0,1,0,0,0,0|3,0,0]=4 1337 B15R1.127 CCOCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000209952 [0,1,0,0,0,0|3,0,0]=4 1338 B15R1.127 CCSCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_200011216171 [0,1,0,0,0,0|3,0,0]=4 1339 B15R1.127 CCSCC(=O)C=Cc1cccc(c1)F 6a_100000210812_200011216171 [0,1,0,0,0,0|3,0,0]=4 1340 B15R1.127 CCSCC(=O)C=Cc1cccc(c1)I 6a_100000014684_200011216171 [0,1,0,0,0,0|3,0,0]=4 1341 B15R1.127 COCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000233755 [0,1,0,0,0,0|3,0,0]=4 1342 B15R1.127 COCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000742357 [0,1,0,0,0,0|3,0,0]=4 1343 B15R1.127 COCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000233755 [0,1,0,0,0,0|3,0,0]=4 1344 B15R1.127 COCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000233755 [0,1,0,0,0,0|3,0,0]=4 1345 B15R1.127 COCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000233755 [0,1,0,0,0,0|3,0,0]=4 1346 B15R1.127 COCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000742357 [0,1,0,0,0,0|3,0,0]=4 1347 B15R1.127 COCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000233755 [0,1,0,0,0,0|3,0,0]=4 1348 B15R1.127 COCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000742357 [0,1,0,0,0,0|3,0,0]=4 1349 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000751147 [0,1,0,0,0,0|3,0,0]=4 1350 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011217047 [0,1,0,0,0,0|3,0,0]=4 1351 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000751147 [0,1,0,0,0,0|3,0,0]=4 1352 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000751147 [0,1,0,0,0,0|3,0,0]=4 1353 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000751147 [0,1,0,0,0,0|3,0,0]=4 1354 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011217047 [0,1,0,0,0,0|3,0,0]=4 1355 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000751147 [0,1,0,0,0,0|3,0,0]=4 1356 B15R1.127 CSCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011217047 [0,1,0,0,0,0|3,0,0]=4 1357 B15R1.127 Cc1cc(ccn1)CNC(=O)NCCO 2708a_100011934566_100000210304 [0,1,0,0,0,0|2,0,1]=4 1358 B15R1.127 Cc1cc(ccn1)CNC(=O)NCCO 273464a_100000210304_100011934566 [0,1,0,0,0,0|2,0,1]=4 1359 B15R1.127 Cc1cc(ccn1)CNC(=O)NCCO 273464a_100011934566_100000210304 [0,1,0,0,0,0|2,0,1]=4 1360 B15R1.127 Cc1cc(ccn1)CNC(=O)NCCO 512a_100011934566_100000210304 [0,1,0,0,0,0|2,0,1]=4 1361 B15R1.127 Cc1cccc(c1)C#CC(=O)CCCO 1458a_100011892726_100011215043 [0,1,0,0,0,0|1,0,2]=4 1362 B15R1.127 Cc1cccc(c1)C#CC(=O)NCCF 240690a_100000724931_100011892726 [0,1,0,0,0,0|1,0,2]=4 1363 B15R1.127 Cc1cccc(c1)C#CC(=O)NCCO 240690a_100000210304_100011892726 [0,1,0,0,0,0|0,0,2]=3 1364 B15R1.127 Cc1cccc(c1)C=CC(=O)CCC#N 1458a_100000690095_100011215226 [0,1,0,0,0,0|2,0,1]=4 1365 B15R1.127 Cc1cccc(c1)C=CC(=O)CCCF 1458a_100000690095_100011934791 [0,1,0,0,0,0|2,0,0]=3 1366 B15R1.127 Cc1cccc(c1)C=CC(=O)CCCO 1458a_100000690095_100011215043 [0,1,0,0,0,0|1,0,0]=2 1367 B15R1.127 Cc1cccc(c1)C=CC(=O)NCC#N 1626a_100000734998_100000690095 [0,1,0,0,0,0|1,0,1]=3 1368 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCF 11a_100000724931_100000690095 [0,1,0,0,0,0|1,0,0]=2 1369 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCF 1626a_100000724931_100000690095 [0,1,0,0,0,0|1,0,0]=2 1370 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCF 240690a_100000724931_100000690095 [0,1,0,0,0,0|1,0,0]=2 1371 B15R1.127 Cc1cccc(c1)C=CC(=O)NCCO 240690a_100000210304_100000690095 [0,1,0,0,0,0|0,0,0]=1 1372 B15R1.127 Cc1cccc(c1)CCC(=O)CCCO 1458a_100000234952_100011215043 [0,1,0,0,0,0|1,0,2]=4 1373 B15R1.127 Cc1cccc(c1)CCC(=O)NCCF 11a_100000724931_100000234952 [0,1,0,0,0,0|1,0,2]=4 1374 B15R1.127 Cc1cccc(c1)CCC(=O)NCCF 1626a_100000724931_100000234952 [0,1,0,0,0,0|1,0,2]=4 1375 B15R1.127 Cc1cccc(c1)CCC(=O)NCCF 240690a_100000724931_100000234952 [0,1,0,0,0,0|1,0,2]=4 1376 B15R1.127 Cc1cccc(c1)CCC(=O)NCCF 527a_100000724931_100000234952 [0,1,0,0,0,0|1,0,2]=4 1377 B15R1.127 Cc1cccc(c1)CCC(=O)NCCO 240690a_100000210304_100000234952 [0,1,0,0,0,0|0,0,2]=3 1378 B15R1.127 Cc1cccc(c1)CCC(=O)NCCO 527a_100000210304_100000234952 [0,1,0,0,0,0|0,0,2]=3 1379 B15R1.127 Cc1cccc(c1)CNC(=O)NCCF 2708a_100000185548_100000724931 [0,1,0,0,0,0|2,0,1]=4 1380 B15R1.127 Cc1cccc(c1)CNC(=O)NCCF 273464a_100000185548_100000724931 [0,1,0,0,0,0|2,0,1]=4 1381 B15R1.127 Cc1cccc(c1)CNC(=O)NCCF 273464a_100000724931_100000185548 [0,1,0,0,0,0|2,0,1]=4 1382 B15R1.127 Cc1cccc(c1)CNC(=O)NCCF 512a_100000185548_100000724931 [0,1,0,0,0,0|2,0,1]=4 1383 B15R1.127 Cc1cccc(c1)CNC(=O)NCCO 2708a_100000185548_100000210304 [0,1,0,0,0,0|1,0,1]=3 1384 B15R1.127 Cc1cccc(c1)CNC(=O)NCCO 273464a_100000185548_100000210304 [0,1,0,0,0,0|1,0,1]=3 1385 B15R1.127 Cc1cccc(c1)CNC(=O)NCCO 273464a_100000210304_100000185548 [0,1,0,0,0,0|1,0,1]=3 1386 B15R1.127 Cc1cccc(c1)CNC(=O)NCCO 512a_100000185548_100000210304 [0,1,0,0,0,0|1,0,1]=3 1387 B15R1.127 Cc1cccc(c1)NNC(=O)NCCF 273464a_100000724931_100000681630 [0,1,0,0,0,0|3,0,0]=4 1388 B15R1.127 Cc1cccc(c1)NNC(=O)NCCF 512a_100000681630_100000724931 [0,1,0,0,0,0|3,0,0]=4 1389 B15R1.127 Cc1cccc(c1)NNC(=O)NCCO 273464a_100000210304_100000681630 [0,1,0,0,0,0|2,0,0]=3 1390 B15R1.127 Cc1cccc(c1)NNC(=O)NCCO 512a_100000681630_100000210304 [0,1,0,0,0,0|2,0,0]=3 1391 B15R1.127 Cc1cccc(c1)OCC(=O)CCCO 1458a_100000183606_100011215043 [0,1,0,0,0,0|2,0,1]=4 1392 B15R1.127 Cc1cccc(c1)OCC(=O)NCCF 11a_100000724931_100000183606 [0,1,0,0,0,0|2,0,1]=4 1393 B15R1.127 Cc1cccc(c1)OCC(=O)NCCF 1626a_100000724931_100000183606 [0,1,0,0,0,0|2,0,1]=4 1394 B15R1.127 Cc1cccc(c1)OCC(=O)NCCF 240690a_100000724931_100000183606 [0,1,0,0,0,0|2,0,1]=4 1395 B15R1.127 Cc1cccc(c1)OCC(=O)NCCF 527a_100000724931_100000183606 [0,1,0,0,0,0|2,0,1]=4 1396 B15R1.127 Cc1cccc(c1)OCC(=O)NCCO 240690a_100000210304_100000183606 [0,1,0,0,0,0|1,0,1]=3 1397 B15R1.127 Cc1cccc(c1)OCC(=O)NCCO 527a_100000210304_100000183606 [0,1,0,0,0,0|1,0,1]=3 1398 B15R1.127 Cc1cccc(n1)CNC(=O)NCCO 2708a_100000701342_100000210304 [0,1,0,0,0,0|2,0,1]=4 1399 B15R1.127 Cc1cccc(n1)CNC(=O)NCCO 273464a_100000210304_100000701342 [0,1,0,0,0,0|2,0,1]=4 1400 B15R1.127 Cc1cccc(n1)CNC(=O)NCCO 273464a_100000701342_100000210304 [0,1,0,0,0,0|2,0,1]=4 1401 B15R1.127 Cc1cccc(n1)CNC(=O)NCCO 512a_100000701342_100000210304 [0,1,0,0,0,0|2,0,1]=4 1402 B15R1.127 Cc1cccc(n1)NNC(=O)NCCO 273464a_100000210304_100011363444 [0,1,0,0,0,0|3,0,0]=4 1403 B15R1.127 Cc1ccnc(c1)CNC(=O)NCCO 2708a_100011934573_100000210304 [0,1,0,0,0,0|2,0,1]=4 1404 B15R1.127 Cc1ccnc(c1)CNC(=O)NCCO 273464a_100000210304_100011934573 [0,1,0,0,0,0|2,0,1]=4 1405 B15R1.127 Cc1ccnc(c1)CNC(=O)NCCO 273464a_100011934573_100000210304 [0,1,0,0,0,0|2,0,1]=4 1406 B15R1.127 Cc1ccnc(c1)CNC(=O)NCCO 512a_100011934573_100000210304 [0,1,0,0,0,0|2,0,1]=4 1407 B15R1.127 Cc1ccnc(c1)NNC(=O)NCCO 273464a_100000210304_100000746014 [0,1,0,0,0,0|3,0,0]=4 1408 B15R1.127 Cc1cncc(c1)C=CC(=O)CCCBr 6a_100011998712_100000685027 [0,1,0,0,0,0|3,0,0]=4 1409 B15R1.127 Cc1cncc(c1)C=CC(=O)CCCCl 6a_100011998712_100011215641 [0,1,0,0,0,0|3,0,0]=4 1410 B15R1.127 Cc1cncc(c1)CNC(=O)NCCO 2708a_100000692839_100000210304 [0,1,0,0,0,0|2,0,1]=4 1411 B15R1.127 Cc1cncc(c1)CNC(=O)NCCO 273464a_100000210304_100000692839 [0,1,0,0,0,0|2,0,1]=4 1412 B15R1.127 Cc1cncc(c1)CNC(=O)NCCO 273464a_100000692839_100000210304 [0,1,0,0,0,0|2,0,1]=4 1413 B15R1.127 Cc1cncc(c1)CNC(=O)NCCO 512a_100000692839_100000210304 [0,1,0,0,0,0|2,0,1]=4 1414 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011215226 [0,1,0,0,0,0|2,0,1]=4 1415 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011215226 [0,1,0,0,0,0|2,0,1]=4 1416 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011215226 [0,1,0,0,0,0|2,0,1]=4 1417 B15R1.127 N#CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011215226 [0,1,0,0,0,0|2,0,1]=4 1418 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)Br 1626a_100000734998_100016258244 [0,1,0,0,0,0|1,0,1]=3 1419 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000734998_100000184502 [0,1,0,0,0,0|1,0,1]=3 1420 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)F 1626a_100000734998_100000718793 [0,1,0,0,0,0|1,0,1]=3 1421 B15R1.127 N#CCNC(=O)C=Cc1cccc(c1)I 1626a_100000734998_100020647043 [0,1,0,0,0,0|1,0,1]=3 1422 B15R1.127 O=C(C#Cc1cccc(c1)Br)CCCO 1458a_100012100324_100011215043 [0,1,0,0,0,0|1,0,2]=4 1423 B15R1.127 O=C(C#Cc1cccc(c1)Cl)CCCO 1458a_100011892777_100011215043 [0,1,0,0,0,0|1,0,2]=4 1424 B15R1.127 O=C(C#Cc1cccc(c1)Cl)NCCF 240690a_100000724931_100011892777 [0,1,0,0,0,0|1,0,2]=4 1425 B15R1.127 O=C(C#Cc1cccc(c1)Cl)NCCO 240690a_100000210304_100011892777 [0,1,0,0,0,0|0,0,2]=3 1426 B15R1.127 O=C(C#Cc1cccc(c1)F)CCCO 1458a_100011892744_100011215043 [0,1,0,0,0,0|1,0,2]=4 1427 B15R1.127 O=C(C#Cc1cccc(c1)F)NCCF 240690a_100000724931_100011892744 [0,1,0,0,0,0|1,0,2]=4 1428 B15R1.127 O=C(C#Cc1cccc(c1)F)NCCO 240690a_100000210304_100011892744 [0,1,0,0,0,0|0,0,2]=3 1429 B15R1.127 O=C(C#Cc1cccc(c1)O)CCCO 1458a_200009909484_100011215043 [0,1,0,0,0,0|1,0,2]=4 1430 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCBr 6a_100000210085_100000685027 [0,1,0,0,0,0|2,0,0]=3 1431 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCCl 6a_100000210085_100011215641 [0,1,0,0,0,0|2,0,0]=3 1432 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCF 1458a_100016258244_100011934791 [0,1,0,0,0,0|2,0,0]=3 1433 B15R1.127 O=C(C=Cc1cccc(c1)Br)CCCO 1458a_100016258244_100011215043 [0,1,0,0,0,0|1,0,0]=2 1434 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCF 11a_100000724931_100016258244 [0,1,0,0,0,0|1,0,0]=2 1435 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCF 1626a_100000724931_100016258244 [0,1,0,0,0,0|1,0,0]=2 1436 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCF 240690a_100000724931_100016258244 [0,1,0,0,0,0|1,0,0]=2 1437 B15R1.127 O=C(C=Cc1cccc(c1)Br)NCCO 240690a_100000210304_100016258244 [0,1,0,0,0,0|0,0,0]=1 1438 B15R1.127 O=C(C=Cc1cccc(c1)Cl)CCCF 1458a_100000184502_100011934791 [0,1,0,0,0,0|2,0,0]=3 1439 B15R1.127 O=C(C=Cc1cccc(c1)Cl)CCCO 1458a_100000184502_100011215043 [0,1,0,0,0,0|1,0,0]=2 1440 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF 11a_100000724931_100000184502 [0,1,0,0,0,0|1,0,0]=2 1441 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF 1626a_100000724931_100000184502 [0,1,0,0,0,0|1,0,0]=2 1442 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCF 240690a_100000724931_100000184502 [0,1,0,0,0,0|1,0,0]=2 1443 B15R1.127 O=C(C=Cc1cccc(c1)Cl)NCCO 240690a_100000210304_100000184502 [0,1,0,0,0,0|0,0,0]=1 1444 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCBr 6a_100000210812_100000685027 [0,1,0,0,0,0|2,0,0]=3 1445 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCCl 6a_100000210812_100011215641 [0,1,0,0,0,0|2,0,0]=3 1446 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCF 1458a_100000718793_100011934791 [0,1,0,0,0,0|2,0,0]=3 1447 B15R1.127 O=C(C=Cc1cccc(c1)F)CCCO 1458a_100000718793_100011215043 [0,1,0,0,0,0|1,0,0]=2 1448 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCF 11a_100000724931_100000718793 [0,1,0,0,0,0|1,0,0]=2 1449 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCF 1626a_100000724931_100000718793 [0,1,0,0,0,0|1,0,0]=2 1450 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCF 240690a_100000724931_100000718793 [0,1,0,0,0,0|1,0,0]=2 1451 B15R1.127 O=C(C=Cc1cccc(c1)F)NCCO 240690a_100000210304_100000718793 [0,1,0,0,0,0|0,0,0]=1 1452 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCBr 6a_100000014684_100000685027 [0,1,0,0,0,0|2,0,0]=3 1453 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCCl 6a_100000014684_100011215641 [0,1,0,0,0,0|2,0,0]=3 1454 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCF 1458a_100020647043_100011934791 [0,1,0,0,0,0|2,0,0]=3 1455 B15R1.127 O=C(C=Cc1cccc(c1)I)CCCO 1458a_100020647043_100011215043 [0,1,0,0,0,0|1,0,0]=2 1456 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCF 11a_100000724931_100020647043 [0,1,0,0,0,0|1,0,0]=2 1457 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCF 1626a_100000724931_100020647043 [0,1,0,0,0,0|1,0,0]=2 1458 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCF 240690a_100000724931_100020647043 [0,1,0,0,0,0|1,0,0]=2 1459 B15R1.127 O=C(C=Cc1cccc(c1)I)NCCO 240690a_100000210304_100020647043 [0,1,0,0,0,0|0,0,0]=1 1460 B15R1.127 O=C(C=Cc1cncc(c1)Br)CCCBr 6a_100000687066_100000685027 [0,1,0,0,0,0|3,0,0]=4 1461 B15R1.127 O=C(C=Cc1cncc(c1)Br)CCCCl 6a_100000687066_100011215641 [0,1,0,0,0,0|3,0,0]=4 1462 B15R1.127 O=C(C=Cc1cncc(c1)Cl)CCCBr 6a_100000088910_100000685027 [0,1,0,0,0,0|3,0,0]=4 1463 B15R1.127 O=C(C=Cc1cncc(c1)Cl)CCCCl 6a_100000088910_100011215641 [0,1,0,0,0,0|3,0,0]=4 1464 B15R1.127 O=C(C=Cc1cncc(c1)F)CCCBr 6a_100011361476_100000685027 [0,1,0,0,0,0|3,0,0]=4 1465 B15R1.127 O=C(C=Cc1cncc(c1)F)CCCCl 6a_100011361476_100011215641 [0,1,0,0,0,0|3,0,0]=4 1466 B15R1.127 O=C(CCCO)CCc1cccc(c1)Br 1458a_100000184314_100011215043 [0,1,0,0,0,0|1,0,2]=4 1467 B15R1.127 O=C(CCCO)CCc1cccc(c1)Cl 1458a_100000235675_100011215043 [0,1,0,0,0,0|1,0,2]=4 1468 B15R1.127 O=C(CCCO)CCc1cccc(c1)F 1458a_100000235673_100011215043 [0,1,0,0,0,0|1,0,2]=4 1469 B15R1.127 O=C(CCCO)CCc1cccc(c1)I 1458a_100010007846_100011215043 [0,1,0,0,0,0|1,0,2]=4 1470 B15R1.127 O=C(CCCO)CCc1cccc(c1)O 1458a_100011216126_100011215043 [0,1,0,0,0,0|1,0,2]=4 1471 B15R1.127 O=C(CCCO)COc1cccc(c1)Br 1458a_100000182359_100011215043 [0,1,0,0,0,0|2,0,1]=4 1472 B15R1.127 O=C(CCCO)COc1cccc(c1)Cl 1458a_100000184978_100011215043 [0,1,0,0,0,0|2,0,1]=4 1473 B15R1.127 O=C(CCCO)COc1cccc(c1)F 1458a_100000182781_100011215043 [0,1,0,0,0,0|2,0,1]=4 1474 B15R1.127 O=C(CCCO)CSc1cccc(c1)Br 1458a_100000760868_100011215043 [0,1,0,0,0,0|2,0,1]=4 1475 B15R1.127 O=C(CCc1cccc(c1)Br)NCCF 11a_100000724931_100000184314 [0,1,0,0,0,0|1,0,2]=4 1476 B15R1.127 O=C(CCc1cccc(c1)Br)NCCF 1626a_100000724931_100000184314 [0,1,0,0,0,0|1,0,2]=4 1477 B15R1.127 O=C(CCc1cccc(c1)Br)NCCF 240690a_100000724931_100000184314 [0,1,0,0,0,0|1,0,2]=4 1478 B15R1.127 O=C(CCc1cccc(c1)Br)NCCF 527a_100000724931_100000184314 [0,1,0,0,0,0|1,0,2]=4 1479 B15R1.127 O=C(CCc1cccc(c1)Br)NCCO 240690a_100000210304_100000184314 [0,1,0,0,0,0|0,0,2]=3 1480 B15R1.127 O=C(CCc1cccc(c1)Br)NCCO 527a_100000210304_100000184314 [0,1,0,0,0,0|0,0,2]=3 1481 B15R1.127 O=C(CCc1cccc(c1)Cl)NCCF 11a_100000724931_100000235675 [0,1,0,0,0,0|1,0,2]=4 1482 B15R1.127 O=C(CCc1cccc(c1)Cl)NCCF 1626a_100000724931_100000235675 [0,1,0,0,0,0|1,0,2]=4 1483 B15R1.127 O=C(CCc1cccc(c1)Cl)NCCF 240690a_100000724931_100000235675 [0,1,0,0,0,0|1,0,2]=4 1484 B15R1.127 O=C(CCc1cccc(c1)Cl)NCCF 527a_100000724931_100000235675 [0,1,0,0,0,0|1,0,2]=4 1485 B15R1.127 O=C(CCc1cccc(c1)Cl)NCCO 240690a_100000210304_100000235675 [0,1,0,0,0,0|0,0,2]=3 1486 B15R1.127 O=C(CCc1cccc(c1)Cl)NCCO 527a_100000210304_100000235675 [0,1,0,0,0,0|0,0,2]=3 1487 B15R1.127 O=C(CCc1cccc(c1)F)NCCF 11a_100000724931_100000235673 [0,1,0,0,0,0|1,0,2]=4 1488 B15R1.127 O=C(CCc1cccc(c1)F)NCCF 1626a_100000724931_100000235673 [0,1,0,0,0,0|1,0,2]=4 1489 B15R1.127 O=C(CCc1cccc(c1)F)NCCF 240690a_100000724931_100000235673 [0,1,0,0,0,0|1,0,2]=4 1490 B15R1.127 O=C(CCc1cccc(c1)F)NCCF 527a_100000724931_100000235673 [0,1,0,0,0,0|1,0,2]=4 1491 B15R1.127 O=C(CCc1cccc(c1)F)NCCO 240690a_100000210304_100000235673 [0,1,0,0,0,0|0,0,2]=3 1492 B15R1.127 O=C(CCc1cccc(c1)F)NCCO 527a_100000210304_100000235673 [0,1,0,0,0,0|0,0,2]=3 1493 B15R1.127 O=C(CCc1cccc(c1)I)NCCF 11a_100000724931_100010007846 [0,1,0,0,0,0|1,0,2]=4 1494 B15R1.127 O=C(CCc1cccc(c1)I)NCCF 1626a_100000724931_100010007846 [0,1,0,0,0,0|1,0,2]=4 1495 B15R1.127 O=C(CCc1cccc(c1)I)NCCF 240690a_100000724931_100010007846 [0,1,0,0,0,0|1,0,2]=4 1496 B15R1.127 O=C(CCc1cccc(c1)I)NCCF 527a_100000724931_100010007846 [0,1,0,0,0,0|1,0,2]=4 1497 B15R1.127 O=C(CCc1cccc(c1)I)NCCO 240690a_100000210304_100010007846 [0,1,0,0,0,0|0,0,2]=3 1498 B15R1.127 O=C(CCc1cccc(c1)I)NCCO 527a_100000210304_100010007846 [0,1,0,0,0,0|0,0,2]=3 1499 B15R1.127 O=C(CCc1cccc(c1)O)NCCF 240690a_100000724931_100011216126 [0,1,0,0,0,0|1,0,2]=4 1500 B15R1.127 O=C(CCc1cccc(c1)O)NCCF 527a_100000724931_100011216126 [0,1,0,0,0,0|1,0,2]=4 1501 B15R1.127 O=C(CCc1cccc(c1)O)NCCO 240690a_100000210304_100011216126 [0,1,0,0,0,0|0,0,2]=3 1502 B15R1.127 O=C(CCc1cccc(c1)O)NCCO 527a_100000210304_100011216126 [0,1,0,0,0,0|0,0,2]=3 1503 B15R1.127 O=C(COc1cccc(c1)Br)NCCF 11a_100000724931_100000182359 [0,1,0,0,0,0|2,0,1]=4 1504 B15R1.127 O=C(COc1cccc(c1)Br)NCCF 1626a_100000724931_100000182359 [0,1,0,0,0,0|2,0,1]=4 1505 B15R1.127 O=C(COc1cccc(c1)Br)NCCF 240690a_100000724931_100000182359 [0,1,0,0,0,0|2,0,1]=4 1506 B15R1.127 O=C(COc1cccc(c1)Br)NCCF 527a_100000724931_100000182359 [0,1,0,0,0,0|2,0,1]=4 1507 B15R1.127 O=C(COc1cccc(c1)Br)NCCO 240690a_100000210304_100000182359 [0,1,0,0,0,0|1,0,1]=3 1508 B15R1.127 O=C(COc1cccc(c1)Br)NCCO 527a_100000210304_100000182359 [0,1,0,0,0,0|1,0,1]=3 1509 B15R1.127 O=C(COc1cccc(c1)Cl)NCCF 11a_100000724931_100000184978 [0,1,0,0,0,0|2,0,1]=4 1510 B15R1.127 O=C(COc1cccc(c1)Cl)NCCF 1626a_100000724931_100000184978 [0,1,0,0,0,0|2,0,1]=4 1511 B15R1.127 O=C(COc1cccc(c1)Cl)NCCF 240690a_100000724931_100000184978 [0,1,0,0,0,0|2,0,1]=4 1512 B15R1.127 O=C(COc1cccc(c1)Cl)NCCF 527a_100000724931_100000184978 [0,1,0,0,0,0|2,0,1]=4 1513 B15R1.127 O=C(COc1cccc(c1)Cl)NCCO 240690a_100000210304_100000184978 [0,1,0,0,0,0|1,0,1]=3 1514 B15R1.127 O=C(COc1cccc(c1)Cl)NCCO 527a_100000210304_100000184978 [0,1,0,0,0,0|1,0,1]=3 1515 B15R1.127 O=C(COc1cccc(c1)F)NCCF 11a_100000724931_100000182781 [0,1,0,0,0,0|2,0,1]=4 1516 B15R1.127 O=C(COc1cccc(c1)F)NCCF 1626a_100000724931_100000182781 [0,1,0,0,0,0|2,0,1]=4 1517 B15R1.127 O=C(COc1cccc(c1)F)NCCF 240690a_100000724931_100000182781 [0,1,0,0,0,0|2,0,1]=4 1518 B15R1.127 O=C(COc1cccc(c1)F)NCCF 527a_100000724931_100000182781 [0,1,0,0,0,0|2,0,1]=4 1519 B15R1.127 O=C(COc1cccc(c1)F)NCCO 240690a_100000210304_100000182781 [0,1,0,0,0,0|1,0,1]=3 1520 B15R1.127 O=C(COc1cccc(c1)F)NCCO 527a_100000210304_100000182781 [0,1,0,0,0,0|1,0,1]=3 1521 B15R1.127 O=C(CSc1cccc(c1)Br)NCCF 11a_100000724931_100000760868 [0,1,0,0,0,0|2,0,1]=4 1522 B15R1.127 O=C(CSc1cccc(c1)Br)NCCF 1626a_100000724931_100000760868 [0,1,0,0,0,0|2,0,1]=4 1523 B15R1.127 O=C(CSc1cccc(c1)Br)NCCF 240690a_100000724931_100000760868 [0,1,0,0,0,0|2,0,1]=4 1524 B15R1.127 O=C(CSc1cccc(c1)Br)NCCF 527a_100000724931_100000760868 [0,1,0,0,0,0|2,0,1]=4 1525 B15R1.127 O=C(CSc1cccc(c1)Br)NCCO 240690a_100000210304_100000760868 [0,1,0,0,0,0|1,0,1]=3 1526 B15R1.127 O=C(CSc1cccc(c1)Br)NCCO 527a_100000210304_100000760868 [0,1,0,0,0,0|1,0,1]=3 1527 B15R1.127 O=C(NCCF)NCc1cccc(c1)Br 2708a_100000174977_100000724931 [0,1,0,0,0,0|2,0,1]=4 1528 B15R1.127 O=C(NCCF)NCc1cccc(c1)Br 273464a_100000174977_100000724931 [0,1,0,0,0,0|2,0,1]=4 1529 B15R1.127 O=C(NCCF)NCc1cccc(c1)Br 273464a_100000724931_100000174977 [0,1,0,0,0,0|2,0,1]=4 1530 B15R1.127 O=C(NCCF)NCc1cccc(c1)Br 512a_100000174977_100000724931 [0,1,0,0,0,0|2,0,1]=4 1531 B15R1.127 O=C(NCCF)NCc1cccc(c1)Cl 2708a_100000174878_100000724931 [0,1,0,0,0,0|2,0,1]=4 1532 B15R1.127 O=C(NCCF)NCc1cccc(c1)Cl 273464a_100000174878_100000724931 [0,1,0,0,0,0|2,0,1]=4 1533 B15R1.127 O=C(NCCF)NCc1cccc(c1)Cl 273464a_100000724931_100000174878 [0,1,0,0,0,0|2,0,1]=4 1534 B15R1.127 O=C(NCCF)NCc1cccc(c1)Cl 512a_100000174878_100000724931 [0,1,0,0,0,0|2,0,1]=4 1535 B15R1.127 O=C(NCCF)NCc1cccc(c1)F 2708a_100000174948_100000724931 [0,1,0,0,0,0|2,0,1]=4 1536 B15R1.127 O=C(NCCF)NCc1cccc(c1)F 273464a_100000174948_100000724931 [0,1,0,0,0,0|2,0,1]=4 1537 B15R1.127 O=C(NCCF)NCc1cccc(c1)F 273464a_100000724931_100000174948 [0,1,0,0,0,0|2,0,1]=4 1538 B15R1.127 O=C(NCCF)NCc1cccc(c1)F 512a_100000174948_100000724931 [0,1,0,0,0,0|2,0,1]=4 1539 B15R1.127 O=C(NCCF)NCc1cccc(c1)I 2708a_100000106179_100000724931 [0,1,0,0,0,0|2,0,1]=4 1540 B15R1.127 O=C(NCCF)NCc1cccc(c1)I 273464a_100000106179_100000724931 [0,1,0,0,0,0|2,0,1]=4 1541 B15R1.127 O=C(NCCF)NCc1cccc(c1)I 273464a_100000724931_100000106179 [0,1,0,0,0,0|2,0,1]=4 1542 B15R1.127 O=C(NCCF)NCc1cccc(c1)I 512a_100000106179_100000724931 [0,1,0,0,0,0|2,0,1]=4 1543 B15R1.127 O=C(NCCF)NCc1cccc(c1)O 2708a_100000743036_100000724931 [0,1,0,0,0,0|2,0,1]=4 1544 B15R1.127 O=C(NCCF)NCc1cccc(c1)O 273464a_100000724931_100000743036 [0,1,0,0,0,0|2,0,1]=4 1545 B15R1.127 O=C(NCCF)NCc1cccc(c1)O 273464a_100000743036_100000724931 [0,1,0,0,0,0|2,0,1]=4 1546 B15R1.127 O=C(NCCF)NCc1cccc(c1)O 512a_100000743036_100000724931 [0,1,0,0,0,0|2,0,1]=4 1547 B15R1.127 O=C(NCCF)NNc1cccc(c1)Br 273464a_100000724931_100000217339 [0,1,0,0,0,0|3,0,0]=4 1548 B15R1.127 O=C(NCCF)NNc1cccc(c1)Br 512a_100000217339_100000724931 [0,1,0,0,0,0|3,0,0]=4 1549 B15R1.127 O=C(NCCF)NNc1cccc(c1)Cl 273464a_100000724931_100000184277 [0,1,0,0,0,0|3,0,0]=4 1550 B15R1.127 O=C(NCCF)NNc1cccc(c1)F 273464a_100000724931_100000745080 [0,1,0,0,0,0|3,0,0]=4 1551 B15R1.127 O=C(NCCF)NNc1cccc(c1)F 512a_100000745080_100000724931 [0,1,0,0,0,0|3,0,0]=4 1552 B15R1.127 O=C(NCCF)NNc1cccc(c1)I 273464a_100000724931_100020605690 [0,1,0,0,0,0|3,0,0]=4 1553 B15R1.127 O=C(NCCF)NNc1cccc(c1)I 512a_100020605690_100000724931 [0,1,0,0,0,0|3,0,0]=4 1554 B15R1.127 O=C(NCCO)NCc1cc(ccn1)Br 2708a_100009818019_100000210304 [0,1,0,0,0,0|2,0,1]=4 1555 B15R1.127 O=C(NCCO)NCc1cc(ccn1)Br 273464a_100000210304_100009818019 [0,1,0,0,0,0|2,0,1]=4 1556 B15R1.127 O=C(NCCO)NCc1cc(ccn1)Br 273464a_100009818019_100000210304 [0,1,0,0,0,0|2,0,1]=4 1557 B15R1.127 O=C(NCCO)NCc1cc(ccn1)Br 512a_100009818019_100000210304 [0,1,0,0,0,0|2,0,1]=4 1558 B15R1.127 O=C(NCCO)NCc1cc(ccn1)Cl 273464a_100000210304_100000085674 [0,1,0,0,0,0|2,0,1]=4 1559 B15R1.127 O=C(NCCO)NCc1cc(ccn1)Cl 512a_100000085674_100000210304 [0,1,0,0,0,0|2,0,1]=4 1560 B15R1.127 O=C(NCCO)NCc1cccc(=O)[nH]1 2708a_100000696482_100000210304 [0,1,0,0,0,0|2,0,1]=4 1561 B15R1.127 O=C(NCCO)NCc1cccc(=O)[nH]1 273464a_100000210304_100000696482 [0,1,0,0,0,0|2,0,1]=4 1562 B15R1.127 O=C(NCCO)NCc1cccc(=O)[nH]1 273464a_100000696482_100000210304 [0,1,0,0,0,0|2,0,1]=4 1563 B15R1.127 O=C(NCCO)NCc1cccc(=O)[nH]1 512a_100000696482_100000210304 [0,1,0,0,0,0|2,0,1]=4 1564 B15R1.127 O=C(NCCO)NCc1cccc(c1)Br 2708a_100000174977_100000210304 [0,1,0,0,0,0|1,0,1]=3 1565 B15R1.127 O=C(NCCO)NCc1cccc(c1)Br 273464a_100000174977_100000210304 [0,1,0,0,0,0|1,0,1]=3 1566 B15R1.127 O=C(NCCO)NCc1cccc(c1)Br 273464a_100000210304_100000174977 [0,1,0,0,0,0|1,0,1]=3 1567 B15R1.127 O=C(NCCO)NCc1cccc(c1)Br 512a_100000174977_100000210304 [0,1,0,0,0,0|1,0,1]=3 1568 B15R1.127 O=C(NCCO)NCc1cccc(c1)Cl 2708a_100000174878_100000210304 [0,1,0,0,0,0|1,0,1]=3 1569 B15R1.127 O=C(NCCO)NCc1cccc(c1)Cl 273464a_100000174878_100000210304 [0,1,0,0,0,0|1,0,1]=3 1570 B15R1.127 O=C(NCCO)NCc1cccc(c1)Cl 273464a_100000210304_100000174878 [0,1,0,0,0,0|1,0,1]=3 1571 B15R1.127 O=C(NCCO)NCc1cccc(c1)Cl 512a_100000174878_100000210304 [0,1,0,0,0,0|1,0,1]=3 1572 B15R1.127 O=C(NCCO)NCc1cccc(c1)F 2708a_100000174948_100000210304 [0,1,0,0,0,0|1,0,1]=3 1573 B15R1.127 O=C(NCCO)NCc1cccc(c1)F 273464a_100000174948_100000210304 [0,1,0,0,0,0|1,0,1]=3 1574 B15R1.127 O=C(NCCO)NCc1cccc(c1)F 273464a_100000210304_100000174948 [0,1,0,0,0,0|1,0,1]=3 1575 B15R1.127 O=C(NCCO)NCc1cccc(c1)F 512a_100000174948_100000210304 [0,1,0,0,0,0|1,0,1]=3 1576 B15R1.127 O=C(NCCO)NCc1cccc(c1)I 2708a_100000106179_100000210304 [0,1,0,0,0,0|1,0,1]=3 1577 B15R1.127 O=C(NCCO)NCc1cccc(c1)I 273464a_100000106179_100000210304 [0,1,0,0,0,0|1,0,1]=3 1578 B15R1.127 O=C(NCCO)NCc1cccc(c1)I 273464a_100000210304_100000106179 [0,1,0,0,0,0|1,0,1]=3 1579 B15R1.127 O=C(NCCO)NCc1cccc(c1)I 512a_100000106179_100000210304 [0,1,0,0,0,0|1,0,1]=3 1580 B15R1.127 O=C(NCCO)NCc1cccc(c1)O 2708a_100000743036_100000210304 [0,1,0,0,0,0|1,0,1]=3 1581 B15R1.127 O=C(NCCO)NCc1cccc(c1)O 273464a_100000210304_100000743036 [0,1,0,0,0,0|1,0,1]=3 1582 B15R1.127 O=C(NCCO)NCc1cccc(c1)O 273464a_100000743036_100000210304 [0,1,0,0,0,0|1,0,1]=3 1583 B15R1.127 O=C(NCCO)NCc1cccc(c1)O 512a_100000743036_100000210304 [0,1,0,0,0,0|1,0,1]=3 1584 B15R1.127 O=C(NCCO)NCc1cccc(n1)Br 2708a_100016987751_100000210304 [0,1,0,0,0,0|2,0,1]=4 1585 B15R1.127 O=C(NCCO)NCc1cccc(n1)Br 273464a_100000210304_100016987751 [0,1,0,0,0,0|2,0,1]=4 1586 B15R1.127 O=C(NCCO)NCc1cccc(n1)Br 273464a_100016987751_100000210304 [0,1,0,0,0,0|2,0,1]=4 1587 B15R1.127 O=C(NCCO)NCc1cccc(n1)Br 512a_100016987751_100000210304 [0,1,0,0,0,0|2,0,1]=4 1588 B15R1.127 O=C(NCCO)NCc1cccc(n1)Cl 2708a_100016990191_100000210304 [0,1,0,0,0,0|2,0,1]=4 1589 B15R1.127 O=C(NCCO)NCc1cccc(n1)Cl 273464a_100000210304_100016990191 [0,1,0,0,0,0|2,0,1]=4 1590 B15R1.127 O=C(NCCO)NCc1cccc(n1)Cl 273464a_100016990191_100000210304 [0,1,0,0,0,0|2,0,1]=4 1591 B15R1.127 O=C(NCCO)NCc1cccc(n1)Cl 512a_100016990191_100000210304 [0,1,0,0,0,0|2,0,1]=4 1592 B15R1.127 O=C(NCCO)NCc1cccc(n1)F 2708a_100015188798_100000210304 [0,1,0,0,0,0|2,0,1]=4 1593 B15R1.127 O=C(NCCO)NCc1cccc(n1)F 273464a_100000210304_100015188798 [0,1,0,0,0,0|2,0,1]=4 1594 B15R1.127 O=C(NCCO)NCc1cccc(n1)F 273464a_100015188798_100000210304 [0,1,0,0,0,0|2,0,1]=4 1595 B15R1.127 O=C(NCCO)NCc1cccc(n1)F 512a_100015188798_100000210304 [0,1,0,0,0,0|2,0,1]=4 1596 B15R1.127 O=C(NCCO)NCc1ccnc(c1)Br 2708a_100025757509_100000210304 [0,1,0,0,0,0|2,0,1]=4 1597 B15R1.127 O=C(NCCO)NCc1ccnc(c1)Br 273464a_100000210304_100025757509 [0,1,0,0,0,0|2,0,1]=4 1598 B15R1.127 O=C(NCCO)NCc1ccnc(c1)Br 273464a_100025757509_100000210304 [0,1,0,0,0,0|2,0,1]=4 1599 B15R1.127 O=C(NCCO)NCc1ccnc(c1)Br 512a_100025757509_100000210304 [0,1,0,0,0,0|2,0,1]=4 1600 B15R1.127 O=C(NCCO)NCc1ccnc(c1)Cl 2708a_100015205668_100000210304 [0,1,0,0,0,0|2,0,1]=4 1601 B15R1.127 O=C(NCCO)NCc1ccnc(c1)Cl 273464a_100000210304_100015205668 [0,1,0,0,0,0|2,0,1]=4 1602 B15R1.127 O=C(NCCO)NCc1ccnc(c1)Cl 273464a_100015205668_100000210304 [0,1,0,0,0,0|2,0,1]=4 1603 B15R1.127 O=C(NCCO)NCc1ccnc(c1)Cl 512a_100015205668_100000210304 [0,1,0,0,0,0|2,0,1]=4 1604 B15R1.127 O=C(NCCO)NCc1ccnc(c1)F 2708a_100015188774_100000210304 [0,1,0,0,0,0|2,0,1]=4 1605 B15R1.127 O=C(NCCO)NCc1ccnc(c1)F 273464a_100000210304_100015188774 [0,1,0,0,0,0|2,0,1]=4 1606 B15R1.127 O=C(NCCO)NCc1ccnc(c1)F 273464a_100015188774_100000210304 [0,1,0,0,0,0|2,0,1]=4 1607 B15R1.127 O=C(NCCO)NCc1ccnc(c1)F 512a_100015188774_100000210304 [0,1,0,0,0,0|2,0,1]=4 1608 B15R1.127 O=C(NCCO)NCc1ccnc(c1)O 2708a_100000748557_100000210304 [0,1,0,0,0,0|2,0,1]=4 1609 B15R1.127 O=C(NCCO)NCc1ccnc(c1)O 273464a_100000210304_100000748557 [0,1,0,0,0,0|2,0,1]=4 1610 B15R1.127 O=C(NCCO)NCc1ccnc(c1)O 273464a_100000748557_100000210304 [0,1,0,0,0,0|2,0,1]=4 1611 B15R1.127 O=C(NCCO)NCc1ccnc(c1)O 512a_100000748557_100000210304 [0,1,0,0,0,0|2,0,1]=4 1612 B15R1.127 O=C(NCCO)NCc1cncc(c1)Br 2708a_100011249555_100000210304 [0,1,0,0,0,0|2,0,1]=4 1613 B15R1.127 O=C(NCCO)NCc1cncc(c1)Br 273464a_100000210304_100011249555 [0,1,0,0,0,0|2,0,1]=4 1614 B15R1.127 O=C(NCCO)NCc1cncc(c1)Br 273464a_100011249555_100000210304 [0,1,0,0,0,0|2,0,1]=4 1615 B15R1.127 O=C(NCCO)NCc1cncc(c1)Br 512a_100011249555_100000210304 [0,1,0,0,0,0|2,0,1]=4 1616 B15R1.127 O=C(NCCO)NCc1cncc(c1)Cl 2708a_200020614424_100000210304 [0,1,0,0,0,0|2,0,1]=4 1617 B15R1.127 O=C(NCCO)NCc1cncc(c1)Cl 273464a_100000210304_200020614424 [0,1,0,0,0,0|2,0,1]=4 1618 B15R1.127 O=C(NCCO)NCc1cncc(c1)Cl 273464a_200020614424_100000210304 [0,1,0,0,0,0|2,0,1]=4 1619 B15R1.127 O=C(NCCO)NCc1cncc(c1)Cl 512a_200020614424_100000210304 [0,1,0,0,0,0|2,0,1]=4 1620 B15R1.127 O=C(NCCO)NCc1cncc(c1)F 2708a_100011962886_100000210304 [0,1,0,0,0,0|2,0,1]=4 1621 B15R1.127 O=C(NCCO)NCc1cncc(c1)F 273464a_100000210304_100011962886 [0,1,0,0,0,0|2,0,1]=4 1622 B15R1.127 O=C(NCCO)NCc1cncc(c1)F 273464a_100011962886_100000210304 [0,1,0,0,0,0|2,0,1]=4 1623 B15R1.127 O=C(NCCO)NCc1cncc(c1)F 512a_100011962886_100000210304 [0,1,0,0,0,0|2,0,1]=4 1624 B15R1.127 O=C(NCCO)NNc1cc(ccn1)Br 273464a_100000210304_100000764631 [0,1,0,0,0,0|3,0,0]=4 1625 B15R1.127 O=C(NCCO)NNc1cc(ccn1)Br 512a_100000764631_100000210304 [0,1,0,0,0,0|3,0,0]=4 1626 B15R1.127 O=C(NCCO)NNc1cc(ccn1)Cl 273464a_100000210304_100102524961 [0,1,0,0,0,0|3,0,0]=4 1627 B15R1.127 O=C(NCCO)NNc1cc(ccn1)I 273464a_100000210304_100010221011 [0,1,0,0,0,0|3,0,0]=4 1628 B15R1.127 O=C(NCCO)NNc1cc(ccn1)I 512a_100010221011_100000210304 [0,1,0,0,0,0|3,0,0]=4 1629 B15R1.127 O=C(NCCO)NNc1cccc(c1)Br 273464a_100000210304_100000217339 [0,1,0,0,0,0|2,0,0]=3 1630 B15R1.127 O=C(NCCO)NNc1cccc(c1)Br 512a_100000217339_100000210304 [0,1,0,0,0,0|2,0,0]=3 1631 B15R1.127 O=C(NCCO)NNc1cccc(c1)Cl 273464a_100000210304_100000184277 [0,1,0,0,0,0|2,0,0]=3 1632 B15R1.127 O=C(NCCO)NNc1cccc(c1)F 273464a_100000210304_100000745080 [0,1,0,0,0,0|2,0,0]=3 1633 B15R1.127 O=C(NCCO)NNc1cccc(c1)F 512a_100000745080_100000210304 [0,1,0,0,0,0|2,0,0]=3 1634 B15R1.127 O=C(NCCO)NNc1cccc(c1)I 273464a_100000210304_100020605690 [0,1,0,0,0,0|2,0,0]=3 1635 B15R1.127 O=C(NCCO)NNc1cccc(c1)I 512a_100020605690_100000210304 [0,1,0,0,0,0|2,0,0]=3 1636 B15R1.127 O=C(NCCO)NNc1cccc(n1)Br 273464a_100000210304_100009817029 [0,1,0,0,0,0|3,0,0]=4 1637 B15R1.127 O=C(NCCO)NNc1cccc(n1)Cl 273464a_100000210304_100102524919 [0,1,0,0,0,0|3,0,0]=4 1638 B15R1.127 O=C(NCCO)NNc1cccc(n1)F 273464a_100000210304_100000075452 [0,1,0,0,0,0|3,0,0]=4 1639 B15R1.127 O=C(NCCO)NNc1ccnc(c1)Cl 273464a_100000210304_100000089018 [0,1,0,0,0,0|3,0,0]=4 1640 B15R1.127 O=C(NCCO)NNc1cncc(c1)Br 273464a_100000210304_100000727789 [0,1,0,0,0,0|3,0,0]=4 1641 B15R1.127 O=C(NCCO)NNc1cncc(c1)Br 512a_100000727789_100000210304 [0,1,0,0,0,0|3,0,0]=4 1642 B15R1.127 O=C(NCCO)NNc1cncc(c1)F 273464a_100000210304_200011955905 [0,1,0,0,0,0|3,0,0]=4 1643 B15R1.127 O=C(NCCO)NNc1cncc(c1)F 512a_200011955905_100000210304 [0,1,0,0,0,0|3,0,0]=4 1644 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000753159 [0,1,0,0,0,0|2,0,1]=4 1645 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000753159 [0,1,0,0,0,0|2,0,1]=4 1646 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000753159 [0,1,0,0,0,0|2,0,1]=4 1647 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000753159 [0,1,0,0,0,0|2,0,1]=4 1648 B15R1.139 C#CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000753159 [0,1,0,0,0,0|2,0,1]=4 1649 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)Br 11a_100000212058_100016267368 [0,1,0,0,0,0|1,0,1]=3 1650 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000212058_100016267368 [0,1,0,0,0,0|1,0,1]=3 1651 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)C 11a_100000212058_100000716854 [0,1,0,0,0,0|1,0,1]=3 1652 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)C 1626a_100000212058_100000716854 [0,1,0,0,0,0|1,0,1]=3 1653 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)C 240690a_100000212058_100000716854 [0,1,0,0,0,0|1,0,1]=3 1654 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000212058_100000184863 [0,1,0,0,0,0|1,0,1]=3 1655 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000212058_100000184863 [0,1,0,0,0,0|1,0,1]=3 1656 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000212058_100000184863 [0,1,0,0,0,0|1,0,1]=3 1657 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)F 11a_100000212058_100000182136 [0,1,0,0,0,0|1,0,1]=3 1658 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)F 1626a_100000212058_100000182136 [0,1,0,0,0,0|1,0,1]=3 1659 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)F 240690a_100000212058_100000182136 [0,1,0,0,0,0|1,0,1]=3 1660 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)I 11a_100000212058_100102526154 [0,1,0,0,0,0|1,0,1]=3 1661 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)I 1626a_100000212058_100102526154 [0,1,0,0,0,0|1,0,1]=3 1662 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)I 240690a_100000212058_100102526154 [0,1,0,0,0,0|1,0,1]=3 1663 B15R1.139 C#CCNC(=O)C=Cc1ccc(cc1)O 240690a_100000212058_100016269017 [0,1,0,0,0,0|1,0,1]=3 1664 B15R1.139 C#CCNC(=O)C=Cc1ccc(cn1)F 11a_100000212058_100020630499 [0,1,0,0,0,0|2,0,1]=4 1665 B15R1.139 C#CCNC(=O)C=Cc1ccc(cn1)F 1626a_100000212058_100020630499 [0,1,0,0,0,0|2,0,1]=4 1666 B15R1.139 C#CCNC(=O)C=Cc1ccc(cn1)F 240690a_100000212058_100020630499 [0,1,0,0,0,0|2,0,1]=4 1667 B15R1.139 C#CCNC(=O)C=Cc1ccc(nc1)Br 11a_100000212058_100020588214 [0,1,0,0,0,0|2,0,1]=4 1668 B15R1.139 C#CCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000212058_100020588214 [0,1,0,0,0,0|2,0,1]=4 1669 B15R1.139 C#CCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000212058_100020588214 [0,1,0,0,0,0|2,0,1]=4 1670 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000754431 [0,1,0,0,0,0|2,0,1]=4 1671 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000762624 [0,1,0,0,0,0|2,0,1]=4 1672 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000754431 [0,1,0,0,0,0|2,0,1]=4 1673 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000754431 [0,1,0,0,0,0|2,0,1]=4 1674 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000754431 [0,1,0,0,0,0|2,0,1]=4 1675 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000762624 [0,1,0,0,0,0|2,0,1]=4 1676 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000754431 [0,1,0,0,0,0|2,0,1]=4 1677 B15R1.139 C=CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000762624 [0,1,0,0,0,0|2,0,1]=4 1678 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100020586998_100016267368 [0,1,0,0,0,0|1,0,1]=3 1679 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)C 1626a_100020586998_100000716854 [0,1,0,0,0,0|1,0,1]=3 1680 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)C 240690a_100020586998_100000716854 [0,1,0,0,0,0|1,0,1]=3 1681 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020586998_100000184863 [0,1,0,0,0,0|1,0,1]=3 1682 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020586998_100000184863 [0,1,0,0,0,0|1,0,1]=3 1683 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)F 1626a_100020586998_100000182136 [0,1,0,0,0,0|1,0,1]=3 1684 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)F 240690a_100020586998_100000182136 [0,1,0,0,0,0|1,0,1]=3 1685 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)I 1626a_100020586998_100102526154 [0,1,0,0,0,0|1,0,1]=3 1686 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)I 240690a_100020586998_100102526154 [0,1,0,0,0,0|1,0,1]=3 1687 B15R1.139 C=CCNC(=O)C=Cc1ccc(cc1)O 240690a_100020586998_100016269017 [0,1,0,0,0,0|1,0,1]=3 1688 B15R1.139 C=CCNC(=O)C=Cc1ccc(cn1)F 1626a_100020586998_100020630499 [0,1,0,0,0,0|2,0,1]=4 1689 B15R1.139 C=CCNC(=O)C=Cc1ccc(cn1)F 240690a_100020586998_100020630499 [0,1,0,0,0,0|2,0,1]=4 1690 B15R1.139 C=CCNC(=O)C=Cc1ccc(nc1)Br 1626a_100020586998_100020588214 [0,1,0,0,0,0|2,0,1]=4 1691 B15R1.139 C=CCNC(=O)C=Cc1ccc(nc1)Br 240690a_100020586998_100020588214 [0,1,0,0,0,0|2,0,1]=4 1692 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210211 [0,1,0,0,0,0|2,0,0]=3 1693 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000032102 [0,1,0,0,0,0|2,0,0]=3 1694 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210211 [0,1,0,0,0,0|2,0,0]=3 1695 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210211 [0,1,0,0,0,0|2,0,0]=3 1696 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210211 [0,1,0,0,0,0|2,0,0]=3 1697 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000032102 [0,1,0,0,0,0|2,0,0]=3 1698 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210211 [0,1,0,0,0,0|2,0,0]=3 1699 B15R1.139 CCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000032102 [0,1,0,0,0,0|2,0,0]=3 1700 B15R1.139 CCCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000032102 [0,1,0,0,0,0|3,0,0]=4 1701 B15R1.139 CCCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210211 [0,1,0,0,0,0|3,0,0]=4 1702 B15R1.139 CCCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000032102 [0,1,0,0,0,0|3,0,0]=4 1703 B15R1.139 CCCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210211 [0,1,0,0,0,0|3,0,0]=4 1704 B15R1.139 CCCNC(=O)C#Cc1ccc(cc1)Cl 240690a_100020643023_100011892723 [0,1,0,0,0,0|1,0,2]=4 1705 B15R1.139 CCCNC(=O)C#Cc1ccc(cc1)F 240690a_100020643023_100000238512 [0,1,0,0,0,0|1,0,2]=4 1706 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br 11a_100020643023_100016267368 [0,1,0,0,0,0|1,0,0]=2 1707 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100020643023_100016267368 [0,1,0,0,0,0|1,0,0]=2 1708 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C 11a_100020643023_100000716854 [0,1,0,0,0,0|1,0,0]=2 1709 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C 1626a_100020643023_100000716854 [0,1,0,0,0,0|1,0,0]=2 1710 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)C 240690a_100020643023_100000716854 [0,1,0,0,0,0|1,0,0]=2 1711 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100020643023_100000184863 [0,1,0,0,0,0|1,0,0]=2 1712 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020643023_100000184863 [0,1,0,0,0,0|1,0,0]=2 1713 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020643023_100000184863 [0,1,0,0,0,0|1,0,0]=2 1714 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F 11a_100020643023_100000182136 [0,1,0,0,0,0|1,0,0]=2 1715 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F 1626a_100020643023_100000182136 [0,1,0,0,0,0|1,0,0]=2 1716 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)F 240690a_100020643023_100000182136 [0,1,0,0,0,0|1,0,0]=2 1717 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)I 11a_100020643023_100102526154 [0,1,0,0,0,0|1,0,0]=2 1718 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)I 1626a_100020643023_100102526154 [0,1,0,0,0,0|1,0,0]=2 1719 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)I 240690a_100020643023_100102526154 [0,1,0,0,0,0|1,0,0]=2 1720 B15R1.139 CCCNC(=O)C=Cc1ccc(cc1)O 240690a_100020643023_100016269017 [0,1,0,0,0,0|1,0,0]=2 1721 B15R1.139 CCCNC(=O)C=Cc1ccc(cn1)F 11a_100020643023_100020630499 [0,1,0,0,0,0|2,0,0]=3 1722 B15R1.139 CCCNC(=O)C=Cc1ccc(cn1)F 1626a_100020643023_100020630499 [0,1,0,0,0,0|2,0,0]=3 1723 B15R1.139 CCCNC(=O)C=Cc1ccc(cn1)F 240690a_100020643023_100020630499 [0,1,0,0,0,0|2,0,0]=3 1724 B15R1.139 CCCNC(=O)C=Cc1ccc(nc1)Br 11a_100020643023_100020588214 [0,1,0,0,0,0|2,0,0]=3 1725 B15R1.139 CCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100020643023_100020588214 [0,1,0,0,0,0|2,0,0]=3 1726 B15R1.139 CCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100020643023_100020588214 [0,1,0,0,0,0|2,0,0]=3 1727 B15R1.139 CCCNC(=O)CCc1ccc(cc1)Br 11a_100020643023_100000217147 [0,1,0,0,0,0|1,0,2]=4 1728 B15R1.139 CCCNC(=O)CCc1ccc(cc1)Br 1626a_100020643023_100000217147 [0,1,0,0,0,0|1,0,2]=4 1729 B15R1.139 CCCNC(=O)CCc1ccc(cc1)Br 240690a_100020643023_100000217147 [0,1,0,0,0,0|1,0,2]=4 1730 B15R1.139 CCCNC(=O)CCc1ccc(cc1)Br 527a_100020643023_100000217147 [0,1,0,0,0,0|1,0,2]=4 1731 B15R1.139 CCCNC(=O)CCc1ccc(cc1)C 11a_100020643023_100000234883 [0,1,0,0,0,0|1,0,2]=4 1732 B15R1.139 CCCNC(=O)CCc1ccc(cc1)C 1626a_100020643023_100000234883 [0,1,0,0,0,0|1,0,2]=4 1733 B15R1.139 CCCNC(=O)CCc1ccc(cc1)C 240690a_100020643023_100000234883 [0,1,0,0,0,0|1,0,2]=4 1734 B15R1.139 CCCNC(=O)CCc1ccc(cc1)C 527a_100020643023_100000234883 [0,1,0,0,0,0|1,0,2]=4 1735 B15R1.139 CCCNC(=O)CCc1ccc(cc1)Cl 11a_100020643023_100000235379 [0,1,0,0,0,0|1,0,2]=4 1736 B15R1.139 CCCNC(=O)CCc1ccc(cc1)Cl 1626a_100020643023_100000235379 [0,1,0,0,0,0|1,0,2]=4 1737 B15R1.139 CCCNC(=O)CCc1ccc(cc1)Cl 240690a_100020643023_100000235379 [0,1,0,0,0,0|1,0,2]=4 1738 B15R1.139 CCCNC(=O)CCc1ccc(cc1)Cl 527a_100020643023_100000235379 [0,1,0,0,0,0|1,0,2]=4 1739 B15R1.139 CCCNC(=O)CCc1ccc(cc1)F 11a_100020643023_100000198493 [0,1,0,0,0,0|1,0,2]=4 1740 B15R1.139 CCCNC(=O)CCc1ccc(cc1)F 1626a_100020643023_100000198493 [0,1,0,0,0,0|1,0,2]=4 1741 B15R1.139 CCCNC(=O)CCc1ccc(cc1)F 240690a_100020643023_100000198493 [0,1,0,0,0,0|1,0,2]=4 1742 B15R1.139 CCCNC(=O)CCc1ccc(cc1)F 527a_100020643023_100000198493 [0,1,0,0,0,0|1,0,2]=4 1743 B15R1.139 CCCNC(=O)CCc1ccc(cc1)I 11a_100020643023_100011217499 [0,1,0,0,0,0|1,0,2]=4 1744 B15R1.139 CCCNC(=O)CCc1ccc(cc1)I 1626a_100020643023_100011217499 [0,1,0,0,0,0|1,0,2]=4 1745 B15R1.139 CCCNC(=O)CCc1ccc(cc1)I 240690a_100020643023_100011217499 [0,1,0,0,0,0|1,0,2]=4 1746 B15R1.139 CCCNC(=O)CCc1ccc(cc1)I 527a_100020643023_100011217499 [0,1,0,0,0,0|1,0,2]=4 1747 B15R1.139 CCCNC(=O)CCc1ccc(cc1)O 240690a_100020643023_100000742835 [0,1,0,0,0,0|1,0,2]=4 1748 B15R1.139 CCCNC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000183358 [0,1,0,0,0,0|2,0,1]=4 1749 B15R1.139 CCCNC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000183358 [0,1,0,0,0,0|2,0,1]=4 1750 B15R1.139 CCCNC(=O)CNc1ccc(cc1)C 34a_100000124888_100000183358 [0,1,0,0,0,0|2,0,1]=4 1751 B15R1.139 CCCNC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000183358 [0,1,0,0,0,0|2,0,1]=4 1752 B15R1.139 CCCNC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000183358 [0,1,0,0,0,0|2,0,1]=4 1753 B15R1.139 CCCNC(=O)CNc1ccc(cc1)F 34a_100000185862_100000183358 [0,1,0,0,0,0|2,0,1]=4 1754 B15R1.139 CCCNC(=O)CNc1ccc(cc1)I 34a_100000185761_100000183358 [0,1,0,0,0,0|2,0,1]=4 1755 B15R1.139 CCCNC(=O)CNc1ccc(cc1)O 34a_100000185829_100000183358 [0,1,0,0,0,0|2,0,1]=4 1756 B15R1.139 CCCNC(=O)COc1ccc(cc1)Br 11a_100020643023_100000182358 [0,1,0,0,0,0|2,0,1]=4 1757 B15R1.139 CCCNC(=O)COc1ccc(cc1)Br 1626a_100020643023_100000182358 [0,1,0,0,0,0|2,0,1]=4 1758 B15R1.139 CCCNC(=O)COc1ccc(cc1)Br 240690a_100020643023_100000182358 [0,1,0,0,0,0|2,0,1]=4 1759 B15R1.139 CCCNC(=O)COc1ccc(cc1)Br 34a_100000185759_100000183358 [0,1,0,0,0,0|2,0,1]=4 1760 B15R1.139 CCCNC(=O)COc1ccc(cc1)Br 527a_100020643023_100000182358 [0,1,0,0,0,0|2,0,1]=4 1761 B15R1.139 CCCNC(=O)COc1ccc(cc1)Br 7a_100000185759_100000183358 [0,1,0,0,0,0|2,0,1]=4 1762 B15R1.139 CCCNC(=O)COc1ccc(cc1)C 11a_100020643023_100000182360 [0,1,0,0,0,0|2,0,1]=4 1763 B15R1.139 CCCNC(=O)COc1ccc(cc1)C 1626a_100020643023_100000182360 [0,1,0,0,0,0|2,0,1]=4 1764 B15R1.139 CCCNC(=O)COc1ccc(cc1)C 240690a_100020643023_100000182360 [0,1,0,0,0,0|2,0,1]=4 1765 B15R1.139 CCCNC(=O)COc1ccc(cc1)C 34a_100000210336_100000183358 [0,1,0,0,0,0|2,0,1]=4 1766 B15R1.139 CCCNC(=O)COc1ccc(cc1)C 527a_100020643023_100000182360 [0,1,0,0,0,0|2,0,1]=4 1767 B15R1.139 CCCNC(=O)COc1ccc(cc1)C 7a_100000210336_100000183358 [0,1,0,0,0,0|2,0,1]=4 1768 B15R1.139 CCCNC(=O)COc1ccc(cc1)Cl 11a_100020643023_100016990877 [0,1,0,0,0,0|2,0,1]=4 1769 B15R1.139 CCCNC(=O)COc1ccc(cc1)Cl 1626a_100020643023_100016990877 [0,1,0,0,0,0|2,0,1]=4 1770 B15R1.139 CCCNC(=O)COc1ccc(cc1)Cl 240690a_100020643023_100016990877 [0,1,0,0,0,0|2,0,1]=4 1771 B15R1.139 CCCNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183358 [0,1,0,0,0,0|2,0,1]=4 1772 B15R1.139 CCCNC(=O)COc1ccc(cc1)Cl 527a_100020643023_100016990877 [0,1,0,0,0,0|2,0,1]=4 1773 B15R1.139 CCCNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183358 [0,1,0,0,0,0|2,0,1]=4 1774 B15R1.139 CCCNC(=O)COc1ccc(cc1)F 11a_100020643023_100000184765 [0,1,0,0,0,0|2,0,1]=4 1775 B15R1.139 CCCNC(=O)COc1ccc(cc1)F 1626a_100020643023_100000184765 [0,1,0,0,0,0|2,0,1]=4 1776 B15R1.139 CCCNC(=O)COc1ccc(cc1)F 240690a_100020643023_100000184765 [0,1,0,0,0,0|2,0,1]=4 1777 B15R1.139 CCCNC(=O)COc1ccc(cc1)F 34a_100000210339_100000183358 [0,1,0,0,0,0|2,0,1]=4 1778 B15R1.139 CCCNC(=O)COc1ccc(cc1)F 527a_100020643023_100000184765 [0,1,0,0,0,0|2,0,1]=4 1779 B15R1.139 CCCNC(=O)COc1ccc(cc1)I 11a_100020643023_100000184369 [0,1,0,0,0,0|2,0,1]=4 1780 B15R1.139 CCCNC(=O)COc1ccc(cc1)I 1626a_100020643023_100000184369 [0,1,0,0,0,0|2,0,1]=4 1781 B15R1.139 CCCNC(=O)COc1ccc(cc1)I 240690a_100020643023_100000184369 [0,1,0,0,0,0|2,0,1]=4 1782 B15R1.139 CCCNC(=O)COc1ccc(cc1)I 34a_100000212066_100000183358 [0,1,0,0,0,0|2,0,1]=4 1783 B15R1.139 CCCNC(=O)COc1ccc(cc1)I 527a_100020643023_100000184369 [0,1,0,0,0,0|2,0,1]=4 1784 B15R1.139 CCCNC(=O)COc1ccc(cc1)I 7a_100000212066_100000183358 [0,1,0,0,0,0|2,0,1]=4 1785 B15R1.139 CCCNC(=O)COc1ccc(cc1)N 34a_100000185829_100000183358 [0,1,0,0,0,0|2,0,1]=4 1786 B15R1.139 CCCNC(=O)COc1ccc(cc1)O 240690a_100020643023_100000031633 [0,1,0,0,0,0|2,0,1]=4 1787 B15R1.139 CCCNC(=O)COc1ccc(cc1)O 527a_100020643023_100000031633 [0,1,0,0,0,0|2,0,1]=4 1788 B15R1.139 CCCNC(=O)CSc1ccc(cc1)Br 11a_100020643023_100000179496 [0,1,0,0,0,0|2,0,1]=4 1789 B15R1.139 CCCNC(=O)CSc1ccc(cc1)Br 1626a_100020643023_100000179496 [0,1,0,0,0,0|2,0,1]=4 1790 B15R1.139 CCCNC(=O)CSc1ccc(cc1)Br 240690a_100020643023_100000179496 [0,1,0,0,0,0|2,0,1]=4 1791 B15R1.139 CCCNC(=O)CSc1ccc(cc1)Br 527a_100020643023_100000179496 [0,1,0,0,0,0|2,0,1]=4 1792 B15R1.139 CCCNC(=O)CSc1ccc(cc1)Br 62a_100000183358_100000752885 [0,1,0,0,0,0|2,0,1]=4 1793 B15R1.139 CCCNC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000183358 [0,1,0,0,0,0|2,0,1]=4 1794 B15R1.139 CCCNC(=O)CSc1ccc(cc1)C 11a_100020643023_100000179497 [0,1,0,0,0,0|2,0,1]=4 1795 B15R1.139 CCCNC(=O)CSc1ccc(cc1)C 1626a_100020643023_100000179497 [0,1,0,0,0,0|2,0,1]=4 1796 B15R1.139 CCCNC(=O)CSc1ccc(cc1)C 240690a_100020643023_100000179497 [0,1,0,0,0,0|2,0,1]=4 1797 B15R1.139 CCCNC(=O)CSc1ccc(cc1)C 527a_100020643023_100000179497 [0,1,0,0,0,0|2,0,1]=4 1798 B15R1.139 CCCNC(=O)CSc1ccc(cc1)C 62a_100000183358_100000186775 [0,1,0,0,0,0|2,0,1]=4 1799 B15R1.139 CCCNC(=O)CSc1ccc(cc1)C 62a_100000186775_100000183358 [0,1,0,0,0,0|2,0,1]=4 1800 B15R1.139 CCCNC(=O)CSc1ccc(cc1)Cl 11a_100020643023_100000178402 [0,1,0,0,0,0|2,0,1]=4 1801 B15R1.139 CCCNC(=O)CSc1ccc(cc1)Cl 1626a_100020643023_100000178402 [0,1,0,0,0,0|2,0,1]=4 1802 B15R1.139 CCCNC(=O)CSc1ccc(cc1)Cl 240690a_100020643023_100000178402 [0,1,0,0,0,0|2,0,1]=4 1803 B15R1.139 CCCNC(=O)CSc1ccc(cc1)Cl 527a_100020643023_100000178402 [0,1,0,0,0,0|2,0,1]=4 1804 B15R1.139 CCCNC(=O)CSc1ccc(cc1)Cl 62a_100000183358_100000755918 [0,1,0,0,0,0|2,0,1]=4 1805 B15R1.139 CCCNC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000183358 [0,1,0,0,0,0|2,0,1]=4 1806 B15R1.139 CCCNC(=O)CSc1ccc(cc1)F 11a_100020643023_100000691584 [0,1,0,0,0,0|2,0,1]=4 1807 B15R1.139 CCCNC(=O)CSc1ccc(cc1)F 1626a_100020643023_100000691584 [0,1,0,0,0,0|2,0,1]=4 1808 B15R1.139 CCCNC(=O)CSc1ccc(cc1)F 240690a_100020643023_100000691584 [0,1,0,0,0,0|2,0,1]=4 1809 B15R1.139 CCCNC(=O)CSc1ccc(cc1)F 527a_100020643023_100000691584 [0,1,0,0,0,0|2,0,1]=4 1810 B15R1.139 CCCNC(=O)CSc1ccc(cc1)F 62a_100000183358_100000211213 [0,1,0,0,0,0|2,0,1]=4 1811 B15R1.139 CCCNC(=O)CSc1ccc(cc1)F 62a_100000211213_100000183358 [0,1,0,0,0,0|2,0,1]=4 1812 B15R1.139 CCCNC(=O)CSc1ccc(cc1)N 62a_100000183358_100000185761 [0,1,0,0,0,0|2,0,1]=4 1813 B15R1.139 CCCNC(=O)CSc1ccc(cc1)N 62a_100000185761_100000183358 [0,1,0,0,0,0|2,0,1]=4 1814 B15R1.139 CCCNC(=O)CSc1ccc(cc1)O 62a_100000183358_100000185759 [0,1,0,0,0,0|2,0,1]=4 1815 B15R1.139 CCCNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_100020643023 [0,1,0,0,0,0|2,0,1]=4 1816 B15R1.139 CCCNC(=O)NCc1ccc(cc1)Br 2708a_100020643023_100000174875 [0,1,0,0,0,0|2,0,1]=4 1817 B15R1.139 CCCNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100020643023 [0,1,0,0,0,0|2,0,1]=4 1818 B15R1.139 CCCNC(=O)NCc1ccc(cc1)Br 273464a_100020643023_100000174875 [0,1,0,0,0,0|2,0,1]=4 1819 B15R1.139 CCCNC(=O)NCc1ccc(cc1)Br 512a_100000174875_100020643023 [0,1,0,0,0,0|2,0,1]=4 1820 B15R1.139 CCCNC(=O)NCc1ccc(cc1)Br 512a_100020643023_100000174875 [0,1,0,0,0,0|2,0,1]=4 1821 B15R1.139 CCCNC(=O)NCc1ccc(cc1)C 2708a_100000174908_100020643023 [0,1,0,0,0,0|2,0,1]=4 1822 B15R1.139 CCCNC(=O)NCc1ccc(cc1)C 2708a_100020643023_100000174908 [0,1,0,0,0,0|2,0,1]=4 1823 B15R1.139 CCCNC(=O)NCc1ccc(cc1)C 273464a_100000174908_100020643023 [0,1,0,0,0,0|2,0,1]=4 1824 B15R1.139 CCCNC(=O)NCc1ccc(cc1)C 273464a_100020643023_100000174908 [0,1,0,0,0,0|2,0,1]=4 1825 B15R1.139 CCCNC(=O)NCc1ccc(cc1)C 512a_100000174908_100020643023 [0,1,0,0,0,0|2,0,1]=4 1826 B15R1.139 CCCNC(=O)NCc1ccc(cc1)C 512a_100020643023_100000174908 [0,1,0,0,0,0|2,0,1]=4 1827 B15R1.139 CCCNC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_100020643023 [0,1,0,0,0,0|2,0,1]=4 1828 B15R1.139 CCCNC(=O)NCc1ccc(cc1)Cl 2708a_100020643023_100000174871 [0,1,0,0,0,0|2,0,1]=4 1829 B15R1.139 CCCNC(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100020643023 [0,1,0,0,0,0|2,0,1]=4 1830 B15R1.139 CCCNC(=O)NCc1ccc(cc1)Cl 273464a_100020643023_100000174871 [0,1,0,0,0,0|2,0,1]=4 1831 B15R1.139 CCCNC(=O)NCc1ccc(cc1)Cl 512a_100020643023_100000174871 [0,1,0,0,0,0|2,0,1]=4 1832 B15R1.139 CCCNC(=O)NCc1ccc(cc1)F 2708a_100000174882_100020643023 [0,1,0,0,0,0|2,0,1]=4 1833 B15R1.139 CCCNC(=O)NCc1ccc(cc1)F 2708a_100020643023_100000174882 [0,1,0,0,0,0|2,0,1]=4 1834 B15R1.139 CCCNC(=O)NCc1ccc(cc1)F 273464a_100000174882_100020643023 [0,1,0,0,0,0|2,0,1]=4 1835 B15R1.139 CCCNC(=O)NCc1ccc(cc1)F 273464a_100020643023_100000174882 [0,1,0,0,0,0|2,0,1]=4 1836 B15R1.139 CCCNC(=O)NCc1ccc(cc1)F 512a_100000174882_100020643023 [0,1,0,0,0,0|2,0,1]=4 1837 B15R1.139 CCCNC(=O)NCc1ccc(cc1)F 512a_100020643023_100000174882 [0,1,0,0,0,0|2,0,1]=4 1838 B15R1.139 CCCNC(=O)NCc1ccc(cc1)I 2708a_100016989417_100020643023 [0,1,0,0,0,0|2,0,1]=4 1839 B15R1.139 CCCNC(=O)NCc1ccc(cc1)I 2708a_100020643023_100016989417 [0,1,0,0,0,0|2,0,1]=4 1840 B15R1.139 CCCNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100020643023 [0,1,0,0,0,0|2,0,1]=4 1841 B15R1.139 CCCNC(=O)NCc1ccc(cc1)I 273464a_100020643023_100016989417 [0,1,0,0,0,0|2,0,1]=4 1842 B15R1.139 CCCNC(=O)NCc1ccc(cc1)I 512a_100016989417_100020643023 [0,1,0,0,0,0|2,0,1]=4 1843 B15R1.139 CCCNC(=O)NCc1ccc(cc1)I 512a_100020643023_100016989417 [0,1,0,0,0,0|2,0,1]=4 1844 B15R1.139 CCCNC(=O)NCc1ccc(cc1)O 2708a_100000185549_100020643023 [0,1,0,0,0,0|2,0,1]=4 1845 B15R1.139 CCCNC(=O)NCc1ccc(cc1)O 2708a_100020643023_100000185549 [0,1,0,0,0,0|2,0,1]=4 1846 B15R1.139 CCCNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100020643023 [0,1,0,0,0,0|2,0,1]=4 1847 B15R1.139 CCCNC(=O)NCc1ccc(cc1)O 273464a_100020643023_100000185549 [0,1,0,0,0,0|2,0,1]=4 1848 B15R1.139 CCCNC(=O)NCc1ccc(cc1)O 512a_100020643023_100000185549 [0,1,0,0,0,0|2,0,1]=4 1849 B15R1.139 CCCNC(=O)NNc1ccc(cc1)Br 273464a_100020643023_100000735608 [0,1,0,0,0,0|3,0,0]=4 1850 B15R1.139 CCCNC(=O)NNc1ccc(cc1)Br 512a_100020643023_100000735608 [0,1,0,0,0,0|3,0,0]=4 1851 B15R1.139 CCCNC(=O)NNc1ccc(cc1)C 273464a_100020643023_100000683527 [0,1,0,0,0,0|3,0,0]=4 1852 B15R1.139 CCCNC(=O)NNc1ccc(cc1)C 512a_100020643023_100000683527 [0,1,0,0,0,0|3,0,0]=4 1853 B15R1.139 CCCNC(=O)NNc1ccc(cc1)Cl 273464a_100020643023_100000683521 [0,1,0,0,0,0|3,0,0]=4 1854 B15R1.139 CCCNC(=O)NNc1ccc(cc1)Cl 512a_100020643023_100000683521 [0,1,0,0,0,0|3,0,0]=4 1855 B15R1.139 CCCNC(=O)NNc1ccc(cc1)F 273464a_100020643023_100000728448 [0,1,0,0,0,0|3,0,0]=4 1856 B15R1.139 CCCNC(=O)NNc1ccc(cc1)F 512a_100020643023_100000728448 [0,1,0,0,0,0|3,0,0]=4 1857 B15R1.139 CCCNC(=O)NNc1ccc(cc1)I 273464a_100020643023_100016988836 [0,1,0,0,0,0|3,0,0]=4 1858 B15R1.139 CCCNC(=O)NNc1ccc(cc1)I 512a_100020643023_100016988836 [0,1,0,0,0,0|3,0,0]=4 1859 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)Br 22a_100000756455_100016267368 [0,1,0,0,0,0|2,0,0]=3 1860 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)C 22a_100000756455_100000716854 [0,1,0,0,0,0|2,0,0]=3 1861 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)Cl 22a_100000756455_100000184863 [0,1,0,0,0,0|2,0,0]=3 1862 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)F 22a_100000756455_100000182136 [0,1,0,0,0,0|2,0,0]=3 1863 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)I 22a_100000756455_100102526154 [0,1,0,0,0,0|2,0,0]=3 1864 B15R1.139 CCNNC(=O)C=Cc1ccc(cc1)O 22a_100000756455_100016269017 [0,1,0,0,0,0|2,0,0]=3 1865 B15R1.139 CCNNC(=O)C=Cc1ccc(cn1)F 22a_100000756455_100020630499 [0,1,0,0,0,0|3,0,0]=4 1866 B15R1.139 CCNNC(=O)C=Cc1ccc(nc1)Br 22a_100000756455_100020588214 [0,1,0,0,0,0|3,0,0]=4 1867 B15R1.139 CCOCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000209952 [0,1,0,0,0,0|3,0,0]=4 1868 B15R1.139 CCOCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000209952 [0,1,0,0,0,0|3,0,0]=4 1869 B15R1.139 CCOCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000209952 [0,1,0,0,0,0|3,0,0]=4 1870 B15R1.139 CCSCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_200011216171 [0,1,0,0,0,0|3,0,0]=4 1871 B15R1.139 CCSCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_200011216171 [0,1,0,0,0,0|3,0,0]=4 1872 B15R1.139 CCSCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_200011216171 [0,1,0,0,0,0|3,0,0]=4 1873 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000233755 [0,1,0,0,0,0|3,0,0]=4 1874 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000742357 [0,1,0,0,0,0|3,0,0]=4 1875 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000233755 [0,1,0,0,0,0|3,0,0]=4 1876 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000233755 [0,1,0,0,0,0|3,0,0]=4 1877 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000233755 [0,1,0,0,0,0|3,0,0]=4 1878 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000742357 [0,1,0,0,0,0|3,0,0]=4 1879 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000233755 [0,1,0,0,0,0|3,0,0]=4 1880 B15R1.139 COCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000742357 [0,1,0,0,0,0|3,0,0]=4 1881 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000751147 [0,1,0,0,0,0|3,0,0]=4 1882 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011217047 [0,1,0,0,0,0|3,0,0]=4 1883 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000751147 [0,1,0,0,0,0|3,0,0]=4 1884 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000751147 [0,1,0,0,0,0|3,0,0]=4 1885 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000751147 [0,1,0,0,0,0|3,0,0]=4 1886 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011217047 [0,1,0,0,0,0|3,0,0]=4 1887 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000751147 [0,1,0,0,0,0|3,0,0]=4 1888 B15R1.139 CSCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011217047 [0,1,0,0,0,0|3,0,0]=4 1889 B15R1.139 Cc1ccc(cc1)C=CC(=O)CCC#N 1458a_100000716854_100011215226 [0,1,0,0,0,0|2,0,1]=4 1890 B15R1.139 Cc1ccc(cc1)C=CC(=O)CCCF 1458a_100000716854_100011934791 [0,1,0,0,0,0|2,0,0]=3 1891 B15R1.139 Cc1ccc(cc1)C=CC(=O)CCCO 1458a_100000716854_100011215043 [0,1,0,0,0,0|1,0,0]=2 1892 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCC#N 1626a_100000734998_100000716854 [0,1,0,0,0,0|1,0,1]=3 1893 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF 11a_100000724931_100000716854 [0,1,0,0,0,0|1,0,0]=2 1894 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF 1626a_100000724931_100000716854 [0,1,0,0,0,0|1,0,0]=2 1895 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCF 240690a_100000724931_100000716854 [0,1,0,0,0,0|1,0,0]=2 1896 B15R1.139 Cc1ccc(cc1)C=CC(=O)NCCO 240690a_100000210304_100000716854 [0,1,0,0,0,0|0,0,0]=1 1897 B15R1.139 Cc1ccc(cc1)CCC(=O)CCCO 1458a_100000234883_100011215043 [0,1,0,0,0,0|1,0,2]=4 1898 B15R1.139 Cc1ccc(cc1)CCC(=O)NCCF 11a_100000724931_100000234883 [0,1,0,0,0,0|1,0,2]=4 1899 B15R1.139 Cc1ccc(cc1)CCC(=O)NCCF 1626a_100000724931_100000234883 [0,1,0,0,0,0|1,0,2]=4 1900 B15R1.139 Cc1ccc(cc1)CCC(=O)NCCF 240690a_100000724931_100000234883 [0,1,0,0,0,0|1,0,2]=4 1901 B15R1.139 Cc1ccc(cc1)CCC(=O)NCCF 527a_100000724931_100000234883 [0,1,0,0,0,0|1,0,2]=4 1902 B15R1.139 Cc1ccc(cc1)CCC(=O)NCCO 240690a_100000210304_100000234883 [0,1,0,0,0,0|0,0,2]=3 1903 B15R1.139 Cc1ccc(cc1)CCC(=O)NCCO 527a_100000210304_100000234883 [0,1,0,0,0,0|0,0,2]=3 1904 B15R1.139 Cc1ccc(cc1)CNC(=O)NCCF 2708a_100000174908_100000724931 [0,1,0,0,0,0|2,0,1]=4 1905 B15R1.139 Cc1ccc(cc1)CNC(=O)NCCF 273464a_100000174908_100000724931 [0,1,0,0,0,0|2,0,1]=4 1906 B15R1.139 Cc1ccc(cc1)CNC(=O)NCCF 273464a_100000724931_100000174908 [0,1,0,0,0,0|2,0,1]=4 1907 B15R1.139 Cc1ccc(cc1)CNC(=O)NCCF 512a_100000174908_100000724931 [0,1,0,0,0,0|2,0,1]=4 1908 B15R1.139 Cc1ccc(cc1)CNC(=O)NCCO 2708a_100000174908_100000210304 [0,1,0,0,0,0|1,0,1]=3 1909 B15R1.139 Cc1ccc(cc1)CNC(=O)NCCO 273464a_100000174908_100000210304 [0,1,0,0,0,0|1,0,1]=3 1910 B15R1.139 Cc1ccc(cc1)CNC(=O)NCCO 273464a_100000210304_100000174908 [0,1,0,0,0,0|1,0,1]=3 1911 B15R1.139 Cc1ccc(cc1)CNC(=O)NCCO 512a_100000174908_100000210304 [0,1,0,0,0,0|1,0,1]=3 1912 B15R1.139 Cc1ccc(cc1)NNC(=O)NCCF 273464a_100000724931_100000683527 [0,1,0,0,0,0|3,0,0]=4 1913 B15R1.139 Cc1ccc(cc1)NNC(=O)NCCO 273464a_100000210304_100000683527 [0,1,0,0,0,0|2,0,0]=3 1914 B15R1.139 Cc1ccc(cc1)OCC(=O)CCCO 1458a_100000182360_100011215043 [0,1,0,0,0,0|2,0,1]=4 1915 B15R1.139 Cc1ccc(cc1)OCC(=O)NCCF 11a_100000724931_100000182360 [0,1,0,0,0,0|2,0,1]=4 1916 B15R1.139 Cc1ccc(cc1)OCC(=O)NCCF 1626a_100000724931_100000182360 [0,1,0,0,0,0|2,0,1]=4 1917 B15R1.139 Cc1ccc(cc1)OCC(=O)NCCF 240690a_100000724931_100000182360 [0,1,0,0,0,0|2,0,1]=4 1918 B15R1.139 Cc1ccc(cc1)OCC(=O)NCCF 527a_100000724931_100000182360 [0,1,0,0,0,0|2,0,1]=4 1919 B15R1.139 Cc1ccc(cc1)OCC(=O)NCCO 240690a_100000210304_100000182360 [0,1,0,0,0,0|1,0,1]=3 1920 B15R1.139 Cc1ccc(cc1)OCC(=O)NCCO 527a_100000210304_100000182360 [0,1,0,0,0,0|1,0,1]=3 1921 B15R1.139 Cc1ccc(cc1)SCC(=O)CCCO 1458a_100000179497_100011215043 [0,1,0,0,0,0|2,0,1]=4 1922 B15R1.139 Cc1ccc(cc1)SCC(=O)NCCF 11a_100000724931_100000179497 [0,1,0,0,0,0|2,0,1]=4 1923 B15R1.139 Cc1ccc(cc1)SCC(=O)NCCF 1626a_100000724931_100000179497 [0,1,0,0,0,0|2,0,1]=4 1924 B15R1.139 Cc1ccc(cc1)SCC(=O)NCCF 240690a_100000724931_100000179497 [0,1,0,0,0,0|2,0,1]=4 1925 B15R1.139 Cc1ccc(cc1)SCC(=O)NCCF 527a_100000724931_100000179497 [0,1,0,0,0,0|2,0,1]=4 1926 B15R1.139 Cc1ccc(cc1)SCC(=O)NCCO 240690a_100000210304_100000179497 [0,1,0,0,0,0|1,0,1]=3 1927 B15R1.139 Cc1ccc(cc1)SCC(=O)NCCO 527a_100000210304_100000179497 [0,1,0,0,0,0|1,0,1]=3 1928 B15R1.139 Cc1ccc(cn1)CNC(=O)NCCO 2708a_100000740942_100000210304 [0,1,0,0,0,0|2,0,1]=4 1929 B15R1.139 Cc1ccc(cn1)CNC(=O)NCCO 273464a_100000210304_100000740942 [0,1,0,0,0,0|2,0,1]=4 1930 B15R1.139 Cc1ccc(cn1)CNC(=O)NCCO 273464a_100000740942_100000210304 [0,1,0,0,0,0|2,0,1]=4 1931 B15R1.139 Cc1ccc(cn1)CNC(=O)NCCO 512a_100000740942_100000210304 [0,1,0,0,0,0|2,0,1]=4 1932 B15R1.139 Cc1ccc(cn1)NNC(=O)NCCO 273464a_100000210304_100020639869 [0,1,0,0,0,0|3,0,0]=4 1933 B15R1.139 Cc1ccc(nc1)CNC(=O)NCCO 2708a_100015187455_100000210304 [0,1,0,0,0,0|2,0,1]=4 1934 B15R1.139 Cc1ccc(nc1)CNC(=O)NCCO 273464a_100000210304_100015187455 [0,1,0,0,0,0|2,0,1]=4 1935 B15R1.139 Cc1ccc(nc1)CNC(=O)NCCO 273464a_100015187455_100000210304 [0,1,0,0,0,0|2,0,1]=4 1936 B15R1.139 Cc1ccc(nc1)CNC(=O)NCCO 512a_100015187455_100000210304 [0,1,0,0,0,0|2,0,1]=4 1937 B15R1.139 Cc1ccc(nc1)NNC(=O)NCCO 273464a_100000210304_100000746693 [0,1,0,0,0,0|3,0,0]=4 1938 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011215226 [0,1,0,0,0,0|2,0,1]=4 1939 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011215226 [0,1,0,0,0,0|2,0,1]=4 1940 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011215226 [0,1,0,0,0,0|2,0,1]=4 1941 B15R1.139 N#CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011215226 [0,1,0,0,0,0|2,0,1]=4 1942 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000734998_100016267368 [0,1,0,0,0,0|1,0,1]=3 1943 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000734998_100000184863 [0,1,0,0,0,0|1,0,1]=3 1944 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)F 1626a_100000734998_100000182136 [0,1,0,0,0,0|1,0,1]=3 1945 B15R1.139 N#CCNC(=O)C=Cc1ccc(cc1)I 1626a_100000734998_100102526154 [0,1,0,0,0,0|1,0,1]=3 1946 B15R1.139 N#CCNC(=O)C=Cc1ccc(cn1)F 1626a_100000734998_100020630499 [0,1,0,0,0,0|2,0,1]=4 1947 B15R1.139 N#CCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000734998_100020588214 [0,1,0,0,0,0|2,0,1]=4 1948 B15R1.139 O=C(C#Cc1ccc(cc1)Br)CCCO 1458a_100012100275_100011215043 [0,1,0,0,0,0|1,0,2]=4 1949 B15R1.139 O=C(C#Cc1ccc(cc1)Cl)CCCO 1458a_100011892723_100011215043 [0,1,0,0,0,0|1,0,2]=4 1950 B15R1.139 O=C(C#Cc1ccc(cc1)Cl)NCCF 240690a_100000724931_100011892723 [0,1,0,0,0,0|1,0,2]=4 1951 B15R1.139 O=C(C#Cc1ccc(cc1)Cl)NCCO 240690a_100000210304_100011892723 [0,1,0,0,0,0|0,0,2]=3 1952 B15R1.139 O=C(C#Cc1ccc(cc1)F)CCCO 1458a_100000238512_100011215043 [0,1,0,0,0,0|1,0,2]=4 1953 B15R1.139 O=C(C#Cc1ccc(cc1)F)NCCF 240690a_100000724931_100000238512 [0,1,0,0,0,0|1,0,2]=4 1954 B15R1.139 O=C(C#Cc1ccc(cc1)F)NCCO 240690a_100000210304_100000238512 [0,1,0,0,0,0|0,0,2]=3 1955 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCBr 6a_100000186029_100000685027 [0,1,0,0,0,0|2,0,0]=3 1956 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCCl 6a_100000186029_100011215641 [0,1,0,0,0,0|2,0,0]=3 1957 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCF 1458a_100016267368_100011934791 [0,1,0,0,0,0|2,0,0]=3 1958 B15R1.139 O=C(C=Cc1ccc(cc1)Br)CCCO 1458a_100016267368_100011215043 [0,1,0,0,0,0|1,0,0]=2 1959 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF 11a_100000724931_100016267368 [0,1,0,0,0,0|1,0,0]=2 1960 B15R1.139 O=C(C=Cc1ccc(cc1)Br)NCCF 1626a_100000724931_100016267368 [0,1,0,0,0,0|1,0,0]=2 1961 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)CCCF 1458a_100000184863_100011934791 [0,1,0,0,0,0|2,0,0]=3 1962 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)CCCO 1458a_100000184863_100011215043 [0,1,0,0,0,0|1,0,0]=2 1963 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF 11a_100000724931_100000184863 [0,1,0,0,0,0|1,0,0]=2 1964 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF 1626a_100000724931_100000184863 [0,1,0,0,0,0|1,0,0]=2 1965 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCF 240690a_100000724931_100000184863 [0,1,0,0,0,0|1,0,0]=2 1966 B15R1.139 O=C(C=Cc1ccc(cc1)Cl)NCCO 240690a_100000210304_100000184863 [0,1,0,0,0,0|0,0,0]=1 1967 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCBr 6a_100000210084_100000685027 [0,1,0,0,0,0|2,0,0]=3 1968 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCCl 6a_100000210084_100011215641 [0,1,0,0,0,0|2,0,0]=3 1969 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCF 1458a_100000182136_100011934791 [0,1,0,0,0,0|2,0,0]=3 1970 B15R1.139 O=C(C=Cc1ccc(cc1)F)CCCO 1458a_100000182136_100011215043 [0,1,0,0,0,0|1,0,0]=2 1971 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF 11a_100000724931_100000182136 [0,1,0,0,0,0|1,0,0]=2 1972 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF 1626a_100000724931_100000182136 [0,1,0,0,0,0|1,0,0]=2 1973 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCF 240690a_100000724931_100000182136 [0,1,0,0,0,0|1,0,0]=2 1974 B15R1.139 O=C(C=Cc1ccc(cc1)F)NCCO 240690a_100000210304_100000182136 [0,1,0,0,0,0|0,0,0]=1 1975 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCBr 6a_100000188517_100000685027 [0,1,0,0,0,0|2,0,0]=3 1976 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCCl 6a_100000188517_100011215641 [0,1,0,0,0,0|2,0,0]=3 1977 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCF 1458a_100102526154_100011934791 [0,1,0,0,0,0|2,0,0]=3 1978 B15R1.139 O=C(C=Cc1ccc(cc1)I)CCCO 1458a_100102526154_100011215043 [0,1,0,0,0,0|1,0,0]=2 1979 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCF 11a_100000724931_100102526154 [0,1,0,0,0,0|1,0,0]=2 1980 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCF 1626a_100000724931_100102526154 [0,1,0,0,0,0|1,0,0]=2 1981 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCF 240690a_100000724931_100102526154 [0,1,0,0,0,0|1,0,0]=2 1982 B15R1.139 O=C(C=Cc1ccc(cc1)I)NCCO 240690a_100000210304_100102526154 [0,1,0,0,0,0|0,0,0]=1 1983 B15R1.139 O=C(C=Cc1ccc(cc1)O)NCCF 240690a_100000724931_100016269017 [0,1,0,0,0,0|1,0,0]=2 1984 B15R1.139 O=C(C=Cc1ccc(cc1)O)NCCO 240690a_100000210304_100016269017 [0,1,0,0,0,0|0,0,0]=1 1985 B15R1.139 O=C(C=Cc1ccc(cn1)Br)CCCBr 6a_100000754260_100000685027 [0,1,0,0,0,0|3,0,0]=4 1986 B15R1.139 O=C(C=Cc1ccc(cn1)Br)CCCCl 6a_100000754260_100011215641 [0,1,0,0,0,0|3,0,0]=4 1987 B15R1.139 O=C(C=Cc1ccc(cn1)F)CCCBr 6a_100011934744_100000685027 [0,1,0,0,0,0|3,0,0]=4 1988 B15R1.139 O=C(C=Cc1ccc(cn1)F)CCCCl 6a_100011934744_100011215641 [0,1,0,0,0,0|3,0,0]=4 1989 B15R1.139 O=C(C=Cc1ccc(cn1)F)CCCF 1458a_100020630499_100011934791 [0,1,0,0,0,0|3,0,0]=4 1990 B15R1.139 O=C(C=Cc1ccc(cn1)F)CCCO 1458a_100020630499_100011215043 [0,1,0,0,0,0|2,0,0]=3 1991 B15R1.139 O=C(C=Cc1ccc(cn1)F)NCCF 11a_100000724931_100020630499 [0,1,0,0,0,0|2,0,0]=3 1992 B15R1.139 O=C(C=Cc1ccc(cn1)F)NCCF 1626a_100000724931_100020630499 [0,1,0,0,0,0|2,0,0]=3 1993 B15R1.139 O=C(C=Cc1ccc(cn1)F)NCCF 240690a_100000724931_100020630499 [0,1,0,0,0,0|2,0,0]=3 1994 B15R1.139 O=C(C=Cc1ccc(cn1)F)NCCO 240690a_100000210304_100020630499 [0,1,0,0,0,0|1,0,0]=2 1995 B15R1.139 O=C(C=Cc1ccc(nc1)Br)CCCF 1458a_100020588214_100011934791 [0,1,0,0,0,0|3,0,0]=4 1996 B15R1.139 O=C(C=Cc1ccc(nc1)Br)CCCO 1458a_100020588214_100011215043 [0,1,0,0,0,0|2,0,0]=3 1997 B15R1.139 O=C(C=Cc1ccc(nc1)Br)NCCF 11a_100000724931_100020588214 [0,1,0,0,0,0|2,0,0]=3 1998 B15R1.139 O=C(C=Cc1ccc(nc1)Br)NCCF 1626a_100000724931_100020588214 [0,1,0,0,0,0|2,0,0]=3 1999 B15R1.139 O=C(C=Cc1ccc(nc1)Br)NCCF 240690a_100000724931_100020588214 [0,1,0,0,0,0|2,0,0]=3 2000 B15R1.139 O=C(C=Cc1ccc(nc1)Br)NCCO 240690a_100000210304_100020588214 [0,1,0,0,0,0|1,0,0]=2 2001 B15R1.139 O=C(CCCO)CCc1ccc(cc1)Br 1458a_100000217147_100011215043 [0,1,0,0,0,0|1,0,2]=4 2002 B15R1.139 O=C(CCCO)CCc1ccc(cc1)Cl 1458a_100000235379_100011215043 [0,1,0,0,0,0|1,0,2]=4 2003 B15R1.139 O=C(CCCO)CCc1ccc(cc1)F 1458a_100000198493_100011215043 [0,1,0,0,0,0|1,0,2]=4 2004 B15R1.139 O=C(CCCO)CCc1ccc(cc1)I 1458a_100011217499_100011215043 [0,1,0,0,0,0|1,0,2]=4 2005 B15R1.139 O=C(CCCO)CCc1ccc(cc1)O 1458a_100000742835_100011215043 [0,1,0,0,0,0|1,0,2]=4 2006 B15R1.139 O=C(CCCO)COc1ccc(cc1)Br 1458a_100000182358_100011215043 [0,1,0,0,0,0|2,0,1]=4 2007 B15R1.139 O=C(CCCO)COc1ccc(cc1)Cl 1458a_100016990877_100011215043 [0,1,0,0,0,0|2,0,1]=4 2008 B15R1.139 O=C(CCCO)COc1ccc(cc1)F 1458a_100000184765_100011215043 [0,1,0,0,0,0|2,0,1]=4 2009 B15R1.139 O=C(CCCO)COc1ccc(cc1)I 1458a_100000184369_100011215043 [0,1,0,0,0,0|2,0,1]=4 2010 B15R1.139 O=C(CCCO)COc1ccc(cc1)O 1458a_100000031633_100011215043 [0,1,0,0,0,0|2,0,1]=4 2011 B15R1.139 O=C(CCCO)CSc1ccc(cc1)Br 1458a_100000179496_100011215043 [0,1,0,0,0,0|2,0,1]=4 2012 B15R1.139 O=C(CCCO)CSc1ccc(cc1)Cl 1458a_100000178402_100011215043 [0,1,0,0,0,0|2,0,1]=4 2013 B15R1.139 O=C(CCCO)CSc1ccc(cc1)F 1458a_100000691584_100011215043 [0,1,0,0,0,0|2,0,1]=4 2014 B15R1.139 O=C(CCc1ccc(cc1)Br)NCCF 11a_100000724931_100000217147 [0,1,0,0,0,0|1,0,2]=4 2015 B15R1.139 O=C(CCc1ccc(cc1)Br)NCCF 1626a_100000724931_100000217147 [0,1,0,0,0,0|1,0,2]=4 2016 B15R1.139 O=C(CCc1ccc(cc1)Br)NCCF 240690a_100000724931_100000217147 [0,1,0,0,0,0|1,0,2]=4 2017 B15R1.139 O=C(CCc1ccc(cc1)Br)NCCF 527a_100000724931_100000217147 [0,1,0,0,0,0|1,0,2]=4 2018 B15R1.139 O=C(CCc1ccc(cc1)Br)NCCO 240690a_100000210304_100000217147 [0,1,0,0,0,0|0,0,2]=3 2019 B15R1.139 O=C(CCc1ccc(cc1)Br)NCCO 527a_100000210304_100000217147 [0,1,0,0,0,0|0,0,2]=3 2020 B15R1.139 O=C(CCc1ccc(cc1)Cl)NCCF 11a_100000724931_100000235379 [0,1,0,0,0,0|1,0,2]=4 2021 B15R1.139 O=C(CCc1ccc(cc1)Cl)NCCF 1626a_100000724931_100000235379 [0,1,0,0,0,0|1,0,2]=4 2022 B15R1.139 O=C(CCc1ccc(cc1)Cl)NCCF 240690a_100000724931_100000235379 [0,1,0,0,0,0|1,0,2]=4 2023 B15R1.139 O=C(CCc1ccc(cc1)Cl)NCCF 527a_100000724931_100000235379 [0,1,0,0,0,0|1,0,2]=4 2024 B15R1.139 O=C(CCc1ccc(cc1)Cl)NCCO 240690a_100000210304_100000235379 [0,1,0,0,0,0|0,0,2]=3 2025 B15R1.139 O=C(CCc1ccc(cc1)Cl)NCCO 527a_100000210304_100000235379 [0,1,0,0,0,0|0,0,2]=3 2026 B15R1.139 O=C(CCc1ccc(cc1)F)NCCF 11a_100000724931_100000198493 [0,1,0,0,0,0|1,0,2]=4 2027 B15R1.139 O=C(CCc1ccc(cc1)F)NCCF 1626a_100000724931_100000198493 [0,1,0,0,0,0|1,0,2]=4 2028 B15R1.139 O=C(CCc1ccc(cc1)F)NCCF 240690a_100000724931_100000198493 [0,1,0,0,0,0|1,0,2]=4 2029 B15R1.139 O=C(CCc1ccc(cc1)F)NCCF 527a_100000724931_100000198493 [0,1,0,0,0,0|1,0,2]=4 2030 B15R1.139 O=C(CCc1ccc(cc1)F)NCCO 240690a_100000210304_100000198493 [0,1,0,0,0,0|0,0,2]=3 2031 B15R1.139 O=C(CCc1ccc(cc1)F)NCCO 527a_100000210304_100000198493 [0,1,0,0,0,0|0,0,2]=3 2032 B15R1.139 O=C(CCc1ccc(cc1)I)NCCF 11a_100000724931_100011217499 [0,1,0,0,0,0|1,0,2]=4 2033 B15R1.139 O=C(CCc1ccc(cc1)I)NCCF 1626a_100000724931_100011217499 [0,1,0,0,0,0|1,0,2]=4 2034 B15R1.139 O=C(CCc1ccc(cc1)I)NCCF 240690a_100000724931_100011217499 [0,1,0,0,0,0|1,0,2]=4 2035 B15R1.139 O=C(CCc1ccc(cc1)I)NCCF 527a_100000724931_100011217499 [0,1,0,0,0,0|1,0,2]=4 2036 B15R1.139 O=C(CCc1ccc(cc1)I)NCCO 240690a_100000210304_100011217499 [0,1,0,0,0,0|0,0,2]=3 2037 B15R1.139 O=C(CCc1ccc(cc1)I)NCCO 527a_100000210304_100011217499 [0,1,0,0,0,0|0,0,2]=3 2038 B15R1.139 O=C(CCc1ccc(cc1)O)NCCF 240690a_100000724931_100000742835 [0,1,0,0,0,0|1,0,2]=4 2039 B15R1.139 O=C(CCc1ccc(cc1)O)NCCO 240690a_100000210304_100000742835 [0,1,0,0,0,0|0,0,2]=3 2040 B15R1.139 O=C(COc1ccc(cc1)Br)NCCF 11a_100000724931_100000182358 [0,1,0,0,0,0|2,0,1]=4 2041 B15R1.139 O=C(COc1ccc(cc1)Br)NCCF 1626a_100000724931_100000182358 [0,1,0,0,0,0|2,0,1]=4 2042 B15R1.139 O=C(COc1ccc(cc1)Br)NCCF 240690a_100000724931_100000182358 [0,1,0,0,0,0|2,0,1]=4 2043 B15R1.139 O=C(COc1ccc(cc1)Br)NCCF 527a_100000724931_100000182358 [0,1,0,0,0,0|2,0,1]=4 2044 B15R1.139 O=C(COc1ccc(cc1)Br)NCCO 240690a_100000210304_100000182358 [0,1,0,0,0,0|1,0,1]=3 2045 B15R1.139 O=C(COc1ccc(cc1)Br)NCCO 527a_100000210304_100000182358 [0,1,0,0,0,0|1,0,1]=3 2046 B15R1.139 O=C(COc1ccc(cc1)Cl)NCCF 11a_100000724931_100016990877 [0,1,0,0,0,0|2,0,1]=4 2047 B15R1.139 O=C(COc1ccc(cc1)Cl)NCCF 1626a_100000724931_100016990877 [0,1,0,0,0,0|2,0,1]=4 2048 B15R1.139 O=C(COc1ccc(cc1)Cl)NCCF 240690a_100000724931_100016990877 [0,1,0,0,0,0|2,0,1]=4 2049 B15R1.139 O=C(COc1ccc(cc1)Cl)NCCF 527a_100000724931_100016990877 [0,1,0,0,0,0|2,0,1]=4 2050 B15R1.139 O=C(COc1ccc(cc1)Cl)NCCO 240690a_100000210304_100016990877 [0,1,0,0,0,0|1,0,1]=3 2051 B15R1.139 O=C(COc1ccc(cc1)Cl)NCCO 527a_100000210304_100016990877 [0,1,0,0,0,0|1,0,1]=3 2052 B15R1.139 O=C(COc1ccc(cc1)F)NCCF 11a_100000724931_100000184765 [0,1,0,0,0,0|2,0,1]=4 2053 B15R1.139 O=C(COc1ccc(cc1)F)NCCF 1626a_100000724931_100000184765 [0,1,0,0,0,0|2,0,1]=4 2054 B15R1.139 O=C(COc1ccc(cc1)F)NCCF 240690a_100000724931_100000184765 [0,1,0,0,0,0|2,0,1]=4 2055 B15R1.139 O=C(COc1ccc(cc1)F)NCCF 527a_100000724931_100000184765 [0,1,0,0,0,0|2,0,1]=4 2056 B15R1.139 O=C(COc1ccc(cc1)F)NCCO 240690a_100000210304_100000184765 [0,1,0,0,0,0|1,0,1]=3 2057 B15R1.139 O=C(COc1ccc(cc1)F)NCCO 527a_100000210304_100000184765 [0,1,0,0,0,0|1,0,1]=3 2058 B15R1.139 O=C(COc1ccc(cc1)I)NCCF 11a_100000724931_100000184369 [0,1,0,0,0,0|2,0,1]=4 2059 B15R1.139 O=C(COc1ccc(cc1)I)NCCF 1626a_100000724931_100000184369 [0,1,0,0,0,0|2,0,1]=4 2060 B15R1.139 O=C(COc1ccc(cc1)I)NCCF 240690a_100000724931_100000184369 [0,1,0,0,0,0|2,0,1]=4 2061 B15R1.139 O=C(COc1ccc(cc1)I)NCCF 527a_100000724931_100000184369 [0,1,0,0,0,0|2,0,1]=4 2062 B15R1.139 O=C(COc1ccc(cc1)I)NCCO 240690a_100000210304_100000184369 [0,1,0,0,0,0|1,0,1]=3 2063 B15R1.139 O=C(COc1ccc(cc1)I)NCCO 527a_100000210304_100000184369 [0,1,0,0,0,0|1,0,1]=3 2064 B15R1.139 O=C(COc1ccc(cc1)O)NCCF 240690a_100000724931_100000031633 [0,1,0,0,0,0|2,0,1]=4 2065 B15R1.139 O=C(COc1ccc(cc1)O)NCCF 527a_100000724931_100000031633 [0,1,0,0,0,0|2,0,1]=4 2066 B15R1.139 O=C(COc1ccc(cc1)O)NCCO 240690a_100000210304_100000031633 [0,1,0,0,0,0|1,0,1]=3 2067 B15R1.139 O=C(COc1ccc(cc1)O)NCCO 271570a_203496583355_200000158804 [0,1,0,0,0,0|1,0,1]=3 2068 B15R1.139 O=C(COc1ccc(cc1)O)NCCO 527a_100000210304_100000031633 [0,1,0,0,0,0|1,0,1]=3 2069 B15R1.139 O=C(CSc1ccc(cc1)Br)NCCF 11a_100000724931_100000179496 [0,1,0,0,0,0|2,0,1]=4 2070 B15R1.139 O=C(CSc1ccc(cc1)Br)NCCF 1626a_100000724931_100000179496 [0,1,0,0,0,0|2,0,1]=4 2071 B15R1.139 O=C(CSc1ccc(cc1)Br)NCCF 240690a_100000724931_100000179496 [0,1,0,0,0,0|2,0,1]=4 2072 B15R1.139 O=C(CSc1ccc(cc1)Br)NCCF 527a_100000724931_100000179496 [0,1,0,0,0,0|2,0,1]=4 2073 B15R1.139 O=C(CSc1ccc(cc1)Br)NCCO 240690a_100000210304_100000179496 [0,1,0,0,0,0|1,0,1]=3 2074 B15R1.139 O=C(CSc1ccc(cc1)Br)NCCO 527a_100000210304_100000179496 [0,1,0,0,0,0|1,0,1]=3 2075 B15R1.139 O=C(CSc1ccc(cc1)Cl)NCCF 11a_100000724931_100000178402 [0,1,0,0,0,0|2,0,1]=4 2076 B15R1.139 O=C(CSc1ccc(cc1)Cl)NCCF 1626a_100000724931_100000178402 [0,1,0,0,0,0|2,0,1]=4 2077 B15R1.139 O=C(CSc1ccc(cc1)Cl)NCCF 240690a_100000724931_100000178402 [0,1,0,0,0,0|2,0,1]=4 2078 B15R1.139 O=C(CSc1ccc(cc1)Cl)NCCF 527a_100000724931_100000178402 [0,1,0,0,0,0|2,0,1]=4 2079 B15R1.139 O=C(CSc1ccc(cc1)Cl)NCCO 240690a_100000210304_100000178402 [0,1,0,0,0,0|1,0,1]=3 2080 B15R1.139 O=C(CSc1ccc(cc1)Cl)NCCO 527a_100000210304_100000178402 [0,1,0,0,0,0|1,0,1]=3 2081 B15R1.139 O=C(CSc1ccc(cc1)F)NCCF 11a_100000724931_100000691584 [0,1,0,0,0,0|2,0,1]=4 2082 B15R1.139 O=C(CSc1ccc(cc1)F)NCCF 1626a_100000724931_100000691584 [0,1,0,0,0,0|2,0,1]=4 2083 B15R1.139 O=C(CSc1ccc(cc1)F)NCCF 240690a_100000724931_100000691584 [0,1,0,0,0,0|2,0,1]=4 2084 B15R1.139 O=C(CSc1ccc(cc1)F)NCCF 527a_100000724931_100000691584 [0,1,0,0,0,0|2,0,1]=4 2085 B15R1.139 O=C(CSc1ccc(cc1)F)NCCO 240690a_100000210304_100000691584 [0,1,0,0,0,0|1,0,1]=3 2086 B15R1.139 O=C(CSc1ccc(cc1)F)NCCO 527a_100000210304_100000691584 [0,1,0,0,0,0|1,0,1]=3 2087 B15R1.139 O=C(NCCF)NCc1ccc(cc1)Br 2708a_100000174875_100000724931 [0,1,0,0,0,0|2,0,1]=4 2088 B15R1.139 O=C(NCCF)NCc1ccc(cc1)Br 273464a_100000174875_100000724931 [0,1,0,0,0,0|2,0,1]=4 2089 B15R1.139 O=C(NCCF)NCc1ccc(cc1)Br 273464a_100000724931_100000174875 [0,1,0,0,0,0|2,0,1]=4 2090 B15R1.139 O=C(NCCF)NCc1ccc(cc1)Br 512a_100000174875_100000724931 [0,1,0,0,0,0|2,0,1]=4 2091 B15R1.139 O=C(NCCF)NCc1ccc(cc1)Cl 2708a_100000174871_100000724931 [0,1,0,0,0,0|2,0,1]=4 2092 B15R1.139 O=C(NCCF)NCc1ccc(cc1)Cl 273464a_100000174871_100000724931 [0,1,0,0,0,0|2,0,1]=4 2093 B15R1.139 O=C(NCCF)NCc1ccc(cc1)Cl 273464a_100000724931_100000174871 [0,1,0,0,0,0|2,0,1]=4 2094 B15R1.139 O=C(NCCF)NCc1ccc(cc1)F 2708a_100000174882_100000724931 [0,1,0,0,0,0|2,0,1]=4 2095 B15R1.139 O=C(NCCF)NCc1ccc(cc1)F 273464a_100000174882_100000724931 [0,1,0,0,0,0|2,0,1]=4 2096 B15R1.139 O=C(NCCF)NCc1ccc(cc1)F 273464a_100000724931_100000174882 [0,1,0,0,0,0|2,0,1]=4 2097 B15R1.139 O=C(NCCF)NCc1ccc(cc1)F 512a_100000174882_100000724931 [0,1,0,0,0,0|2,0,1]=4 2098 B15R1.139 O=C(NCCF)NCc1ccc(cc1)I 2708a_100016989417_100000724931 [0,1,0,0,0,0|2,0,1]=4 2099 B15R1.139 O=C(NCCF)NCc1ccc(cc1)I 273464a_100000724931_100016989417 [0,1,0,0,0,0|2,0,1]=4 2100 B15R1.139 O=C(NCCF)NCc1ccc(cc1)I 273464a_100016989417_100000724931 [0,1,0,0,0,0|2,0,1]=4 2101 B15R1.139 O=C(NCCF)NCc1ccc(cc1)I 512a_100016989417_100000724931 [0,1,0,0,0,0|2,0,1]=4 2102 B15R1.139 O=C(NCCF)NCc1ccc(cc1)O 2708a_100000185549_100000724931 [0,1,0,0,0,0|2,0,1]=4 2103 B15R1.139 O=C(NCCF)NCc1ccc(cc1)O 273464a_100000185549_100000724931 [0,1,0,0,0,0|2,0,1]=4 2104 B15R1.139 O=C(NCCF)NCc1ccc(cc1)O 273464a_100000724931_100000185549 [0,1,0,0,0,0|2,0,1]=4 2105 B15R1.139 O=C(NCCF)NNc1ccc(cc1)Br 273464a_100000724931_100000735608 [0,1,0,0,0,0|3,0,0]=4 2106 B15R1.139 O=C(NCCF)NNc1ccc(cc1)Cl 273464a_100000724931_100000683521 [0,1,0,0,0,0|3,0,0]=4 2107 B15R1.139 O=C(NCCF)NNc1ccc(cc1)F 273464a_100000724931_100000728448 [0,1,0,0,0,0|3,0,0]=4 2108 B15R1.139 O=C(NCCF)NNc1ccc(cc1)I 273464a_100000724931_100016988836 [0,1,0,0,0,0|3,0,0]=4 2109 B15R1.139 O=C(NCCO)NCc1ccc(cc1)Br 2708a_100000174875_100000210304 [0,1,0,0,0,0|1,0,1]=3 2110 B15R1.139 O=C(NCCO)NCc1ccc(cc1)Br 273464a_100000174875_100000210304 [0,1,0,0,0,0|1,0,1]=3 2111 B15R1.139 O=C(NCCO)NCc1ccc(cc1)Br 273464a_100000210304_100000174875 [0,1,0,0,0,0|1,0,1]=3 2112 B15R1.139 O=C(NCCO)NCc1ccc(cc1)Br 512a_100000174875_100000210304 [0,1,0,0,0,0|1,0,1]=3 2113 B15R1.139 O=C(NCCO)NCc1ccc(cc1)Cl 2708a_100000174871_100000210304 [0,1,0,0,0,0|1,0,1]=3 2114 B15R1.139 O=C(NCCO)NCc1ccc(cc1)Cl 273464a_100000174871_100000210304 [0,1,0,0,0,0|1,0,1]=3 2115 B15R1.139 O=C(NCCO)NCc1ccc(cc1)Cl 273464a_100000210304_100000174871 [0,1,0,0,0,0|1,0,1]=3 2116 B15R1.139 O=C(NCCO)NCc1ccc(cc1)F 2708a_100000174882_100000210304 [0,1,0,0,0,0|1,0,1]=3 2117 B15R1.139 O=C(NCCO)NCc1ccc(cc1)F 273464a_100000174882_100000210304 [0,1,0,0,0,0|1,0,1]=3 2118 B15R1.139 O=C(NCCO)NCc1ccc(cc1)F 273464a_100000210304_100000174882 [0,1,0,0,0,0|1,0,1]=3 2119 B15R1.139 O=C(NCCO)NCc1ccc(cc1)F 512a_100000174882_100000210304 [0,1,0,0,0,0|1,0,1]=3 2120 B15R1.139 O=C(NCCO)NCc1ccc(cc1)I 2708a_100016989417_100000210304 [0,1,0,0,0,0|1,0,1]=3 2121 B15R1.139 O=C(NCCO)NCc1ccc(cc1)I 273464a_100000210304_100016989417 [0,1,0,0,0,0|1,0,1]=3 2122 B15R1.139 O=C(NCCO)NCc1ccc(cc1)I 273464a_100016989417_100000210304 [0,1,0,0,0,0|1,0,1]=3 2123 B15R1.139 O=C(NCCO)NCc1ccc(cc1)I 512a_100016989417_100000210304 [0,1,0,0,0,0|1,0,1]=3 2124 B15R1.139 O=C(NCCO)NCc1ccc(cc1)O 2708a_100000185549_100000210304 [0,1,0,0,0,0|1,0,1]=3 2125 B15R1.139 O=C(NCCO)NCc1ccc(cc1)O 273464a_100000185549_100000210304 [0,1,0,0,0,0|1,0,1]=3 2126 B15R1.139 O=C(NCCO)NCc1ccc(cc1)O 273464a_100000210304_100000185549 [0,1,0,0,0,0|1,0,1]=3 2127 B15R1.139 O=C(NCCO)NCc1ccc(cn1)Br 2708a_100015188789_100000210304 [0,1,0,0,0,0|2,0,1]=4 2128 B15R1.139 O=C(NCCO)NCc1ccc(cn1)Br 273464a_100000210304_100015188789 [0,1,0,0,0,0|2,0,1]=4 2129 B15R1.139 O=C(NCCO)NCc1ccc(cn1)Br 273464a_100015188789_100000210304 [0,1,0,0,0,0|2,0,1]=4 2130 B15R1.139 O=C(NCCO)NCc1ccc(cn1)Br 512a_100015188789_100000210304 [0,1,0,0,0,0|2,0,1]=4 2131 B15R1.139 O=C(NCCO)NCc1ccc(cn1)Cl 2708a_100000697193_100000210304 [0,1,0,0,0,0|2,0,1]=4 2132 B15R1.139 O=C(NCCO)NCc1ccc(cn1)Cl 273464a_100000210304_100000697193 [0,1,0,0,0,0|2,0,1]=4 2133 B15R1.139 O=C(NCCO)NCc1ccc(cn1)Cl 273464a_100000697193_100000210304 [0,1,0,0,0,0|2,0,1]=4 2134 B15R1.139 O=C(NCCO)NCc1ccc(cn1)Cl 512a_100000697193_100000210304 [0,1,0,0,0,0|2,0,1]=4 2135 B15R1.139 O=C(NCCO)NCc1ccc(cn1)F 2708a_100020620131_100000210304 [0,1,0,0,0,0|2,0,1]=4 2136 B15R1.139 O=C(NCCO)NCc1ccc(cn1)F 273464a_100000210304_100020620131 [0,1,0,0,0,0|2,0,1]=4 2137 B15R1.139 O=C(NCCO)NCc1ccc(cn1)F 273464a_100020620131_100000210304 [0,1,0,0,0,0|2,0,1]=4 2138 B15R1.139 O=C(NCCO)NCc1ccc(cn1)F 512a_100020620131_100000210304 [0,1,0,0,0,0|2,0,1]=4 2139 B15R1.139 O=C(NCCO)NCc1ccc(cn1)O 2708a_100020605196_100000210304 [0,1,0,0,0,0|2,0,1]=4 2140 B15R1.139 O=C(NCCO)NCc1ccc(cn1)O 273464a_100000210304_100020605196 [0,1,0,0,0,0|2,0,1]=4 2141 B15R1.139 O=C(NCCO)NCc1ccc(cn1)O 273464a_100020605196_100000210304 [0,1,0,0,0,0|2,0,1]=4 2142 B15R1.139 O=C(NCCO)NCc1ccc(nc1)Br 2708a_100009817727_100000210304 [0,1,0,0,0,0|2,0,1]=4 2143 B15R1.139 O=C(NCCO)NCc1ccc(nc1)Br 273464a_100000210304_100009817727 [0,1,0,0,0,0|2,0,1]=4 2144 B15R1.139 O=C(NCCO)NCc1ccc(nc1)Br 273464a_100009817727_100000210304 [0,1,0,0,0,0|2,0,1]=4 2145 B15R1.139 O=C(NCCO)NCc1ccc(nc1)Br 512a_100009817727_100000210304 [0,1,0,0,0,0|2,0,1]=4 2146 B15R1.139 O=C(NCCO)NCc1ccc(nc1)Cl 2708a_100000735879_100000210304 [0,1,0,0,0,0|2,0,1]=4 2147 B15R1.139 O=C(NCCO)NCc1ccc(nc1)Cl 273464a_100000210304_100000735879 [0,1,0,0,0,0|2,0,1]=4 2148 B15R1.139 O=C(NCCO)NCc1ccc(nc1)Cl 273464a_100000735879_100000210304 [0,1,0,0,0,0|2,0,1]=4 2149 B15R1.139 O=C(NCCO)NCc1ccc(nc1)Cl 512a_100000735879_100000210304 [0,1,0,0,0,0|2,0,1]=4 2150 B15R1.139 O=C(NCCO)NCc1ccc(nc1)F 2708a_100000101913_100000210304 [0,1,0,0,0,0|2,0,1]=4 2151 B15R1.139 O=C(NCCO)NCc1ccc(nc1)F 273464a_100000101913_100000210304 [0,1,0,0,0,0|2,0,1]=4 2152 B15R1.139 O=C(NCCO)NCc1ccc(nc1)F 273464a_100000210304_100000101913 [0,1,0,0,0,0|2,0,1]=4 2153 B15R1.139 O=C(NCCO)NCc1ccc(nc1)F 512a_100000101913_100000210304 [0,1,0,0,0,0|2,0,1]=4 2154 B15R1.139 O=C(NCCO)NCc1ccc(nc1)O 2708a_100000757128_100000210304 [0,1,0,0,0,0|2,0,1]=4 2155 B15R1.139 O=C(NCCO)NCc1ccc(nc1)O 273464a_100000210304_100000757128 [0,1,0,0,0,0|2,0,1]=4 2156 B15R1.139 O=C(NCCO)NCc1ccc(nc1)O 273464a_100000757128_100000210304 [0,1,0,0,0,0|2,0,1]=4 2157 B15R1.139 O=C(NCCO)NNc1ccc(cc1)Br 273464a_100000210304_100000735608 [0,1,0,0,0,0|2,0,0]=3 2158 B15R1.139 O=C(NCCO)NNc1ccc(cc1)Cl 273464a_100000210304_100000683521 [0,1,0,0,0,0|2,0,0]=3 2159 B15R1.139 O=C(NCCO)NNc1ccc(cc1)F 273464a_100000210304_100000728448 [0,1,0,0,0,0|2,0,0]=3 2160 B15R1.139 O=C(NCCO)NNc1ccc(cc1)I 273464a_100000210304_100016988836 [0,1,0,0,0,0|2,0,0]=3 2161 B15R1.139 O=C(NCCO)NNc1ccc(cn1)Br 273464a_100000210304_100000750576 [0,1,0,0,0,0|3,0,0]=4 2162 B15R1.139 O=C(NCCO)NNc1ccc(cn1)Cl 273464a_100000210304_100011206499 [0,1,0,0,0,0|3,0,0]=4 2163 B15R1.139 O=C(NCCO)NNc1ccc(cn1)F 273464a_100000210304_100000753838 [0,1,0,0,0,0|3,0,0]=4 2164 B15R1.139 O=C(NCCO)NNc1ccc(cn1)I 273464a_100000210304_100010221006 [0,1,0,0,0,0|3,0,0]=4 2165 B15R1.139 O=C(NCCO)NNc1ccc(nc1)Br 273464a_100000210304_100000755011 [0,1,0,0,0,0|3,0,0]=4 2166 B15R1.139 O=C(NCCO)NNc1ccc(nc1)Cl 273464a_100000210304_100000119030 [0,1,0,0,0,0|3,0,0]=4 2167 B15R1.139 O=C(NCCO)NNc1ccc(nc1)F 273464a_100000210304_100000120849 [0,1,0,0,0,0|3,0,0]=4 2168 B15R1.551 C#CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000753159 [0,1,0,0,0,0|2,0,1]=4 2169 B15R1.551 C#CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000753159 [0,1,0,0,0,0|2,0,1]=4 2170 B15R1.551 C#CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000753159 [0,1,0,0,0,0|2,0,1]=4 2171 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/C 11a_100000212058_100016990649 [0,1,0,0,0,0|1,0,1]=3 2172 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000212058_100016990649 [0,1,0,0,0,0|1,0,1]=3 2173 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/C 527a_100000212058_100016990649 [0,1,0,0,0,0|1,0,1]=3 2174 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000212058_200020598536 [0,1,0,0,0,0|1,0,1]=3 2175 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000212058_200020598536 [0,1,0,0,0,0|1,0,1]=3 2176 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000212058_200020598536 [0,1,0,0,0,0|1,0,1]=3 2177 B15R1.551 C#CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000212058_200020598536 [0,1,0,0,0,0|1,0,1]=3 2178 B15R1.551 C#CCNC(=O)/C(=C/c1ccccn1)/C 11a_100000212058_100025712827 [0,1,0,0,0,0|2,0,1]=4 2179 B15R1.551 C#CCNC(=O)/C(=C/c1ccccn1)/C 1626a_100000212058_100025712827 [0,1,0,0,0,0|2,0,1]=4 2180 B15R1.551 C#CCNC(=O)/C(=C/c1ccccn1)/C 527a_100000212058_100025712827 [0,1,0,0,0,0|2,0,1]=4 2181 B15R1.551 C#CCNC(=O)/C(=C\c1ccccc1)/F 11a_100000212058_100020889036 [0,1,0,0,0,0|1,0,1]=3 2182 B15R1.551 C#CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000212058_100020889036 [0,1,0,0,0,0|1,0,1]=3 2183 B15R1.551 C#CCNC(=O)C(=C)Cc1ccccc1 11a_100000212058_100000066491 [0,1,0,0,0,0|1,0,2]=4 2184 B15R1.551 C#CCNC(=O)C(=C)Cc1ccccc1 1626a_100000212058_100000066491 [0,1,0,0,0,0|1,0,2]=4 2185 B15R1.551 C#CCNC(=O)C(=Cc1cccnc1)F 11a_100000212058_100000731744 [0,1,0,0,0,0|2,0,1]=4 2186 B15R1.551 C#CCNC(=O)C(=Cc1cccnc1)F 240690a_100000212058_100000731744 [0,1,0,0,0,0|2,0,1]=4 2187 B15R1.551 C#CCNC(=O)C(=Cc1cccnc1)F 527a_100000212058_100000731744 [0,1,0,0,0,0|2,0,1]=4 2188 B15R1.551 C#CCNC(=O)C(=O)Nc1ccccc1 240690a_100000212058_100000738435 [0,1,0,0,0,0|2,0,1]=4 2189 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCC#N 1458a_100016990649_100011215226 [0,1,0,0,0,0|2,0,1]=4 2190 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCCF 1458a_100016990649_100011934791 [0,1,0,0,0,0|2,0,0]=3 2191 B15R1.551 C/C(=C\c1ccccc1)/C(=O)CCCO 1458a_100016990649_100011215043 [0,1,0,0,0,0|1,0,0]=2 2192 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCC#N 1626a_100000734998_100016990649 [0,1,0,0,0,0|1,0,1]=3 2193 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCC#N 527a_100000734998_100016990649 [0,1,0,0,0,0|1,0,1]=3 2194 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCF 11a_100000724931_100016990649 [0,1,0,0,0,0|1,0,0]=2 2195 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCF 1626a_100000724931_100016990649 [0,1,0,0,0,0|1,0,0]=2 2196 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCF 527a_100000724931_100016990649 [0,1,0,0,0,0|1,0,0]=2 2197 B15R1.551 C/C(=C\c1ccccc1)/C(=O)NCCO 527a_100000210304_100016990649 [0,1,0,0,0,0|0,0,0]=1 2198 B15R1.551 C/C(=C\c1ccccn1)/C(=O)CCCF 1458a_100025712827_100011934791 [0,1,0,0,0,0|3,0,0]=4 2199 B15R1.551 C/C(=C\c1ccccn1)/C(=O)CCCO 1458a_100025712827_100011215043 [0,1,0,0,0,0|2,0,0]=3 2200 B15R1.551 C/C(=C\c1ccccn1)/C(=O)NCC#N 1626a_100000734998_100025712827 [0,1,0,0,0,0|2,0,1]=4 2201 B15R1.551 C/C(=C\c1ccccn1)/C(=O)NCC#N 527a_100000734998_100025712827 [0,1,0,0,0,0|2,0,1]=4 2202 B15R1.551 C/C(=C\c1ccccn1)/C(=O)NCCF 11a_100000724931_100025712827 [0,1,0,0,0,0|2,0,0]=3 2203 B15R1.551 C/C(=C\c1ccccn1)/C(=O)NCCF 1626a_100000724931_100025712827 [0,1,0,0,0,0|2,0,0]=3 2204 B15R1.551 C/C(=C\c1ccccn1)/C(=O)NCCF 527a_100000724931_100025712827 [0,1,0,0,0,0|2,0,0]=3 2205 B15R1.551 C/C(=C\c1ccccn1)/C(=O)NCCO 527a_100000210304_100025712827 [0,1,0,0,0,0|1,0,0]=2 2206 B15R1.551 C=C(Cc1ccccc1)C(=O)NCC#N 1626a_100000734998_100000066491 [0,1,0,0,0,0|1,0,2]=4 2207 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC 11a_100020643023_100000066491 [0,1,0,0,0,0|1,0,1]=3 2208 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCC 1626a_100020643023_100000066491 [0,1,0,0,0,0|1,0,1]=3 2209 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCF 11a_100000724931_100000066491 [0,1,0,0,0,0|1,0,1]=3 2210 B15R1.551 C=C(Cc1ccccc1)C(=O)NCCF 1626a_100000724931_100000066491 [0,1,0,0,0,0|1,0,1]=3 2211 B15R1.551 C=C(Cc1ccccc1)C(=O)NNCC 22a_100000756455_100000066491 [0,1,0,0,0,0|2,0,1]=4 2212 B15R1.551 C=CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000754431 [0,1,0,0,0,0|2,0,1]=4 2213 B15R1.551 C=CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000754431 [0,1,0,0,0,0|2,0,1]=4 2214 B15R1.551 C=CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000754431 [0,1,0,0,0,0|2,0,1]=4 2215 B15R1.551 C=CCNC(=O)/C(=C/c1ccccc1)/C 1626a_100020586998_100016990649 [0,1,0,0,0,0|1,0,1]=3 2216 B15R1.551 C=CCNC(=O)/C(=C/c1ccccc1)/C 527a_100020586998_100016990649 [0,1,0,0,0,0|1,0,1]=3 2217 B15R1.551 C=CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020586998_200020598536 [0,1,0,0,0,0|1,0,1]=3 2218 B15R1.551 C=CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020586998_200020598536 [0,1,0,0,0,0|1,0,1]=3 2219 B15R1.551 C=CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020586998_200020598536 [0,1,0,0,0,0|1,0,1]=3 2220 B15R1.551 C=CCNC(=O)/C(=C/c1ccccn1)/C 1626a_100020586998_100025712827 [0,1,0,0,0,0|2,0,1]=4 2221 B15R1.551 C=CCNC(=O)/C(=C/c1ccccn1)/C 527a_100020586998_100025712827 [0,1,0,0,0,0|2,0,1]=4 2222 B15R1.551 C=CCNC(=O)/C(=C\c1ccccc1)/F 527a_100020586998_100020889036 [0,1,0,0,0,0|1,0,1]=3 2223 B15R1.551 C=CCNC(=O)C(=C)Cc1ccccc1 1626a_100020586998_100000066491 [0,1,0,0,0,0|1,0,2]=4 2224 B15R1.551 C=CCNC(=O)C(=Cc1cccnc1)F 240690a_100020586998_100000731744 [0,1,0,0,0,0|2,0,1]=4 2225 B15R1.551 C=CCNC(=O)C(=Cc1cccnc1)F 527a_100020586998_100000731744 [0,1,0,0,0,0|2,0,1]=4 2226 B15R1.551 C=CCNC(=O)C(=O)Nc1ccccc1 240690a_100020586998_100000738435 [0,1,0,0,0,0|2,0,1]=4 2227 B15R1.551 CC(Cc1ccccc1)C(=O)CCCO 1458a_100000754839_100011215043 [0,1,0,0,0,0|1,0,2]=4 2228 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 11a_100000724931_100000754839 [0,1,0,0,0,0|1,0,2]=4 2229 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 1626a_100000724931_100000754839 [0,1,0,0,0,0|1,0,2]=4 2230 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 240690a_100000724931_100000754839 [0,1,0,0,0,0|1,0,2]=4 2231 B15R1.551 CC(Cc1ccccc1)C(=O)NCCF 527a_100000724931_100000754839 [0,1,0,0,0,0|1,0,2]=4 2232 B15R1.551 CC(Cc1ccccc1)C(=O)NCCO 240690a_100000210304_100000754839 [0,1,0,0,0,0|0,0,2]=3 2233 B15R1.551 CC(Cc1ccccc1)C(=O)NCCO 527a_100000210304_100000754839 [0,1,0,0,0,0|0,0,2]=3 2234 B15R1.551 CC(Cc1ccccn1)C(=O)NCCO 240690a_100000210304_100012000792 [0,1,0,0,0,0|1,0,2]=4 2235 B15R1.551 CC(Cc1ccccn1)C(=O)NCCO 527a_100000210304_100012000792 [0,1,0,0,0,0|1,0,2]=4 2236 B15R1.551 CC(NCCO)C(=O)Nc1ccccc1 2230a_100000754830_100000211926 [0,1,0,0,0,0|2,0,1]=4 2237 B15R1.551 CC(NCCO)C(=O)Nc1ccccc1 2230a_100016997473_100000183986 [0,1,0,0,0,0|2,0,1]=4 2238 B15R1.551 CC(NCCO)C(=O)Nc1ccccc1 34a_100000754830_100000211926 [0,1,0,0,0,0|2,0,1]=4 2239 B15R1.551 CC(NCCO)C(=O)Nc1ccccc1 34a_100016990907_100000183986 [0,1,0,0,0,0|2,0,1]=4 2240 B15R1.551 CC(Oc1ccccc1)C(=O)CCCO 1458a_100000188414_100011215043 [0,1,0,0,0,0|2,0,1]=4 2241 B15R1.551 CC(Oc1ccccc1)C(=O)NCCF 11a_100000724931_100000188414 [0,1,0,0,0,0|2,0,1]=4 2242 B15R1.551 CC(Oc1ccccc1)C(=O)NCCF 1626a_100000724931_100000188414 [0,1,0,0,0,0|2,0,1]=4 2243 B15R1.551 CC(Oc1ccccc1)C(=O)NCCF 240690a_100000724931_100000188414 [0,1,0,0,0,0|2,0,1]=4 2244 B15R1.551 CC(Oc1ccccc1)C(=O)NCCF 527a_100000724931_100000188414 [0,1,0,0,0,0|2,0,1]=4 2245 B15R1.551 CC(Oc1ccccc1)C(=O)NCCO 240690a_100000210304_100000188414 [0,1,0,0,0,0|1,0,1]=3 2246 B15R1.551 CC(Oc1ccccc1)C(=O)NCCO 527a_100000210304_100000188414 [0,1,0,0,0,0|1,0,1]=3 2247 B15R1.551 CC(Sc1ccccc1)C(=O)CCCO 1458a_100000199063_100011215043 [0,1,0,0,0,0|2,0,1]=4 2248 B15R1.551 CC(Sc1ccccc1)C(=O)NCCF 11a_100000724931_100000199063 [0,1,0,0,0,0|2,0,1]=4 2249 B15R1.551 CC(Sc1ccccc1)C(=O)NCCF 1626a_100000724931_100000199063 [0,1,0,0,0,0|2,0,1]=4 2250 B15R1.551 CC(Sc1ccccc1)C(=O)NCCF 240690a_100000724931_100000199063 [0,1,0,0,0,0|2,0,1]=4 2251 B15R1.551 CC(Sc1ccccc1)C(=O)NCCF 527a_100000724931_100000199063 [0,1,0,0,0,0|2,0,1]=4 2252 B15R1.551 CC(Sc1ccccc1)C(=O)NCCO 240690a_100000210304_100000199063 [0,1,0,0,0,0|1,0,1]=3 2253 B15R1.551 CC(Sc1ccccc1)C(=O)NCCO 527a_100000210304_100000199063 [0,1,0,0,0,0|1,0,1]=3 2254 B15R1.551 CC(Sc1ccccn1)C(=O)NCCO 240690a_100000210304_100000156770 [0,1,0,0,0,0|2,0,1]=4 2255 B15R1.551 CC(Sc1ccccn1)C(=O)NCCO 527a_100000210304_100000156770 [0,1,0,0,0,0|2,0,1]=4 2256 B15R1.551 CCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210211 [0,1,0,0,0,0|2,0,0]=3 2257 B15R1.551 CCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210211 [0,1,0,0,0,0|2,0,0]=3 2258 B15R1.551 CCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210211 [0,1,0,0,0,0|3,0,0]=4 2259 B15R1.551 CCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210211 [0,1,0,0,0,0|2,0,0]=3 2260 B15R1.551 CCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210211 [0,1,0,0,0,0|3,0,0]=4 2261 B15R1.551 CCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210211 [0,1,0,0,0,0|3,0,0]=4 2262 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 11a_100020643023_100016990649 [0,1,0,0,0,0|1,0,0]=2 2263 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100020643023_100016990649 [0,1,0,0,0,0|1,0,0]=2 2264 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/C 527a_100020643023_100016990649 [0,1,0,0,0,0|1,0,0]=2 2265 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100020643023_200020598536 [0,1,0,0,0,0|1,0,0]=2 2266 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020643023_200020598536 [0,1,0,0,0,0|1,0,0]=2 2267 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020643023_200020598536 [0,1,0,0,0,0|1,0,0]=2 2268 B15R1.551 CCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020643023_200020598536 [0,1,0,0,0,0|1,0,0]=2 2269 B15R1.551 CCCNC(=O)/C(=C/c1ccccn1)/C 11a_100020643023_100025712827 [0,1,0,0,0,0|2,0,0]=3 2270 B15R1.551 CCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100020643023_100025712827 [0,1,0,0,0,0|2,0,0]=3 2271 B15R1.551 CCCNC(=O)/C(=C/c1ccccn1)/C 527a_100020643023_100025712827 [0,1,0,0,0,0|2,0,0]=3 2272 B15R1.551 CCCNC(=O)/C(=C\c1ccccc1)/F 11a_100020643023_100020889036 [0,1,0,0,0,0|1,0,0]=2 2273 B15R1.551 CCCNC(=O)/C(=C\c1ccccc1)/F 527a_100020643023_100020889036 [0,1,0,0,0,0|1,0,0]=2 2274 B15R1.551 CCCNC(=O)C(=Cc1cccnc1)F 11a_100020643023_100000731744 [0,1,0,0,0,0|2,0,0]=3 2275 B15R1.551 CCCNC(=O)C(=Cc1cccnc1)F 240690a_100020643023_100000731744 [0,1,0,0,0,0|2,0,0]=3 2276 B15R1.551 CCCNC(=O)C(=Cc1cccnc1)F 527a_100020643023_100000731744 [0,1,0,0,0,0|2,0,0]=3 2277 B15R1.551 CCCNC(=O)C(=O)Cc1ccccc1 1458a_200011297150_100015291786 [0,1,0,0,0,0|1,0,1]=3 2278 B15R1.551 CCCNC(=O)C(=O)Cc1ccccn1 1458a_200011297150_100000721315 [0,1,0,0,0,0|2,0,1]=4 2279 B15R1.551 CCCNC(=O)C(=O)Cc1cccnc1 1458a_200011297150_100000733263 [0,1,0,0,0,0|2,0,1]=4 2280 B15R1.551 CCCNC(=O)C(=O)Cc1ccncc1 1458a_200011297150_100000705612 [0,1,0,0,0,0|2,0,1]=4 2281 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_200011297150 [0,1,0,0,0,0|2,0,0]=3 2282 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 22a_100000106764_200011297150 [0,1,0,0,0,0|2,0,0]=3 2283 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 240690a_100020643023_100000738435 [0,1,0,0,0,0|2,0,0]=3 2284 B15R1.551 CCCNC(=O)C(=O)Nc1ccccc1 527a_100000106764_200011297150 [0,1,0,0,0,0|2,0,0]=3 2285 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 11a_100020643023_100000754839 [0,1,0,0,0,0|1,0,2]=4 2286 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 1626a_100020643023_100000754839 [0,1,0,0,0,0|1,0,2]=4 2287 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 240690a_100020643023_100000754839 [0,1,0,0,0,0|1,0,2]=4 2288 B15R1.551 CCCNC(=O)C(C)Cc1ccccc1 527a_100020643023_100000754839 [0,1,0,0,0,0|1,0,2]=4 2289 B15R1.551 CCCNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000230305 [0,1,0,0,0,0|2,0,1]=4 2290 B15R1.551 CCCNC(=O)C(C)Oc1ccccc1 11a_100020643023_100000188414 [0,1,0,0,0,0|2,0,1]=4 2291 B15R1.551 CCCNC(=O)C(C)Oc1ccccc1 1626a_100020643023_100000188414 [0,1,0,0,0,0|2,0,1]=4 2292 B15R1.551 CCCNC(=O)C(C)Oc1ccccc1 240690a_100020643023_100000188414 [0,1,0,0,0,0|2,0,1]=4 2293 B15R1.551 CCCNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000230305 [0,1,0,0,0,0|2,0,1]=4 2294 B15R1.551 CCCNC(=O)C(C)Oc1ccccc1 527a_100020643023_100000188414 [0,1,0,0,0,0|2,0,1]=4 2295 B15R1.551 CCCNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000230305 [0,1,0,0,0,0|2,0,1]=4 2296 B15R1.551 CCCNC(=O)C(C)Sc1ccccc1 11a_100020643023_100000199063 [0,1,0,0,0,0|2,0,1]=4 2297 B15R1.551 CCCNC(=O)C(C)Sc1ccccc1 1626a_100020643023_100000199063 [0,1,0,0,0,0|2,0,1]=4 2298 B15R1.551 CCCNC(=O)C(C)Sc1ccccc1 240690a_100020643023_100000199063 [0,1,0,0,0,0|2,0,1]=4 2299 B15R1.551 CCCNC(=O)C(C)Sc1ccccc1 527a_100020643023_100000199063 [0,1,0,0,0,0|2,0,1]=4 2300 B15R1.551 CCCNC(=O)C(C)Sc1ccccc1 62a_100000230305_100000041952 [0,1,0,0,0,0|2,0,1]=4 2301 B15R1.551 CCCNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000230305 [0,1,0,0,0,0|2,0,1]=4 2302 B15R1.551 CCCNC(=O)N(C)Cc1ccccc1 2708a_100020643023_100000186898 [0,1,0,0,0,0|2,0,1]=4 2303 B15R1.551 CCCNC(=O)N(C)Cc1ccccc1 273464a_100020643023_100000186898 [0,1,0,0,0,0|2,0,1]=4 2304 B15R1.551 CCCNC(=O)[C@H](O)Cc1ccccc1 240690a_100020643023_100009816399 [0,1,0,0,0,0|1,0,2]=4 2305 B15R1.551 CCNNC(=O)/C(=C/c1ccccc1)/C 22a_100000756455_100016990649 [0,1,0,0,0,0|2,0,0]=3 2306 B15R1.551 CCNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000756455_200020598536 [0,1,0,0,0,0|2,0,0]=3 2307 B15R1.551 CCNNC(=O)/C(=C/c1ccccn1)/C 22a_100000756455_100025712827 [0,1,0,0,0,0|3,0,0]=4 2308 B15R1.551 CCNNC(=O)/C(=C\c1ccccc1)/F 22a_100000756455_100020889036 [0,1,0,0,0,0|2,0,0]=3 2309 B15R1.551 CCNNC(=O)C(=Cc1cccnc1)F 22a_100000756455_100000731744 [0,1,0,0,0,0|3,0,0]=4 2310 B15R1.551 CCNNC(=O)C(=O)Nc1ccccc1 22a_100000756455_100000738435 [0,1,0,0,0,0|3,0,0]=4 2311 B15R1.551 CN(Cc1ccccc1)C(=O)NCCF 273464a_100000724931_100000186898 [0,1,0,0,0,0|2,0,1]=4 2312 B15R1.551 CN(Cc1ccccc1)C(=O)NCCO 273464a_100000210304_100000186898 [0,1,0,0,0,0|1,0,1]=3 2313 B15R1.551 CN(Cc1ccccn1)C(=O)NCCO 273464a_100000210304_100000207498 [0,1,0,0,0,0|2,0,1]=4 2314 B15R1.551 CN(Cc1cccnc1)C(=O)NCCO 273464a_100000210304_100000184577 [0,1,0,0,0,0|2,0,1]=4 2315 B15R1.551 CN(Cc1ccncc1)C(=O)NCCO 273464a_100000210304_100000187231 [0,1,0,0,0,0|2,0,1]=4 2316 B15R1.551 COCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000233755 [0,1,0,0,0,0|3,0,0]=4 2317 B15R1.551 COCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000233755 [0,1,0,0,0,0|3,0,0]=4 2318 B15R1.551 COCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000233755 [0,1,0,0,0,0|3,0,0]=4 2319 B15R1.551 CSCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000751147 [0,1,0,0,0,0|3,0,0]=4 2320 B15R1.551 CSCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000751147 [0,1,0,0,0,0|3,0,0]=4 2321 B15R1.551 CSCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000751147 [0,1,0,0,0,0|3,0,0]=4 2322 B15R1.551 N#CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215226 [0,1,0,0,0,0|2,0,1]=4 2323 B15R1.551 N#CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215226 [0,1,0,0,0,0|2,0,1]=4 2324 B15R1.551 N#CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000734998_200020598536 [0,1,0,0,0,0|1,0,1]=3 2325 B15R1.551 N#CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000734998_200020598536 [0,1,0,0,0,0|1,0,1]=3 2326 B15R1.551 N#CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000734998_100020889036 [0,1,0,0,0,0|1,0,1]=3 2327 B15R1.551 N#CCNC(=O)C(=Cc1cccnc1)F 527a_100000734998_100000731744 [0,1,0,0,0,0|2,0,1]=4 2328 B15R1.551 O=C(CCCF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011934791 [0,1,0,0,0,0|2,0,0]=3 2329 B15R1.551 O=C(CCCF)/C(=C\c1ccccc1)/F 1458a_100020889036_100011934791 [0,1,0,0,0,0|2,0,0]=3 2330 B15R1.551 O=C(CCCF)C(=Cc1cccnc1)F 1458a_100000731744_100011934791 [0,1,0,0,0,0|3,0,0]=4 2331 B15R1.551 O=C(CCCF)C(=O)Nc1ccccc1 1458a_100000738435_100011934791 [0,1,0,0,0,0|3,0,0]=4 2332 B15R1.551 O=C(CCCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215043 [0,1,0,0,0,0|1,0,0]=2 2333 B15R1.551 O=C(CCCO)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215043 [0,1,0,0,0,0|1,0,0]=2 2334 B15R1.551 O=C(CCCO)C(=Cc1cccnc1)F 1458a_100000731744_100011215043 [0,1,0,0,0,0|2,0,0]=3 2335 B15R1.551 O=C(CCCO)C(=O)Nc1ccccc1 1458a_100000738435_100011215043 [0,1,0,0,0,0|2,0,0]=3 2336 B15R1.551 O=C(CCCO)[C@H](O)Cc1ccccc1 1458a_100009816399_100011215043 [0,1,0,0,0,0|1,0,2]=4 2337 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 11a_100000724931_200020598536 [0,1,0,0,0,0|1,0,0]=2 2338 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 1626a_100000724931_200020598536 [0,1,0,0,0,0|1,0,0]=2 2339 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 240690a_100000724931_200020598536 [0,1,0,0,0,0|1,0,0]=2 2340 B15R1.551 O=C(NCCF)/C(=C/c1ccccc1)/Cl 527a_100000724931_200020598536 [0,1,0,0,0,0|1,0,0]=2 2341 B15R1.551 O=C(NCCF)/C(=C\c1ccccc1)/F 11a_100000724931_100020889036 [0,1,0,0,0,0|1,0,0]=2 2342 B15R1.551 O=C(NCCF)/C(=C\c1ccccc1)/F 527a_100000724931_100020889036 [0,1,0,0,0,0|1,0,0]=2 2343 B15R1.551 O=C(NCCF)C(=Cc1cccnc1)F 11a_100000724931_100000731744 [0,1,0,0,0,0|2,0,0]=3 2344 B15R1.551 O=C(NCCF)C(=Cc1cccnc1)F 240690a_100000724931_100000731744 [0,1,0,0,0,0|2,0,0]=3 2345 B15R1.551 O=C(NCCF)C(=Cc1cccnc1)F 527a_100000724931_100000731744 [0,1,0,0,0,0|2,0,0]=3 2346 B15R1.551 O=C(NCCF)C(=O)Nc1ccccc1 240690a_100000724931_100000738435 [0,1,0,0,0,0|2,0,0]=3 2347 B15R1.551 O=C(NCCF)[C@H](O)Cc1ccccc1 240690a_100000724931_100009816399 [0,1,0,0,0,0|1,0,2]=4 2348 B15R1.551 O=C(NCCO)/C(=C/c1ccccc1)/Cl 240690a_100000210304_200020598536 [0,1,0,0,0,0|0,0,0]=1 2349 B15R1.551 O=C(NCCO)/C(=C/c1ccccc1)/Cl 527a_100000210304_200020598536 [0,1,0,0,0,0|0,0,0]=1 2350 B15R1.551 O=C(NCCO)/C(=C\c1ccccc1)/F 527a_100000210304_100020889036 [0,1,0,0,0,0|0,0,0]=1 2351 B15R1.551 O=C(NCCO)C(=Cc1cccnc1)F 240690a_100000210304_100000731744 [0,1,0,0,0,0|1,0,0]=2 2352 B15R1.551 O=C(NCCO)C(=Cc1cccnc1)F 527a_100000210304_100000731744 [0,1,0,0,0,0|1,0,0]=2 2353 B15R1.551 O=C(NCCO)C(=O)Nc1ccccc1 240690a_100000210304_100000738435 [0,1,0,0,0,0|1,0,0]=2 2354 B15R1.551 O=C(NCCO)[C@H](O)Cc1ccccc1 240690a_100000210304_100009816399 [0,1,0,0,0,0|0,0,2]=3 2355 B15R1.741 C#CC(C)NC(=O)C=Cc1ccccc1 11a_100000707721_100000210462 [0,1,0,0,0,0|1,0,1]=3 2356 B15R1.741 C#CC(C)NC(=O)C=Cc1ccccc1 1626a_100000707721_100000210462 [0,1,0,0,0,0|1,0,1]=3 2357 B15R1.741 C#CC(C)NC(=O)C=Cc1ccccn1 11a_100000707721_100000740811 [0,1,0,0,0,0|2,0,1]=4 2358 B15R1.741 C#CC(C)NC(=O)C=Cc1ccccn1 240690a_100000707721_100000740811 [0,1,0,0,0,0|2,0,1]=4 2359 B15R1.741 C#CC(C)NC(=O)C=Cc1cccnc1 11a_100000707721_100000735890 [0,1,0,0,0,0|2,0,1]=4 2360 B15R1.741 C#CC(C)NC(=O)C=Cc1cccnc1 240690a_100000707721_100000735890 [0,1,0,0,0,0|2,0,1]=4 2361 B15R1.741 C#CC(C)NC(=O)C=Cc1ccncc1 240690a_100000707721_100000682801 [0,1,0,0,0,0|2,0,1]=4 2362 B15R1.741 CC(C#N)NC(=O)C=Cc1ccccc1 11a_100000737613_100000210462 [0,1,0,0,0,0|1,0,1]=3 2363 B15R1.741 CC(C#N)NC(=O)C=Cc1ccccc1 1626a_100000737613_100000210462 [0,1,0,0,0,0|1,0,1]=3 2364 B15R1.741 CC(C#N)NC(=O)C=Cc1ccccn1 11a_100000737613_100000740811 [0,1,0,0,0,0|2,0,1]=4 2365 B15R1.741 CC(C#N)NC(=O)C=Cc1cccnc1 11a_100000737613_100000735890 [0,1,0,0,0,0|2,0,1]=4 2366 B15R1.741 CCC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000747405 [0,1,0,0,0,0|2,0,1]=4 2367 B15R1.741 CCC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000748023 [0,1,0,0,0,0|2,0,0]=3 2368 B15R1.741 CCC(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000748023 [0,1,0,0,0,0|3,0,0]=4 2369 B15R1.741 CCC(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000748023 [0,1,0,0,0,0|3,0,0]=4 2370 B15R1.741 CCC(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000748023 [0,1,0,0,0,0|3,0,0]=4 2371 B15R1.741 CCC(C)NC(=O)C#Cc1ccccc1 240690a_100000209981_100000736102 [0,1,0,0,0,0|1,0,2]=4 2372 B15R1.741 CCC(C)NC(=O)C=Cc1ccccc1 11a_100000209981_100000210462 [0,1,0,0,0,0|1,0,0]=2 2373 B15R1.741 CCC(C)NC(=O)C=Cc1ccccc1 1626a_100000209981_100000210462 [0,1,0,0,0,0|1,0,0]=2 2374 B15R1.741 CCC(C)NC(=O)C=Cc1ccccn1 11a_100000209981_100000740811 [0,1,0,0,0,0|2,0,0]=3 2375 B15R1.741 CCC(C)NC(=O)C=Cc1ccccn1 240690a_100000209981_100000740811 [0,1,0,0,0,0|2,0,0]=3 2376 B15R1.741 CCC(C)NC(=O)C=Cc1cccnc1 11a_100000209981_100000735890 [0,1,0,0,0,0|2,0,0]=3 2377 B15R1.741 CCC(C)NC(=O)C=Cc1cccnc1 240690a_100000209981_100000735890 [0,1,0,0,0,0|2,0,0]=3 2378 B15R1.741 CCC(C)NC(=O)C=Cc1ccncc1 240690a_100000209981_100000682801 [0,1,0,0,0,0|2,0,0]=3 2379 B15R1.741 CCC(C)NC(=O)CCc1ccccc1 11a_100000209981_100000185753 [0,1,0,0,0,0|1,0,2]=4 2380 B15R1.741 CCC(C)NC(=O)CCc1ccccc1 1626a_100000209981_100000185753 [0,1,0,0,0,0|1,0,2]=4 2381 B15R1.741 CCC(C)NC(=O)CCc1ccccc1 240690a_100000209981_100000185753 [0,1,0,0,0,0|1,0,2]=4 2382 B15R1.741 CCC(C)NC(=O)CCc1ccccc1 527a_100000209981_100000185753 [0,1,0,0,0,0|1,0,2]=4 2383 B15R1.741 CCC(C)NC(=O)CNc1ccccc1 34a_100000106764_100000182745 [0,1,0,0,0,0|2,0,1]=4 2384 B15R1.741 CCC(C)NC(=O)COc1ccccc1 11a_100000209981_100000186222 [0,1,0,0,0,0|2,0,1]=4 2385 B15R1.741 CCC(C)NC(=O)COc1ccccc1 1626a_100000209981_100000186222 [0,1,0,0,0,0|2,0,1]=4 2386 B15R1.741 CCC(C)NC(=O)COc1ccccc1 240690a_100000209981_100000186222 [0,1,0,0,0,0|2,0,1]=4 2387 B15R1.741 CCC(C)NC(=O)COc1ccccc1 34a_100000210340_100000182745 [0,1,0,0,0,0|2,0,1]=4 2388 B15R1.741 CCC(C)NC(=O)COc1ccccc1 527a_100000209981_100000186222 [0,1,0,0,0,0|2,0,1]=4 2389 B15R1.741 CCC(C)NC(=O)COc1ccccc1 7a_100000210340_100000182745 [0,1,0,0,0,0|2,0,1]=4 2390 B15R1.741 CCC(C)NC(=O)CSc1ccccc1 11a_100000209981_100000211596 [0,1,0,0,0,0|2,0,1]=4 2391 B15R1.741 CCC(C)NC(=O)CSc1ccccc1 1626a_100000209981_100000211596 [0,1,0,0,0,0|2,0,1]=4 2392 B15R1.741 CCC(C)NC(=O)CSc1ccccc1 240690a_100000209981_100000211596 [0,1,0,0,0,0|2,0,1]=4 2393 B15R1.741 CCC(C)NC(=O)CSc1ccccc1 527a_100000209981_100000211596 [0,1,0,0,0,0|2,0,1]=4 2394 B15R1.741 CCC(C)NC(=O)CSc1ccccc1 62a_100000182745_100000041952 [0,1,0,0,0,0|2,0,1]=4 2395 B15R1.741 CCC(C)NC(=O)CSc1ccccc1 62a_100000719477_100000182745 [0,1,0,0,0,0|2,0,1]=4 2396 B15R1.741 CCC(C)NC(=O)NCc1ccccc1 2708a_100000209981_100015324214 [0,1,0,0,0,0|2,0,1]=4 2397 B15R1.741 CCC(C)NC(=O)NCc1ccccc1 2708a_100015324214_100000209981 [0,1,0,0,0,0|2,0,1]=4 2398 B15R1.741 CCC(C)NC(=O)NCc1ccccc1 273464a_100000209981_100015324214 [0,1,0,0,0,0|2,0,1]=4 2399 B15R1.741 CCC(C)NC(=O)NCc1ccccc1 273464a_100015324214_100000209981 [0,1,0,0,0,0|2,0,1]=4 2400 B15R1.741 CCC(C)NC(=O)NCc1ccccc1 512a_100000209981_100015324214 [0,1,0,0,0,0|2,0,1]=4 2401 B15R1.741 CCC(C)NC(=O)NCc1ccccc1 512a_100015324214_100000209981 [0,1,0,0,0,0|2,0,1]=4 2402 B15R1.741 CCC(C)NC(=O)NNc1ccccc1 273464a_100000209981_100015195140 [0,1,0,0,0,0|3,0,0]=4 2403 B15R1.741 CCC(C)NC(=O)NNc1ccccc1 512a_100000209981_100015195140 [0,1,0,0,0,0|3,0,0]=4 2404 B15R1.741 CCC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011218378 [0,1,0,0,0,0|2,0,0]=3 2405 B15R1.741 CCC(O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100011218378 [0,1,0,0,0,0|3,0,0]=4 2406 B15R1.741 CCC(O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100011218378 [0,1,0,0,0,0|3,0,0]=4 2407 B15R1.741 CCC(O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100011218378 [0,1,0,0,0,0|3,0,0]=4 2408 B15R1.741 CC[C@H](C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100009816398 [0,1,0,0,0,0|2,0,0]=3 2409 B15R1.741 CC[C@H](C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100009816398 [0,1,0,0,0,0|3,0,0]=4 2410 B15R1.741 CC[C@H](C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100009816398 [0,1,0,0,0,0|3,0,0]=4 2411 B15R1.741 CC[C@H](C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100009816398 [0,1,0,0,0,0|3,0,0]=4 2412 B15R1.741 C[C@@H](CO)CC(=O)C#Cc1ccccc1 1458a_100000736102_100000059175 [0,1,0,0,0,0|1,0,2]=4 2413 B15R1.741 C[C@@H](CO)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000059175 [0,1,0,0,0,0|1,0,0]=2 2414 B15R1.741 C[C@@H](CO)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000059175 [0,1,0,0,0,0|2,0,0]=3 2415 B15R1.741 C[C@@H](CO)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000059175 [0,1,0,0,0,0|2,0,0]=3 2416 B15R1.741 C[C@@H](CO)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000059175 [0,1,0,0,0,0|2,0,0]=3 2417 B15R1.741 C[C@@H](CO)CC(=O)CCc1ccccc1 1458a_100000185753_100000059175 [0,1,0,0,0,0|1,0,2]=4 2418 B15R1.741 C[C@@H](CO)CC(=O)COc1ccccc1 1458a_100000186222_100000059175 [0,1,0,0,0,0|2,0,1]=4 2419 B15R1.741 C[C@@H](CO)CC(=O)CSc1ccccc1 1458a_100000211596_100000059175 [0,1,0,0,0,0|2,0,1]=4 2420 B15R1.741 C[C@H](CF)NC(=O)C#Cc1ccccc1 240690a_100102880703_100000736102 [0,1,0,0,0,0|1,0,2]=4 2421 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccccc1 11a_100102880703_100000210462 [0,1,0,0,0,0|1,0,0]=2 2422 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccccc1 1626a_100102880703_100000210462 [0,1,0,0,0,0|1,0,0]=2 2423 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccccn1 11a_100102880703_100000740811 [0,1,0,0,0,0|2,0,0]=3 2424 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccccn1 240690a_100102880703_100000740811 [0,1,0,0,0,0|2,0,0]=3 2425 B15R1.741 C[C@H](CF)NC(=O)C=Cc1cccnc1 11a_100102880703_100000735890 [0,1,0,0,0,0|2,0,0]=3 2426 B15R1.741 C[C@H](CF)NC(=O)C=Cc1cccnc1 240690a_100102880703_100000735890 [0,1,0,0,0,0|2,0,0]=3 2427 B15R1.741 C[C@H](CF)NC(=O)C=Cc1ccncc1 240690a_100102880703_100000682801 [0,1,0,0,0,0|2,0,0]=3 2428 B15R1.741 C[C@H](CF)NC(=O)CCc1ccccc1 11a_100102880703_100000185753 [0,1,0,0,0,0|1,0,2]=4 2429 B15R1.741 C[C@H](CF)NC(=O)CCc1ccccc1 1626a_100102880703_100000185753 [0,1,0,0,0,0|1,0,2]=4 2430 B15R1.741 C[C@H](CF)NC(=O)CCc1ccccc1 240690a_100102880703_100000185753 [0,1,0,0,0,0|1,0,2]=4 2431 B15R1.741 C[C@H](CF)NC(=O)CCc1ccccc1 527a_100102880703_100000185753 [0,1,0,0,0,0|1,0,2]=4 2432 B15R1.741 C[C@H](CF)NC(=O)COc1ccccc1 11a_100102880703_100000186222 [0,1,0,0,0,0|2,0,1]=4 2433 B15R1.741 C[C@H](CF)NC(=O)COc1ccccc1 1626a_100102880703_100000186222 [0,1,0,0,0,0|2,0,1]=4 2434 B15R1.741 C[C@H](CF)NC(=O)COc1ccccc1 240690a_100102880703_100000186222 [0,1,0,0,0,0|2,0,1]=4 2435 B15R1.741 C[C@H](CF)NC(=O)COc1ccccc1 527a_100102880703_100000186222 [0,1,0,0,0,0|2,0,1]=4 2436 B15R1.741 C[C@H](CF)NC(=O)CSc1ccccc1 11a_100102880703_100000211596 [0,1,0,0,0,0|2,0,1]=4 2437 B15R1.741 C[C@H](CF)NC(=O)CSc1ccccc1 1626a_100102880703_100000211596 [0,1,0,0,0,0|2,0,1]=4 2438 B15R1.741 C[C@H](CF)NC(=O)CSc1ccccc1 240690a_100102880703_100000211596 [0,1,0,0,0,0|2,0,1]=4 2439 B15R1.741 C[C@H](CF)NC(=O)CSc1ccccc1 527a_100102880703_100000211596 [0,1,0,0,0,0|2,0,1]=4 2440 B15R1.741 C[C@H](CF)NC(=O)NCc1ccccc1 2708a_100015324214_100102880703 [0,1,0,0,0,0|2,0,1]=4 2441 B15R1.741 C[C@H](CF)NC(=O)NCc1ccccc1 273464a_100015324214_100102880703 [0,1,0,0,0,0|2,0,1]=4 2442 B15R1.741 C[C@H](CF)NC(=O)NCc1ccccc1 273464a_100102880703_100015324214 [0,1,0,0,0,0|2,0,1]=4 2443 B15R1.741 C[C@H](CF)NC(=O)NCc1ccccc1 512a_100015324214_100102880703 [0,1,0,0,0,0|2,0,1]=4 2444 B15R1.741 C[C@H](CF)NC(=O)NCc1ccccc1 512a_100102880703_100015324214 [0,1,0,0,0,0|2,0,1]=4 2445 B15R1.741 C[C@H](CF)NC(=O)NNc1ccccc1 273464a_100102880703_100015195140 [0,1,0,0,0,0|3,0,0]=4 2446 B15R1.741 C[C@H](CF)NC(=O)NNc1ccccc1 512a_100102880703_100015195140 [0,1,0,0,0,0|3,0,0]=4 2447 B15R1.741 C[C@H](CO)NC(=O)C#Cc1ccccc1 240690a_100000737577_100000736102 [0,1,0,0,0,0|0,0,2]=3 2448 B15R1.741 C[C@H](CO)NC(=O)C=Cc1ccccn1 240690a_100000737577_100000740811 [0,1,0,0,0,0|1,0,0]=2 2449 B15R1.741 C[C@H](CO)NC(=O)C=Cc1cccnc1 240690a_100000737577_100000735890 [0,1,0,0,0,0|1,0,0]=2 2450 B15R1.741 C[C@H](CO)NC(=O)C=Cc1ccncc1 240690a_100000737577_100000682801 [0,1,0,0,0,0|1,0,0]=2 2451 B15R1.741 C[C@H](CO)NC(=O)CCc1ccccc1 240690a_100000737577_100000185753 [0,1,0,0,0,0|0,0,2]=3 2452 B15R1.741 C[C@H](CO)NC(=O)CCc1ccccc1 527a_100000737577_100000185753 [0,1,0,0,0,0|0,0,2]=3 2453 B15R1.741 C[C@H](CO)NC(=O)CCc1ccccn1 240690a_100000737577_100015195070 [0,1,0,0,0,0|1,0,2]=4 2454 B15R1.741 C[C@H](CO)NC(=O)CCc1ccccn1 527a_100000737577_100015195070 [0,1,0,0,0,0|1,0,2]=4 2455 B15R1.741 C[C@H](CO)NC(=O)CCc1cccnc1 240690a_100000737577_100000198484 [0,1,0,0,0,0|1,0,2]=4 2456 B15R1.741 C[C@H](CO)NC(=O)CCc1cccnc1 527a_100000737577_100000198484 [0,1,0,0,0,0|1,0,2]=4 2457 B15R1.741 C[C@H](CO)NC(=O)CCc1ccncc1 240690a_100000737577_100011225043 [0,1,0,0,0,0|1,0,2]=4 2458 B15R1.741 C[C@H](CO)NC(=O)CCc1ccncc1 527a_100000737577_100011225043 [0,1,0,0,0,0|1,0,2]=4 2459 B15R1.741 C[C@H](CO)NC(=O)COc1ccccc1 240690a_100000737577_100000186222 [0,1,0,0,0,0|1,0,1]=3 2460 B15R1.741 C[C@H](CO)NC(=O)COc1ccccc1 527a_100000737577_100000186222 [0,1,0,0,0,0|1,0,1]=3 2461 B15R1.741 C[C@H](CO)NC(=O)COc1ccccn1 240690a_100000737577_100102699861 [0,1,0,0,0,0|2,0,1]=4 2462 B15R1.741 C[C@H](CO)NC(=O)COc1ccccn1 527a_100000737577_100102699861 [0,1,0,0,0,0|2,0,1]=4 2463 B15R1.741 C[C@H](CO)NC(=O)COc1cccnc1 240690a_100000737577_100015207166 [0,1,0,0,0,0|2,0,1]=4 2464 B15R1.741 C[C@H](CO)NC(=O)COc1cccnc1 527a_100000737577_100015207166 [0,1,0,0,0,0|2,0,1]=4 2465 B15R1.741 C[C@H](CO)NC(=O)CSc1ccccc1 240690a_100000737577_100000211596 [0,1,0,0,0,0|1,0,1]=3 2466 B15R1.741 C[C@H](CO)NC(=O)CSc1ccccc1 527a_100000737577_100000211596 [0,1,0,0,0,0|1,0,1]=3 2467 B15R1.741 C[C@H](CO)NC(=O)CSc1ccccn1 240690a_100000737577_100000156281 [0,1,0,0,0,0|2,0,1]=4 2468 B15R1.741 C[C@H](CO)NC(=O)CSc1ccccn1 527a_100000737577_100000156281 [0,1,0,0,0,0|2,0,1]=4 2469 B15R1.741 C[C@H](CO)NC(=O)CSc1ccncc1 240690a_100000737577_100000211328 [0,1,0,0,0,0|2,0,1]=4 2470 B15R1.741 C[C@H](CO)NC(=O)CSc1ccncc1 527a_100000737577_100000211328 [0,1,0,0,0,0|2,0,1]=4 2471 B15R1.741 C[C@H](CO)NC(=O)NCc1ccccc1 2708a_100015324214_100000737577 [0,1,0,0,0,0|1,0,1]=3 2472 B15R1.741 C[C@H](CO)NC(=O)NCc1ccccc1 273464a_100000737577_100015324214 [0,1,0,0,0,0|1,0,1]=3 2473 B15R1.741 C[C@H](CO)NC(=O)NCc1ccccc1 512a_100000737577_100015324214 [0,1,0,0,0,0|1,0,1]=3 2474 B15R1.741 C[C@H](CO)NC(=O)NCc1ccccc1 512a_100015324214_100000737577 [0,1,0,0,0,0|1,0,1]=3 2475 B15R1.741 C[C@H](CO)NC(=O)NCc1ccccn1 2708a_100000210449_100000737577 [0,1,0,0,0,0|2,0,1]=4 2476 B15R1.741 C[C@H](CO)NC(=O)NCc1ccccn1 273464a_100000737577_100000210449 [0,1,0,0,0,0|2,0,1]=4 2477 B15R1.741 C[C@H](CO)NC(=O)NCc1ccccn1 512a_100000737577_100000210449 [0,1,0,0,0,0|2,0,1]=4 2478 B15R1.741 C[C@H](CO)NC(=O)NCc1cccnc1 2708a_100000210453_100000737577 [0,1,0,0,0,0|2,0,1]=4 2479 B15R1.741 C[C@H](CO)NC(=O)NCc1cccnc1 273464a_100000737577_100000210453 [0,1,0,0,0,0|2,0,1]=4 2480 B15R1.741 C[C@H](CO)NC(=O)NCc1cccnc1 512a_100000210453_100000737577 [0,1,0,0,0,0|2,0,1]=4 2481 B15R1.741 C[C@H](CO)NC(=O)NCc1cccnc1 512a_100000737577_100000210453 [0,1,0,0,0,0|2,0,1]=4 2482 B15R1.741 C[C@H](CO)NC(=O)NCc1ccncc1 2708a_100000210450_100000737577 [0,1,0,0,0,0|2,0,1]=4 2483 B15R1.741 C[C@H](CO)NC(=O)NCc1ccncc1 273464a_100000737577_100000210450 [0,1,0,0,0,0|2,0,1]=4 2484 B15R1.741 C[C@H](CO)NC(=O)NCc1ccncc1 512a_100000737577_100000210450 [0,1,0,0,0,0|2,0,1]=4 2485 B15R1.741 C[C@H](CO)NC(=O)NNc1ccccc1 273464a_100000737577_100015195140 [0,1,0,0,0,0|2,0,0]=3 2486 B15R1.741 C[C@H](CO)NC(=O)NNc1ccccc1 512a_100000737577_100015195140 [0,1,0,0,0,0|2,0,0]=3 2487 B15R1.741 C[C@H](CO)NC(=O)NNc1ccccn1 273464a_100000737577_100000183288 [0,1,0,0,0,0|3,0,0]=4 2488 B15R1.741 C[C@H](CO)NC(=O)NNc1ccccn1 512a_100000737577_100000183288 [0,1,0,0,0,0|3,0,0]=4 2489 B15R1.741 C[C@H](CO)NC(=O)NNc1cccnc1 273464a_100000737577_100000728903 [0,1,0,0,0,0|3,0,0]=4 2490 B15R1.741 C[C@H](CO)NC(=O)NNc1cccnc1 512a_100000737577_100000728903 [0,1,0,0,0,0|3,0,0]=4 2491 B15R1.741 C[C@H](CO)NC(=O)NNc1ccncc1 273464a_100000737577_100000698918 [0,1,0,0,0,0|3,0,0]=4 2492 B15R1.741 C[C@H](CO)NC(=O)NNc1ccncc1 512a_100000737577_100000698918 [0,1,0,0,0,0|3,0,0]=4 2493 B15R1.826 C#CCN(C)C(=O)C=Cc1ccccc1 11a_100000225692_100000210462 [0,1,0,0,0,0|1,0,1]=3 2494 B15R1.826 C#CCN(C)C(=O)C=Cc1ccccc1 1626a_100000225692_100000210462 [0,1,0,0,0,0|1,0,1]=3 2495 B15R1.826 C#CCN(C)C(=O)C=Cc1ccccn1 11a_100000225692_100000740811 [0,1,0,0,0,0|2,0,1]=4 2496 B15R1.826 C#CCN(C)C(=O)C=Cc1cccnc1 11a_100000225692_100000735890 [0,1,0,0,0,0|2,0,1]=4 2497 B15R1.826 C=CCN(C)C(=O)C=Cc1ccccc1 11a_100000225617_100000210462 [0,1,0,0,0,0|1,0,1]=3 2498 B15R1.826 C=CCN(C)C(=O)C=Cc1ccccc1 1626a_100000225617_100000210462 [0,1,0,0,0,0|1,0,1]=3 2499 B15R1.826 C=CCN(C)C(=O)C=Cc1ccccn1 11a_100000225617_100000740811 [0,1,0,0,0,0|2,0,1]=4 2500 B15R1.826 C=CCN(C)C(=O)C=Cc1ccccn1 240690a_100000225617_100000740811 [0,1,0,0,0,0|2,0,1]=4 2501 B15R1.826 C=CCN(C)C(=O)C=Cc1cccnc1 11a_100000225617_100000735890 [0,1,0,0,0,0|2,0,1]=4 2502 B15R1.826 C=CCN(C)C(=O)C=Cc1cccnc1 240690a_100000225617_100000735890 [0,1,0,0,0,0|2,0,1]=4 2503 B15R1.826 C=CCN(C)C(=O)C=Cc1ccncc1 240690a_100000225617_100000682801 [0,1,0,0,0,0|2,0,1]=4 2504 B15R1.826 CC(CC#N)C(=O)C=Cc1ccccc1 1458a_100000210462_100009813641 [0,1,0,0,0,0|2,0,1]=4 2505 B15R1.826 CC(CCO)C(=O)C#Cc1ccccc1 1458a_100000736102_100009893172 [0,1,0,0,0,0|1,0,2]=4 2506 B15R1.826 CC(CCO)C(=O)C=Cc1ccccc1 1458a_100000210462_100009893172 [0,1,0,0,0,0|1,0,0]=2 2507 B15R1.826 CC(CCO)C(=O)C=Cc1ccccn1 1458a_100000740811_100009893172 [0,1,0,0,0,0|2,0,0]=3 2508 B15R1.826 CC(CCO)C(=O)C=Cc1cccnc1 1458a_100000735890_100009893172 [0,1,0,0,0,0|2,0,0]=3 2509 B15R1.826 CC(CCO)C(=O)C=Cc1ccncc1 1458a_100000682801_100009893172 [0,1,0,0,0,0|2,0,0]=3 2510 B15R1.826 CC(CCO)C(=O)CCc1ccccc1 1458a_100000185753_100009893172 [0,1,0,0,0,0|1,0,2]=4 2511 B15R1.826 CC(CCO)C(=O)COc1ccccc1 1458a_100000186222_100009893172 [0,1,0,0,0,0|2,0,1]=4 2512 B15R1.826 CC(CCO)C(=O)CSc1ccccc1 1458a_100000211596_100009893172 [0,1,0,0,0,0|2,0,1]=4 2513 B15R1.826 CCCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000766640 [0,1,0,0,0,0|2,0,0]=3 2514 B15R1.826 CCCC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100000766640 [0,1,0,0,0,0|3,0,0]=4 2515 B15R1.826 CCCC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_100000766640 [0,1,0,0,0,0|3,0,0]=4 2516 B15R1.826 CCCC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_100000766640 [0,1,0,0,0,0|3,0,0]=4 2517 B15R1.826 CCCN(C)C(=O)C#Cc1ccccc1 240690a_100000747261_100000736102 [0,1,0,0,0,0|1,0,2]=4 2518 B15R1.826 CCCN(C)C(=O)C=Cc1ccccc1 11a_100000747261_100000210462 [0,1,0,0,0,0|1,0,0]=2 2519 B15R1.826 CCCN(C)C(=O)C=Cc1ccccc1 1626a_100000747261_100000210462 [0,1,0,0,0,0|1,0,0]=2 2520 B15R1.826 CCCN(C)C(=O)C=Cc1ccccn1 11a_100000747261_100000740811 [0,1,0,0,0,0|2,0,0]=3 2521 B15R1.826 CCCN(C)C(=O)C=Cc1ccccn1 240690a_100000747261_100000740811 [0,1,0,0,0,0|2,0,0]=3 2522 B15R1.826 CCCN(C)C(=O)C=Cc1cccnc1 11a_100000747261_100000735890 [0,1,0,0,0,0|2,0,0]=3 2523 B15R1.826 CCCN(C)C(=O)C=Cc1cccnc1 240690a_100000747261_100000735890 [0,1,0,0,0,0|2,0,0]=3 2524 B15R1.826 CCCN(C)C(=O)C=Cc1ccncc1 240690a_100000747261_100000682801 [0,1,0,0,0,0|2,0,0]=3 2525 B15R1.826 CCCN(C)C(=O)CCc1ccccc1 11a_100000747261_100000185753 [0,1,0,0,0,0|1,0,2]=4 2526 B15R1.826 CCCN(C)C(=O)CCc1ccccc1 1626a_100000747261_100000185753 [0,1,0,0,0,0|1,0,2]=4 2527 B15R1.826 CCCN(C)C(=O)CCc1ccccc1 240690a_100000747261_100000185753 [0,1,0,0,0,0|1,0,2]=4 2528 B15R1.826 CCCN(C)C(=O)CCc1ccccc1 527a_100000747261_100000185753 [0,1,0,0,0,0|1,0,2]=4 2529 B15R1.826 CCCN(C)C(=O)COc1ccccc1 11a_100000747261_100000186222 [0,1,0,0,0,0|2,0,1]=4 2530 B15R1.826 CCCN(C)C(=O)COc1ccccc1 1626a_100000747261_100000186222 [0,1,0,0,0,0|2,0,1]=4 2531 B15R1.826 CCCN(C)C(=O)COc1ccccc1 240690a_100000747261_100000186222 [0,1,0,0,0,0|2,0,1]=4 2532 B15R1.826 CCCN(C)C(=O)COc1ccccc1 527a_100000747261_100000186222 [0,1,0,0,0,0|2,0,1]=4 2533 B15R1.826 CCCN(C)C(=O)CSc1ccccc1 11a_100000747261_100000211596 [0,1,0,0,0,0|2,0,1]=4 2534 B15R1.826 CCCN(C)C(=O)CSc1ccccc1 1626a_100000747261_100000211596 [0,1,0,0,0,0|2,0,1]=4 2535 B15R1.826 CCCN(C)C(=O)CSc1ccccc1 240690a_100000747261_100000211596 [0,1,0,0,0,0|2,0,1]=4 2536 B15R1.826 CCCN(C)C(=O)CSc1ccccc1 527a_100000747261_100000211596 [0,1,0,0,0,0|2,0,1]=4 2537 B15R1.826 CCCN(C)C(=O)NCc1ccccc1 2708a_100015324214_100000747261 [0,1,0,0,0,0|2,0,1]=4 2538 B15R1.826 CCCN(C)C(=O)NCc1ccccc1 273464a_100015324214_100000747261 [0,1,0,0,0,0|2,0,1]=4 2539 B15R1.826 CN(CC#N)C(=O)C=Cc1ccccc1 11a_100000748184_100000210462 [0,1,0,0,0,0|1,0,1]=3 2540 B15R1.826 CN(CC#N)C(=O)C=Cc1ccccc1 1626a_100000748184_100000210462 [0,1,0,0,0,0|1,0,1]=3 2541 B15R1.826 CN(CC#N)C(=O)C=Cc1ccccn1 11a_100000748184_100000740811 [0,1,0,0,0,0|2,0,1]=4 2542 B15R1.826 CN(CC#N)C(=O)C=Cc1cccnc1 11a_100000748184_100000735890 [0,1,0,0,0,0|2,0,1]=4 2543 B15R1.826 CN(CCO)C(=O)C#Cc1ccccc1 240690a_100000210263_100000736102 [0,1,0,0,0,0|0,0,2]=3 2544 B15R1.826 CN(CCO)C(=O)C=Cc1ccccn1 240690a_100000210263_100000740811 [0,1,0,0,0,0|1,0,0]=2 2545 B15R1.826 CN(CCO)C(=O)C=Cc1cccnc1 240690a_100000210263_100000735890 [0,1,0,0,0,0|1,0,0]=2 2546 B15R1.826 CN(CCO)C(=O)C=Cc1ccncc1 240690a_100000210263_100000682801 [0,1,0,0,0,0|1,0,0]=2 2547 B15R1.826 CN(CCO)C(=O)CCc1ccccc1 240690a_100000210263_100000185753 [0,1,0,0,0,0|0,0,2]=3 2548 B15R1.826 CN(CCO)C(=O)CCc1ccccc1 527a_100000210263_100000185753 [0,1,0,0,0,0|0,0,2]=3 2549 B15R1.826 CN(CCO)C(=O)CCc1ccccn1 240690a_100000210263_100015195070 [0,1,0,0,0,0|1,0,2]=4 2550 B15R1.826 CN(CCO)C(=O)CCc1ccccn1 527a_100000210263_100015195070 [0,1,0,0,0,0|1,0,2]=4 2551 B15R1.826 CN(CCO)C(=O)CCc1cccnc1 240690a_100000210263_100000198484 [0,1,0,0,0,0|1,0,2]=4 2552 B15R1.826 CN(CCO)C(=O)CCc1cccnc1 527a_100000210263_100000198484 [0,1,0,0,0,0|1,0,2]=4 2553 B15R1.826 CN(CCO)C(=O)CCc1ccncc1 240690a_100000210263_100011225043 [0,1,0,0,0,0|1,0,2]=4 2554 B15R1.826 CN(CCO)C(=O)CCc1ccncc1 527a_100000210263_100011225043 [0,1,0,0,0,0|1,0,2]=4 2555 B15R1.826 CN(CCO)C(=O)COc1ccccc1 240690a_100000210263_100000186222 [0,1,0,0,0,0|1,0,1]=3 2556 B15R1.826 CN(CCO)C(=O)COc1ccccc1 527a_100000210263_100000186222 [0,1,0,0,0,0|1,0,1]=3 2557 B15R1.826 CN(CCO)C(=O)COc1ccccn1 240690a_100000210263_100102699861 [0,1,0,0,0,0|2,0,1]=4 2558 B15R1.826 CN(CCO)C(=O)COc1ccccn1 527a_100000210263_100102699861 [0,1,0,0,0,0|2,0,1]=4 2559 B15R1.826 CN(CCO)C(=O)COc1cccnc1 240690a_100000210263_100015207166 [0,1,0,0,0,0|2,0,1]=4 2560 B15R1.826 CN(CCO)C(=O)COc1cccnc1 527a_100000210263_100015207166 [0,1,0,0,0,0|2,0,1]=4 2561 B15R1.826 CN(CCO)C(=O)CSc1ccccc1 240690a_100000210263_100000211596 [0,1,0,0,0,0|1,0,1]=3 2562 B15R1.826 CN(CCO)C(=O)CSc1ccccc1 527a_100000210263_100000211596 [0,1,0,0,0,0|1,0,1]=3 2563 B15R1.826 CN(CCO)C(=O)CSc1ccccn1 240690a_100000210263_100000156281 [0,1,0,0,0,0|2,0,1]=4 2564 B15R1.826 CN(CCO)C(=O)CSc1ccccn1 527a_100000210263_100000156281 [0,1,0,0,0,0|2,0,1]=4 2565 B15R1.826 CN(CCO)C(=O)CSc1ccncc1 240690a_100000210263_100000211328 [0,1,0,0,0,0|2,0,1]=4 2566 B15R1.826 CN(CCO)C(=O)CSc1ccncc1 527a_100000210263_100000211328 [0,1,0,0,0,0|2,0,1]=4 2567 B15R1.826 CN(CCO)C(=O)NCc1ccccc1 2708a_100015324214_100000210263 [0,1,0,0,0,0|1,0,1]=3 2568 B15R1.826 CN(CCO)C(=O)NCc1ccccc1 273464a_100015324214_100000210263 [0,1,0,0,0,0|1,0,1]=3 2569 B15R1.826 CN(CCO)C(=O)NCc1ccccn1 2708a_100000210449_100000210263 [0,1,0,0,0,0|2,0,1]=4 2570 B15R1.826 CN(CCO)C(=O)NCc1ccccn1 273464a_100000210449_100000210263 [0,1,0,0,0,0|2,0,1]=4 2571 B15R1.826 CN(CCO)C(=O)NCc1cccnc1 2708a_100000210453_100000210263 [0,1,0,0,0,0|2,0,1]=4 2572 B15R1.826 CN(CCO)C(=O)NCc1cccnc1 273464a_100000210453_100000210263 [0,1,0,0,0,0|2,0,1]=4 2573 B15R1.826 CN(CCO)C(=O)NCc1ccncc1 2708a_100000210450_100000210263 [0,1,0,0,0,0|2,0,1]=4 2574 B15R1.826 CN(CCO)C(=O)NCc1ccncc1 273464a_100000210450_100000210263 [0,1,0,0,0,0|2,0,1]=4 2575 B15R1.826 COCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000765312 [0,1,0,0,0,0|3,0,0]=4 2576 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000753159 [0,1,0,0,0,0|2,0,1]=4 2577 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000753159 [0,1,0,0,0,0|2,0,1]=4 2578 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000753159 [0,1,0,0,0,0|2,0,1]=4 2579 B15R1.1208 C#CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000753159 [0,1,0,0,0,0|2,0,1]=4 2580 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Br 11a_100000212058_100000719032 [0,1,0,0,0,0|1,0,1]=3 2581 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Br 1626a_100000212058_100000719032 [0,1,0,0,0,0|1,0,1]=3 2582 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Br 240690a_100000212058_100000719032 [0,1,0,0,0,0|1,0,1]=3 2583 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1C 1626a_100000212058_100016266485 [0,1,0,0,0,0|1,0,1]=3 2584 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Cl 11a_100000212058_100000720304 [0,1,0,0,0,0|1,0,1]=3 2585 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Cl 1626a_100000212058_100000720304 [0,1,0,0,0,0|1,0,1]=3 2586 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1Cl 240690a_100000212058_100000720304 [0,1,0,0,0,0|1,0,1]=3 2587 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1F 11a_100000212058_100016256065 [0,1,0,0,0,0|1,0,1]=3 2588 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1F 1626a_100000212058_100016256065 [0,1,0,0,0,0|1,0,1]=3 2589 B15R1.1208 C#CCNC(=O)C=Cc1ccccc1F 240690a_100000212058_100016256065 [0,1,0,0,0,0|1,0,1]=3 2590 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000754431 [0,1,0,0,0,0|2,0,1]=4 2591 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000754431 [0,1,0,0,0,0|2,0,1]=4 2592 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000754431 [0,1,0,0,0,0|2,0,1]=4 2593 B15R1.1208 C=CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000754431 [0,1,0,0,0,0|2,0,1]=4 2594 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Br 1626a_100020586998_100000719032 [0,1,0,0,0,0|1,0,1]=3 2595 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Br 240690a_100020586998_100000719032 [0,1,0,0,0,0|1,0,1]=3 2596 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1C 1626a_100020586998_100016266485 [0,1,0,0,0,0|1,0,1]=3 2597 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Cl 1626a_100020586998_100000720304 [0,1,0,0,0,0|1,0,1]=3 2598 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1Cl 240690a_100020586998_100000720304 [0,1,0,0,0,0|1,0,1]=3 2599 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1F 1626a_100020586998_100016256065 [0,1,0,0,0,0|1,0,1]=3 2600 B15R1.1208 C=CCNC(=O)C=Cc1ccccc1F 240690a_100020586998_100016256065 [0,1,0,0,0,0|1,0,1]=3 2601 B15R1.1208 CCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210211 [0,1,0,0,0,0|2,0,0]=3 2602 B15R1.1208 CCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210211 [0,1,0,0,0,0|2,0,0]=3 2603 B15R1.1208 CCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210211 [0,1,0,0,0,0|2,0,0]=3 2604 B15R1.1208 CCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210211 [0,1,0,0,0,0|2,0,0]=3 2605 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br 11a_100020643023_100000719032 [0,1,0,0,0,0|1,0,0]=2 2606 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br 1626a_100020643023_100000719032 [0,1,0,0,0,0|1,0,0]=2 2607 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Br 240690a_100020643023_100000719032 [0,1,0,0,0,0|1,0,0]=2 2608 B15R1.1208 CCCNC(=O)C=Cc1ccccc1C 1626a_100020643023_100016266485 [0,1,0,0,0,0|1,0,0]=2 2609 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Cl 11a_100020643023_100000720304 [0,1,0,0,0,0|1,0,0]=2 2610 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Cl 1626a_100020643023_100000720304 [0,1,0,0,0,0|1,0,0]=2 2611 B15R1.1208 CCCNC(=O)C=Cc1ccccc1Cl 240690a_100020643023_100000720304 [0,1,0,0,0,0|1,0,0]=2 2612 B15R1.1208 CCCNC(=O)C=Cc1ccccc1F 11a_100020643023_100016256065 [0,1,0,0,0,0|1,0,0]=2 2613 B15R1.1208 CCCNC(=O)C=Cc1ccccc1F 1626a_100020643023_100016256065 [0,1,0,0,0,0|1,0,0]=2 2614 B15R1.1208 CCCNC(=O)C=Cc1ccccc1F 240690a_100020643023_100016256065 [0,1,0,0,0,0|1,0,0]=2 2615 B15R1.1208 CCCNC(=O)CCc1ccccc1Br 11a_100020643023_100000740810 [0,1,0,0,0,0|1,0,2]=4 2616 B15R1.1208 CCCNC(=O)CCc1ccccc1Br 1626a_100020643023_100000740810 [0,1,0,0,0,0|1,0,2]=4 2617 B15R1.1208 CCCNC(=O)CCc1ccccc1Br 240690a_100020643023_100000740810 [0,1,0,0,0,0|1,0,2]=4 2618 B15R1.1208 CCCNC(=O)CCc1ccccc1Br 527a_100020643023_100000740810 [0,1,0,0,0,0|1,0,2]=4 2619 B15R1.1208 CCCNC(=O)CCc1ccccc1C 11a_100020643023_100000748742 [0,1,0,0,0,0|1,0,2]=4 2620 B15R1.1208 CCCNC(=O)CCc1ccccc1C 1626a_100020643023_100000748742 [0,1,0,0,0,0|1,0,2]=4 2621 B15R1.1208 CCCNC(=O)CCc1ccccc1C 240690a_100020643023_100000748742 [0,1,0,0,0,0|1,0,2]=4 2622 B15R1.1208 CCCNC(=O)CCc1ccccc1C 527a_100020643023_100000748742 [0,1,0,0,0,0|1,0,2]=4 2623 B15R1.1208 CCCNC(=O)CCc1ccccc1Cl 11a_100020643023_100000184300 [0,1,0,0,0,0|1,0,2]=4 2624 B15R1.1208 CCCNC(=O)CCc1ccccc1Cl 1626a_100020643023_100000184300 [0,1,0,0,0,0|1,0,2]=4 2625 B15R1.1208 CCCNC(=O)CCc1ccccc1Cl 240690a_100020643023_100000184300 [0,1,0,0,0,0|1,0,2]=4 2626 B15R1.1208 CCCNC(=O)CCc1ccccc1Cl 527a_100020643023_100000184300 [0,1,0,0,0,0|1,0,2]=4 2627 B15R1.1208 CCCNC(=O)CCc1ccccc1F 11a_100020643023_100000189703 [0,1,0,0,0,0|1,0,2]=4 2628 B15R1.1208 CCCNC(=O)CCc1ccccc1F 1626a_100020643023_100000189703 [0,1,0,0,0,0|1,0,2]=4 2629 B15R1.1208 CCCNC(=O)CCc1ccccc1F 240690a_100020643023_100000189703 [0,1,0,0,0,0|1,0,2]=4 2630 B15R1.1208 CCCNC(=O)CCc1ccccc1F 527a_100020643023_100000189703 [0,1,0,0,0,0|1,0,2]=4 2631 B15R1.1208 CCCNC(=O)CCc1ccccc1I 11a_100020643023_100000037306 [0,1,0,0,0,0|1,0,2]=4 2632 B15R1.1208 CCCNC(=O)CCc1ccccc1I 1626a_100020643023_100000037306 [0,1,0,0,0,0|1,0,2]=4 2633 B15R1.1208 CCCNC(=O)CCc1ccccc1I 240690a_100020643023_100000037306 [0,1,0,0,0,0|1,0,2]=4 2634 B15R1.1208 CCCNC(=O)CCc1ccccc1I 527a_100020643023_100000037306 [0,1,0,0,0,0|1,0,2]=4 2635 B15R1.1208 CCCNC(=O)CCc1ccccc1O 11a_100020643023_100000181328 [0,1,0,0,0,0|1,0,2]=4 2636 B15R1.1208 CCCNC(=O)CCc1ccccc1O 240690a_100020643023_100000181328 [0,1,0,0,0,0|1,0,2]=4 2637 B15R1.1208 CCCNC(=O)CCc1ccccc1O 527a_100020643023_100000181328 [0,1,0,0,0,0|1,0,2]=4 2638 B15R1.1208 CCCNC(=O)CNc1ccccc1Br 34a_100000210017_100000183358 [0,1,0,0,0,0|2,0,1]=4 2639 B15R1.1208 CCCNC(=O)CNc1ccccc1C 34a_100015192222_100000183358 [0,1,0,0,0,0|2,0,1]=4 2640 B15R1.1208 CCCNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183358 [0,1,0,0,0,0|2,0,1]=4 2641 B15R1.1208 CCCNC(=O)CNc1ccccc1F 34a_100000210422_100000183358 [0,1,0,0,0,0|2,0,1]=4 2642 B15R1.1208 CCCNC(=O)CNc1ccccc1I 34a_100000210053_100000183358 [0,1,0,0,0,0|2,0,1]=4 2643 B15R1.1208 CCCNC(=O)CNc1ccccc1O 34a_100000185747_100000183358 [0,1,0,0,0,0|2,0,1]=4 2644 B15R1.1208 CCCNC(=O)COc1ccccc1Br 11a_100020643023_100000216496 [0,1,0,0,0,0|2,0,1]=4 2645 B15R1.1208 CCCNC(=O)COc1ccccc1Br 1626a_100020643023_100000216496 [0,1,0,0,0,0|2,0,1]=4 2646 B15R1.1208 CCCNC(=O)COc1ccccc1Br 240690a_100020643023_100000216496 [0,1,0,0,0,0|2,0,1]=4 2647 B15R1.1208 CCCNC(=O)COc1ccccc1Br 34a_100000181306_100000183358 [0,1,0,0,0,0|2,0,1]=4 2648 B15R1.1208 CCCNC(=O)COc1ccccc1Br 527a_100020643023_100000216496 [0,1,0,0,0,0|2,0,1]=4 2649 B15R1.1208 CCCNC(=O)COc1ccccc1Br 7a_100000181306_100000183358 [0,1,0,0,0,0|2,0,1]=4 2650 B15R1.1208 CCCNC(=O)COc1ccccc1C 11a_100020643023_100000182418 [0,1,0,0,0,0|2,0,1]=4 2651 B15R1.1208 CCCNC(=O)COc1ccccc1C 1626a_100020643023_100000182418 [0,1,0,0,0,0|2,0,1]=4 2652 B15R1.1208 CCCNC(=O)COc1ccccc1C 240690a_100020643023_100000182418 [0,1,0,0,0,0|2,0,1]=4 2653 B15R1.1208 CCCNC(=O)COc1ccccc1C 34a_100000210338_100000183358 [0,1,0,0,0,0|2,0,1]=4 2654 B15R1.1208 CCCNC(=O)COc1ccccc1C 527a_100020643023_100000182418 [0,1,0,0,0,0|2,0,1]=4 2655 B15R1.1208 CCCNC(=O)COc1ccccc1C 7a_100000210338_100000183358 [0,1,0,0,0,0|2,0,1]=4 2656 B15R1.1208 CCCNC(=O)COc1ccccc1Cl 11a_100020643023_100000185159 [0,1,0,0,0,0|2,0,1]=4 2657 B15R1.1208 CCCNC(=O)COc1ccccc1Cl 1626a_100020643023_100000185159 [0,1,0,0,0,0|2,0,1]=4 2658 B15R1.1208 CCCNC(=O)COc1ccccc1Cl 240690a_100020643023_100000185159 [0,1,0,0,0,0|2,0,1]=4 2659 B15R1.1208 CCCNC(=O)COc1ccccc1Cl 34a_100000210172_100000183358 [0,1,0,0,0,0|2,0,1]=4 2660 B15R1.1208 CCCNC(=O)COc1ccccc1Cl 527a_100020643023_100000185159 [0,1,0,0,0,0|2,0,1]=4 2661 B15R1.1208 CCCNC(=O)COc1ccccc1Cl 7a_100000210172_100000183358 [0,1,0,0,0,0|2,0,1]=4 2662 B15R1.1208 CCCNC(=O)COc1ccccc1F 11a_100020643023_100000182486 [0,1,0,0,0,0|2,0,1]=4 2663 B15R1.1208 CCCNC(=O)COc1ccccc1F 1626a_100020643023_100000182486 [0,1,0,0,0,0|2,0,1]=4 2664 B15R1.1208 CCCNC(=O)COc1ccccc1F 240690a_100020643023_100000182486 [0,1,0,0,0,0|2,0,1]=4 2665 B15R1.1208 CCCNC(=O)COc1ccccc1F 34a_100000210171_100000183358 [0,1,0,0,0,0|2,0,1]=4 2666 B15R1.1208 CCCNC(=O)COc1ccccc1F 527a_100020643023_100000182486 [0,1,0,0,0,0|2,0,1]=4 2667 B15R1.1208 CCCNC(=O)COc1ccccc1F 7a_100000210171_100000183358 [0,1,0,0,0,0|2,0,1]=4 2668 B15R1.1208 CCCNC(=O)COc1ccccc1I 34a_100000739446_100000183358 [0,1,0,0,0,0|2,0,1]=4 2669 B15R1.1208 CCCNC(=O)COc1ccccc1I 7a_100000739446_100000183358 [0,1,0,0,0,0|2,0,1]=4 2670 B15R1.1208 CCCNC(=O)COc1ccccc1N 34a_100000185747_100000183358 [0,1,0,0,0,0|2,0,1]=4 2671 B15R1.1208 CCCNC(=O)COc1ccccc1N 7a_100000185747_100000183358 [0,1,0,0,0,0|2,0,1]=4 2672 B15R1.1208 CCCNC(=O)COc1ccccc1O 240690a_100020643023_100000183020 [0,1,0,0,0,0|2,0,1]=4 2673 B15R1.1208 CCCNC(=O)COc1ccccc1O 527a_100020643023_100000183020 [0,1,0,0,0,0|2,0,1]=4 2674 B15R1.1208 CCCNC(=O)CSc1ccccc1Br 62a_100000183358_100000695589 [0,1,0,0,0,0|2,0,1]=4 2675 B15R1.1208 CCCNC(=O)CSc1ccccc1Br 62a_100000695589_100000183358 [0,1,0,0,0,0|2,0,1]=4 2676 B15R1.1208 CCCNC(=O)CSc1ccccc1C 11a_100020643023_100000183026 [0,1,0,0,0,0|2,0,1]=4 2677 B15R1.1208 CCCNC(=O)CSc1ccccc1C 1626a_100020643023_100000183026 [0,1,0,0,0,0|2,0,1]=4 2678 B15R1.1208 CCCNC(=O)CSc1ccccc1C 240690a_100020643023_100000183026 [0,1,0,0,0,0|2,0,1]=4 2679 B15R1.1208 CCCNC(=O)CSc1ccccc1C 527a_100020643023_100000183026 [0,1,0,0,0,0|2,0,1]=4 2680 B15R1.1208 CCCNC(=O)CSc1ccccc1C 62a_100000183358_100000210755 [0,1,0,0,0,0|2,0,1]=4 2681 B15R1.1208 CCCNC(=O)CSc1ccccc1C 62a_100000210755_100000183358 [0,1,0,0,0,0|2,0,1]=4 2682 B15R1.1208 CCCNC(=O)CSc1ccccc1Cl 62a_100000183358_100000764095 [0,1,0,0,0,0|2,0,1]=4 2683 B15R1.1208 CCCNC(=O)CSc1ccccc1Cl 62a_100000764095_100000183358 [0,1,0,0,0,0|2,0,1]=4 2684 B15R1.1208 CCCNC(=O)CSc1ccccc1F 11a_100020643023_100000179528 [0,1,0,0,0,0|2,0,1]=4 2685 B15R1.1208 CCCNC(=O)CSc1ccccc1F 1626a_100020643023_100000179528 [0,1,0,0,0,0|2,0,1]=4 2686 B15R1.1208 CCCNC(=O)CSc1ccccc1F 240690a_100020643023_100000179528 [0,1,0,0,0,0|2,0,1]=4 2687 B15R1.1208 CCCNC(=O)CSc1ccccc1F 62a_100000183358_100011215700 [0,1,0,0,0,0|2,0,1]=4 2688 B15R1.1208 CCCNC(=O)CSc1ccccc1F 62a_100011215700_100000183358 [0,1,0,0,0,0|2,0,1]=4 2689 B15R1.1208 CCCNC(=O)CSc1ccccc1N 62a_100000183358_100000210017 [0,1,0,0,0,0|2,0,1]=4 2690 B15R1.1208 CCCNC(=O)CSc1ccccc1N 62a_100000210017_100000183358 [0,1,0,0,0,0|2,0,1]=4 2691 B15R1.1208 CCCNC(=O)CSc1ccccc1O 240690a_100020643023_100000695322 [0,1,0,0,0,0|2,0,1]=4 2692 B15R1.1208 CCCNC(=O)CSc1ccccc1O 527a_100020643023_100000695322 [0,1,0,0,0,0|2,0,1]=4 2693 B15R1.1208 CCCNC(=O)CSc1ccccc1O 62a_100000183358_100000739446 [0,1,0,0,0,0|2,0,1]=4 2694 B15R1.1208 CCCNC(=O)CSc1ccccc1O 62a_100000739446_100000183358 [0,1,0,0,0,0|2,0,1]=4 2695 B15R1.1208 CCCNC(=O)NCc1ccccc1Br 2708a_100000689332_100020643023 [0,1,0,0,0,0|2,0,1]=4 2696 B15R1.1208 CCCNC(=O)NCc1ccccc1Br 2708a_100020643023_100000689332 [0,1,0,0,0,0|2,0,1]=4 2697 B15R1.1208 CCCNC(=O)NCc1ccccc1Br 273464a_100000689332_100020643023 [0,1,0,0,0,0|2,0,1]=4 2698 B15R1.1208 CCCNC(=O)NCc1ccccc1Br 273464a_100020643023_100000689332 [0,1,0,0,0,0|2,0,1]=4 2699 B15R1.1208 CCCNC(=O)NCc1ccccc1Br 512a_100000689332_100020643023 [0,1,0,0,0,0|2,0,1]=4 2700 B15R1.1208 CCCNC(=O)NCc1ccccc1Br 512a_100020643023_100000689332 [0,1,0,0,0,0|2,0,1]=4 2701 B15R1.1208 CCCNC(=O)NCc1ccccc1C 2708a_100000174972_100020643023 [0,1,0,0,0,0|2,0,1]=4 2702 B15R1.1208 CCCNC(=O)NCc1ccccc1C 2708a_100020643023_100000174972 [0,1,0,0,0,0|2,0,1]=4 2703 B15R1.1208 CCCNC(=O)NCc1ccccc1C 273464a_100000174972_100020643023 [0,1,0,0,0,0|2,0,1]=4 2704 B15R1.1208 CCCNC(=O)NCc1ccccc1C 273464a_100020643023_100000174972 [0,1,0,0,0,0|2,0,1]=4 2705 B15R1.1208 CCCNC(=O)NCc1ccccc1C 512a_100000174972_100020643023 [0,1,0,0,0,0|2,0,1]=4 2706 B15R1.1208 CCCNC(=O)NCc1ccccc1C 512a_100020643023_100000174972 [0,1,0,0,0,0|2,0,1]=4 2707 B15R1.1208 CCCNC(=O)NCc1ccccc1Cl 2708a_100000174879_100020643023 [0,1,0,0,0,0|2,0,1]=4 2708 B15R1.1208 CCCNC(=O)NCc1ccccc1Cl 2708a_100020643023_100000174879 [0,1,0,0,0,0|2,0,1]=4 2709 B15R1.1208 CCCNC(=O)NCc1ccccc1Cl 273464a_100000174879_100020643023 [0,1,0,0,0,0|2,0,1]=4 2710 B15R1.1208 CCCNC(=O)NCc1ccccc1Cl 273464a_100020643023_100000174879 [0,1,0,0,0,0|2,0,1]=4 2711 B15R1.1208 CCCNC(=O)NCc1ccccc1Cl 512a_100020643023_100000174879 [0,1,0,0,0,0|2,0,1]=4 2712 B15R1.1208 CCCNC(=O)NCc1ccccc1F 2708a_100000174869_100020643023 [0,1,0,0,0,0|2,0,1]=4 2713 B15R1.1208 CCCNC(=O)NCc1ccccc1F 2708a_100020643023_100000174869 [0,1,0,0,0,0|2,0,1]=4 2714 B15R1.1208 CCCNC(=O)NCc1ccccc1F 273464a_100000174869_100020643023 [0,1,0,0,0,0|2,0,1]=4 2715 B15R1.1208 CCCNC(=O)NCc1ccccc1F 273464a_100020643023_100000174869 [0,1,0,0,0,0|2,0,1]=4 2716 B15R1.1208 CCCNC(=O)NCc1ccccc1F 512a_100000174869_100020643023 [0,1,0,0,0,0|2,0,1]=4 2717 B15R1.1208 CCCNC(=O)NCc1ccccc1F 512a_100020643023_100000174869 [0,1,0,0,0,0|2,0,1]=4 2718 B15R1.1208 CCCNC(=O)NCc1ccccc1I 2708a_100015347259_100020643023 [0,1,0,0,0,0|2,0,1]=4 2719 B15R1.1208 CCCNC(=O)NCc1ccccc1I 2708a_100020643023_100015347259 [0,1,0,0,0,0|2,0,1]=4 2720 B15R1.1208 CCCNC(=O)NCc1ccccc1I 273464a_100015347259_100020643023 [0,1,0,0,0,0|2,0,1]=4 2721 B15R1.1208 CCCNC(=O)NCc1ccccc1I 273464a_100020643023_100015347259 [0,1,0,0,0,0|2,0,1]=4 2722 B15R1.1208 CCCNC(=O)NCc1ccccc1I 512a_100015347259_100020643023 [0,1,0,0,0,0|2,0,1]=4 2723 B15R1.1208 CCCNC(=O)NCc1ccccc1I 512a_100020643023_100015347259 [0,1,0,0,0,0|2,0,1]=4 2724 B15R1.1208 CCCNC(=O)NCc1ccccc1O 2708a_100000185550_100020643023 [0,1,0,0,0,0|2,0,1]=4 2725 B15R1.1208 CCCNC(=O)NCc1ccccc1O 2708a_100020643023_100000185550 [0,1,0,0,0,0|2,0,1]=4 2726 B15R1.1208 CCCNC(=O)NCc1ccccc1O 273464a_100000185550_100020643023 [0,1,0,0,0,0|2,0,1]=4 2727 B15R1.1208 CCCNC(=O)NCc1ccccc1O 273464a_100020643023_100000185550 [0,1,0,0,0,0|2,0,1]=4 2728 B15R1.1208 CCCNC(=O)NCc1ccccc1O 512a_100000185550_100020643023 [0,1,0,0,0,0|2,0,1]=4 2729 B15R1.1208 CCCNC(=O)NNc1ccccc1Br 273464a_100020643023_100000241748 [0,1,0,0,0,0|3,0,0]=4 2730 B15R1.1208 CCCNC(=O)NNc1ccccc1Br 512a_100020643023_100000241748 [0,1,0,0,0,0|3,0,0]=4 2731 B15R1.1208 CCCNC(=O)NNc1ccccc1C 273464a_100020643023_100000184220 [0,1,0,0,0,0|3,0,0]=4 2732 B15R1.1208 CCCNC(=O)NNc1ccccc1C 512a_100020643023_100000184220 [0,1,0,0,0,0|3,0,0]=4 2733 B15R1.1208 CCCNC(=O)NNc1ccccc1Cl 273464a_100020643023_100000683529 [0,1,0,0,0,0|3,0,0]=4 2734 B15R1.1208 CCCNC(=O)NNc1ccccc1Cl 512a_100020643023_100000683529 [0,1,0,0,0,0|3,0,0]=4 2735 B15R1.1208 CCCNC(=O)NNc1ccccc1F 273464a_100020643023_100000239246 [0,1,0,0,0,0|3,0,0]=4 2736 B15R1.1208 CCCNC(=O)NNc1ccccc1F 512a_100020643023_100000239246 [0,1,0,0,0,0|3,0,0]=4 2737 B15R1.1208 CCCNC(=O)NNc1ccccc1I 273464a_100020643023_100011218156 [0,1,0,0,0,0|3,0,0]=4 2738 B15R1.1208 CCCNC(=O)NNc1ccccc1I 512a_100020643023_100011218156 [0,1,0,0,0,0|3,0,0]=4 2739 B15R1.1208 CCNNC(=O)C=Cc1ccccc1Br 22a_100000756455_100000719032 [0,1,0,0,0,0|2,0,0]=3 2740 B15R1.1208 CCNNC(=O)C=Cc1ccccc1C 22a_100000756455_100016266485 [0,1,0,0,0,0|2,0,0]=3 2741 B15R1.1208 CCNNC(=O)C=Cc1ccccc1Cl 22a_100000756455_100000720304 [0,1,0,0,0,0|2,0,0]=3 2742 B15R1.1208 CCNNC(=O)C=Cc1ccccc1F 22a_100000756455_100016256065 [0,1,0,0,0,0|2,0,0]=3 2743 B15R1.1208 CCNNC(=O)C=Cc1ccccc1O 22a_100000756455_100016263591 [0,1,0,0,0,0|2,0,0]=3 2744 B15R1.1208 COCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000233755 [0,1,0,0,0,0|3,0,0]=4 2745 B15R1.1208 COCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000233755 [0,1,0,0,0,0|3,0,0]=4 2746 B15R1.1208 COCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000233755 [0,1,0,0,0,0|3,0,0]=4 2747 B15R1.1208 COCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000233755 [0,1,0,0,0,0|3,0,0]=4 2748 B15R1.1208 CSCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000751147 [0,1,0,0,0,0|3,0,0]=4 2749 B15R1.1208 CSCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000751147 [0,1,0,0,0,0|3,0,0]=4 2750 B15R1.1208 CSCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000751147 [0,1,0,0,0,0|3,0,0]=4 2751 B15R1.1208 CSCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000751147 [0,1,0,0,0,0|3,0,0]=4 2752 B15R1.1208 Cc1ccccc1C=CC(=O)NCC#N 1626a_100000734998_100016266485 [0,1,0,0,0,0|1,0,1]=3 2753 B15R1.1208 Cc1ccccc1C=CC(=O)NCCF 1626a_100000724931_100016266485 [0,1,0,0,0,0|1,0,0]=2 2754 B15R1.1208 Cc1ccccc1CCC(=O)CCCO 1458a_100000748742_100011215043 [0,1,0,0,0,0|1,0,2]=4 2755 B15R1.1208 Cc1ccccc1CCC(=O)NCCF 11a_100000724931_100000748742 [0,1,0,0,0,0|1,0,2]=4 2756 B15R1.1208 Cc1ccccc1CCC(=O)NCCF 1626a_100000724931_100000748742 [0,1,0,0,0,0|1,0,2]=4 2757 B15R1.1208 Cc1ccccc1CCC(=O)NCCF 240690a_100000724931_100000748742 [0,1,0,0,0,0|1,0,2]=4 2758 B15R1.1208 Cc1ccccc1CCC(=O)NCCF 527a_100000724931_100000748742 [0,1,0,0,0,0|1,0,2]=4 2759 B15R1.1208 Cc1ccccc1CCC(=O)NCCO 240690a_100000210304_100000748742 [0,1,0,0,0,0|0,0,2]=3 2760 B15R1.1208 Cc1ccccc1CCC(=O)NCCO 527a_100000210304_100000748742 [0,1,0,0,0,0|0,0,2]=3 2761 B15R1.1208 Cc1ccccc1CNC(=O)NCCF 2708a_100000174972_100000724931 [0,1,0,0,0,0|2,0,1]=4 2762 B15R1.1208 Cc1ccccc1CNC(=O)NCCF 273464a_100000174972_100000724931 [0,1,0,0,0,0|2,0,1]=4 2763 B15R1.1208 Cc1ccccc1CNC(=O)NCCF 273464a_100000724931_100000174972 [0,1,0,0,0,0|2,0,1]=4 2764 B15R1.1208 Cc1ccccc1CNC(=O)NCCF 512a_100000174972_100000724931 [0,1,0,0,0,0|2,0,1]=4 2765 B15R1.1208 Cc1ccccc1CNC(=O)NCCO 2708a_100000174972_100000210304 [0,1,0,0,0,0|1,0,1]=3 2766 B15R1.1208 Cc1ccccc1CNC(=O)NCCO 273464a_100000174972_100000210304 [0,1,0,0,0,0|1,0,1]=3 2767 B15R1.1208 Cc1ccccc1CNC(=O)NCCO 273464a_100000210304_100000174972 [0,1,0,0,0,0|1,0,1]=3 2768 B15R1.1208 Cc1ccccc1CNC(=O)NCCO 512a_100000174972_100000210304 [0,1,0,0,0,0|1,0,1]=3 2769 B15R1.1208 Cc1ccccc1NNC(=O)NCCF 273464a_100000724931_100000184220 [0,1,0,0,0,0|3,0,0]=4 2770 B15R1.1208 Cc1ccccc1NNC(=O)NCCO 273464a_100000210304_100000184220 [0,1,0,0,0,0|2,0,0]=3 2771 B15R1.1208 Cc1ccccc1OCC(=O)CCCO 1458a_100000182418_100011215043 [0,1,0,0,0,0|2,0,1]=4 2772 B15R1.1208 Cc1ccccc1OCC(=O)NCCF 11a_100000724931_100000182418 [0,1,0,0,0,0|2,0,1]=4 2773 B15R1.1208 Cc1ccccc1OCC(=O)NCCF 1626a_100000724931_100000182418 [0,1,0,0,0,0|2,0,1]=4 2774 B15R1.1208 Cc1ccccc1OCC(=O)NCCF 240690a_100000724931_100000182418 [0,1,0,0,0,0|2,0,1]=4 2775 B15R1.1208 Cc1ccccc1OCC(=O)NCCF 527a_100000724931_100000182418 [0,1,0,0,0,0|2,0,1]=4 2776 B15R1.1208 Cc1ccccc1OCC(=O)NCCO 240690a_100000210304_100000182418 [0,1,0,0,0,0|1,0,1]=3 2777 B15R1.1208 Cc1ccccc1OCC(=O)NCCO 527a_100000210304_100000182418 [0,1,0,0,0,0|1,0,1]=3 2778 B15R1.1208 Cc1ccccc1SCC(=O)CCCO 1458a_100000183026_100011215043 [0,1,0,0,0,0|2,0,1]=4 2779 B15R1.1208 Cc1ccccc1SCC(=O)NCCF 11a_100000724931_100000183026 [0,1,0,0,0,0|2,0,1]=4 2780 B15R1.1208 Cc1ccccc1SCC(=O)NCCF 1626a_100000724931_100000183026 [0,1,0,0,0,0|2,0,1]=4 2781 B15R1.1208 Cc1ccccc1SCC(=O)NCCF 240690a_100000724931_100000183026 [0,1,0,0,0,0|2,0,1]=4 2782 B15R1.1208 Cc1ccccc1SCC(=O)NCCF 527a_100000724931_100000183026 [0,1,0,0,0,0|2,0,1]=4 2783 B15R1.1208 Cc1ccccc1SCC(=O)NCCO 240690a_100000210304_100000183026 [0,1,0,0,0,0|1,0,1]=3 2784 B15R1.1208 Cc1ccccc1SCC(=O)NCCO 527a_100000210304_100000183026 [0,1,0,0,0,0|1,0,1]=3 2785 B15R1.1208 Cc1cccnc1CNC(=O)NCCO 2708a_100011223789_100000210304 [0,1,0,0,0,0|2,0,1]=4 2786 B15R1.1208 Cc1cccnc1CNC(=O)NCCO 273464a_100000210304_100011223789 [0,1,0,0,0,0|2,0,1]=4 2787 B15R1.1208 Cc1cccnc1CNC(=O)NCCO 273464a_100011223789_100000210304 [0,1,0,0,0,0|2,0,1]=4 2788 B15R1.1208 Cc1cccnc1CNC(=O)NCCO 512a_100011223789_100000210304 [0,1,0,0,0,0|2,0,1]=4 2789 B15R1.1208 Cc1cccnc1NNC(=O)NCCO 273464a_100000210304_100000708268 [0,1,0,0,0,0|3,0,0]=4 2790 B15R1.1208 Cc1ccncc1CNC(=O)NCCO 2708a_100011997553_100000210304 [0,1,0,0,0,0|2,0,1]=4 2791 B15R1.1208 Cc1ccncc1CNC(=O)NCCO 273464a_100000210304_100011997553 [0,1,0,0,0,0|2,0,1]=4 2792 B15R1.1208 Cc1ccncc1CNC(=O)NCCO 273464a_100011997553_100000210304 [0,1,0,0,0,0|2,0,1]=4 2793 B15R1.1208 Cc1ccncc1CNC(=O)NCCO 512a_100011997553_100000210304 [0,1,0,0,0,0|2,0,1]=4 2794 B15R1.1208 Cc1cnccc1CNC(=O)NCCO 2708a_100000708811_100000210304 [0,1,0,0,0,0|2,0,1]=4 2795 B15R1.1208 Cc1cnccc1CNC(=O)NCCO 273464a_100000210304_100000708811 [0,1,0,0,0,0|2,0,1]=4 2796 B15R1.1208 Cc1cnccc1CNC(=O)NCCO 273464a_100000708811_100000210304 [0,1,0,0,0,0|2,0,1]=4 2797 B15R1.1208 Cc1cnccc1CNC(=O)NCCO 512a_100000708811_100000210304 [0,1,0,0,0,0|2,0,1]=4 2798 B15R1.1208 Cc1cnccc1NNC(=O)NCCO 273464a_100000210304_100011935204 [0,1,0,0,0,0|3,0,0]=4 2799 B15R1.1208 Cc1ncccc1NNC(=O)NCCO 273464a_100000210304_100000730703 [0,1,0,0,0,0|3,0,0]=4 2800 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011215226 [0,1,0,0,0,0|2,0,1]=4 2801 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011215226 [0,1,0,0,0,0|2,0,1]=4 2802 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011215226 [0,1,0,0,0,0|2,0,1]=4 2803 B15R1.1208 N#CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011215226 [0,1,0,0,0,0|2,0,1]=4 2804 B15R1.1208 N#CCNC(=O)C=Cc1ccccc1Br 1626a_100000734998_100000719032 [0,1,0,0,0,0|1,0,1]=3 2805 B15R1.1208 N#CCNC(=O)C=Cc1ccccc1Cl 1626a_100000734998_100000720304 [0,1,0,0,0,0|1,0,1]=3 2806 B15R1.1208 N#CCNC(=O)C=Cc1ccccc1F 1626a_100000734998_100016256065 [0,1,0,0,0,0|1,0,1]=3 2807 B15R1.1208 O=C(C#Cc1ccccc1F)CCCO 1458a_100011892747_100011215043 [0,1,0,0,0,0|1,0,2]=4 2808 B15R1.1208 O=C(C=Cc1ccccc1Br)CCCF 1458a_100000719032_100011934791 [0,1,0,0,0,0|2,0,0]=3 2809 B15R1.1208 O=C(C=Cc1ccccc1Br)CCCO 1458a_100000719032_100011215043 [0,1,0,0,0,0|1,0,0]=2 2810 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF 11a_100000724931_100000719032 [0,1,0,0,0,0|1,0,0]=2 2811 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF 1626a_100000724931_100000719032 [0,1,0,0,0,0|1,0,0]=2 2812 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCF 240690a_100000724931_100000719032 [0,1,0,0,0,0|1,0,0]=2 2813 B15R1.1208 O=C(C=Cc1ccccc1Br)NCCO 240690a_100000210304_100000719032 [0,1,0,0,0,0|0,0,0]=1 2814 B15R1.1208 O=C(C=Cc1ccccc1Cl)CCCF 1458a_100000720304_100011934791 [0,1,0,0,0,0|2,0,0]=3 2815 B15R1.1208 O=C(C=Cc1ccccc1Cl)CCCO 1458a_100000720304_100011215043 [0,1,0,0,0,0|1,0,0]=2 2816 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCF 11a_100000724931_100000720304 [0,1,0,0,0,0|1,0,0]=2 2817 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCF 1626a_100000724931_100000720304 [0,1,0,0,0,0|1,0,0]=2 2818 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCF 240690a_100000724931_100000720304 [0,1,0,0,0,0|1,0,0]=2 2819 B15R1.1208 O=C(C=Cc1ccccc1Cl)NCCO 240690a_100000210304_100000720304 [0,1,0,0,0,0|0,0,0]=1 2820 B15R1.1208 O=C(C=Cc1ccccc1F)CCCF 1458a_100016256065_100011934791 [0,1,0,0,0,0|2,0,0]=3 2821 B15R1.1208 O=C(C=Cc1ccccc1F)CCCO 1458a_100016256065_100011215043 [0,1,0,0,0,0|1,0,0]=2 2822 B15R1.1208 O=C(C=Cc1ccccc1F)NCCF 11a_100000724931_100016256065 [0,1,0,0,0,0|1,0,0]=2 2823 B15R1.1208 O=C(C=Cc1ccccc1F)NCCF 1626a_100000724931_100016256065 [0,1,0,0,0,0|1,0,0]=2 2824 B15R1.1208 O=C(C=Cc1ccccc1F)NCCF 240690a_100000724931_100016256065 [0,1,0,0,0,0|1,0,0]=2 2825 B15R1.1208 O=C(C=Cc1ccccc1F)NCCO 240690a_100000210304_100016256065 [0,1,0,0,0,0|0,0,0]=1 2826 B15R1.1208 O=C(C=Cc1ccccc1O)CCCF 1458a_100016263591_100011934791 [0,1,0,0,0,0|2,0,0]=3 2827 B15R1.1208 O=C(C=Cc1ccccc1O)CCCO 1458a_100016263591_100011215043 [0,1,0,0,0,0|1,0,0]=2 2828 B15R1.1208 O=C(CCCO)CCc1ccccc1Br 1458a_100000740810_100011215043 [0,1,0,0,0,0|1,0,2]=4 2829 B15R1.1208 O=C(CCCO)CCc1ccccc1Cl 1458a_100000184300_100011215043 [0,1,0,0,0,0|1,0,2]=4 2830 B15R1.1208 O=C(CCCO)CCc1ccccc1F 1458a_100000189703_100011215043 [0,1,0,0,0,0|1,0,2]=4 2831 B15R1.1208 O=C(CCCO)CCc1ccccc1I 1458a_100000037306_100011215043 [0,1,0,0,0,0|1,0,2]=4 2832 B15R1.1208 O=C(CCCO)CCc1ccccc1O 1458a_100000181328_100011215043 [0,1,0,0,0,0|1,0,2]=4 2833 B15R1.1208 O=C(CCCO)COc1ccccc1Br 1458a_100000216496_100011215043 [0,1,0,0,0,0|2,0,1]=4 2834 B15R1.1208 O=C(CCCO)COc1ccccc1Cl 1458a_100000185159_100011215043 [0,1,0,0,0,0|2,0,1]=4 2835 B15R1.1208 O=C(CCCO)COc1ccccc1F 1458a_100000182486_100011215043 [0,1,0,0,0,0|2,0,1]=4 2836 B15R1.1208 O=C(CCCO)COc1ccccc1O 1458a_100000183020_100011215043 [0,1,0,0,0,0|2,0,1]=4 2837 B15R1.1208 O=C(CCCO)CSc1ccccc1F 1458a_100000179528_100011215043 [0,1,0,0,0,0|2,0,1]=4 2838 B15R1.1208 O=C(CCCO)CSc1ccccc1O 1458a_100000695322_100011215043 [0,1,0,0,0,0|2,0,1]=4 2839 B15R1.1208 O=C(CCc1ccccc1Br)NCCF 11a_100000724931_100000740810 [0,1,0,0,0,0|1,0,2]=4 2840 B15R1.1208 O=C(CCc1ccccc1Br)NCCF 1626a_100000724931_100000740810 [0,1,0,0,0,0|1,0,2]=4 2841 B15R1.1208 O=C(CCc1ccccc1Br)NCCF 240690a_100000724931_100000740810 [0,1,0,0,0,0|1,0,2]=4 2842 B15R1.1208 O=C(CCc1ccccc1Br)NCCF 527a_100000724931_100000740810 [0,1,0,0,0,0|1,0,2]=4 2843 B15R1.1208 O=C(CCc1ccccc1Br)NCCO 240690a_100000210304_100000740810 [0,1,0,0,0,0|0,0,2]=3 2844 B15R1.1208 O=C(CCc1ccccc1Br)NCCO 527a_100000210304_100000740810 [0,1,0,0,0,0|0,0,2]=3 2845 B15R1.1208 O=C(CCc1ccccc1Cl)NCCF 11a_100000724931_100000184300 [0,1,0,0,0,0|1,0,2]=4 2846 B15R1.1208 O=C(CCc1ccccc1Cl)NCCF 1626a_100000724931_100000184300 [0,1,0,0,0,0|1,0,2]=4 2847 B15R1.1208 O=C(CCc1ccccc1Cl)NCCF 240690a_100000724931_100000184300 [0,1,0,0,0,0|1,0,2]=4 2848 B15R1.1208 O=C(CCc1ccccc1Cl)NCCF 527a_100000724931_100000184300 [0,1,0,0,0,0|1,0,2]=4 2849 B15R1.1208 O=C(CCc1ccccc1Cl)NCCO 240690a_100000210304_100000184300 [0,1,0,0,0,0|0,0,2]=3 2850 B15R1.1208 O=C(CCc1ccccc1Cl)NCCO 527a_100000210304_100000184300 [0,1,0,0,0,0|0,0,2]=3 2851 B15R1.1208 O=C(CCc1ccccc1F)NCCF 11a_100000724931_100000189703 [0,1,0,0,0,0|1,0,2]=4 2852 B15R1.1208 O=C(CCc1ccccc1F)NCCF 1626a_100000724931_100000189703 [0,1,0,0,0,0|1,0,2]=4 2853 B15R1.1208 O=C(CCc1ccccc1F)NCCF 240690a_100000724931_100000189703 [0,1,0,0,0,0|1,0,2]=4 2854 B15R1.1208 O=C(CCc1ccccc1F)NCCF 527a_100000724931_100000189703 [0,1,0,0,0,0|1,0,2]=4 2855 B15R1.1208 O=C(CCc1ccccc1F)NCCO 240690a_100000210304_100000189703 [0,1,0,0,0,0|0,0,2]=3 2856 B15R1.1208 O=C(CCc1ccccc1F)NCCO 527a_100000210304_100000189703 [0,1,0,0,0,0|0,0,2]=3 2857 B15R1.1208 O=C(CCc1ccccc1I)NCCF 11a_100000724931_100000037306 [0,1,0,0,0,0|1,0,2]=4 2858 B15R1.1208 O=C(CCc1ccccc1I)NCCF 1626a_100000724931_100000037306 [0,1,0,0,0,0|1,0,2]=4 2859 B15R1.1208 O=C(CCc1ccccc1I)NCCF 240690a_100000724931_100000037306 [0,1,0,0,0,0|1,0,2]=4 2860 B15R1.1208 O=C(CCc1ccccc1I)NCCF 527a_100000724931_100000037306 [0,1,0,0,0,0|1,0,2]=4 2861 B15R1.1208 O=C(CCc1ccccc1I)NCCO 240690a_100000210304_100000037306 [0,1,0,0,0,0|0,0,2]=3 2862 B15R1.1208 O=C(CCc1ccccc1I)NCCO 527a_100000210304_100000037306 [0,1,0,0,0,0|0,0,2]=3 2863 B15R1.1208 O=C(CCc1ccccc1O)NCCF 11a_100000724931_100000181328 [0,1,0,0,0,0|1,0,2]=4 2864 B15R1.1208 O=C(CCc1ccccc1O)NCCF 240690a_100000724931_100000181328 [0,1,0,0,0,0|1,0,2]=4 2865 B15R1.1208 O=C(CCc1ccccc1O)NCCF 527a_100000724931_100000181328 [0,1,0,0,0,0|1,0,2]=4 2866 B15R1.1208 O=C(CCc1ccccc1O)NCCO 240690a_100000210304_100000181328 [0,1,0,0,0,0|0,0,2]=3 2867 B15R1.1208 O=C(CCc1ccccc1O)NCCO 527a_100000210304_100000181328 [0,1,0,0,0,0|0,0,2]=3 2868 B15R1.1208 O=C(CCn1ccccc1=O)NCCO 240690a_100000210304_100000738505 [0,1,0,0,0,0|1,0,2]=4 2869 B15R1.1208 O=C(CCn1ccccc1=O)NCCO 527a_100000210304_100000738505 [0,1,0,0,0,0|1,0,2]=4 2870 B15R1.1208 O=C(COc1ccccc1Br)NCCF 11a_100000724931_100000216496 [0,1,0,0,0,0|2,0,1]=4 2871 B15R1.1208 O=C(COc1ccccc1Br)NCCF 1626a_100000724931_100000216496 [0,1,0,0,0,0|2,0,1]=4 2872 B15R1.1208 O=C(COc1ccccc1Br)NCCF 240690a_100000724931_100000216496 [0,1,0,0,0,0|2,0,1]=4 2873 B15R1.1208 O=C(COc1ccccc1Br)NCCF 527a_100000724931_100000216496 [0,1,0,0,0,0|2,0,1]=4 2874 B15R1.1208 O=C(COc1ccccc1Br)NCCO 240690a_100000210304_100000216496 [0,1,0,0,0,0|1,0,1]=3 2875 B15R1.1208 O=C(COc1ccccc1Br)NCCO 527a_100000210304_100000216496 [0,1,0,0,0,0|1,0,1]=3 2876 B15R1.1208 O=C(COc1ccccc1Cl)NCCF 11a_100000724931_100000185159 [0,1,0,0,0,0|2,0,1]=4 2877 B15R1.1208 O=C(COc1ccccc1Cl)NCCF 1626a_100000724931_100000185159 [0,1,0,0,0,0|2,0,1]=4 2878 B15R1.1208 O=C(COc1ccccc1Cl)NCCF 240690a_100000724931_100000185159 [0,1,0,0,0,0|2,0,1]=4 2879 B15R1.1208 O=C(COc1ccccc1Cl)NCCF 527a_100000724931_100000185159 [0,1,0,0,0,0|2,0,1]=4 2880 B15R1.1208 O=C(COc1ccccc1Cl)NCCO 240690a_100000210304_100000185159 [0,1,0,0,0,0|1,0,1]=3 2881 B15R1.1208 O=C(COc1ccccc1Cl)NCCO 527a_100000210304_100000185159 [0,1,0,0,0,0|1,0,1]=3 2882 B15R1.1208 O=C(COc1ccccc1F)NCCF 11a_100000724931_100000182486 [0,1,0,0,0,0|2,0,1]=4 2883 B15R1.1208 O=C(COc1ccccc1F)NCCF 1626a_100000724931_100000182486 [0,1,0,0,0,0|2,0,1]=4 2884 B15R1.1208 O=C(COc1ccccc1F)NCCF 240690a_100000724931_100000182486 [0,1,0,0,0,0|2,0,1]=4 2885 B15R1.1208 O=C(COc1ccccc1F)NCCF 527a_100000724931_100000182486 [0,1,0,0,0,0|2,0,1]=4 2886 B15R1.1208 O=C(COc1ccccc1F)NCCO 240690a_100000210304_100000182486 [0,1,0,0,0,0|1,0,1]=3 2887 B15R1.1208 O=C(COc1ccccc1F)NCCO 527a_100000210304_100000182486 [0,1,0,0,0,0|1,0,1]=3 2888 B15R1.1208 O=C(COc1ccccc1O)NCCF 240690a_100000724931_100000183020 [0,1,0,0,0,0|2,0,1]=4 2889 B15R1.1208 O=C(COc1ccccc1O)NCCF 527a_100000724931_100000183020 [0,1,0,0,0,0|2,0,1]=4 2890 B15R1.1208 O=C(COc1ccccc1O)NCCO 240690a_100000210304_100000183020 [0,1,0,0,0,0|1,0,1]=3 2891 B15R1.1208 O=C(COc1ccccc1O)NCCO 527a_100000210304_100000183020 [0,1,0,0,0,0|1,0,1]=3 2892 B15R1.1208 O=C(CSc1ccccc1F)NCCF 11a_100000724931_100000179528 [0,1,0,0,0,0|2,0,1]=4 2893 B15R1.1208 O=C(CSc1ccccc1F)NCCF 1626a_100000724931_100000179528 [0,1,0,0,0,0|2,0,1]=4 2894 B15R1.1208 O=C(CSc1ccccc1F)NCCF 240690a_100000724931_100000179528 [0,1,0,0,0,0|2,0,1]=4 2895 B15R1.1208 O=C(CSc1ccccc1F)NCCO 240690a_100000210304_100000179528 [0,1,0,0,0,0|1,0,1]=3 2896 B15R1.1208 O=C(CSc1ccccc1O)NCCF 240690a_100000724931_100000695322 [0,1,0,0,0,0|2,0,1]=4 2897 B15R1.1208 O=C(CSc1ccccc1O)NCCF 527a_100000724931_100000695322 [0,1,0,0,0,0|2,0,1]=4 2898 B15R1.1208 O=C(CSc1ccccc1O)NCCO 240690a_100000210304_100000695322 [0,1,0,0,0,0|1,0,1]=3 2899 B15R1.1208 O=C(CSc1ccccc1O)NCCO 527a_100000210304_100000695322 [0,1,0,0,0,0|1,0,1]=3 2900 B15R1.1208 O=C(NCCF)NCc1ccccc1Br 2708a_100000689332_100000724931 [0,1,0,0,0,0|2,0,1]=4 2901 B15R1.1208 O=C(NCCF)NCc1ccccc1Br 273464a_100000689332_100000724931 [0,1,0,0,0,0|2,0,1]=4 2902 B15R1.1208 O=C(NCCF)NCc1ccccc1Br 273464a_100000724931_100000689332 [0,1,0,0,0,0|2,0,1]=4 2903 B15R1.1208 O=C(NCCF)NCc1ccccc1Br 512a_100000689332_100000724931 [0,1,0,0,0,0|2,0,1]=4 2904 B15R1.1208 O=C(NCCF)NCc1ccccc1Cl 2708a_100000174879_100000724931 [0,1,0,0,0,0|2,0,1]=4 2905 B15R1.1208 O=C(NCCF)NCc1ccccc1Cl 273464a_100000174879_100000724931 [0,1,0,0,0,0|2,0,1]=4 2906 B15R1.1208 O=C(NCCF)NCc1ccccc1Cl 273464a_100000724931_100000174879 [0,1,0,0,0,0|2,0,1]=4 2907 B15R1.1208 O=C(NCCF)NCc1ccccc1F 2708a_100000174869_100000724931 [0,1,0,0,0,0|2,0,1]=4 2908 B15R1.1208 O=C(NCCF)NCc1ccccc1F 273464a_100000174869_100000724931 [0,1,0,0,0,0|2,0,1]=4 2909 B15R1.1208 O=C(NCCF)NCc1ccccc1F 273464a_100000724931_100000174869 [0,1,0,0,0,0|2,0,1]=4 2910 B15R1.1208 O=C(NCCF)NCc1ccccc1F 512a_100000174869_100000724931 [0,1,0,0,0,0|2,0,1]=4 2911 B15R1.1208 O=C(NCCF)NCc1ccccc1I 2708a_100015347259_100000724931 [0,1,0,0,0,0|2,0,1]=4 2912 B15R1.1208 O=C(NCCF)NCc1ccccc1I 273464a_100000724931_100015347259 [0,1,0,0,0,0|2,0,1]=4 2913 B15R1.1208 O=C(NCCF)NCc1ccccc1I 273464a_100015347259_100000724931 [0,1,0,0,0,0|2,0,1]=4 2914 B15R1.1208 O=C(NCCF)NCc1ccccc1I 512a_100015347259_100000724931 [0,1,0,0,0,0|2,0,1]=4 2915 B15R1.1208 O=C(NCCF)NCc1ccccc1O 2708a_100000185550_100000724931 [0,1,0,0,0,0|2,0,1]=4 2916 B15R1.1208 O=C(NCCF)NCc1ccccc1O 273464a_100000185550_100000724931 [0,1,0,0,0,0|2,0,1]=4 2917 B15R1.1208 O=C(NCCF)NCc1ccccc1O 273464a_100000724931_100000185550 [0,1,0,0,0,0|2,0,1]=4 2918 B15R1.1208 O=C(NCCF)NCc1ccccc1O 512a_100000185550_100000724931 [0,1,0,0,0,0|2,0,1]=4 2919 B15R1.1208 O=C(NCCF)NNc1ccccc1Br 273464a_100000724931_100000241748 [0,1,0,0,0,0|3,0,0]=4 2920 B15R1.1208 O=C(NCCF)NNc1ccccc1Cl 273464a_100000724931_100000683529 [0,1,0,0,0,0|3,0,0]=4 2921 B15R1.1208 O=C(NCCF)NNc1ccccc1F 273464a_100000724931_100000239246 [0,1,0,0,0,0|3,0,0]=4 2922 B15R1.1208 O=C(NCCF)NNc1ccccc1I 273464a_100000724931_100011218156 [0,1,0,0,0,0|3,0,0]=4 2923 B15R1.1208 O=C(NCCO)NCc1ccccc1Br 2708a_100000689332_100000210304 [0,1,0,0,0,0|1,0,1]=3 2924 B15R1.1208 O=C(NCCO)NCc1ccccc1Br 273464a_100000210304_100000689332 [0,1,0,0,0,0|1,0,1]=3 2925 B15R1.1208 O=C(NCCO)NCc1ccccc1Br 273464a_100000689332_100000210304 [0,1,0,0,0,0|1,0,1]=3 2926 B15R1.1208 O=C(NCCO)NCc1ccccc1Br 512a_100000689332_100000210304 [0,1,0,0,0,0|1,0,1]=3 2927 B15R1.1208 O=C(NCCO)NCc1ccccc1Cl 2708a_100000174879_100000210304 [0,1,0,0,0,0|1,0,1]=3 2928 B15R1.1208 O=C(NCCO)NCc1ccccc1Cl 273464a_100000174879_100000210304 [0,1,0,0,0,0|1,0,1]=3 2929 B15R1.1208 O=C(NCCO)NCc1ccccc1Cl 273464a_100000210304_100000174879 [0,1,0,0,0,0|1,0,1]=3 2930 B15R1.1208 O=C(NCCO)NCc1ccccc1F 2708a_100000174869_100000210304 [0,1,0,0,0,0|1,0,1]=3 2931 B15R1.1208 O=C(NCCO)NCc1ccccc1F 273464a_100000174869_100000210304 [0,1,0,0,0,0|1,0,1]=3 2932 B15R1.1208 O=C(NCCO)NCc1ccccc1F 273464a_100000210304_100000174869 [0,1,0,0,0,0|1,0,1]=3 2933 B15R1.1208 O=C(NCCO)NCc1ccccc1F 512a_100000174869_100000210304 [0,1,0,0,0,0|1,0,1]=3 2934 B15R1.1208 O=C(NCCO)NCc1ccccc1I 2708a_100015347259_100000210304 [0,1,0,0,0,0|1,0,1]=3 2935 B15R1.1208 O=C(NCCO)NCc1ccccc1I 273464a_100000210304_100015347259 [0,1,0,0,0,0|1,0,1]=3 2936 B15R1.1208 O=C(NCCO)NCc1ccccc1I 273464a_100015347259_100000210304 [0,1,0,0,0,0|1,0,1]=3 2937 B15R1.1208 O=C(NCCO)NCc1ccccc1I 512a_100015347259_100000210304 [0,1,0,0,0,0|1,0,1]=3 2938 B15R1.1208 O=C(NCCO)NCc1ccccc1O 2708a_100000185550_100000210304 [0,1,0,0,0,0|1,0,1]=3 2939 B15R1.1208 O=C(NCCO)NCc1ccccc1O 273464a_100000185550_100000210304 [0,1,0,0,0,0|1,0,1]=3 2940 B15R1.1208 O=C(NCCO)NCc1ccccc1O 273464a_100000210304_100000185550 [0,1,0,0,0,0|1,0,1]=3 2941 B15R1.1208 O=C(NCCO)NCc1ccccc1O 512a_100000185550_100000210304 [0,1,0,0,0,0|1,0,1]=3 2942 B15R1.1208 O=C(NCCO)NCc1cccnc1Br 2708a_100009818023_100000210304 [0,1,0,0,0,0|2,0,1]=4 2943 B15R1.1208 O=C(NCCO)NCc1cccnc1Br 273464a_100000210304_100009818023 [0,1,0,0,0,0|2,0,1]=4 2944 B15R1.1208 O=C(NCCO)NCc1cccnc1Br 273464a_100009818023_100000210304 [0,1,0,0,0,0|2,0,1]=4 2945 B15R1.1208 O=C(NCCO)NCc1cccnc1Br 512a_100009818023_100000210304 [0,1,0,0,0,0|2,0,1]=4 2946 B15R1.1208 O=C(NCCO)NCc1cccnc1Cl 2708a_100015189234_100000210304 [0,1,0,0,0,0|2,0,1]=4 2947 B15R1.1208 O=C(NCCO)NCc1cccnc1Cl 273464a_100000210304_100015189234 [0,1,0,0,0,0|2,0,1]=4 2948 B15R1.1208 O=C(NCCO)NCc1cccnc1Cl 273464a_100015189234_100000210304 [0,1,0,0,0,0|2,0,1]=4 2949 B15R1.1208 O=C(NCCO)NCc1cccnc1Cl 512a_100015189234_100000210304 [0,1,0,0,0,0|2,0,1]=4 2950 B15R1.1208 O=C(NCCO)NCc1cccnc1F 2708a_100000724633_100000210304 [0,1,0,0,0,0|2,0,1]=4 2951 B15R1.1208 O=C(NCCO)NCc1cccnc1F 273464a_100000210304_100000724633 [0,1,0,0,0,0|2,0,1]=4 2952 B15R1.1208 O=C(NCCO)NCc1cccnc1F 273464a_100000724633_100000210304 [0,1,0,0,0,0|2,0,1]=4 2953 B15R1.1208 O=C(NCCO)NCc1cccnc1F 512a_100000724633_100000210304 [0,1,0,0,0,0|2,0,1]=4 2954 B15R1.1208 O=C(NCCO)NCc1ccncc1Br 2708a_100020640021_100000210304 [0,1,0,0,0,0|2,0,1]=4 2955 B15R1.1208 O=C(NCCO)NCc1ccncc1Br 273464a_100000210304_100020640021 [0,1,0,0,0,0|2,0,1]=4 2956 B15R1.1208 O=C(NCCO)NCc1ccncc1Br 273464a_100020640021_100000210304 [0,1,0,0,0,0|2,0,1]=4 2957 B15R1.1208 O=C(NCCO)NCc1ccncc1Br 512a_100020640021_100000210304 [0,1,0,0,0,0|2,0,1]=4 2958 B15R1.1208 O=C(NCCO)NCc1ccncc1F 2708a_100011935246_100000210304 [0,1,0,0,0,0|2,0,1]=4 2959 B15R1.1208 O=C(NCCO)NCc1ccncc1F 273464a_100000210304_100011935246 [0,1,0,0,0,0|2,0,1]=4 2960 B15R1.1208 O=C(NCCO)NCc1ccncc1F 273464a_100011935246_100000210304 [0,1,0,0,0,0|2,0,1]=4 2961 B15R1.1208 O=C(NCCO)NCc1ccncc1F 512a_100011935246_100000210304 [0,1,0,0,0,0|2,0,1]=4 2962 B15R1.1208 O=C(NCCO)NCc1ncccc1Br 2708a_100020591323_100000210304 [0,1,0,0,0,0|2,0,1]=4 2963 B15R1.1208 O=C(NCCO)NCc1ncccc1Br 273464a_100000210304_100020591323 [0,1,0,0,0,0|2,0,1]=4 2964 B15R1.1208 O=C(NCCO)NCc1ncccc1Br 273464a_100020591323_100000210304 [0,1,0,0,0,0|2,0,1]=4 2965 B15R1.1208 O=C(NCCO)NCc1ncccc1Br 512a_100020591323_100000210304 [0,1,0,0,0,0|2,0,1]=4 2966 B15R1.1208 O=C(NCCO)NCc1ncccc1Cl 2708a_100015189233_100000210304 [0,1,0,0,0,0|2,0,1]=4 2967 B15R1.1208 O=C(NCCO)NCc1ncccc1Cl 273464a_100000210304_100015189233 [0,1,0,0,0,0|2,0,1]=4 2968 B15R1.1208 O=C(NCCO)NCc1ncccc1Cl 273464a_100015189233_100000210304 [0,1,0,0,0,0|2,0,1]=4 2969 B15R1.1208 O=C(NCCO)NCc1ncccc1Cl 512a_100015189233_100000210304 [0,1,0,0,0,0|2,0,1]=4 2970 B15R1.1208 O=C(NCCO)NCc1ncccc1F 2708a_100000690088_100000210304 [0,1,0,0,0,0|2,0,1]=4 2971 B15R1.1208 O=C(NCCO)NCc1ncccc1F 273464a_100000210304_100000690088 [0,1,0,0,0,0|2,0,1]=4 2972 B15R1.1208 O=C(NCCO)NCc1ncccc1F 273464a_100000690088_100000210304 [0,1,0,0,0,0|2,0,1]=4 2973 B15R1.1208 O=C(NCCO)NCc1ncccc1F 512a_100000690088_100000210304 [0,1,0,0,0,0|2,0,1]=4 2974 B15R1.1208 O=C(NCCO)NNc1ccccc1Br 273464a_100000210304_100000241748 [0,1,0,0,0,0|2,0,0]=3 2975 B15R1.1208 O=C(NCCO)NNc1ccccc1Cl 273464a_100000210304_100000683529 [0,1,0,0,0,0|2,0,0]=3 2976 B15R1.1208 O=C(NCCO)NNc1ccccc1F 273464a_100000210304_100000239246 [0,1,0,0,0,0|2,0,0]=3 2977 B15R1.1208 O=C(NCCO)NNc1ccccc1I 273464a_100000210304_100011218156 [0,1,0,0,0,0|2,0,0]=3 2978 B15R1.1208 O=C(NCCO)NNc1ccncc1Br 273464a_100000210304_100013404636 [0,1,0,0,0,0|3,0,0]=4 2979 B15R1.1208 O=C(NCCO)NNc1ncccc1Br 273464a_100000210304_100011464834 [0,1,0,0,0,0|3,0,0]=4 2980 B15R1.1208 O=C(NCCO)NNc1ncccc1Cl 273464a_100000210304_100000741667 [0,1,0,0,0,0|3,0,0]=4 2981 B15R1.1208 O=C(NCCO)NNc1ncccc1F 273464a_100000210304_100000717775 [0,1,0,0,0,0|3,0,0]=4 2982 B15R1.1208 O=C(NCCO)NNc1ncccc1I 273464a_100000210304_100010221029 [0,1,0,0,0,0|3,0,0]=4 2983 B15R1.5919 C=C(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000730704 [0,1,0,0,0,0|2,0,1]=4 2984 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccc1 11a_100000765925_100000210462 [0,1,0,0,0,0|1,0,1]=3 2985 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccc1 1626a_100000765925_100000210462 [0,1,0,0,0,0|1,0,1]=3 2986 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccn1 11a_100000765925_100000740811 [0,1,0,0,0,0|2,0,1]=4 2987 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccccn1 240690a_100000765925_100000740811 [0,1,0,0,0,0|2,0,1]=4 2988 B15R1.5919 C=C(C)CNC(=O)C=Cc1cccnc1 11a_100000765925_100000735890 [0,1,0,0,0,0|2,0,1]=4 2989 B15R1.5919 C=C(C)CNC(=O)C=Cc1cccnc1 240690a_100000765925_100000735890 [0,1,0,0,0,0|2,0,1]=4 2990 B15R1.5919 C=C(C)CNC(=O)C=Cc1ccncc1 240690a_100000765925_100000682801 [0,1,0,0,0,0|2,0,1]=4 2991 B15R1.5919 CC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_200000210301 [0,1,0,0,0,0|0,0,2]=3 2992 B15R1.5919 CC(=O)NNC(=O)C=Cc1ccccc1 22a_100000189765_100000210462 [0,1,0,0,0,0|1,0,2]=4 2993 B15R1.5919 CC(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210312 [0,1,0,0,0,0|2,0,0]=3 2994 B15R1.5919 CC(C)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210312 [0,1,0,0,0,0|3,0,0]=4 2995 B15R1.5919 CC(C)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210312 [0,1,0,0,0,0|3,0,0]=4 2996 B15R1.5919 CC(C)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210312 [0,1,0,0,0,0|3,0,0]=4 2997 B15R1.5919 CC(C)CNC(=O)C#Cc1ccccc1 240690a_100000210953_100000736102 [0,1,0,0,0,0|1,0,2]=4 2998 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccc1 11a_100000210953_100000210462 [0,1,0,0,0,0|1,0,0]=2 2999 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccc1 1626a_100000210953_100000210462 [0,1,0,0,0,0|1,0,0]=2 3000 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccn1 11a_100000210953_100000740811 [0,1,0,0,0,0|2,0,0]=3 3001 B15R1.5919 CC(C)CNC(=O)C=Cc1ccccn1 240690a_100000210953_100000740811 [0,1,0,0,0,0|2,0,0]=3 3002 B15R1.5919 CC(C)CNC(=O)C=Cc1cccnc1 11a_100000210953_100000735890 [0,1,0,0,0,0|2,0,0]=3 3003 B15R1.5919 CC(C)CNC(=O)C=Cc1cccnc1 240690a_100000210953_100000735890 [0,1,0,0,0,0|2,0,0]=3 3004 B15R1.5919 CC(C)CNC(=O)C=Cc1ccncc1 240690a_100000210953_100000682801 [0,1,0,0,0,0|2,0,0]=3 3005 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 11a_100000210953_100000185753 [0,1,0,0,0,0|1,0,2]=4 3006 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 1626a_100000210953_100000185753 [0,1,0,0,0,0|1,0,2]=4 3007 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 240690a_100000210953_100000185753 [0,1,0,0,0,0|1,0,2]=4 3008 B15R1.5919 CC(C)CNC(=O)CCc1ccccc1 527a_100000210953_100000185753 [0,1,0,0,0,0|1,0,2]=4 3009 B15R1.5919 CC(C)CNC(=O)CNc1ccccc1 34a_100000106764_100000183291 [0,1,0,0,0,0|2,0,1]=4 3010 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 11a_100000210953_100000186222 [0,1,0,0,0,0|2,0,1]=4 3011 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 1626a_100000210953_100000186222 [0,1,0,0,0,0|2,0,1]=4 3012 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 240690a_100000210953_100000186222 [0,1,0,0,0,0|2,0,1]=4 3013 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 34a_100000210340_100000183291 [0,1,0,0,0,0|2,0,1]=4 3014 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 527a_100000210953_100000186222 [0,1,0,0,0,0|2,0,1]=4 3015 B15R1.5919 CC(C)CNC(=O)COc1ccccc1 7a_100000210340_100000183291 [0,1,0,0,0,0|2,0,1]=4 3016 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 11a_100000210953_100000211596 [0,1,0,0,0,0|2,0,1]=4 3017 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 1626a_100000210953_100000211596 [0,1,0,0,0,0|2,0,1]=4 3018 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 240690a_100000210953_100000211596 [0,1,0,0,0,0|2,0,1]=4 3019 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 527a_100000210953_100000211596 [0,1,0,0,0,0|2,0,1]=4 3020 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 62a_100000183291_100000041952 [0,1,0,0,0,0|2,0,1]=4 3021 B15R1.5919 CC(C)CNC(=O)CSc1ccccc1 62a_100000719477_100000183291 [0,1,0,0,0,0|2,0,1]=4 3022 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 2708a_100000210953_100015324214 [0,1,0,0,0,0|2,0,1]=4 3023 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 2708a_100015324214_100000210953 [0,1,0,0,0,0|2,0,1]=4 3024 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 273464a_100000210953_100015324214 [0,1,0,0,0,0|2,0,1]=4 3025 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 273464a_100015324214_100000210953 [0,1,0,0,0,0|2,0,1]=4 3026 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 512a_100000210953_100015324214 [0,1,0,0,0,0|2,0,1]=4 3027 B15R1.5919 CC(C)CNC(=O)NCc1ccccc1 512a_100015324214_100000210953 [0,1,0,0,0,0|2,0,1]=4 3028 B15R1.5919 CC(C)CNC(=O)NNc1ccccc1 273464a_100000210953_100015195140 [0,1,0,0,0,0|3,0,0]=4 3029 B15R1.5919 CC(C)CNC(=O)NNc1ccccc1 512a_100000210953_100015195140 [0,1,0,0,0,0|3,0,0]=4 3030 B15R1.5919 CC(C)NNC(=O)C=Cc1ccccc1 22a_100000741168_100000210462 [0,1,0,0,0,0|2,0,0]=3 3031 B15R1.5919 CC(C)NNC(=O)C=Cc1ccccn1 22a_100000741168_100000740811 [0,1,0,0,0,0|3,0,0]=4 3032 B15R1.5919 CC(C)NNC(=O)C=Cc1cccnc1 22a_100000741168_100000735890 [0,1,0,0,0,0|3,0,0]=4 3033 B15R1.5919 CC(C)NNC(=O)C=Cc1ccncc1 22a_100000741168_100000682801 [0,1,0,0,0,0|3,0,0]=4 3034 B15R1.5919 CC(O)CCC(=O)C#Cc1ccccc1 1458a_100000736102_100012276601 [0,1,0,0,0,0|1,0,2]=4 3035 B15R1.5919 CC(O)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100012276601 [0,1,0,0,0,0|1,0,0]=2 3036 B15R1.5919 CC(O)CCC(=O)C=Cc1ccccn1 1458a_100000740811_100012276601 [0,1,0,0,0,0|2,0,0]=3 3037 B15R1.5919 CC(O)CCC(=O)C=Cc1cccnc1 1458a_100000735890_100012276601 [0,1,0,0,0,0|2,0,0]=3 3038 B15R1.5919 CC(O)CCC(=O)C=Cc1ccncc1 1458a_100000682801_100012276601 [0,1,0,0,0,0|2,0,0]=3 3039 B15R1.5919 CC(O)CCC(=O)CCc1ccccc1 1458a_100000185753_100012276601 [0,1,0,0,0,0|1,0,2]=4 3040 B15R1.5919 CC(O)CCC(=O)COc1ccccc1 1458a_100000186222_100012276601 [0,1,0,0,0,0|2,0,1]=4 3041 B15R1.5919 CC(O)CCC(=O)CSc1ccccc1 1458a_100000211596_100012276601 [0,1,0,0,0,0|2,0,1]=4 3042 B15R1.5919 CC(O)CCC(=O)NCc1ccccc1 1626a_100015324214_100000718519 [0,1,0,0,0,0|2,0,1]=4 3043 B15R1.5919 CC(O)CNC(=O)C#Cc1ccccc1 240690a_100000210904_100000736102 [0,1,0,0,0,0|0,0,2]=3 3044 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccc1 11a_100000210904_100000210462 [0,1,0,0,0,0|0,0,0]=1 3045 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccn1 11a_100000210904_100000740811 [0,1,0,0,0,0|1,0,0]=2 3046 B15R1.5919 CC(O)CNC(=O)C=Cc1ccccn1 240690a_100000210904_100000740811 [0,1,0,0,0,0|1,0,0]=2 3047 B15R1.5919 CC(O)CNC(=O)C=Cc1cccnc1 11a_100000210904_100000735890 [0,1,0,0,0,0|1,0,0]=2 3048 B15R1.5919 CC(O)CNC(=O)C=Cc1cccnc1 240690a_100000210904_100000735890 [0,1,0,0,0,0|1,0,0]=2 3049 B15R1.5919 CC(O)CNC(=O)C=Cc1ccncc1 240690a_100000210904_100000682801 [0,1,0,0,0,0|1,0,0]=2 3050 B15R1.5919 CC(O)CNC(=O)CCc1ccccc1 11a_100000210904_100000185753 [0,1,0,0,0,0|0,0,2]=3 3051 B15R1.5919 CC(O)CNC(=O)CCc1ccccc1 240690a_100000210904_100000185753 [0,1,0,0,0,0|0,0,2]=3 3052 B15R1.5919 CC(O)CNC(=O)CCc1ccccc1 527a_100000210904_100000185753 [0,1,0,0,0,0|0,0,2]=3 3053 B15R1.5919 CC(O)CNC(=O)CCc1ccccn1 11a_100000210904_100015195070 [0,1,0,0,0,0|1,0,2]=4 3054 B15R1.5919 CC(O)CNC(=O)CCc1ccccn1 240690a_100000210904_100015195070 [0,1,0,0,0,0|1,0,2]=4 3055 B15R1.5919 CC(O)CNC(=O)CCc1ccccn1 527a_100000210904_100015195070 [0,1,0,0,0,0|1,0,2]=4 3056 B15R1.5919 CC(O)CNC(=O)CCc1cccnc1 11a_100000210904_100000198484 [0,1,0,0,0,0|1,0,2]=4 3057 B15R1.5919 CC(O)CNC(=O)CCc1cccnc1 240690a_100000210904_100000198484 [0,1,0,0,0,0|1,0,2]=4 3058 B15R1.5919 CC(O)CNC(=O)CCc1cccnc1 527a_100000210904_100000198484 [0,1,0,0,0,0|1,0,2]=4 3059 B15R1.5919 CC(O)CNC(=O)CCc1ccncc1 11a_100000210904_100011225043 [0,1,0,0,0,0|1,0,2]=4 3060 B15R1.5919 CC(O)CNC(=O)CCc1ccncc1 240690a_100000210904_100011225043 [0,1,0,0,0,0|1,0,2]=4 3061 B15R1.5919 CC(O)CNC(=O)CCc1ccncc1 527a_100000210904_100011225043 [0,1,0,0,0,0|1,0,2]=4 3062 B15R1.5919 CC(O)CNC(=O)COc1ccccc1 11a_100000210904_100000186222 [0,1,0,0,0,0|1,0,1]=3 3063 B15R1.5919 CC(O)CNC(=O)COc1ccccc1 240690a_100000210904_100000186222 [0,1,0,0,0,0|1,0,1]=3 3064 B15R1.5919 CC(O)CNC(=O)COc1ccccc1 527a_100000210904_100000186222 [0,1,0,0,0,0|1,0,1]=3 3065 B15R1.5919 CC(O)CNC(=O)COc1ccccn1 240690a_100000210904_100102699861 [0,1,0,0,0,0|2,0,1]=4 3066 B15R1.5919 CC(O)CNC(=O)COc1ccccn1 527a_100000210904_100102699861 [0,1,0,0,0,0|2,0,1]=4 3067 B15R1.5919 CC(O)CNC(=O)COc1cccnc1 11a_100000210904_100015207166 [0,1,0,0,0,0|2,0,1]=4 3068 B15R1.5919 CC(O)CNC(=O)COc1cccnc1 240690a_100000210904_100015207166 [0,1,0,0,0,0|2,0,1]=4 3069 B15R1.5919 CC(O)CNC(=O)COc1cccnc1 527a_100000210904_100015207166 [0,1,0,0,0,0|2,0,1]=4 3070 B15R1.5919 CC(O)CNC(=O)CSc1ccccc1 11a_100000210904_100000211596 [0,1,0,0,0,0|1,0,1]=3 3071 B15R1.5919 CC(O)CNC(=O)CSc1ccccc1 240690a_100000210904_100000211596 [0,1,0,0,0,0|1,0,1]=3 3072 B15R1.5919 CC(O)CNC(=O)CSc1ccccc1 527a_100000210904_100000211596 [0,1,0,0,0,0|1,0,1]=3 3073 B15R1.5919 CC(O)CNC(=O)CSc1ccccn1 11a_100000210904_100000156281 [0,1,0,0,0,0|2,0,1]=4 3074 B15R1.5919 CC(O)CNC(=O)CSc1ccccn1 240690a_100000210904_100000156281 [0,1,0,0,0,0|2,0,1]=4 3075 B15R1.5919 CC(O)CNC(=O)CSc1ccccn1 527a_100000210904_100000156281 [0,1,0,0,0,0|2,0,1]=4 3076 B15R1.5919 CC(O)CNC(=O)CSc1ccncc1 11a_100000210904_100000211328 [0,1,0,0,0,0|2,0,1]=4 3077 B15R1.5919 CC(O)CNC(=O)CSc1ccncc1 240690a_100000210904_100000211328 [0,1,0,0,0,0|2,0,1]=4 3078 B15R1.5919 CC(O)CNC(=O)CSc1ccncc1 527a_100000210904_100000211328 [0,1,0,0,0,0|2,0,1]=4 3079 B15R1.5919 CC(O)CNC(=O)NCc1ccccc1 2708a_100015324214_100000210904 [0,1,0,0,0,0|1,0,1]=3 3080 B15R1.5919 CC(O)CNC(=O)NCc1ccccc1 273464a_100000210904_100015324214 [0,1,0,0,0,0|1,0,1]=3 3081 B15R1.5919 CC(O)CNC(=O)NCc1ccccc1 273464a_100015324214_100000210904 [0,1,0,0,0,0|1,0,1]=3 3082 B15R1.5919 CC(O)CNC(=O)NCc1ccccc1 512a_100000210904_100015324214 [0,1,0,0,0,0|1,0,1]=3 3083 B15R1.5919 CC(O)CNC(=O)NCc1ccccc1 512a_100015324214_100000210904 [0,1,0,0,0,0|1,0,1]=3 3084 B15R1.5919 CC(O)CNC(=O)NCc1ccccn1 2708a_100000210449_100000210904 [0,1,0,0,0,0|2,0,1]=4 3085 B15R1.5919 CC(O)CNC(=O)NCc1ccccn1 273464a_100000210449_100000210904 [0,1,0,0,0,0|2,0,1]=4 3086 B15R1.5919 CC(O)CNC(=O)NCc1ccccn1 273464a_100000210904_100000210449 [0,1,0,0,0,0|2,0,1]=4 3087 B15R1.5919 CC(O)CNC(=O)NCc1ccccn1 512a_100000210904_100000210449 [0,1,0,0,0,0|2,0,1]=4 3088 B15R1.5919 CC(O)CNC(=O)NCc1cccnc1 2708a_100000210453_100000210904 [0,1,0,0,0,0|2,0,1]=4 3089 B15R1.5919 CC(O)CNC(=O)NCc1cccnc1 273464a_100000210453_100000210904 [0,1,0,0,0,0|2,0,1]=4 3090 B15R1.5919 CC(O)CNC(=O)NCc1cccnc1 273464a_100000210904_100000210453 [0,1,0,0,0,0|2,0,1]=4 3091 B15R1.5919 CC(O)CNC(=O)NCc1cccnc1 512a_100000210453_100000210904 [0,1,0,0,0,0|2,0,1]=4 3092 B15R1.5919 CC(O)CNC(=O)NCc1cccnc1 512a_100000210904_100000210453 [0,1,0,0,0,0|2,0,1]=4 3093 B15R1.5919 CC(O)CNC(=O)NCc1ccncc1 2708a_100000210450_100000210904 [0,1,0,0,0,0|2,0,1]=4 3094 B15R1.5919 CC(O)CNC(=O)NCc1ccncc1 273464a_100000210450_100000210904 [0,1,0,0,0,0|2,0,1]=4 3095 B15R1.5919 CC(O)CNC(=O)NCc1ccncc1 273464a_100000210904_100000210450 [0,1,0,0,0,0|2,0,1]=4 3096 B15R1.5919 CC(O)CNC(=O)NCc1ccncc1 512a_100000210904_100000210450 [0,1,0,0,0,0|2,0,1]=4 3097 B15R1.5919 CC(O)CNC(=O)NNc1ccccc1 273464a_100000210904_100015195140 [0,1,0,0,0,0|2,0,0]=3 3098 B15R1.5919 CC(O)CNC(=O)NNc1ccccc1 512a_100000210904_100015195140 [0,1,0,0,0,0|2,0,0]=3 3099 B15R1.5919 CC(O)CNC(=O)NNc1ccccn1 273464a_100000210904_100000183288 [0,1,0,0,0,0|3,0,0]=4 3100 B15R1.5919 CC(O)CNC(=O)NNc1ccccn1 512a_100000210904_100000183288 [0,1,0,0,0,0|3,0,0]=4 3101 B15R1.5919 CC(O)CNC(=O)NNc1cccnc1 273464a_100000210904_100000728903 [0,1,0,0,0,0|3,0,0]=4 3102 B15R1.5919 CC(O)CNC(=O)NNc1cccnc1 512a_100000210904_100000728903 [0,1,0,0,0,0|3,0,0]=4 3103 B15R1.5919 CC(O)CNC(=O)NNc1ccncc1 273464a_100000210904_100000698918 [0,1,0,0,0,0|3,0,0]=4 3104 B15R1.5919 CC(O)CNC(=O)NNc1ccncc1 512a_100000210904_100000698918 [0,1,0,0,0,0|3,0,0]=4 3105 B15R1.5919 NC(=O)CNC(=O)C=Cc1ccccc1 11a_100000711301_100000210462 [0,1,0,0,0,0|0,0,2]=3 3106 B15R1.5919 NC(=O)CNC(=O)C=Cc1ccccn1 11a_100000711301_100000740811 [0,1,0,0,0,0|1,0,2]=4 3107 B15R1.5919 NC(=O)CNC(=O)C=Cc1ccccn1 240690a_100000711301_100000740811 [0,1,0,0,0,0|1,0,2]=4 3108 B15R1.5919 NC(=O)CNC(=O)C=Cc1cccnc1 11a_100000711301_100000735890 [0,1,0,0,0,0|1,0,2]=4 3109 B15R1.5919 NC(=O)CNC(=O)C=Cc1cccnc1 240690a_100000711301_100000735890 [0,1,0,0,0,0|1,0,2]=4 3110 B15R1.5919 NC(=O)CNC(=O)C=Cc1ccncc1 240690a_100000711301_100000682801 [0,1,0,0,0,0|1,0,2]=4 3111 B15R1.5919 O=C(C#Cc1ccccc1)NCC(F)F 240690a_100000765723_100000736102 [0,1,0,0,0,0|1,0,2]=4 3112 B15R1.5919 O=C(C=Cc1ccccc1)NCC(F)F 11a_100000765723_100000210462 [0,1,0,0,0,0|1,0,0]=2 3113 B15R1.5919 O=C(C=Cc1ccccc1)NCC(F)F 1626a_100000765723_100000210462 [0,1,0,0,0,0|1,0,0]=2 3114 B15R1.5919 O=C(C=Cc1ccccn1)NCC(F)F 11a_100000765723_100000740811 [0,1,0,0,0,0|2,0,0]=3 3115 B15R1.5919 O=C(C=Cc1ccccn1)NCC(F)F 240690a_100000765723_100000740811 [0,1,0,0,0,0|2,0,0]=3 3116 B15R1.5919 O=C(C=Cc1cccnc1)NCC(F)F 11a_100000765723_100000735890 [0,1,0,0,0,0|2,0,0]=3 3117 B15R1.5919 O=C(C=Cc1cccnc1)NCC(F)F 240690a_100000765723_100000735890 [0,1,0,0,0,0|2,0,0]=3 3118 B15R1.5919 O=C(C=Cc1ccncc1)NCC(F)F 240690a_100000765723_100000682801 [0,1,0,0,0,0|2,0,0]=3 3119 B15R1.5919 O=C(CCc1ccccc1)NCC(F)F 11a_100000765723_100000185753 [0,1,0,0,0,0|1,0,2]=4 3120 B15R1.5919 O=C(CCc1ccccc1)NCC(F)F 1626a_100000765723_100000185753 [0,1,0,0,0,0|1,0,2]=4 3121 B15R1.5919 O=C(CCc1ccccc1)NCC(F)F 240690a_100000765723_100000185753 [0,1,0,0,0,0|1,0,2]=4 3122 B15R1.5919 O=C(CCc1ccccc1)NCC(F)F 527a_100000765723_100000185753 [0,1,0,0,0,0|1,0,2]=4 3123 B15R1.5919 O=C(COc1ccccc1)NCC(F)F 11a_100000765723_100000186222 [0,1,0,0,0,0|2,0,1]=4 3124 B15R1.5919 O=C(COc1ccccc1)NCC(F)F 1626a_100000765723_100000186222 [0,1,0,0,0,0|2,0,1]=4 3125 B15R1.5919 O=C(COc1ccccc1)NCC(F)F 240690a_100000765723_100000186222 [0,1,0,0,0,0|2,0,1]=4 3126 B15R1.5919 O=C(COc1ccccc1)NCC(F)F 527a_100000765723_100000186222 [0,1,0,0,0,0|2,0,1]=4 3127 B15R1.5919 O=C(CSc1ccccc1)NCC(F)F 11a_100000765723_100000211596 [0,1,0,0,0,0|2,0,1]=4 3128 B15R1.5919 O=C(CSc1ccccc1)NCC(F)F 1626a_100000765723_100000211596 [0,1,0,0,0,0|2,0,1]=4 3129 B15R1.5919 O=C(CSc1ccccc1)NCC(F)F 240690a_100000765723_100000211596 [0,1,0,0,0,0|2,0,1]=4 3130 B15R1.5919 O=C(CSc1ccccc1)NCC(F)F 527a_100000765723_100000211596 [0,1,0,0,0,0|2,0,1]=4 3131 B15R1.5919 O=C(NCC(F)F)NNc1ccccc1 273464a_100000765723_100015195140 [0,1,0,0,0,0|3,0,0]=4 3132 B15R1.5919 O=C(NCC(F)F)NNc1ccccc1 512a_100000765723_100015195140 [0,1,0,0,0,0|3,0,0]=4 3133 B15R1.5919 O=C(NCc1ccccc1)NCC(F)F 2708a_100015324214_100000765723 [0,1,0,0,0,0|2,0,1]=4 3134 B15R1.5919 O=C(NCc1ccccc1)NCC(F)F 273464a_100000765723_100015324214 [0,1,0,0,0,0|2,0,1]=4 3135 B15R1.5919 O=C(NCc1ccccc1)NCC(F)F 273464a_100015324214_100000765723 [0,1,0,0,0,0|2,0,1]=4 3136 B15R1.5919 O=C(NCc1ccccc1)NCC(F)F 512a_100000765723_100015324214 [0,1,0,0,0,0|2,0,1]=4 3137 B15R1.5919 O=C(NCc1ccccc1)NCC(F)F 512a_100015324214_100000765723 [0,1,0,0,0,0|2,0,1]=4 3138 B15R1.5919 [13CH3]C(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_200025704644 [0,1,0,0,0,0|0,0,2]=3 3139 B15R1.5934 C#CCNS(=O)(=O)C=Cc1ccccc1 40a_100000212058_100011098038 [0,1,0,0,0,0|2,0,1]=4 3140 B15R1.5934 C=CCNS(=O)(=O)C=Cc1ccccc1 40a_100020586998_100011098038 [0,1,0,0,0,0|2,0,1]=4 3141 B15R1.5934 CCCNS(=O)(=O)C=Cc1ccccc1 40a_100020643023_100011098038 [0,1,0,0,0,0|2,0,0]=3 3142 B15R1.5934 CCNNS(=O)(=O)C=Cc1ccccc1 40a_100000756455_100011098038 [0,1,0,0,0,0|3,0,0]=4 3143 B15R1.5934 O=S(=O)(C=Cc1ccccc1)NCCF 40a_100000724931_100011098038 [0,1,0,0,0,0|2,0,0]=3 3144 B15R1.5934 O=S(=O)(C=Cc1ccccc1)NCCO 40a_100000210304_100011098038 [0,1,0,0,0,0|1,0,0]=2 3145 B15R1.5934 O=S(=O)(CCc1ccccc1)NCCO 270084a_100000210304_100000738789 [0,1,0,0,0,0|1,0,2]=4 3146 B15R1.5934 O=S(=O)(CCc1ccccc1)NCCO 274078a_100000210304_100000738789 [0,1,0,0,0,0|1,0,2]=4 3147 B13R0.176 C=CCOC(=O)C=CC(=O)NCCO 240690a_100000210304_200011996189 [0,0,1,0,0,0|2,0,1]=4 3148 B15R2.33 O=c1cc(c(c[nH]1)F)c2ccccc2 271570a_100011218836_100009817642 [0,0,0,1,0,0|1,0,2]=4 3149 B15R2.38 O=C1NCCCC1Nc2ccccc2 34a_100000106764_100000687798 [0,0,0,1,0,0|2,0,1]=4 3150 B15R2.38 O=C1NCCCC1Oc2ccccc2 34a_100000210340_100000687798 [0,0,0,1,0,0|2,0,1]=4 3151 B15R2.38 O=C1NCCCC1Oc2ccccc2 7a_100000210340_100000687798 [0,0,0,1,0,0|2,0,1]=4 3152 B15R2.38 O=C1NCCCC1Sc2ccccc2 62a_100000687798_100000041952 [0,0,0,1,0,0|2,0,1]=4 3153 B15R2.38 O=C1NCCCC1Sc2ccccc2 62a_100000719477_100000687798 [0,0,0,1,0,0|2,0,1]=4 3154 B15R2.352 C#CCNc1ccc2ccccc2c1 34a_100000211940_100000184674 [0,0,0,1,0,0|2,0,1]=4 3155 B15R2.352 C#CCNc1ccc2ccccc2c1 7a_100000211940_100000038162 [0,0,0,1,0,0|2,0,1]=4 3156 B15R2.352 C#CCNc1ccc2ccccc2n1 27a_100000212058_100011291633 [0,0,0,1,0,0|2,0,1]=4 3157 B15R2.352 C=CCNc1ccc2ccccc2c1 34a_100000211940_100015514636 [0,0,0,1,0,0|2,0,1]=4 3158 B15R2.352 C=CCNc1ccc2ccccc2c1 7a_100000211940_100015514636 [0,0,0,1,0,0|2,0,1]=4 3159 B15R2.352 C=CCNc1ccc2ccccc2n1 27a_100020586998_100011291633 [0,0,0,1,0,0|2,0,1]=4 3160 B15R2.352 CCCCc1ccc2ccccc2c1 271570a_100020621405_100000233703 [0,0,0,1,0,0|3,0,0]=4 3161 B15R2.352 CCCCc1ccc2ccccc2n1 271570a_100020621405_100011291633 [0,0,0,1,0,0|3,0,0]=4 3162 B15R2.352 CCCNc1ccc2ccccc2c1 34a_100000211940_100000210303 [0,0,0,1,0,0|2,0,0]=3 3163 B15R2.352 CCCNc1ccc2ccccc2c1 7a_100000211940_100000210303 [0,0,0,1,0,0|2,0,0]=3 3164 B15R2.352 CCCNc1ccc2cccnc2c1 34a_100102887122_100000210303 [0,0,0,1,0,0|3,0,0]=4 3165 B15R2.352 CCCNc1ccc2cnccc2c1 34a_100000039641_100000210303 [0,0,0,1,0,0|3,0,0]=4 3166 B15R2.352 CCCNc1ccc2ncccc2c1 34a_100011198106_100000210303 [0,0,0,1,0,0|3,0,0]=4 3167 B15R2.352 CCCOc1ccc2ccccc2c1 34a_100000185828_100000210303 [0,0,0,1,0,0|3,0,0]=4 3168 B15R2.352 CCCOc1ccc2ccccc2c1 7a_100000185828_100000210303 [0,0,0,1,0,0|3,0,0]=4 3169 B15R2.352 CCCSc1ccc2ccccc2c1 62a_100000210303_100000233703 [0,0,0,1,0,0|3,0,0]=4 3170 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100000210303_100011291633 [0,0,0,1,0,0|3,0,0]=4 3171 B15R2.352 CCCSc1ccc2ccccc2n1 62a_100011291633_100000210303 [0,0,0,1,0,0|3,0,0]=4 3172 B15R2.352 CSCNc1ccc2ccccc2c1 34a_100000211940_100011218213 [0,0,0,1,0,0|3,0,0]=4 3173 B15R2.352 FCCNc1ccc2ccccc2c1 34a_100000211940_100011217306 [0,0,0,1,0,0|2,0,0]=3 3174 B15R2.352 FCCNc1ccc2ccccc2c1 7a_100000211940_100011217306 [0,0,0,1,0,0|2,0,0]=3 3175 B15R2.352 FCCNc1ccc2cccnc2c1 34a_100102887122_100011217306 [0,0,0,1,0,0|3,0,0]=4 3176 B15R2.352 FCCNc1ccc2cnccc2c1 34a_100000039641_100011217306 [0,0,0,1,0,0|3,0,0]=4 3177 B15R2.352 FCCNc1ccc2ncccc2c1 34a_100011198106_100011217306 [0,0,0,1,0,0|3,0,0]=4 3178 B15R2.352 FCCOc1ccc2ccccc2c1 34a_100000185828_100011217306 [0,0,0,1,0,0|3,0,0]=4 3179 B15R2.352 FCCOc1ccc2ccccc2c1 7a_100000185828_100011217306 [0,0,0,1,0,0|3,0,0]=4 3180 B15R2.352 FCCSc1ccc2ccccc2c1 62a_100011217306_100000233703 [0,0,0,1,0,0|3,0,0]=4 3181 B15R2.352 FCCSc1ccc2ccccc2n1 62a_100011217306_100011291633 [0,0,0,1,0,0|3,0,0]=4 3182 B15R2.352 FCCSc1ccc2ccccc2n1 62a_100011291633_100011217306 [0,0,0,1,0,0|3,0,0]=4 3183 B15R2.352 N#CCNc1ccc2ccccc2c1 7a_100000211940_100011215382 [0,0,0,1,0,0|2,0,1]=4 3184 B15R2.352 O=CCNc1ccc2ccccc2c1 34a_100000211940_200009817547 [0,0,0,1,0,0|1,0,2]=4 3185 B15R2.352 O=CCNc1ccc2ccccc2c1 7a_100000211940_200015260668 [0,0,0,1,0,0|1,0,2]=4 3186 B15R2.352 OCCNc1ccc2ccccc2c1 34a_100000211940_100000211926 [0,0,0,1,0,0|1,0,0]=2 3187 B15R2.352 OCCNc1ccc2ccccc2c1 7a_100000211940_100000211926 [0,0,0,1,0,0|1,0,0]=2 3188 B15R2.352 OCCNc1ccc2ccccc2n1 27a_100000210304_100011291633 [0,0,0,1,0,0|1,0,0]=2 3189 B15R2.352 OCCNc1ccc2cccnc2c1 34a_100102887122_100000211926 [0,0,0,1,0,0|2,0,0]=3 3190 B15R2.352 OCCNc1ccc2cccnc2n1 27a_100000210304_100000075685 [0,0,0,1,0,0|2,0,0]=3 3191 B15R2.352 OCCNc1ccc2ccncc2n1 27a_100000210304_100000020162 [0,0,0,1,0,0|2,0,0]=3 3192 B15R2.352 OCCNc1ccc2cnccc2c1 34a_100000039641_100000211926 [0,0,0,1,0,0|2,0,0]=3 3193 B15R2.352 OCCNc1ccc2cncnc2c1 27a_100000210304_100010185614 [0,0,0,1,0,0|3,0,0]=4 3194 B15R2.352 OCCNc1ccc2ncccc2c1 34a_100011198106_100000211926 [0,0,0,1,0,0|2,0,0]=3 3195 B15R2.352 OCCNc1ccc2ncccc2n1 27a_100000210304_100000073381 [0,0,0,1,0,0|2,0,0]=3 3196 B15R2.352 OCCNc1ccc2nccnc2c1 27a_100000210304_100011219451 [0,0,0,1,0,0|3,0,0]=4 3197 B15R2.352 OCCNc1ccc2nccnc2c1 34a_100011219565_100000211926 [0,0,0,1,0,0|3,0,0]=4 3198 B15R2.352 OCCNc1ccc2nccnc2n1 27a_100000210304_100012351543 [0,0,0,1,0,0|3,0,0]=4 3199 B15R2.352 OCCNc1cnc2ccccc2n1 27a_100000210304_100000756483 [0,0,0,1,0,0|2,0,0]=3 3200 B15R2.352 OCCNc1cnc2cccnc2n1 27a_100000210304_200010275043 [0,0,0,1,0,0|3,0,0]=4 3201 B15R2.352 OCCNc1cnc2ncccc2n1 27a_100000210304_100000084304 [0,0,0,1,0,0|3,0,0]=4 3202 B15R2.352 OCCNc1ncc2ccccc2n1 27a_100000210304_100000097389 [0,0,0,1,0,0|2,0,0]=3 3203 B15R2.352 OCCNc1ncc2cccnc2n1 27a_100000210304_100009875485 [0,0,0,1,0,0|3,0,0]=4 3204 B15R2.352 OCCOc1ccc2ccccc2c1 34a_100000185828_100000211926 [0,0,0,1,0,0|2,0,0]=3 3205 B15R2.352 OCCOc1ccc2ccccc2c1 7a_100000185828_100000211926 [0,0,0,1,0,0|2,0,0]=3 3206 B15R2.352 OCCOc1ccc2cccnc2c1 34a_100011216045_100000211926 [0,0,0,1,0,0|3,0,0]=4 3207 B15R2.352 OCCOc1ccc2ccncc2c1 7a_100000752006_100000211926 [0,0,0,1,0,0|3,0,0]=4 3208 B15R2.352 OCCOc1ccc2cnccc2c1 34a_100000046372_100000211926 [0,0,0,1,0,0|3,0,0]=4 3209 B15R2.352 OCCOc1ccc2cnccc2c1 7a_100000046372_100000211926 [0,0,0,1,0,0|3,0,0]=4 3210 B15R2.352 OCCOc1ccc2ncccc2c1 34a_100011215586_100000211926 [0,0,0,1,0,0|3,0,0]=4 3211 B15R2.352 OCCOc1ccc2ncccc2c1 7a_100011215586_100000211926 [0,0,0,1,0,0|3,0,0]=4 3212 B15R2.352 OCCOc1cnc2ccccc2c1 34a_100011934006_100000211926 [0,0,0,1,0,0|3,0,0]=4 3213 B15R2.352 OCCOc1cnc2ccccc2c1 7a_100011934006_100000211926 [0,0,0,1,0,0|3,0,0]=4 3214 B15R2.352 OCCSc1cc2ccccc2cn1 62a_100000211926_100000047361 [0,0,0,1,0,0|3,0,0]=4 3215 B15R2.352 OCCSc1cc2ccccc2cn1 62a_100009816522_100000211926 [0,0,0,1,0,0|3,0,0]=4 3216 B15R2.352 OCCSc1ccc2ccccc2c1 62a_100000211926_100000233703 [0,0,0,1,0,0|2,0,0]=3 3217 B15R2.352 OCCSc1ccc2ccccc2n1 62a_100000211926_100011291633 [0,0,0,1,0,0|2,0,0]=3 3218 B15R2.352 OCCSc1ccc2ccccc2n1 62a_100011291633_100000211926 [0,0,0,1,0,0|2,0,0]=3 3219 B15R2.352 OCCSc1ccc2cccnc2c1 62a_100000211926_100009816655 [0,0,0,1,0,0|3,0,0]=4 3220 B15R2.352 OCCSc1ccc2cccnc2n1 62a_100000075685_100000211926 [0,0,0,1,0,0|3,0,0]=4 3221 B15R2.352 OCCSc1ccc2cccnc2n1 62a_100000211926_100000075685 [0,0,0,1,0,0|3,0,0]=4 3222 B15R2.352 OCCSc1ccc2ccncc2c1 62a_100000211926_100000686496 [0,0,0,1,0,0|3,0,0]=4 3223 B15R2.352 OCCSc1ccc2ccncc2c1 62a_100000686496_100000211926 [0,0,0,1,0,0|3,0,0]=4 3224 B15R2.352 OCCSc1ccc2ccncc2n1 62a_100000211926_100000020162 [0,0,0,1,0,0|3,0,0]=4 3225 B15R2.352 OCCSc1ccc2cnccc2c1 62a_100000211926_100009816743 [0,0,0,1,0,0|3,0,0]=4 3226 B15R2.352 OCCSc1ccc2cnccc2c1 62a_100009816743_100000211926 [0,0,0,1,0,0|3,0,0]=4 3227 B15R2.352 OCCSc1ccc2ncccc2c1 62a_100000211926_100011215947 [0,0,0,1,0,0|3,0,0]=4 3228 B15R2.352 OCCSc1ccc2ncccc2c1 62a_100011215947_100000211926 [0,0,0,1,0,0|3,0,0]=4 3229 B15R2.352 OCCSc1ccc2ncccc2n1 62a_100000211926_100000073381 [0,0,0,1,0,0|3,0,0]=4 3230 B15R2.352 OCCSc1cnc2ccccc2c1 62a_100000211926_100000737414 [0,0,0,1,0,0|3,0,0]=4 3231 B15R2.352 OCCSc1cnc2ccccc2n1 62a_100000211926_100000756483 [0,0,0,1,0,0|3,0,0]=4 3232 B15R2.352 OCCSc1cnc2ccccc2n1 62a_100000756483_100000211926 [0,0,0,1,0,0|3,0,0]=4 3233 B15R2.352 OCCSc1ncc2ccccc2n1 62a_100000211926_100000097389 [0,0,0,1,0,0|3,0,0]=4 3234 B15R2.2195 C(=Cc1ccccc1)C2=CCCCC2 271570a_100000069214_100000210277 [0,0,0,1,0,0|3,0,0]=4 3235 B15R2.24490 O=C(C#Cc1ccccc1)N2CCC2 240690a_100000754969_100000736102 [0,0,0,1,0,0|1,0,2]=4 3236 B15R2.24490 O=C(C=Cc1ccccc1)C2CCC2 1458a_100000210462_100000749161 [0,0,0,1,0,0|2,0,0]=3 3237 B15R2.24490 O=C(C=Cc1ccccc1)C2COC2 1458a_100000210462_100000687716 [0,0,0,1,0,0|3,0,0]=4 3238 B15R2.24490 O=C(C=Cc1ccccc1)N2CCC2 11a_100000754969_100000210462 [0,0,0,1,0,0|1,0,0]=2 3239 B15R2.24490 O=C(C=Cc1ccccn1)C2CCC2 1458a_100000740811_100000749161 [0,0,0,1,0,0|3,0,0]=4 3240 B15R2.24490 O=C(C=Cc1ccccn1)N2CCC2 11a_100000754969_100000740811 [0,0,0,1,0,0|2,0,0]=3 3241 B15R2.24490 O=C(C=Cc1ccccn1)N2CCC2 240690a_100000754969_100000740811 [0,0,0,1,0,0|2,0,0]=3 3242 B15R2.24490 O=C(C=Cc1cccnc1)C2CCC2 1458a_100000735890_100000749161 [0,0,0,1,0,0|3,0,0]=4 3243 B15R2.24490 O=C(C=Cc1cccnc1)N2CCC2 11a_100000754969_100000735890 [0,0,0,1,0,0|2,0,0]=3 3244 B15R2.24490 O=C(C=Cc1cccnc1)N2CCC2 240690a_100000754969_100000735890 [0,0,0,1,0,0|2,0,0]=3 3245 B15R2.24490 O=C(C=Cc1ccncc1)C2CCC2 1458a_100000682801_100000749161 [0,0,0,1,0,0|3,0,0]=4 3246 B15R2.24490 O=C(C=Cc1ccncc1)N2CCC2 240690a_100000754969_100000682801 [0,0,0,1,0,0|2,0,0]=3 3247 B15R2.24490 O=C(CCc1ccccc1)C2CCO2 1458a_100000089072_100000765856 [0,0,0,1,0,0|1,0,2]=4 3248 B15R2.24490 O=C(CCc1ccccc1)N2CCC2 11a_100000754969_100000185753 [0,0,0,1,0,0|1,0,2]=4 3249 B15R2.24490 O=C(CCc1ccccc1)N2CCC2 240690a_100000754969_100000185753 [0,0,0,1,0,0|1,0,2]=4 3250 B15R2.24490 O=C(CCc1ccccc1)N2CCC2 527a_100000754969_100000185753 [0,0,0,1,0,0|1,0,2]=4 3251 B15R2.24490 O=C(CNc1ccccc1)N2CCC2 34a_100000106764_100000185095 [0,0,0,1,0,0|2,0,1]=4 3252 B15R2.24490 O=C(COc1ccccc1)N2CCC2 11a_100000754969_100000186222 [0,0,0,1,0,0|2,0,1]=4 3253 B15R2.24490 O=C(COc1ccccc1)N2CCC2 240690a_100000754969_100000186222 [0,0,0,1,0,0|2,0,1]=4 3254 B15R2.24490 O=C(COc1ccccc1)N2CCC2 34a_100000210340_100000185095 [0,0,0,1,0,0|2,0,1]=4 3255 B15R2.24490 O=C(COc1ccccc1)N2CCC2 527a_100000754969_100000186222 [0,0,0,1,0,0|2,0,1]=4 3256 B15R2.24490 O=C(COc1ccccc1)N2CCC2 7a_100000210340_100000185095 [0,0,0,1,0,0|2,0,1]=4 3257 B15R2.24490 O=C(CSc1ccccc1)N2CCC2 11a_100000754969_100000211596 [0,0,0,1,0,0|2,0,1]=4 3258 B15R2.24490 O=C(CSc1ccccc1)N2CCC2 240690a_100000754969_100000211596 [0,0,0,1,0,0|2,0,1]=4 3259 B15R2.24490 O=C(CSc1ccccc1)N2CCC2 527a_100000754969_100000211596 [0,0,0,1,0,0|2,0,1]=4 3260 B15R2.24490 O=C(CSc1ccccc1)N2CCC2 62a_100000185095_100000041952 [0,0,0,1,0,0|2,0,1]=4 3261 B15R2.24490 O=C(CSc1ccccc1)N2CCC2 62a_100000719477_100000185095 [0,0,0,1,0,0|2,0,1]=4 3262 B15R2.24490 O=C(NCc1ccccc1)C2CCO2 11a_100015324214_100000089072 [0,0,0,1,0,0|2,0,1]=4 3263 B15R2.24490 O=C(NCc1ccccc1)C2CCO2 1626a_100015324214_100000089072 [0,0,0,1,0,0|2,0,1]=4 3264 B15R2.24490 O=C(NCc1ccccc1)C2CCO2 240690a_100015324214_100000089072 [0,0,0,1,0,0|2,0,1]=4 3265 B15R2.24490 O=C(NCc1ccccc1)C2CCO2 527a_100015324214_100000089072 [0,0,0,1,0,0|2,0,1]=4 3266 B15R2.24490 O=C(NCc1ccccc1)N2CCC2 2708a_100015324214_100000754969 [0,0,0,1,0,0|2,0,1]=4 3267 B15R2.24490 O=C(NCc1ccccc1)N2CCC2 273464a_100015324214_100000754969 [0,0,0,1,0,0|2,0,1]=4 3268 B15R2.24490 O=C(NNc1ccccc1)C2CCO2 22a_100015195140_100000089072 [0,0,0,1,0,0|3,0,0]=4 3269 B15R2.24494 O=C(C#Cc1ccccc1)CC2CO2 1458a_100000736102_100011216344 [0,0,0,1,0,0|1,0,2]=4 3270 B15R2.24494 O=C(C#Cc1ccccc1)C[C@@H]2CO2 1458a_100000736102_100000745022 [0,0,0,1,0,0|1,0,2]=4 3271 B15R2.24494 O=C(C#Cc1ccccc1)NC2CC2 240690a_100000212008_100000736102 [0,0,0,1,0,0|1,0,2]=4 3272 B15R2.24494 O=C(C=Cc1ccccc1)CC2CC2 1458a_100000210462_100000742324 [0,0,0,1,0,0|2,0,0]=3 3273 B15R2.24494 O=C(C=Cc1ccccc1)CC2CO2 1458a_100000210462_100011216344 [0,0,0,1,0,0|1,0,0]=2 3274 B15R2.24494 O=C(C=Cc1ccccc1)CC2CS2 1458a_100000210462_100000031435 [0,0,0,1,0,0|1,1,0]=3 3275 B15R2.24494 O=C(C=Cc1ccccc1)C[C@@H]2CO2 1458a_100000210462_100000745022 [0,0,0,1,0,0|1,0,0]=2 3276 B15R2.24494 O=C(C=Cc1ccccc1)NC2CC2 1626a_100000212008_100000210462 [0,0,0,1,0,0|1,0,0]=2 3277 B15R2.24494 O=C(C=Cc1ccccn1)CC2CC2 1458a_100000740811_100000742324 [0,0,0,1,0,0|3,0,0]=4 3278 B15R2.24494 O=C(C=Cc1ccccn1)CC2CO2 1458a_100000740811_100011216344 [0,0,0,1,0,0|2,0,0]=3 3279 B15R2.24494 O=C(C=Cc1ccccn1)CC2CS2 1458a_100000740811_100000031435 [0,0,0,1,0,0|2,1,0]=4 3280 B15R2.24494 O=C(C=Cc1ccccn1)C[C@@H]2CO2 1458a_100000740811_100000745022 [0,0,0,1,0,0|2,0,0]=3 3281 B15R2.24494 O=C(C=Cc1ccccn1)NC2CC2 240690a_100000212008_100000740811 [0,0,0,1,0,0|2,0,0]=3 3282 B15R2.24494 O=C(C=Cc1cccnc1)CC2CC2 1458a_100000735890_100000742324 [0,0,0,1,0,0|3,0,0]=4 3283 B15R2.24494 O=C(C=Cc1cccnc1)CC2CO2 1458a_100000735890_100011216344 [0,0,0,1,0,0|2,0,0]=3 3284 B15R2.24494 O=C(C=Cc1cccnc1)CC2CS2 1458a_100000735890_100000031435 [0,0,0,1,0,0|2,1,0]=4 3285 B15R2.24494 O=C(C=Cc1cccnc1)C[C@@H]2CO2 1458a_100000735890_100000745022 [0,0,0,1,0,0|2,0,0]=3 3286 B15R2.24494 O=C(C=Cc1cccnc1)NC2CC2 240690a_100000212008_100000735890 [0,0,0,1,0,0|2,0,0]=3 3287 B15R2.24494 O=C(C=Cc1ccncc1)CC2CC2 1458a_100000682801_100000742324 [0,0,0,1,0,0|3,0,0]=4 3288 B15R2.24494 O=C(C=Cc1ccncc1)CC2CO2 1458a_100000682801_100011216344 [0,0,0,1,0,0|2,0,0]=3 3289 B15R2.24494 O=C(C=Cc1ccncc1)CC2CS2 1458a_100000682801_100000031435 [0,0,0,1,0,0|2,1,0]=4 3290 B15R2.24494 O=C(C=Cc1ccncc1)C[C@@H]2CO2 1458a_100000682801_100000745022 [0,0,0,1,0,0|2,0,0]=3 3291 B15R2.24494 O=C(C=Cc1ccncc1)NC2CC2 240690a_100000212008_100000682801 [0,0,0,1,0,0|2,0,0]=3 3292 B15R2.24494 O=C(CCc1ccccc1)CC2CO2 1458a_100000185753_100011216344 [0,0,0,1,0,0|1,0,2]=4 3293 B15R2.24494 O=C(CCc1ccccc1)C[C@@H]2CO2 1458a_100000185753_100000745022 [0,0,0,1,0,0|1,0,2]=4 3294 B15R2.24494 O=C(CCc1ccccc1)NC2CC2 1626a_100000212008_100000185753 [0,0,0,1,0,0|1,0,2]=4 3295 B15R2.24494 O=C(CCc1ccccc1)NC2CC2 240690a_100000212008_100000185753 [0,0,0,1,0,0|1,0,2]=4 3296 B15R2.24494 O=C(CCc1ccccc1)NC2CC2 527a_100000212008_100000185753 [0,0,0,1,0,0|1,0,2]=4 3297 B15R2.24494 O=C(CNc1ccccc1)NC2CC2 34a_100000106764_100000182950 [0,0,0,1,0,0|2,0,1]=4 3298 B15R2.24494 O=C(COc1ccccc1)CC2CO2 1458a_100000186222_100011216344 [0,0,0,1,0,0|2,0,1]=4 3299 B15R2.24494 O=C(COc1ccccc1)C[C@@H]2CO2 1458a_100000186222_100000745022 [0,0,0,1,0,0|2,0,1]=4 3300 B15R2.24494 O=C(COc1ccccc1)NC2CC2 1626a_100000212008_100000186222 [0,0,0,1,0,0|2,0,1]=4 3301 B15R2.24494 O=C(COc1ccccc1)NC2CC2 240690a_100000212008_100000186222 [0,0,0,1,0,0|2,0,1]=4 3302 B15R2.24494 O=C(COc1ccccc1)NC2CC2 34a_100000210340_100000182950 [0,0,0,1,0,0|2,0,1]=4 3303 B15R2.24494 O=C(COc1ccccc1)NC2CC2 527a_100000212008_100000186222 [0,0,0,1,0,0|2,0,1]=4 3304 B15R2.24494 O=C(COc1ccccc1)NC2CC2 7a_100000210340_100000182950 [0,0,0,1,0,0|2,0,1]=4 3305 B15R2.24494 O=C(CSc1ccccc1)CC2CO2 1458a_100000211596_100011216344 [0,0,0,1,0,0|2,0,1]=4 3306 B15R2.24494 O=C(CSc1ccccc1)C[C@@H]2CO2 1458a_100000211596_100000745022 [0,0,0,1,0,0|2,0,1]=4 3307 B15R2.24494 O=C(CSc1ccccc1)NC2CC2 1626a_100000212008_100000211596 [0,0,0,1,0,0|2,0,1]=4 3308 B15R2.24494 O=C(CSc1ccccc1)NC2CC2 240690a_100000212008_100000211596 [0,0,0,1,0,0|2,0,1]=4 3309 B15R2.24494 O=C(CSc1ccccc1)NC2CC2 527a_100000212008_100000211596 [0,0,0,1,0,0|2,0,1]=4 3310 B15R2.24494 O=C(CSc1ccccc1)NC2CC2 62a_100000182950_100000041952 [0,0,0,1,0,0|2,0,1]=4 3311 B15R2.24494 O=C(CSc1ccccc1)NC2CC2 62a_100000719477_100000182950 [0,0,0,1,0,0|2,0,1]=4 3312 B15R2.24494 O=C(NCc1ccccc1)NC2CC2 2708a_100000212008_100015324214 [0,0,0,1,0,0|2,0,1]=4 3313 B15R2.24494 O=C(NCc1ccccc1)NC2CC2 2708a_100015324214_100000212008 [0,0,0,1,0,0|2,0,1]=4 3314 B15R2.24494 O=C(NCc1ccccc1)NC2CC2 273464a_100000212008_100015324214 [0,0,0,1,0,0|2,0,1]=4 3315 B15R2.24494 O=C(NCc1ccccc1)NC2CC2 273464a_100015324214_100000212008 [0,0,0,1,0,0|2,0,1]=4 3316 B15R2.24494 O=C(NCc1ccccc1)NC2CC2 512a_100000212008_100015324214 [0,0,0,1,0,0|2,0,1]=4 3317 B15R2.24494 O=C(NNc1ccccc1)NC2CC2 273464a_100000212008_100015195140 [0,0,0,1,0,0|3,0,0]=4 3318 B15R2.24494 O=C(NNc1ccccc1)NC2CC2 512a_100000212008_100015195140 [0,0,0,1,0,0|3,0,0]=4 3319 B15R2.92869 CCCNC(=O)C1Cc2c1cccc2 11a_100020643023_200000238571 [0,0,0,1,0,0|1,0,2]=4 3320 B15R2.92869 CCCNC(=O)C1Cc2c1cccc2 1626a_100020643023_200000238571 [0,0,0,1,0,0|1,0,2]=4 3321 B15R2.92869 CCCNC(=O)C1Cc2c1cccc2 240690a_100020643023_200000238571 [0,0,0,1,0,0|1,0,2]=4 3322 B15R2.92869 CCCNC(=O)C1Cc2c1cccc2 527a_100020643023_200000238571 [0,0,0,1,0,0|1,0,2]=4 3323 B15R2.92869 O=C(CCCO)C1Cc2c1cccc2 1458a_200000238571_100011215043 [0,0,0,1,0,0|1,0,2]=4 3324 B15R2.92869 O=C(NCCF)C1Cc2c1cccc2 11a_100000724931_200000238571 [0,0,0,1,0,0|1,0,2]=4 3325 B15R2.92869 O=C(NCCF)C1Cc2c1cccc2 1626a_100000724931_200000238571 [0,0,0,1,0,0|1,0,2]=4 3326 B15R2.92869 O=C(NCCF)C1Cc2c1cccc2 240690a_100000724931_200000238571 [0,0,0,1,0,0|1,0,2]=4 3327 B15R2.92869 O=C(NCCF)C1Cc2c1cccc2 527a_100000724931_200000238571 [0,0,0,1,0,0|1,0,2]=4 3328 B15R2.92869 O=C(NCCO)C1Cc2c1cccc2 240690a_100000210304_200000238571 [0,0,0,1,0,0|0,0,2]=3 3329 B15R2.92869 O=C(NCCO)C1Cc2c1cccc2 527a_100000210304_200000238571 [0,0,0,1,0,0|0,0,2]=3 3330 B13R1.44 C#CCNC(=O)Nc1ccccc1 2430a_100000106764_100000212058 [0,0,0,0,1,0|2,0,1]=4 3331 B13R1.44 C=CCNC(=O)Nc1ccccc1 2430a_100000106764_100020586998 [0,0,0,0,1,0|2,0,1]=4 3332 B13R1.44 CC(Cc1ccccc1)NCCO 34a_100016990907_200011218536 [0,0,0,0,1,0|1,0,2]=4 3333 B13R1.44 CCCCC(=Cc1ccccc1)Br 271570a_206741709834_100000210277 [0,0,0,0,1,0|3,0,0]=4 3334 B13R1.44 CCCCC(=O)Cc1ccccc1 1458a_100000210183_100015291786 [0,0,0,0,1,0|2,0,1]=4 3335 B13R1.44 CCCCC(=O)Nc1ccccc1 11a_100000106764_100000210183 [0,0,0,0,1,0|3,0,0]=4 3336 B13R1.44 CCCCC(=O)Nc1ccccc1 1626a_100000106764_100000210183 [0,0,0,0,1,0|3,0,0]=4 3337 B13R1.44 CCCCC(=O)Nc1ccccc1 22a_100000106764_100000210183 [0,0,0,0,1,0|3,0,0]=4 3338 B13R1.44 CCCCC(=O)Nc1ccccc1 527a_100000106764_100000210183 [0,0,0,0,1,0|3,0,0]=4 3339 B13R1.44 CCCNC(=O)C[n+]1ccccc1 11a_100020643023_200000086051 [0,0,0,0,1,0|2,0,1]=4 3340 B13R1.44 CCCNC(=O)C[n+]1ccccc1 240690a_100020643023_200000086051 [0,0,0,0,1,0|2,0,1]=4 3341 B13R1.44 CCCNC(=O)C[n+]1ccccc1 527a_100020643023_200000086051 [0,0,0,0,1,0|2,0,1]=4 3342 B13R1.44 CCCNC(=O)Cc1ccccn1 11a_100020643023_100000233486 [0,0,0,0,1,0|2,0,1]=4 3343 B13R1.44 CCCNC(=O)Cc1cccnc1 11a_100020643023_100000737805 [0,0,0,0,1,0|2,0,1]=4 3344 B13R1.44 CCCNC(=O)Cc1cccnc1 240690a_100020643023_100000737805 [0,0,0,0,1,0|2,0,1]=4 3345 B13R1.44 CCCNC(=O)Cc1cccnc1 527a_100020643023_100000737805 [0,0,0,0,1,0|2,0,1]=4 3346 B13R1.44 CCCNC(=O)Cc1ccncc1 11a_100020643023_100011201483 [0,0,0,0,1,0|2,0,1]=4 3347 B13R1.44 CCCNC(=O)Cc1ccncc1 240690a_100020643023_100011201483 [0,0,0,0,1,0|2,0,1]=4 3348 B13R1.44 CCCNC(=O)Nc1ccccc1 2430a_100000106764_100020643023 [0,0,0,0,1,0|2,0,0]=3 3349 B13R1.44 N#CCNC(=O)Nc1ccccc1 2430a_100000106764_100000734998 [0,0,0,0,1,0|2,0,1]=4 3350 B13R1.44 O=C(C#CCO)Cc1ccccc1 1458a_100000049017_100015291786 [0,0,0,0,1,0|1,0,2]=4 3351 B13R1.44 O=C(CCCO)C[n+]1ccccc1 1458a_200000086051_100011215043 [0,0,0,0,1,0|2,0,1]=4 3352 B13R1.44 O=C(CCCO)Cc1ccccn1 1458a_100000233486_100011215043 [0,0,0,0,1,0|2,0,1]=4 3353 B13R1.44 O=C(CCCO)Cc1cccnc1 1458a_100000737805_100011215043 [0,0,0,0,1,0|2,0,1]=4 3354 B13R1.44 O=C(C[n+]1ccccc1)NCCF 11a_100000724931_200000086051 [0,0,0,0,1,0|2,0,1]=4 3355 B13R1.44 O=C(C[n+]1ccccc1)NCCF 240690a_100000724931_200000086051 [0,0,0,0,1,0|2,0,1]=4 3356 B13R1.44 O=C(C[n+]1ccccc1)NCCF 527a_100000724931_200000086051 [0,0,0,0,1,0|2,0,1]=4 3357 B13R1.44 O=C(C[n+]1ccccc1)NCCO 240690a_100000210304_200000086051 [0,0,0,0,1,0|1,0,1]=3 3358 B13R1.44 O=C(C[n+]1ccccc1)NCCO 527a_100000210304_200000086051 [0,0,0,0,1,0|1,0,1]=3 3359 B13R1.44 O=C(Cc1ccccn1)NCCF 11a_100000724931_100000233486 [0,0,0,0,1,0|2,0,1]=4 3360 B13R1.44 O=C(Cc1cccnc1)NCCF 11a_100000724931_100000737805 [0,0,0,0,1,0|2,0,1]=4 3361 B13R1.44 O=C(Cc1cccnc1)NCCF 240690a_100000724931_100000737805 [0,0,0,0,1,0|2,0,1]=4 3362 B13R1.44 O=C(Cc1cccnc1)NCCF 527a_100000724931_100000737805 [0,0,0,0,1,0|2,0,1]=4 3363 B13R1.44 O=C(Cc1cccnc1)NCCO 240690a_100000210304_100000737805 [0,0,0,0,1,0|1,0,1]=3 3364 B13R1.44 O=C(Cc1cccnc1)NCCO 527a_100000210304_100000737805 [0,0,0,0,1,0|1,0,1]=3 3365 B13R1.44 O=C(Cc1ccncc1)NCCF 11a_100000724931_100011201483 [0,0,0,0,1,0|2,0,1]=4 3366 B13R1.44 O=C(Cc1ccncc1)NCCF 240690a_100000724931_100011201483 [0,0,0,0,1,0|2,0,1]=4 3367 B13R1.44 O=C(Cc1ccncc1)NCCO 240690a_100000210304_100011201483 [0,0,0,0,1,0|1,0,1]=3 3368 B13R1.44 O=C(Cc1cnccn1)NCCO 240690a_100000210304_100000726051 [0,0,0,0,1,0|2,0,1]=4 3369 B13R1.44 O=C(Cc1cnccn1)NCCO 527a_100000210304_100000726051 [0,0,0,0,1,0|2,0,1]=4 3370 B13R1.44 O=C(Cc1cncnc1)NCCO 240690a_100000210304_100000721575 [0,0,0,0,1,0|2,0,1]=4 3371 B13R1.44 O=C(Cc1cncnc1)NCCO 527a_100000210304_100000721575 [0,0,0,0,1,0|2,0,1]=4 3372 B13R1.44 O=C(NCCF)Nc1ccccc1 2430a_100000106764_100000724931 [0,0,0,0,1,0|2,0,0]=3 3373 B13R1.44 O=C(NCCO)Nc1ccccc1 2430a_100000106764_100000210304 [0,0,0,0,1,0|1,0,0]=2 3374 B13R1.153 C#CCNC(=O)C=Cc1cccs1 11a_100000212058_100000182767 [0,0,0,0,1,0|2,0,1]=4 3375 B13R1.153 C#CCNC(=O)C=Cc1cccs1 1626a_100000212058_100000182767 [0,0,0,0,1,0|2,0,1]=4 3376 B13R1.153 C#CCNC(=O)C=Cc1cccs1 240690a_100000212058_100000182767 [0,0,0,0,1,0|2,0,1]=4 3377 B13R1.153 C#CCNC(=O)C=Cc1ccoc1 11a_100000212058_100000238621 [0,0,0,0,1,0|2,0,1]=4 3378 B13R1.153 C#CCNC(=O)C=Cc1ccoc1 1626a_100000212058_100000238621 [0,0,0,0,1,0|2,0,1]=4 3379 B13R1.153 C#CCNC(=O)C=Cc1ccoc1 240690a_100000212058_100000238621 [0,0,0,0,1,0|2,0,1]=4 3380 B13R1.153 C#CCNC(=O)C=Cc1ccsc1 11a_100000212058_100000698588 [0,0,0,0,1,0|2,0,1]=4 3381 B13R1.153 C#CCNC(=O)C=Cc1ccsc1 1626a_100000212058_100000698588 [0,0,0,0,1,0|2,0,1]=4 3382 B13R1.153 C#CCNC(=O)C=Cc1ccsc1 240690a_100000212058_100000698588 [0,0,0,0,1,0|2,0,1]=4 3383 B13R1.153 C#CCNC(=O)C=Cc1ccsc1 527a_100000212058_100000698588 [0,0,0,0,1,0|2,0,1]=4 3384 B13R1.153 C=CCNC(=O)C=Cc1cccs1 1626a_100020586998_100000182767 [0,0,0,0,1,0|2,0,1]=4 3385 B13R1.153 C=CCNC(=O)C=Cc1cccs1 240690a_100020586998_100000182767 [0,0,0,0,1,0|2,0,1]=4 3386 B13R1.153 C=CCNC(=O)C=Cc1ccoc1 1626a_100020586998_100000238621 [0,0,0,0,1,0|2,0,1]=4 3387 B13R1.153 C=CCNC(=O)C=Cc1ccoc1 240690a_100020586998_100000238621 [0,0,0,0,1,0|2,0,1]=4 3388 B13R1.153 C=CCNC(=O)C=Cc1ccsc1 1626a_100020586998_100000698588 [0,0,0,0,1,0|2,0,1]=4 3389 B13R1.153 C=CCNC(=O)C=Cc1ccsc1 240690a_100020586998_100000698588 [0,0,0,0,1,0|2,0,1]=4 3390 B13R1.153 C=CCNC(=O)C=Cc1ccsc1 527a_100020586998_100000698588 [0,0,0,0,1,0|2,0,1]=4 3391 B13R1.153 CCCCC(=O)C=Cc1cccs1 1458a_100000182767_100000210211 [0,0,0,0,1,0|3,0,0]=4 3392 B13R1.153 CCCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210211 [0,0,0,0,1,0|3,0,0]=4 3393 B13R1.153 CCCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210211 [0,0,0,0,1,0|3,0,0]=4 3394 B13R1.153 CCCNC(=O)C=Cc1c[nH]cn1 240690a_100020643023_100102678534 [0,0,0,0,1,0|3,0,0]=4 3395 B13R1.153 CCCNC(=O)C=Cc1cccs1 11a_100020643023_100000182767 [0,0,0,0,1,0|2,0,0]=3 3396 B13R1.153 CCCNC(=O)C=Cc1cccs1 1626a_100020643023_100000182767 [0,0,0,0,1,0|2,0,0]=3 3397 B13R1.153 CCCNC(=O)C=Cc1cccs1 240690a_100020643023_100000182767 [0,0,0,0,1,0|2,0,0]=3 3398 B13R1.153 CCCNC(=O)C=Cc1ccoc1 11a_100020643023_100000238621 [0,0,0,0,1,0|2,0,0]=3 3399 B13R1.153 CCCNC(=O)C=Cc1ccoc1 1626a_100020643023_100000238621 [0,0,0,0,1,0|2,0,0]=3 3400 B13R1.153 CCCNC(=O)C=Cc1ccoc1 240690a_100020643023_100000238621 [0,0,0,0,1,0|2,0,0]=3 3401 B13R1.153 CCCNC(=O)C=Cc1ccsc1 11a_100020643023_100000698588 [0,0,0,0,1,0|2,0,0]=3 3402 B13R1.153 CCCNC(=O)C=Cc1ccsc1 1626a_100020643023_100000698588 [0,0,0,0,1,0|2,0,0]=3 3403 B13R1.153 CCCNC(=O)C=Cc1ccsc1 240690a_100020643023_100000698588 [0,0,0,0,1,0|2,0,0]=3 3404 B13R1.153 CCCNC(=O)C=Cc1ccsc1 527a_100020643023_100000698588 [0,0,0,0,1,0|2,0,0]=3 3405 B13R1.153 CCCNC(=O)C=Cc1cscn1 11a_100020643023_200000747928 [0,0,0,0,1,0|3,0,0]=4 3406 B13R1.153 CCCNC(=O)C=Cc1cscn1 1626a_100020643023_200000747928 [0,0,0,0,1,0|3,0,0]=4 3407 B13R1.153 CCCNC(=O)C=Cc1cscn1 240690a_100020643023_200000747928 [0,0,0,0,1,0|3,0,0]=4 3408 B13R1.153 CCCNC(=O)C=Cc1nccs1 11a_100020643023_100102558208 [0,0,0,0,1,0|3,0,0]=4 3409 B13R1.153 CCCNC(=O)C=Cc1nccs1 240690a_100020643023_100102558208 [0,0,0,0,1,0|3,0,0]=4 3410 B13R1.153 CCNNC(=O)C=Cc1ccco1 22a_100000756455_100000720202 [0,0,0,0,1,0|3,0,0]=4 3411 B13R1.153 CCNNC(=O)C=Cc1cccs1 22a_100000756455_100000182767 [0,0,0,0,1,0|3,0,0]=4 3412 B13R1.153 CCNNC(=O)C=Cc1ccoc1 22a_100000756455_100000238621 [0,0,0,0,1,0|3,0,0]=4 3413 B13R1.153 CCNNC(=O)C=Cc1ccsc1 22a_100000756455_100000698588 [0,0,0,0,1,0|3,0,0]=4 3414 B13R1.153 N#CCNC(=O)C=Cc1cccs1 1626a_100000734998_100000182767 [0,0,0,0,1,0|2,0,1]=4 3415 B13R1.153 N#CCNC(=O)C=Cc1ccoc1 1626a_100000734998_100000238621 [0,0,0,0,1,0|2,0,1]=4 3416 B13R1.153 N#CCNC(=O)C=Cc1ccsc1 1626a_100000734998_100000698588 [0,0,0,0,1,0|2,0,1]=4 3417 B13R1.153 N#CCNC(=O)C=Cc1ccsc1 527a_100000734998_100000698588 [0,0,0,0,1,0|2,0,1]=4 3418 B13R1.153 O=C(C=CC1=CCCC1)NCCO 240690a_100000210304_100016262312 [0,0,0,0,1,0|0,0,3]=4 3419 B13R1.153 O=C(C=Cc1c[nH]cn1)CCCO 1458a_100102678534_100011215043 [0,0,0,0,1,0|3,0,0]=4 3420 B13R1.153 O=C(C=Cc1c[nH]cn1)NCCF 240690a_100000724931_100102678534 [0,0,0,0,1,0|3,0,0]=4 3421 B13R1.153 O=C(C=Cc1c[nH]cn1)NCCO 240690a_100000210304_100102678534 [0,0,0,0,1,0|2,0,0]=3 3422 B13R1.153 O=C(C=Cc1cccs1)CCCF 1458a_100000182767_100011934791 [0,0,0,0,1,0|3,0,0]=4 3423 B13R1.153 O=C(C=Cc1cccs1)CCCO 1458a_100000182767_100011215043 [0,0,0,0,1,0|2,0,0]=3 3424 B13R1.153 O=C(C=Cc1cccs1)NCCF 11a_100000724931_100000182767 [0,0,0,0,1,0|2,0,0]=3 3425 B13R1.153 O=C(C=Cc1cccs1)NCCF 1626a_100000724931_100000182767 [0,0,0,0,1,0|2,0,0]=3 3426 B13R1.153 O=C(C=Cc1cccs1)NCCF 240690a_100000724931_100000182767 [0,0,0,0,1,0|2,0,0]=3 3427 B13R1.153 O=C(C=Cc1cccs1)NCCO 240690a_100000210304_100000182767 [0,0,0,0,1,0|1,0,0]=2 3428 B13R1.153 O=C(C=Cc1ccoc1)CCCF 1458a_100000238621_100011934791 [0,0,0,0,1,0|3,0,0]=4 3429 B13R1.153 O=C(C=Cc1ccoc1)CCCO 1458a_100000238621_100011215043 [0,0,0,0,1,0|2,0,0]=3 3430 B13R1.153 O=C(C=Cc1ccoc1)NCCF 11a_100000724931_100000238621 [0,0,0,0,1,0|2,0,0]=3 3431 B13R1.153 O=C(C=Cc1ccoc1)NCCF 1626a_100000724931_100000238621 [0,0,0,0,1,0|2,0,0]=3 3432 B13R1.153 O=C(C=Cc1ccoc1)NCCF 240690a_100000724931_100000238621 [0,0,0,0,1,0|2,0,0]=3 3433 B13R1.153 O=C(C=Cc1ccoc1)NCCO 240690a_100000210304_100000238621 [0,0,0,0,1,0|1,0,0]=2 3434 B13R1.153 O=C(C=Cc1ccsc1)CCCF 1458a_100000698588_100011934791 [0,0,0,0,1,0|3,0,0]=4 3435 B13R1.153 O=C(C=Cc1ccsc1)CCCO 1458a_100000698588_100011215043 [0,0,0,0,1,0|2,0,0]=3 3436 B13R1.153 O=C(C=Cc1ccsc1)NCCF 11a_100000724931_100000698588 [0,0,0,0,1,0|2,0,0]=3 3437 B13R1.153 O=C(C=Cc1ccsc1)NCCF 1626a_100000724931_100000698588 [0,0,0,0,1,0|2,0,0]=3 3438 B13R1.153 O=C(C=Cc1ccsc1)NCCF 240690a_100000724931_100000698588 [0,0,0,0,1,0|2,0,0]=3 3439 B13R1.153 O=C(C=Cc1ccsc1)NCCF 527a_100000724931_100000698588 [0,0,0,0,1,0|2,0,0]=3 3440 B13R1.153 O=C(C=Cc1ccsc1)NCCO 240690a_100000210304_100000698588 [0,0,0,0,1,0|1,0,0]=2 3441 B13R1.153 O=C(C=Cc1ccsc1)NCCO 527a_100000210304_100000698588 [0,0,0,0,1,0|1,0,0]=2 3442 B13R1.153 O=C(C=Cc1cscn1)CCCO 1458a_200000747928_100011215043 [0,0,0,0,1,0|3,0,0]=4 3443 B13R1.153 O=C(C=Cc1cscn1)NCCF 11a_100000724931_200000747928 [0,0,0,0,1,0|3,0,0]=4 3444 B13R1.153 O=C(C=Cc1cscn1)NCCF 1626a_100000724931_200000747928 [0,0,0,0,1,0|3,0,0]=4 3445 B13R1.153 O=C(C=Cc1cscn1)NCCF 240690a_100000724931_200000747928 [0,0,0,0,1,0|3,0,0]=4 3446 B13R1.153 O=C(C=Cc1cscn1)NCCO 240690a_100000210304_200000747928 [0,0,0,0,1,0|2,0,0]=3 3447 B13R1.153 O=C(C=Cc1nccs1)CCCO 1458a_100102558208_100011215043 [0,0,0,0,1,0|3,0,0]=4 3448 B13R1.153 O=C(C=Cc1nccs1)NCCF 11a_100000724931_100102558208 [0,0,0,0,1,0|3,0,0]=4 3449 B13R1.153 O=C(C=Cc1nccs1)NCCF 240690a_100000724931_100102558208 [0,0,0,0,1,0|3,0,0]=4 3450 B13R1.153 O=C(C=Cc1nccs1)NCCO 240690a_100000210304_100102558208 [0,0,0,0,1,0|2,0,0]=3 3451 B13R1.153 O=C(CCc1cc[nH]c1)NCCO 240690a_100000210304_200000093579 [0,0,0,0,1,0|1,0,2]=4 3452 B13R1.153 O=C(CCc1cc[nH]c1)NCCO 527a_100000210304_200000093579 [0,0,0,0,1,0|1,0,2]=4 3453 B13R1.153 O=C(CCc1ccc[nH]1)NCCO 240690a_100000210304_200011998680 [0,0,0,0,1,0|1,0,2]=4 3454 B13R1.153 O=C(CCc1ccc[nH]1)NCCO 527a_100000210304_200011998680 [0,0,0,0,1,0|1,0,2]=4 3455 B13R1.153 O=C(CCc1ccco1)NCCO 527a_100000210304_100000185103 [0,0,0,0,1,0|1,0,2]=4 3456 B13R1.153 O=C(CCc1cccs1)NCCO 240690a_100000210304_100000185280 [0,0,0,0,1,0|1,0,2]=4 3457 B13R1.153 O=C(CCc1cccs1)NCCO 527a_100000210304_100000185280 [0,0,0,0,1,0|1,0,2]=4 3458 B13R1.153 O=C(CCc1ccsc1)NCCO 240690a_100000210304_100000195497 [0,0,0,0,1,0|1,0,2]=4 3459 B13R1.153 O=C(CCc1ccsc1)NCCO 527a_100000210304_100000195497 [0,0,0,0,1,0|1,0,2]=4 3460 B13R1.153 O=C(CCn1cccc1)NCCO 527a_100000210304_100011196273 [0,0,0,0,1,0|1,0,2]=4 3461 B13R1.153 O=C(NCCO)NCc1ccc[nH]1 273464a_100000210304_100000764082 [0,0,0,0,1,0|2,0,1]=4 3462 B13R1.153 O=C(NCCO)NCc1ccc[nH]1 273464a_100000764082_100000210304 [0,0,0,0,1,0|2,0,1]=4 3463 B13R1.153 O=C(NCCO)NCc1ccco1 2708a_100000185738_100000210304 [0,0,0,0,1,0|2,0,1]=4 3464 B13R1.153 O=C(NCCO)NCc1ccco1 273464a_100000185738_100000210304 [0,0,0,0,1,0|2,0,1]=4 3465 B13R1.153 O=C(NCCO)NCc1ccco1 512a_100000185738_100000210304 [0,0,0,0,1,0|2,0,1]=4 3466 B13R1.153 O=C(NCCO)NCc1cccs1 2708a_100000211653_100000210304 [0,0,0,0,1,0|2,0,1]=4 3467 B13R1.153 O=C(NCCO)NCc1cccs1 273464a_100000210304_100000211653 [0,0,0,0,1,0|2,0,1]=4 3468 B13R1.153 O=C(NCCO)NCc1cccs1 273464a_100000211653_100000210304 [0,0,0,0,1,0|2,0,1]=4 3469 B13R1.153 O=C(NCCO)NCc1cccs1 512a_100000211653_100000210304 [0,0,0,0,1,0|2,0,1]=4 3470 B13R1.153 O=C(NCCO)NCc1ccoc1 2708a_100015206860_100000210304 [0,0,0,0,1,0|2,0,1]=4 3471 B13R1.153 O=C(NCCO)NCc1ccoc1 273464a_100000210304_100015206860 [0,0,0,0,1,0|2,0,1]=4 3472 B13R1.153 O=C(NCCO)NCc1ccoc1 273464a_100015206860_100000210304 [0,0,0,0,1,0|2,0,1]=4 3473 B13R1.153 O=C(NCCO)NCc1ccoc1 512a_100015206860_100000210304 [0,0,0,0,1,0|2,0,1]=4 3474 B13R1.153 O=C(NCCO)NCc1ccsc1 2708a_100000186416_100000210304 [0,0,0,0,1,0|2,0,1]=4 3475 B13R1.153 O=C(NCCO)NCc1ccsc1 273464a_100000186416_100000210304 [0,0,0,0,1,0|2,0,1]=4 3476 B13R1.153 O=C(NCCO)NCc1ccsc1 273464a_100000210304_100000186416 [0,0,0,0,1,0|2,0,1]=4 3477 B13R1.153 O=C(NCCO)NCc1ccsc1 512a_100000186416_100000210304 [0,0,0,0,1,0|2,0,1]=4 3478 B15R1.157 C#CCCC(=O)C/C=C/c1ccccc1 1458a_100000692101_100016265936 [0,0,0,0,0,1|2,0,1]=4 3479 B15R1.157 C#CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000753159 [0,0,0,0,0,1|2,0,1]=4 3480 B15R1.157 C#CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000753159 [0,0,0,0,0,1|2,0,1]=4 3481 B15R1.157 C#CCNC(=O)C/C=C/c1ccccc1 11a_100000212058_100011219626 [0,0,0,0,0,1|1,0,1]=3 3482 B15R1.157 C#CCNC(=O)C/C=C/c1ccccc1 1626a_100000212058_100011219626 [0,0,0,0,0,1|1,0,1]=3 3483 B15R1.157 C#CCNC(=O)C/C=C/c1ccccc1 240690a_100000212058_100011219626 [0,0,0,0,0,1|1,0,1]=3 3484 B15R1.157 C#CCNC(=O)C=CSc1ccccc1 11a_100000212058_100016262050 [0,0,0,0,0,1|1,0,1]=3 3485 B15R1.157 C#CCNC(=O)C=CSc1ccccc1 1626a_100000212058_100016262050 [0,0,0,0,0,1|1,0,1]=3 3486 B15R1.157 C#CCNC(=O)C=CSc1ccccc1 240690a_100000212058_100016262050 [0,0,0,0,0,1|1,0,1]=3 3487 B15R1.157 C=CCCC(=O)C/C=C/c1ccccc1 1458a_100000749702_100016265936 [0,0,0,0,0,1|2,0,1]=4 3488 B15R1.157 C=CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000754431 [0,0,0,0,0,1|2,0,1]=4 3489 B15R1.157 C=CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000754431 [0,0,0,0,0,1|2,0,1]=4 3490 B15R1.157 C=CCNC(=O)C/C=C/c1ccccc1 1626a_100020586998_100011219626 [0,0,0,0,0,1|1,0,1]=3 3491 B15R1.157 C=CCNC(=O)C/C=C/c1ccccc1 240690a_100020586998_100011219626 [0,0,0,0,0,1|1,0,1]=3 3492 B15R1.157 C=CCNC(=O)C=CSc1ccccc1 1626a_100020586998_100016262050 [0,0,0,0,0,1|1,0,1]=3 3493 B15R1.157 C=CCNC(=O)C=CSc1ccccc1 240690a_100020586998_100016262050 [0,0,0,0,0,1|1,0,1]=3 3494 B15R1.157 CCC#CC(=O)C/C=C/c1ccccc1 1458a_100011827653_100016265936 [0,0,0,0,0,1|2,0,1]=4 3495 B15R1.157 CCC=CC(=O)C/C=C/c1ccccc1 1458a_100000212282_100016265936 [0,0,0,0,0,1|2,0,1]=4 3496 B15R1.157 CCCCC(=O)C/C=C/c1ccccc1 1458a_100000210183_100016265936 [0,0,0,0,0,1|2,0,0]=3 3497 B15R1.157 CCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210211 [0,0,0,0,0,1|2,0,0]=3 3498 B15R1.157 CCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210211 [0,0,0,0,0,1|2,0,0]=3 3499 B15R1.157 CCCCC(=O)NN=Cc1ccccc1 4a_100000189769_100015611070 [0,0,0,0,0,1|3,0,0]=4 3500 B15R1.157 CCCNC(=O)C/C=C/c1ccccc1 11a_100020643023_100011219626 [0,0,0,0,0,1|1,0,0]=2 3501 B15R1.157 CCCNC(=O)C/C=C/c1ccccc1 1626a_100020643023_100011219626 [0,0,0,0,0,1|1,0,0]=2 3502 B15R1.157 CCCNC(=O)C/C=C/c1ccccc1 240690a_100020643023_100011219626 [0,0,0,0,0,1|1,0,0]=2 3503 B15R1.157 CCCNC(=O)C=CSc1ccccc1 11a_100020643023_100016262050 [0,0,0,0,0,1|1,0,0]=2 3504 B15R1.157 CCCNC(=O)C=CSc1ccccc1 1626a_100020643023_100016262050 [0,0,0,0,0,1|1,0,0]=2 3505 B15R1.157 CCCNC(=O)C=CSc1ccccc1 240690a_100020643023_100016262050 [0,0,0,0,0,1|1,0,0]=2 3506 B15R1.157 CCCNC(=O)CCCc1ccccc1 11a_100020643023_100011207963 [0,0,0,0,0,1|1,0,2]=4 3507 B15R1.157 CCCNC(=O)CCCc1ccccc1 1626a_100020643023_100011207963 [0,0,0,0,0,1|1,0,2]=4 3508 B15R1.157 CCCNC(=O)CCCc1ccccc1 240690a_100020643023_100011207963 [0,0,0,0,0,1|1,0,2]=4 3509 B15R1.157 CCCNC(=O)CCCc1ccccc1 527a_100020643023_100011207963 [0,0,0,0,0,1|1,0,2]=4 3510 B15R1.157 CCCNC(=O)CCOc1ccccc1 11a_100020643023_100000182761 [0,0,0,0,0,1|1,0,2]=4 3511 B15R1.157 CCCNC(=O)CCOc1ccccc1 1626a_100020643023_100000182761 [0,0,0,0,0,1|1,0,2]=4 3512 B15R1.157 CCCNC(=O)CCOc1ccccc1 240690a_100020643023_100000182761 [0,0,0,0,0,1|1,0,2]=4 3513 B15R1.157 CCCNC(=O)CCSc1ccccc1 11a_100020643023_100000182436 [0,0,0,0,0,1|1,0,2]=4 3514 B15R1.157 CCCNC(=O)CCSc1ccccc1 1626a_100020643023_100000182436 [0,0,0,0,0,1|1,0,2]=4 3515 B15R1.157 CCCNC(=O)CCSc1ccccc1 240690a_100020643023_100000182436 [0,0,0,0,0,1|1,0,2]=4 3516 B15R1.157 CCCNC(=O)CNCc1ccccc1 2230a_100000174927_100015291786 [0,0,0,0,0,1|1,0,2]=4 3517 B15R1.157 CCCNC(=O)CNCc1ccccc1 2230a_100015324214_100000183358 [0,0,0,0,0,1|1,0,2]=4 3518 B15R1.157 CCCNC(=O)CNCc1ccccc1 270004a_100000174927_100015611070 [0,0,0,0,0,1|1,0,2]=4 3519 B15R1.157 CCCNC(=O)CNCc1ccccc1 34a_100015324214_100000183358 [0,0,0,0,0,1|1,0,2]=4 3520 B15R1.157 CCCNC(=O)COCc1ccccc1 11a_100020643023_100000230186 [0,0,0,0,0,1|1,0,2]=4 3521 B15R1.157 CCCNC(=O)COCc1ccccc1 1626a_100020643023_100000230186 [0,0,0,0,0,1|1,0,2]=4 3522 B15R1.157 CCCNC(=O)COCc1ccccc1 240690a_100020643023_100000230186 [0,0,0,0,0,1|1,0,2]=4 3523 B15R1.157 CCCNC(=O)COCc1ccccc1 34a_100000210790_100000183358 [0,0,0,0,0,1|1,0,2]=4 3524 B15R1.157 CCCNC(=O)COCc1ccccc1 527a_100020643023_100000230186 [0,0,0,0,0,1|1,0,2]=4 3525 B15R1.157 CCCNC(=O)COCc1ccccc1 7a_100000210790_100000183358 [0,0,0,0,0,1|1,0,2]=4 3526 B15R1.157 CCCNC(=O)CSCc1ccccc1 11a_100020643023_100000150264 [0,0,0,0,0,1|1,0,2]=4 3527 B15R1.157 CCCNC(=O)CSCc1ccccc1 1626a_100020643023_100000150264 [0,0,0,0,0,1|1,0,2]=4 3528 B15R1.157 CCCNC(=O)CSCc1ccccc1 240690a_100020643023_100000150264 [0,0,0,0,0,1|1,0,2]=4 3529 B15R1.157 CCCNC(=O)CSCc1ccccc1 527a_100020643023_100000150264 [0,0,0,0,0,1|1,0,2]=4 3530 B15R1.157 CCCNC(=O)CSCc1ccccc1 62a_100000183358_100015291786 [0,0,0,0,0,1|1,0,2]=4 3531 B15R1.157 CCCNC(=O)CSCc1ccccc1 62a_100000211182_100000183358 [0,0,0,0,0,1|1,0,2]=4 3532 B15R1.157 CCCNC(=O)NCCc1ccccc1 2708a_100000106460_100020643023 [0,0,0,0,0,1|1,0,2]=4 3533 B15R1.157 CCCNC(=O)NCCc1ccccc1 2708a_100020643023_100000106460 [0,0,0,0,0,1|1,0,2]=4 3534 B15R1.157 CCCNC(=O)NCCc1ccccc1 273464a_100000106460_100020643023 [0,0,0,0,0,1|1,0,2]=4 3535 B15R1.157 CCCNC(=O)NCCc1ccccc1 273464a_100020643023_100000106460 [0,0,0,0,0,1|1,0,2]=4 3536 B15R1.157 CCCNC(=O)NCCc1ccccc1 512a_100000106460_100020643023 [0,0,0,0,0,1|1,0,2]=4 3537 B15R1.157 CCCNC(=O)NCCc1ccccc1 512a_100020643023_100000106460 [0,0,0,0,0,1|1,0,2]=4 3538 B15R1.157 CCCNC(=O)NNCc1ccccc1 273464a_100020643023_100000007032 [0,0,0,0,0,1|2,0,1]=4 3539 B15R1.157 CCCNC(=O)NNCc1ccccc1 512a_100020643023_100000007032 [0,0,0,0,0,1|2,0,1]=4 3540 B15R1.157 CCNNC(=O)C/C=C/c1ccccc1 22a_100000756455_100011219626 [0,0,0,0,0,1|2,0,0]=3 3541 B15R1.157 CCNNC(=O)C=CSc1ccccc1 22a_100000756455_100016262050 [0,0,0,0,0,1|2,0,0]=3 3542 B15R1.157 CCOCC(=O)C/C=C/c1ccccc1 1458a_100000211967_100016265936 [0,0,0,0,0,1|3,0,0]=4 3543 B15R1.157 CCSCC(=O)C/C=C/c1ccccc1 1458a_100000230394_100016265936 [0,0,0,0,0,1|3,0,0]=4 3544 B15R1.157 CN(C/C=C/c1ccccc1)CCCO 2230a_100000213112_100016265936 [0,0,0,0,0,1|3,0,0]=4 3545 B15R1.157 CN(C/C=C/c1ccccc1)CCCO 2230a_100020603576_200000210301 [0,0,0,0,0,1|3,0,0]=4 3546 B15R1.157 CN(C/C=C/c1ccccc1)CCCO 269982a_100000213112_100016265936 [0,0,0,0,0,1|3,0,0]=4 3547 B15R1.157 CN(C/C=C/c1ccccc1)CCCO 269982a_100020603576_200000210301 [0,0,0,0,0,1|3,0,0]=4 3548 B15R1.157 CN(C/C=C/c1ccccc1)CCCO 34a_100020603576_200000210301 [0,0,0,0,0,1|3,0,0]=4 3549 B15R1.157 CN(CC=Cc1ccccc1)CCCO 270004a_100000213112_100000210105 [0,0,0,0,0,1|3,0,0]=4 3550 B15R1.157 COCCC(=O)C/C=C/c1ccccc1 1458a_100000749529_100016265936 [0,0,0,0,0,1|3,0,0]=4 3551 B15R1.157 COCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000233755 [0,0,0,0,0,1|3,0,0]=4 3552 B15R1.157 COCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000233755 [0,0,0,0,0,1|3,0,0]=4 3553 B15R1.157 CSCCC(=O)C/C=C/c1ccccc1 1458a_100000174002_100016265936 [0,0,0,0,0,1|3,0,0]=4 3554 B15R1.157 CSCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000751147 [0,0,0,0,0,1|3,0,0]=4 3555 B15R1.157 CSCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000751147 [0,0,0,0,0,1|3,0,0]=4 3556 B15R1.157 N#CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011215226 [0,0,0,0,0,1|2,0,1]=4 3557 B15R1.157 N#CCCC(=O)C/C=C/c1ccccc1 1458a_100011934036_100016265936 [0,0,0,0,0,1|2,0,1]=4 3558 B15R1.157 N#CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100011215226 [0,0,0,0,0,1|2,0,1]=4 3559 B15R1.157 N#CCNC(=O)C/C=C/c1ccccc1 1626a_100000734998_100011219626 [0,0,0,0,0,1|1,0,1]=3 3560 B15R1.157 N#CCNC(=O)C=CSc1ccccc1 1626a_100000734998_100016262050 [0,0,0,0,0,1|1,0,1]=3 3561 B15R1.157 O=C(C#CCO)C/C=C/c1ccccc1 1458a_100000049017_100016265936 [0,0,0,0,0,1|1,0,1]=3 3562 B15R1.157 O=C(C/C=C/c1ccccc1)CCCF 1458a_100011219626_100011934791 [0,0,0,0,0,1|2,0,0]=3 3563 B15R1.157 O=C(C/C=C/c1ccccc1)CCCO 1458a_100011219626_100011215043 [0,0,0,0,0,1|1,0,0]=2 3564 B15R1.157 O=C(C/C=C/c1ccccc1)NCCF 11a_100000724931_100011219626 [0,0,0,0,0,1|1,0,0]=2 3565 B15R1.157 O=C(C/C=C/c1ccccc1)NCCF 1626a_100000724931_100011219626 [0,0,0,0,0,1|1,0,0]=2 3566 B15R1.157 O=C(C/C=C/c1ccccc1)NCCF 240690a_100000724931_100011219626 [0,0,0,0,0,1|1,0,0]=2 3567 B15R1.157 O=C(C/C=C/c1ccccc1)NCCO 240690a_100000210304_100011219626 [0,0,0,0,0,1|0,0,0]=1 3568 B15R1.157 O=C(C=CSc1ccccc1)CCCF 1458a_100016262050_100011934791 [0,0,0,0,0,1|2,0,0]=3 3569 B15R1.157 O=C(C=CSc1ccccc1)CCCO 1458a_100016262050_100011215043 [0,0,0,0,0,1|1,0,0]=2 3570 B15R1.157 O=C(C=CSc1ccccc1)NCCF 11a_100000724931_100016262050 [0,0,0,0,0,1|1,0,0]=2 3571 B15R1.157 O=C(C=CSc1ccccc1)NCCF 1626a_100000724931_100016262050 [0,0,0,0,0,1|1,0,0]=2 3572 B15R1.157 O=C(C=CSc1ccccc1)NCCF 240690a_100000724931_100016262050 [0,0,0,0,0,1|1,0,0]=2 3573 B15R1.157 O=C(C=CSc1ccccc1)NCCO 240690a_100000210304_100016262050 [0,0,0,0,0,1|0,0,0]=1 3574 B15R1.157 O=C(CCCO)CCCc1ccccc1 1458a_100011207963_100011215043 [0,0,0,0,0,1|1,0,2]=4 3575 B15R1.157 O=C(CCCO)CCOc1ccccc1 1458a_100000182761_100011215043 [0,0,0,0,0,1|1,0,2]=4 3576 B15R1.157 O=C(CCCO)CCSc1ccccc1 1458a_100000182436_100011215043 [0,0,0,0,0,1|1,0,2]=4 3577 B15R1.157 O=C(CCCO)COCc1ccccc1 1458a_100000230186_100011215043 [0,0,0,0,0,1|1,0,2]=4 3578 B15R1.157 O=C(CCCO)CSCc1ccccc1 1458a_100000150264_100011215043 [0,0,0,0,0,1|1,0,2]=4 3579 B15R1.157 O=C(CCCc1ccccc1)NCCF 11a_100000724931_100011207963 [0,0,0,0,0,1|1,0,2]=4 3580 B15R1.157 O=C(CCCc1ccccc1)NCCF 1626a_100000724931_100011207963 [0,0,0,0,0,1|1,0,2]=4 3581 B15R1.157 O=C(CCCc1ccccc1)NCCF 240690a_100000724931_100011207963 [0,0,0,0,0,1|1,0,2]=4 3582 B15R1.157 O=C(CCCc1ccccc1)NCCF 527a_100000724931_100011207963 [0,0,0,0,0,1|1,0,2]=4 3583 B15R1.157 O=C(CCCc1ccccc1)NCCO 240690a_100000210304_100011207963 [0,0,0,0,0,1|0,0,2]=3 3584 B15R1.157 O=C(CCCc1ccccc1)NCCO 527a_100000210304_100011207963 [0,0,0,0,0,1|0,0,2]=3 3585 B15R1.157 O=C(CCCc1ccccn1)NCCO 240690a_100000210304_100000752327 [0,0,0,0,0,1|1,0,2]=4 3586 B15R1.157 O=C(CCCc1ccccn1)NCCO 527a_100000210304_100000752327 [0,0,0,0,0,1|1,0,2]=4 3587 B15R1.157 O=C(CCCc1ccncc1)NCCO 240690a_100000210304_100020654287 [0,0,0,0,0,1|1,0,2]=4 3588 B15R1.157 O=C(CCCc1ccncc1)NCCO 527a_100000210304_100020654287 [0,0,0,0,0,1|1,0,2]=4 3589 B15R1.157 O=C(CCOc1ccccc1)NCCF 11a_100000724931_100000182761 [0,0,0,0,0,1|1,0,2]=4 3590 B15R1.157 O=C(CCOc1ccccc1)NCCF 1626a_100000724931_100000182761 [0,0,0,0,0,1|1,0,2]=4 3591 B15R1.157 O=C(CCOc1ccccc1)NCCF 240690a_100000724931_100000182761 [0,0,0,0,0,1|1,0,2]=4 3592 B15R1.157 O=C(CCOc1ccccc1)NCCO 240690a_100000210304_100000182761 [0,0,0,0,0,1|0,0,2]=3 3593 B15R1.157 O=C(CCSc1ccccc1)NCCF 11a_100000724931_100000182436 [0,0,0,0,0,1|1,0,2]=4 3594 B15R1.157 O=C(CCSc1ccccc1)NCCF 1626a_100000724931_100000182436 [0,0,0,0,0,1|1,0,2]=4 3595 B15R1.157 O=C(CCSc1ccccc1)NCCF 240690a_100000724931_100000182436 [0,0,0,0,0,1|1,0,2]=4 3596 B15R1.157 O=C(CCSc1ccccc1)NCCO 240690a_100000210304_100000182436 [0,0,0,0,0,1|0,0,2]=3 3597 B15R1.157 O=C(CNCc1ccccc1)NCCF 2230a_100000725713_100015291786 [0,0,0,0,0,1|1,0,2]=4 3598 B15R1.157 O=C(CNCc1ccccc1)NCCF 270004a_100000725713_100015611070 [0,0,0,0,0,1|1,0,2]=4 3599 B15R1.157 O=C(COCc1ccccc1)NCCF 11a_100000724931_100000230186 [0,0,0,0,0,1|1,0,2]=4 3600 B15R1.157 O=C(COCc1ccccc1)NCCF 1626a_100000724931_100000230186 [0,0,0,0,0,1|1,0,2]=4 3601 B15R1.157 O=C(COCc1ccccc1)NCCF 240690a_100000724931_100000230186 [0,0,0,0,0,1|1,0,2]=4 3602 B15R1.157 O=C(COCc1ccccc1)NCCF 527a_100000724931_100000230186 [0,0,0,0,0,1|1,0,2]=4 3603 B15R1.157 O=C(COCc1ccccc1)NCCO 240690a_100000210304_100000230186 [0,0,0,0,0,1|0,0,2]=3 3604 B15R1.157 O=C(COCc1ccccc1)NCCO 527a_100000210304_100000230186 [0,0,0,0,0,1|0,0,2]=3 3605 B15R1.157 O=C(CSCc1ccccc1)NCCF 11a_100000724931_100000150264 [0,0,0,0,0,1|1,0,2]=4 3606 B15R1.157 O=C(CSCc1ccccc1)NCCF 1626a_100000724931_100000150264 [0,0,0,0,0,1|1,0,2]=4 3607 B15R1.157 O=C(CSCc1ccccc1)NCCF 240690a_100000724931_100000150264 [0,0,0,0,0,1|1,0,2]=4 3608 B15R1.157 O=C(CSCc1ccccc1)NCCF 527a_100000724931_100000150264 [0,0,0,0,0,1|1,0,2]=4 3609 B15R1.157 O=C(CSCc1ccccc1)NCCO 240690a_100000210304_100000150264 [0,0,0,0,0,1|0,0,2]=3 3610 B15R1.157 O=C(CSCc1ccccc1)NCCO 527a_100000210304_100000150264 [0,0,0,0,0,1|0,0,2]=3 3611 B15R1.157 O=C(CSCc1ccccn1)NCCO 240690a_100000210304_100000742634 [0,0,0,0,0,1|1,0,2]=4 3612 B15R1.157 O=C(CSCc1ccccn1)NCCO 527a_100000210304_100000742634 [0,0,0,0,0,1|1,0,2]=4 3613 B15R1.157 O=C(CSCc1ccncc1)NCCO 240690a_100000210304_100000742635 [0,0,0,0,0,1|1,0,2]=4 3614 B15R1.157 O=C(CSCc1ccncc1)NCCO 527a_100000210304_100000742635 [0,0,0,0,0,1|1,0,2]=4 3615 B15R1.157 O=C(NCCF)NCCc1ccccc1 2708a_100000106460_100000724931 [0,0,0,0,0,1|1,0,2]=4 3616 B15R1.157 O=C(NCCF)NCCc1ccccc1 273464a_100000106460_100000724931 [0,0,0,0,0,1|1,0,2]=4 3617 B15R1.157 O=C(NCCF)NCCc1ccccc1 273464a_100000724931_100000106460 [0,0,0,0,0,1|1,0,2]=4 3618 B15R1.157 O=C(NCCF)NCCc1ccccc1 512a_100000106460_100000724931 [0,0,0,0,0,1|1,0,2]=4 3619 B15R1.157 O=C(NCCF)NNCc1ccccc1 273464a_100000724931_100000007032 [0,0,0,0,0,1|2,0,1]=4 3620 B15R1.157 O=C(NCCO)NCCc1ccccc1 2708a_100000106460_100000210304 [0,0,0,0,0,1|0,0,2]=3 3621 B15R1.157 O=C(NCCO)NCCc1ccccc1 273464a_100000106460_100000210304 [0,0,0,0,0,1|0,0,2]=3 3622 B15R1.157 O=C(NCCO)NCCc1ccccc1 273464a_100000210304_100000106460 [0,0,0,0,0,1|0,0,2]=3 3623 B15R1.157 O=C(NCCO)NCCc1ccccc1 512a_100000106460_100000210304 [0,0,0,0,0,1|0,0,2]=3 3624 B15R1.157 O=C(NCCO)NCCc1ccccn1 2708a_100000211156_100000210304 [0,0,0,0,0,1|1,0,2]=4 3625 B15R1.157 O=C(NCCO)NCCc1ccccn1 273464a_100000210304_100000211156 [0,0,0,0,0,1|1,0,2]=4 3626 B15R1.157 O=C(NCCO)NCCc1ccccn1 273464a_100000211156_100000210304 [0,0,0,0,0,1|1,0,2]=4 3627 B15R1.157 O=C(NCCO)NCCc1cccnc1 2708a_100000736294_100000210304 [0,0,0,0,0,1|1,0,2]=4 3628 B15R1.157 O=C(NCCO)NCCc1cccnc1 273464a_100000210304_100000736294 [0,0,0,0,0,1|1,0,2]=4 3629 B15R1.157 O=C(NCCO)NCCc1cccnc1 273464a_100000736294_100000210304 [0,0,0,0,0,1|1,0,2]=4 3630 B15R1.157 O=C(NCCO)NCCc1cccnc1 512a_100000736294_100000210304 [0,0,0,0,0,1|1,0,2]=4 3631 B15R1.157 O=C(NCCO)NCCc1ccncc1 2708a_100000742849_100000210304 [0,0,0,0,0,1|1,0,2]=4 3632 B15R1.157 O=C(NCCO)NCCc1ccncc1 273464a_100000210304_100000742849 [0,0,0,0,0,1|1,0,2]=4 3633 B15R1.157 O=C(NCCO)NCCc1ccncc1 273464a_100000742849_100000210304 [0,0,0,0,0,1|1,0,2]=4 3634 B15R1.157 O=C(NCCO)NNCc1ccccc1 273464a_100000210304_100000007032 [0,0,0,0,0,1|1,0,1]=3 3635 B15R1.157 O=C(NCCO)NNCc1ccccn1 273464a_100000210304_100000736832 [0,0,0,0,0,1|2,0,1]=4 3636 B15R1.157 O=C(NCCO)NNCc1cccnc1 273464a_100000210304_100000738295 [0,0,0,0,0,1|2,0,1]=4 3637 B15R1.157 O=C(NCCO)NNCc1cccnc1 512a_100000738295_100000210304 [0,0,0,0,0,1|2,0,1]=4 3638 B15R1.157 O=C(NCCO)NNCc1ccncc1 273464a_100000210304_100000736929 [0,0,0,0,0,1|2,0,1]=4 3639 B15R1.157 [13CH3]N(C/C=C/c1ccccc1)CCCO 2230a_100020603576_200025704644 [0,0,0,0,0,1|3,0,0]=4 3640 B15R1.157 [13CH3]N(C/C=C/c1ccccc1)CCCO 269982a_100020603576_200025704644 [0,0,0,0,0,1|3,0,0]=4 3641 B15R1.157 [13CH3]N(C/C=C/c1ccccc1)CCCO 34a_100020603576_200025704644 [0,0,0,0,0,1|3,0,0]=4 3642 B12R1.8 CCCCC=Cc1ccccc1 271570a_100016275911_100000210277 [2,0,0,0,0,0|1,0,1]=4 3643 B12R1.8 CCCNN=Cc1ccccc1 4a_100000740057_100015611070 [2,0,0,0,0,0|2,0,0]=4 3644 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100015525214_100016265936 [2,0,0,0,0,0|0,0,1]=3 3645 B12R1.8 CCNC/C=C/c1ccccc1 2230a_100020603302_100000210202 [2,0,0,0,0,0|0,0,1]=3 3646 B12R1.8 CCNC/C=C/c1ccccc1 34a_100020603302_100000210202 [2,0,0,0,0,0|0,0,1]=3 3647 B12R1.8 CCNCC=Cc1ccccc1 270004a_100015525214_100000210105 [2,0,0,0,0,0|0,0,1]=3 3648 B12R1.8 CCNN=CCc1ccccc1 4a_100000756455_100000209964 [2,0,0,0,0,0|1,0,1]=4 3649 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [2,0,0,0,0,0|1,0,1]=4 3650 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [2,0,0,0,0,0|1,0,1]=4 3651 B12R1.8 CCSC/C=C/c1ccccc1 62a_100000210202_100016265936 [2,0,0,0,0,0|1,0,1]=4 3652 B12R1.8 CCSC/C=C/c1ccccc1 62a_100016265936_100000210202 [2,0,0,0,0,0|1,0,1]=4 3653 B12R1.8 FCNC/C=C/c1ccccc1 34a_100020603302_100015361967 [2,0,0,0,0,0|1,0,1]=4 3654 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [2,0,0,0,0,0|0,0,2]=4 3655 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [2,0,0,0,0,0|0,0,2]=4 3656 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [2,0,0,0,0,0|0,0,2]=4 3657 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [2,0,0,0,0,0|0,0,2]=4 3658 B12R1.8 OCCNCSc1ccccc1 2230a_100016997473_100011218342 [2,0,0,0,0,0|1,0,1]=4 3659 B12R1.8 OCCNN=Cc1ccccc1 4a_100000210001_100015611070 [2,0,0,0,0,0|1,0,0]=3 3660 B12R1.8 OCCNN=Cc1ccccn1 4a_100000210001_100000209966 [2,0,0,0,0,0|2,0,0]=4 3661 B12R1.8 OCCNN=Cc1cccnc1 4a_100000210001_100000209961 [2,0,0,0,0,0|2,0,0]=4 3662 B12R1.8 OCCNN=Cc1ccncc1 4a_100000210001_100000186114 [2,0,0,0,0,0|2,0,0]=4 3663 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [2,0,0,0,0,0|0,0,2]=4 3664 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [2,0,0,0,0,0|0,0,0]=2 3665 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [2,0,0,0,0,0|1,0,0]=3 3666 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [2,0,0,0,0,0|1,0,0]=3 3667 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [2,0,0,0,0,0|1,0,0]=3 3668 B12R1.27 CCC(=O)C=Cc1cncnc1 6a_100000749868_100000211110 [2,0,0,0,0,0|2,0,0]=4 3669 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [2,0,0,0,0,0|0,0,2]=4 3670 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [2,0,0,0,0,0|0,0,2]=4 3671 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [2,0,0,0,0,0|1,0,1]=4 3672 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [2,0,0,0,0,0|1,0,1]=4 3673 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [2,0,0,0,0,0|1,0,1]=4 3674 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [2,0,0,0,0,0|1,0,1]=4 3675 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [2,0,0,0,0,0|1,0,1]=4 3676 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [2,0,0,0,0,0|1,0,1]=4 3677 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [2,0,0,0,0,0|1,0,1]=4 3678 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [2,0,0,0,0,0|1,0,1]=4 3679 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [2,0,0,0,0,0|1,0,1]=4 3680 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [2,0,0,0,0,0|2,0,0]=4 3681 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [2,0,0,0,0,0|0,0,2]=4 3682 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [2,0,0,0,0,0|0,0,0]=2 3683 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [2,0,0,0,0,0|0,0,0]=2 3684 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [2,0,0,0,0,0|1,0,0]=3 3685 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [2,0,0,0,0,0|1,0,0]=3 3686 B12R1.27 CNC(=O)C=Cc1cccnc1 11a_106832991635_100000735890 [2,0,0,0,0,0|1,0,0]=3 3687 B12R1.27 CNC(=O)C=Cc1cccnc1 240690a_100102657272_100000735890 [2,0,0,0,0,0|1,0,0]=3 3688 B12R1.27 CNC(=O)C=Cc1ccncc1 240690a_100102657272_100000682801 [2,0,0,0,0,0|1,0,0]=3 3689 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [2,0,0,0,0,0|0,0,2]=4 3690 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [2,0,0,0,0,0|0,0,2]=4 3691 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [2,0,0,0,0,0|0,0,2]=4 3692 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [2,0,0,0,0,0|0,0,2]=4 3693 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [2,0,0,0,0,0|1,0,1]=4 3694 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [2,0,0,0,0,0|1,0,1]=4 3695 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [2,0,0,0,0,0|1,0,1]=4 3696 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [2,0,0,0,0,0|1,0,1]=4 3697 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [2,0,0,0,0,0|1,0,1]=4 3698 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [2,0,0,0,0,0|1,0,1]=4 3699 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [2,0,0,0,0,0|1,0,1]=4 3700 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [2,0,0,0,0,0|1,0,1]=4 3701 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [2,0,0,0,0,0|1,0,1]=4 3702 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [2,0,0,0,0,0|1,0,1]=4 3703 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [2,0,0,0,0,0|1,0,1]=4 3704 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [2,0,0,0,0,0|1,0,1]=4 3705 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [2,0,0,0,0,0|1,0,1]=4 3706 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [2,0,0,0,0,0|1,0,1]=4 3707 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [2,0,0,0,0,0|1,0,1]=4 3708 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [2,0,0,0,0,0|1,0,1]=4 3709 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [2,0,0,0,0,0|1,0,1]=4 3710 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [2,0,0,0,0,0|1,0,1]=4 3711 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [2,0,0,0,0,0|1,0,1]=4 3712 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [2,0,0,0,0,0|2,0,0]=4 3713 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [2,0,0,0,0,0|2,0,0]=4 3714 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [2,0,0,0,0,0|1,0,0]=3 3715 B12R1.27 O=C(C=Cc1ccccn1)CF 1458a_100000740811_100015361967 [2,0,0,0,0,0|2,0,0]=4 3716 B12R1.27 O=C(C=Cc1cccnc1)CF 1458a_100000735890_100015361967 [2,0,0,0,0,0|2,0,0]=4 3717 B12R1.27 O=C(C=Cc1ccncc1)CF 1458a_100000682801_100015361967 [2,0,0,0,0,0|2,0,0]=4 3718 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [2,0,0,0,0,0|0,0,2]=4 3719 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [2,0,0,0,0,0|1,0,1]=4 3720 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [2,0,0,0,0,0|1,0,1]=4 3721 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [2,0,0,0,0,0|2,0,0]=4 3722 B14R1.14 CCCNCC=Cc1ccc(cc1)Br 270004a_100020643023_100016291818 [1,1,0,0,0,0|1,0,1]=4 3723 B14R1.14 CCCNCC=Cc1ccc(cc1)C 270004a_100020643023_100016257026 [1,1,0,0,0,0|1,0,1]=4 3724 B14R1.14 CCCNCC=Cc1ccc(cc1)Cl 270004a_100020643023_100102525842 [1,1,0,0,0,0|1,0,1]=4 3725 B14R1.14 CCCNCC=Cc1ccc(cc1)F 270004a_100020643023_100016272083 [1,1,0,0,0,0|1,0,1]=4 3726 B14R1.14 Cc1ccc(cc1)C=CCNCCO 270004a_100000210304_100016257026 [1,1,0,0,0,0|0,0,1]=3 3727 B14R1.14 Cc1ccc(cc1)CC=NNCCO 4a_100000210001_100011361684 [1,1,0,0,0,0|1,0,1]=4 3728 B14R1.14 OCCNCC=Cc1ccc(cc1)Br 270004a_100000210304_100016291818 [1,1,0,0,0,0|0,0,1]=3 3729 B14R1.14 OCCNCC=Cc1ccc(cc1)Cl 270004a_100000210304_100102525842 [1,1,0,0,0,0|0,0,1]=3 3730 B14R1.14 OCCNCC=Cc1ccc(cc1)F 270004a_100000210304_100016272083 [1,1,0,0,0,0|0,0,1]=3 3731 B14R1.14 OCCNN=CCc1ccc(cc1)Br 4a_100000210001_100011361690 [1,1,0,0,0,0|1,0,1]=4 3732 B14R1.14 OCCNN=CCc1ccc(cc1)Cl 4a_100000210001_100000730895 [1,1,0,0,0,0|1,0,1]=4 3733 B14R1.14 OCCNN=CCc1ccc(cc1)F 4a_100000210001_100000684651 [1,1,0,0,0,0|1,0,1]=4 3734 B14R1.26 CCCNCC=Cc1cccc(c1)C 270004a_100020643023_100102525846 [1,1,0,0,0,0|1,0,1]=4 3735 B14R1.26 CCCNCC=Cc1cccc(c1)Cl 270004a_100020643023_100016268971 [1,1,0,0,0,0|1,0,1]=4 3736 B14R1.26 Cc1cccc(c1)C=CCNCCO 270004a_100000210304_100102525846 [1,1,0,0,0,0|0,0,1]=3 3737 B14R1.26 OCCNCC=Cc1cccc(c1)Cl 270004a_100000210304_100016268971 [1,1,0,0,0,0|0,0,1]=3 3738 B14R1.26 OCCNN=CCc1cccc(c1)Br 4a_100000210001_200000698211 [1,1,0,0,0,0|1,0,1]=4 3739 B14R1.26 OCCNN=CCc1cccc(c1)Cl 4a_100000210001_100000765889 [1,1,0,0,0,0|1,0,1]=4 3740 B14R1.26 OCCNN=CCc1cccc(c1)F 4a_100000210001_100011713417 [1,1,0,0,0,0|1,0,1]=4 3741 B14R1.38 CC(C=NNCCO)c1ccccc1 4a_100000210001_100000212034 [1,1,0,0,0,0|1,0,1]=4 3742 B14R1.38 O=C(CCNCCO)c1ccccc1 2230a_100016997473_100000750707 [1,1,0,0,0,0|0,0,2]=4 3743 B14R1.123 C#CCCNC/C=C/c1ccccc1 2230a_100020603302_100000688953 [1,1,0,0,0,0|1,0,1]=4 3744 B14R1.123 C#CCCNC/C=C/c1ccccc1 34a_100000755551_100016265936 [1,1,0,0,0,0|1,0,1]=4 3745 B14R1.123 C#CCCNC/C=C/c1ccccc1 34a_100020603302_100000688953 [1,1,0,0,0,0|1,0,1]=4 3746 B14R1.123 C=CCCNC/C=C/c1ccccc1 2230a_100015191253_100016265936 [1,1,0,0,0,0|1,0,1]=4 3747 B14R1.123 C=CCCNC/C=C/c1ccccc1 2230a_100020603302_100000754431 [1,1,0,0,0,0|1,0,1]=4 3748 B14R1.123 C=CCCNC/C=C/c1ccccc1 34a_100020603302_100000754431 [1,1,0,0,0,0|1,0,1]=4 3749 B14R1.123 C=CCCNCC=Cc1ccccc1 270004a_100015191253_100000210105 [1,1,0,0,0,0|1,0,1]=4 3750 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100000102301_100016265936 [1,1,0,0,0,0|1,0,1]=4 3751 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100020603302_100000210211 [1,1,0,0,0,0|1,0,1]=4 3752 B14R1.123 CCCCNC/C=C/c1ccccc1 34a_100020603302_100000210210 [1,1,0,0,0,0|1,0,1]=4 3753 B14R1.123 CCCCNC/C=C/c1ccccc1 7a_106832991798_100016265936 [1,1,0,0,0,0|1,0,1]=4 3754 B14R1.123 CCCCNCC=Cc1ccccc1 270004a_100000102301_100000210105 [1,1,0,0,0,0|1,0,1]=4 3755 B14R1.123 CCCNN=CC=Cc1ccccc1 4a_100000740057_100000210105 [1,1,0,0,0,0|1,0,0]=3 3756 B14R1.123 CCCNN=CC=Cc1ccncc1 4a_100000740057_100000703957 [1,1,0,0,0,0|2,0,0]=4 3757 B14R1.123 COCCNC/C=C/c1ccccc1 2230a_100000209980_100016265936 [1,1,0,0,0,0|0,0,1]=3 3758 B14R1.123 COCCNC/C=C/c1ccccc1 2230a_100020603302_100011201679 [1,1,0,0,0,0|0,0,1]=3 3759 B14R1.123 COCCNC/C=C/c1ccccc1 34a_100020603302_100011201679 [1,1,0,0,0,0|0,0,1]=3 3760 B14R1.123 COCCNC/C=C/c1ccccc1 34a_100020603566_200000210301 [1,1,0,0,0,0|0,0,1]=3 3761 B14R1.123 COCCNCC=Cc1ccccc1 270004a_100000209980_100000210105 [1,1,0,0,0,0|0,0,1]=3 3762 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210237_100016265936 [1,1,0,0,0,0|1,0,1]=4 3763 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210256_100011201679 [1,1,0,0,0,0|1,0,1]=4 3764 B14R1.123 COCCSC/C=C/c1ccccc1 62a_100000233755_100016265936 [1,1,0,0,0,0|1,0,1]=4 3765 B14R1.123 COCCSC/C=C/c1ccccc1 62a_100016265936_100000233755 [1,1,0,0,0,0|1,0,1]=4 3766 B14R1.123 CSCCNC/C=C/c1ccccc1 2230a_100020590264_100016265936 [1,1,0,0,0,0|0,1,1]=4 3767 B14R1.123 CSCCNC/C=C/c1ccccc1 2230a_100020603302_100000751147 [1,1,0,0,0,0|0,1,1]=4 3768 B14R1.123 CSCCNC/C=C/c1ccccc1 34a_100020603302_100000212216 [1,1,0,0,0,0|0,1,1]=4 3769 B14R1.123 CSCCNCC=Cc1ccccc1 270004a_100020590264_100000210105 [1,1,0,0,0,0|0,1,1]=4 3770 B14R1.123 FCCCNC/C=C/c1ccccc1 2230a_100015189416_100016265936 [1,1,0,0,0,0|1,0,1]=4 3771 B14R1.123 FCCCNC/C=C/c1ccccc1 2230a_100020603302_100011934791 [1,1,0,0,0,0|1,0,1]=4 3772 B14R1.123 FCCCNC/C=C/c1ccccc1 34a_100015189416_100016265936 [1,1,0,0,0,0|1,0,1]=4 3773 B14R1.123 FCCCNC/C=C/c1ccccc1 34a_100020603302_100011934791 [1,1,0,0,0,0|1,0,1]=4 3774 B14R1.123 FCCCNCC=Cc1ccccc1 270004a_100015189416_100000210105 [1,1,0,0,0,0|1,0,1]=4 3775 B14R1.123 N#CCCNC/C=C/c1ccccc1 2230a_100020603302_100011215226 [1,1,0,0,0,0|1,0,1]=4 3776 B14R1.123 N#CCCNCC=Cc1ccccc1 270004a_100000720768_100000210105 [1,1,0,0,0,0|1,0,1]=4 3777 B14R1.123 NOCCOC/C=C/c1ccccc1 34a_100000700252_100016265936 [1,1,0,0,0,0|1,0,1]=4 3778 B14R1.123 OCCCNC/C=C/c1ccccc1 2230a_100020603302_100000230001 [1,1,0,0,0,0|0,0,1]=3 3779 B14R1.123 OCCCNC/C=C/c1ccccc1 34a_100020603302_100000230001 [1,1,0,0,0,0|0,0,1]=3 3780 B14R1.123 OCCCNCC=Cc1ccccc1 270004a_100000182051_100000210105 [1,1,0,0,0,0|0,0,1]=3 3781 B14R1.123 OCCCOC/C=C/c1ccccc1 34a_100000210256_100000230001 [1,1,0,0,0,0|1,0,1]=4 3782 B14R1.123 OCCCSC/C=C/c1ccccc1 62a_100011215043_100016265936 [1,1,0,0,0,0|1,0,1]=4 3783 B14R1.123 OCCCSC/C=C/c1ccccc1 62a_100016265936_100011215043 [1,1,0,0,0,0|1,0,1]=4 3784 B14R1.123 OCCNN=CC#Cc1ccccc1 4a_100000210001_100000033505 [1,1,0,0,0,0|0,0,2]=4 3785 B14R1.123 OCCNN=CC=Cc1ccccc1 4a_100000210001_100000210105 [1,1,0,0,0,0|0,0,0]=2 3786 B14R1.123 OCCNN=CC=Cc1ccncc1 4a_100000210001_100000703957 [1,1,0,0,0,0|1,0,0]=3 3787 B14R1.123 OCCNN=CCCc1ccccc1 4a_100000210001_100000198083 [1,1,0,0,0,0|0,0,2]=4 3788 B14R1.123 OCCNN=CCOc1ccccc1 4a_100000210001_100000758736 [1,1,0,0,0,0|1,0,1]=4 3789 B14R1.123 [13CH3]OCCNC/C=C/c1ccccc1 34a_100020603566_200025704644 [1,1,0,0,0,0|0,0,1]=3 3790 B14R1.158 C/C(=C\c1ccccc1)/COCCO 34a_200025717232_100000211926 [1,1,0,0,0,0|1,0,1]=4 3791 B14R1.158 C/C(=C\c1ccccc1)/COCCO 7a_200025717232_100000211926 [1,1,0,0,0,0|1,0,1]=4 3792 B14R1.158 O=C(CNCCO)Cc1ccccc1 2230a_100016997473_100000233483 [1,1,0,0,0,0|0,0,2]=4 3793 B14R1.158 O=C(CNCCO)Nc1ccccc1 2230a_100016997473_100000182850 [1,1,0,0,0,0|1,0,1]=4 3794 B14R1.158 O=C(CNCCO)Nc1ccccc1 34a_100016990907_100000182850 [1,1,0,0,0,0|1,0,1]=4 3795 B14R1.158 O=C(CNCCO)Oc1ccccc1 2230a_100016997473_100009813826 [1,1,0,0,0,0|1,0,1]=4 3796 B14R1.158 O=C(CNCCO)Oc1ccccc1 34a_100016990907_100009813826 [1,1,0,0,0,0|1,0,1]=4 3797 B14R1.422 CC(C)CNC/C=C/c1ccccc1 2230a_100000210953_100016265936 [1,1,0,0,0,0|1,0,1]=4 3798 B14R1.422 CC(C)CNC/C=C/c1ccccc1 2230a_100020603302_100000210760 [1,1,0,0,0,0|1,0,1]=4 3799 B14R1.422 CC(C)CNC/C=C/c1ccccc1 270004a_100020603302_100000210432 [1,1,0,0,0,0|1,0,1]=4 3800 B14R1.422 CC(C)CNC/C=C/c1ccccc1 34a_100000210953_100016265936 [1,1,0,0,0,0|1,0,1]=4 3801 B14R1.422 CC(C)CNC/C=C/c1ccccc1 34a_100020603302_100000210624 [1,1,0,0,0,0|1,0,1]=4 3802 B14R1.422 CC(C)CNCC=Cc1ccccc1 270004a_100000210953_100000210105 [1,1,0,0,0,0|1,0,1]=4 3803 B14R1.422 CC(O)CNC/C=C/c1ccccc1 2230a_100000210904_100016265936 [1,1,0,0,0,0|0,0,1]=3 3804 B14R1.422 CC(O)CNC/C=C/c1ccccc1 2230a_100020603302_100011218427 [1,1,0,0,0,0|0,0,1]=3 3805 B14R1.422 CC(O)CNC/C=C/c1ccccc1 34a_100000210904_100016265936 [1,1,0,0,0,0|0,0,1]=3 3806 B14R1.422 CC(O)CNC/C=C/c1ccccc1 34a_100020603302_100011218427 [1,1,0,0,0,0|0,0,1]=3 3807 B14R1.422 CC(O)CNCC=Cc1ccccc1 270004a_100000210904_100000210105 [1,1,0,0,0,0|0,0,1]=3 3808 B14R1.422 CC(O)CNN=CCc1ccccc1 4a_200000730056_100000209964 [1,1,0,0,0,0|1,0,1]=4 3809 B14R1.422 CC(O)COC/C=C/c1ccccc1 34a_100000210256_100011218427 [1,1,0,0,0,0|1,0,1]=4 3810 B14R1.422 CC(O)CSC/C=C/c1ccccc1 62a_100011218427_100016265936 [1,1,0,0,0,0|1,0,1]=4 3811 B14R1.422 CC(O)CSC/C=C/c1ccccc1 62a_100016265936_100011218427 [1,1,0,0,0,0|1,0,1]=4 3812 B14R1.422 C[C@@H](O)CNC/C=C/c1ccccc1 2230a_100020603302_100009817552 [1,1,0,0,0,0|0,0,1]=3 3813 B14R1.422 C[C@@H](O)CNC/C=C/c1ccccc1 34a_100020603302_100009817552 [1,1,0,0,0,0|0,0,1]=3 3814 B14R1.422 C[C@@H](O)COC/C=C/c1ccccc1 34a_100000210256_100009817552 [1,1,0,0,0,0|1,0,1]=4 3815 B14R1.422 C[C@@H](O)CSC/C=C/c1ccccc1 62a_100009817552_100016265936 [1,1,0,0,0,0|1,0,1]=4 3816 B14R1.422 C[C@@H](O)CSC/C=C/c1ccccc1 62a_100016265936_100009817552 [1,1,0,0,0,0|1,0,1]=4 3817 B14R1.422 FC(F)CNC/C=C/c1ccccc1 2230a_100020603302_100011934356 [1,1,0,0,0,0|1,0,1]=4 3818 B14R1.422 FC(F)CNC/C=C/c1ccccc1 34a_100000765723_100016265936 [1,1,0,0,0,0|1,0,1]=4 3819 B14R1.422 FC(F)CNC/C=C/c1ccccc1 34a_100020603302_100011934356 [1,1,0,0,0,0|1,0,1]=4 3820 B14R1.422 FC(F)CNCC=Cc1ccccc1 270004a_100000765723_100000210105 [1,1,0,0,0,0|1,0,1]=4 3821 B14R1.422 O=C(O)CNC/C=C/c1ccccc1 269956a_100016091260_100016265936 [1,1,0,0,0,0|0,0,2]=4 3822 B14R1.520 CCCN(C)C/C=C/c1ccccc1 2230a_100000747261_100016265936 [1,1,0,0,0,0|1,0,1]=4 3823 B14R1.520 CCCN(C)C/C=C/c1ccccc1 2230a_100020603570_200000210301 [1,1,0,0,0,0|1,0,1]=4 3824 B14R1.520 CCCN(C)C/C=C/c1ccccc1 269982a_100000747261_100016265936 [1,1,0,0,0,0|1,0,1]=4 3825 B14R1.520 CCCN(C)C/C=C/c1ccccc1 269982a_100020603570_200000210301 [1,1,0,0,0,0|1,0,1]=4 3826 B14R1.520 CCCN(C)C/C=C/c1ccccc1 34a_100020603570_200000210301 [1,1,0,0,0,0|1,0,1]=4 3827 B14R1.520 CCCN(C)CC=Cc1ccccc1 270004a_100000747261_100000210105 [1,1,0,0,0,0|1,0,1]=4 3828 B14R1.520 CCCN([13CH3])C/C=C/c1ccccc1 2230a_100020603570_200025704644 [1,1,0,0,0,0|1,0,1]=4 3829 B14R1.520 CCCN([13CH3])C/C=C/c1ccccc1 269982a_100020603570_200025704644 [1,1,0,0,0,0|1,0,1]=4 3830 B14R1.520 CCCN([13CH3])C/C=C/c1ccccc1 34a_100020603570_200025704644 [1,1,0,0,0,0|1,0,1]=4 3831 B14R1.520 CN(C/C=C/c1ccccc1)CCO 2230a_100000210263_100016265936 [1,1,0,0,0,0|0,0,1]=3 3832 B14R1.520 CN(C/C=C/c1ccccc1)CCO 2230a_100020603566_200000210301 [1,1,0,0,0,0|0,0,1]=3 3833 B14R1.520 CN(C/C=C/c1ccccc1)CCO 269982a_100000210263_100016265936 [1,1,0,0,0,0|0,0,1]=3 3834 B14R1.520 CN(C/C=C/c1ccccc1)CCO 269982a_100020603566_200000210301 [1,1,0,0,0,0|0,0,1]=3 3835 B14R1.520 CN(C/C=C/c1ccccc1)CCO 34a_100020603566_200000210301 [1,1,0,0,0,0|0,0,1]=3 3836 B14R1.520 CN(CC=Cc1ccccc1)CCO 270004a_100000210263_100000210105 [1,1,0,0,0,0|0,0,1]=3 3837 B14R1.520 O=C(C/C=C/c1ccccc1)CCO 1458a_100011216618_100016265936 [1,1,0,0,0,0|1,0,1]=4 3838 B14R1.520 O=C(C/C=C/c1ccccc1)CCO 1458a_100011219626_100000211926 [1,1,0,0,0,0|1,0,1]=4 3839 B14R1.520 O=C(C=CSc1ccccc1)CCO 1458a_100016262050_100000211926 [1,1,0,0,0,0|2,0,0]=4 3840 B14R1.520 [13CH3]N(C/C=C/c1ccccc1)CCO 2230a_100020603566_200025704644 [1,1,0,0,0,0|0,0,1]=3 3841 B14R1.520 [13CH3]N(C/C=C/c1ccccc1)CCO 269982a_100020603566_200025704644 [1,1,0,0,0,0|0,0,1]=3 3842 B14R1.520 [13CH3]N(C/C=C/c1ccccc1)CCO 34a_100020603566_200025704644 [1,1,0,0,0,0|0,0,1]=3 3843 B14R1.716 CC(CO)NC/C=C/c1ccccc1 2230a_100020603302_100012180447 [1,1,0,0,0,0|0,0,1]=3 3844 B14R1.716 CC(CO)NC/C=C/c1ccccc1 34a_100020603302_100012180447 [1,1,0,0,0,0|0,0,1]=3 3845 B14R1.716 CC(CO)OC/C=C/c1ccccc1 34a_100000210256_100012180447 [1,1,0,0,0,0|1,0,1]=4 3846 B14R1.716 CC(CO)SC/C=C/c1ccccc1 62a_100012180447_100016265936 [1,1,0,0,0,0|1,0,1]=4 3847 B14R1.716 CCC(C)NC/C=C/c1ccccc1 2230a_100000209981_100016265936 [1,1,0,0,0,0|1,0,1]=4 3848 B14R1.716 CCC(C)NC/C=C/c1ccccc1 2230a_100020603302_100000758301 [1,1,0,0,0,0|1,0,1]=4 3849 B14R1.716 CCC(C)NC/C=C/c1ccccc1 34a_100020603302_100011215416 [1,1,0,0,0,0|1,0,1]=4 3850 B14R1.716 CCC(C)NCC=Cc1ccccc1 270004a_100000209981_100000210105 [1,1,0,0,0,0|1,0,1]=4 3851 B14R1.716 C[C@H](CF)NCC=Cc1ccccc1 270004a_100102880703_100000210105 [1,1,0,0,0,0|1,0,1]=4 3852 B14R1.716 C[C@H](CO)NC/C=C/c1ccccc1 2230a_100000737577_100016265936 [1,1,0,0,0,0|0,0,1]=3 3853 B14R1.716 C[C@H](CO)NCC=Cc1ccccc1 270004a_100000737577_100000210105 [1,1,0,0,0,0|0,0,1]=3 3854 B14R1.716 C[C@H](CO)SC/C=C/c1ccccc1 62a_100016084084_100016265936 [1,1,0,0,0,0|1,0,1]=4 3855 B14R1.716 C[C@H](CO)SC/C=C/c1ccccc1 62a_100016265936_100016084084 [1,1,0,0,0,0|1,0,1]=4 3856 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 240690a_100020603302_100000210174 [1,1,0,0,0,0|0,0,2]=4 3857 B14R1.716 O=C(CO)NC/C=C/c1ccccc1 527a_100020603302_100000210174 [1,1,0,0,0,0|0,0,2]=4 3858 B14R1.882 CCCNCC=Cc1ccccc1Br 270004a_100020643023_200016268969 [1,1,0,0,0,0|1,0,1]=4 3859 B14R1.882 CCCNCC=Cc1ccccc1Cl 270004a_100020643023_200102525841 [1,1,0,0,0,0|1,0,1]=4 3860 B14R1.882 CCCNCC=Cc1ccccc1F 270004a_100020643023_200102525844 [1,1,0,0,0,0|1,0,1]=4 3861 B14R1.882 OCCNCC=Cc1ccccc1Br 270004a_100000210304_200016268969 [1,1,0,0,0,0|0,0,1]=3 3862 B14R1.882 OCCNCC=Cc1ccccc1Cl 270004a_100000210304_200102525841 [1,1,0,0,0,0|0,0,1]=3 3863 B14R1.882 OCCNCC=Cc1ccccc1F 270004a_100000210304_200102525844 [1,1,0,0,0,0|0,0,1]=3 3864 B14R1.882 OCCNN=CCc1ccccc1Cl 4a_100000210001_200011713468 [1,1,0,0,0,0|1,0,1]=4 3865 B14R1.882 OCCNN=CCc1ccccc1F 4a_100000210001_200000687578 [1,1,0,0,0,0|1,0,1]=4 3866 B14R1.29 C#CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000184674 [1,1,0,0,0,0|1,0,1]=4 3867 B14R1.29 C=CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210623 [1,1,0,0,0,0|1,0,1]=4 3868 B14R1.29 CC(=CC(=O)CC#N)c1ccccc1 1458a_100000743005_100011214920 [1,1,0,0,0,0|1,0,1]=4 3869 B14R1.29 CC(=CC(=O)CCF)c1ccccc1 1458a_100000743005_100011217306 [1,1,0,0,0,0|1,0,0]=3 3870 B14R1.29 CC(=CC(=O)CCO)c1ccccc1 1458a_100000743005_100000211926 [1,1,0,0,0,0|0,0,0]=2 3871 B14R1.29 CC(CC(=O)CCO)c1ccccc1 1458a_100000183687_100000211926 [1,1,0,0,0,0|0,0,2]=4 3872 B14R1.29 CC(CC(=O)CCO)c1ccccc1 1458a_100011216618_100000756946 [1,1,0,0,0,0|0,0,2]=4 3873 B14R1.29 CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210303 [1,1,0,0,0,0|1,0,0]=3 3874 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747444 [1,1,0,0,0,0|1,0,1]=4 3875 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000211992_100000211460 [1,1,0,0,0,0|1,0,1]=4 3876 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 11a_100015525214_100000743005 [1,1,0,0,0,0|0,0,0]=2 3877 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 240690a_100015525214_100000743005 [1,1,0,0,0,0|0,0,0]=2 3878 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 527a_100015525214_100000743005 [1,1,0,0,0,0|0,0,0]=2 3879 B14R1.29 CCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183381 [1,1,0,0,0,0|0,0,1]=3 3880 B14R1.29 CCNC(=O)CC(C)c1ccccc1 11a_100015525214_100000183687 [1,1,0,0,0,0|0,0,2]=4 3881 B14R1.29 CCNC(=O)CC(C)c1ccccc1 240690a_100015525214_100000183687 [1,1,0,0,0,0|0,0,2]=4 3882 B14R1.29 CCNC(=O)CC(C)c1ccccc1 527a_100015525214_100000183687 [1,1,0,0,0,0|0,0,2]=4 3883 B14R1.29 CCNC(=O)CC(O)c1ccccc1 240690a_100015525214_100000690199 [1,1,0,0,0,0|0,0,2]=4 3884 B14R1.29 CCNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183381 [1,1,0,0,0,0|1,0,1]=4 3885 B14R1.29 CCNC(=O)CN(C)c1ccccc1 240690a_100015525214_100000745425 [1,1,0,0,0,0|1,0,1]=4 3886 B14R1.29 CCNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183381 [1,1,0,0,0,0|1,0,1]=4 3887 B14R1.29 CCNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183381 [1,1,0,0,0,0|1,0,1]=4 3888 B14R1.29 CCNC(=O)CN(C)c1ccccc1 527a_100015525214_100000745425 [1,1,0,0,0,0|1,0,1]=4 3889 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100015525214 [1,1,0,0,0,0|1,0,1]=4 3890 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 2708a_100015525214_100000751104 [1,1,0,0,0,0|1,0,1]=4 3891 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100015525214 [1,1,0,0,0,0|1,0,1]=4 3892 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 273464a_100015525214_100000751104 [1,1,0,0,0,0|1,0,1]=4 3893 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100015525214 [1,1,0,0,0,0|1,0,1]=4 3894 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 512a_100015525214_100000751104 [1,1,0,0,0,0|1,0,1]=4 3895 B14R1.29 CCOC(=O)/C=C(\C)/c1ccccc1 271570a_100050291487_100000210277 [1,1,0,0,0,0|1,0,0]=3 3896 B14R1.29 CCOC(=O)/C=C(\C)/c1ccccn1 271570a_100050291487_100011216584 [1,1,0,0,0,0|2,0,0]=4 3897 B14R1.29 CCOC(=O)/C=C(\C)/c1cccnc1 271570a_100050291487_100000752921 [1,1,0,0,0,0|2,0,0]=4 3898 B14R1.29 CCOC(=O)/C=C(\C)/c1ccncc1 271570a_100050291487_100000035832 [1,1,0,0,0,0|2,0,0]=4 3899 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000188475 [1,1,0,0,0,0|1,0,1]=4 3900 B14R1.29 CN(CC(=O)CCO)c1ccccc1 1458a_100000745425_100000211926 [1,1,0,0,0,0|1,0,1]=4 3901 B14R1.29 CN(CC(=O)NCO)c1ccccc1 2230a_100000210012_100000185155 [1,1,0,0,0,0|1,0,1]=4 3902 B14R1.29 CN(CC(=O)NCO)c1ccccc1 269982a_100000210012_100000185155 [1,1,0,0,0,0|1,0,1]=4 3903 B14R1.29 CN(CC(=O)NCO)c1ccccc1 34a_100000210012_100000185155 [1,1,0,0,0,0|1,0,1]=4 3904 B14R1.29 CNNC(=O)C=C(C)c1ccccc1 22a_100016993582_100000743005 [1,1,0,0,0,0|1,0,0]=3 3905 B14R1.29 C[C@@H](NC(=O)CCO)c1ccccc1 240690a_100000751104_100011216618 [1,1,0,0,0,0|1,0,1]=4 3906 B14R1.29 O=C(CC(=O)c1ccccc1)NCO 1458a_100000185807_100000185155 [1,1,0,0,0,0|0,0,1]=3 3907 B14R1.29 O=C(CCO)CC(=O)c1ccccc1 1458a_100011216618_100000211460 [1,1,0,0,0,0|0,0,1]=3 3908 B14R1.29 O=C(CCO)CC(=O)c1ccccn1 1458a_100011216618_100000027445 [1,1,0,0,0,0|1,0,1]=4 3909 B14R1.29 O=C(CCO)CC(=O)c1cccnc1 1458a_100011216618_100015188593 [1,1,0,0,0,0|1,0,1]=4 3910 B14R1.29 O=C(CCO)CC(=O)c1ccncc1 1458a_100011216618_100000027454 [1,1,0,0,0,0|1,0,1]=4 3911 B14R1.29 O=C(CCO)CC(O)c1ccccc1 1458a_100000690199_100000211926 [1,1,0,0,0,0|0,0,2]=4 3912 B14R1.29 O=C(CCO)CC(O)c1ccccc1 1458a_100011216618_100000185958 [1,1,0,0,0,0|0,0,2]=4 3913 B14R1.29 O=C(CCO)C[C@@H](O)c1ccccc1 1458a_100011216618_100011933945 [1,1,0,0,0,0|0,0,2]=4 3914 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000184674 [1,1,0,0,0,0|1,0,1]=4 3915 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000184674 [1,1,0,0,0,0|1,0,1]=4 3916 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000184674 [1,1,0,0,0,0|1,0,1]=4 3917 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000184674 [1,1,0,0,0,0|1,0,1]=4 3918 B14R1.32 C#CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000184674 [1,1,0,0,0,0|1,0,1]=4 3919 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210623 [1,1,0,0,0,0|1,0,1]=4 3920 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210623 [1,1,0,0,0,0|1,0,1]=4 3921 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210623 [1,1,0,0,0,0|1,0,1]=4 3922 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210623 [1,1,0,0,0,0|1,0,1]=4 3923 B14R1.32 C=CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210623 [1,1,0,0,0,0|1,0,1]=4 3924 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210303 [1,1,0,0,0,0|1,0,0]=3 3925 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011215381 [1,1,0,0,0,0|1,0,0]=3 3926 B14R1.32 CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210303 [1,1,0,0,0,0|1,0,0]=3 3927 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210303 [1,1,0,0,0,0|1,0,0]=3 3928 B14R1.32 CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210303 [1,1,0,0,0,0|1,0,0]=3 3929 B14R1.32 CCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011215381 [1,1,0,0,0,0|1,0,0]=3 3930 B14R1.32 CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210303 [1,1,0,0,0,0|1,0,0]=3 3931 B14R1.32 CCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011215381 [1,1,0,0,0,0|1,0,0]=3 3932 B14R1.32 CCCC(=O)C=Cc1cncc(c1)Br 6a_100000687066_100011215381 [1,1,0,0,0,0|2,0,0]=4 3933 B14R1.32 CCCC(=O)C=Cc1cncc(c1)C 6a_100011998712_100011215381 [1,1,0,0,0,0|2,0,0]=4 3934 B14R1.32 CCCC(=O)C=Cc1cncc(c1)Cl 6a_100000088910_100011215381 [1,1,0,0,0,0|2,0,0]=4 3935 B14R1.32 CCCC(=O)C=Cc1cncc(c1)F 6a_100011361476_100011215381 [1,1,0,0,0,0|2,0,0]=4 3936 B14R1.32 CCNC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266304 [1,1,0,0,0,0|0,0,0]=2 3937 B14R1.32 CCNC(=O)C#Cc1cccc(c1)C 240690a_100015525214_100011892726 [1,1,0,0,0,0|0,0,2]=4 3938 B14R1.32 CCNC(=O)C#Cc1cccc(c1)Cl 240690a_100015525214_100011892777 [1,1,0,0,0,0|0,0,2]=4 3939 B14R1.32 CCNC(=O)C#Cc1cccc(c1)F 240690a_100015525214_100011892744 [1,1,0,0,0,0|0,0,2]=4 3940 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Br 11a_100015525214_100016258244 [1,1,0,0,0,0|0,0,0]=2 3941 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Br 240690a_100015525214_100016258244 [1,1,0,0,0,0|0,0,0]=2 3942 B14R1.32 CCNC(=O)C=Cc1cccc(c1)C 11a_100015525214_100000690095 [1,1,0,0,0,0|0,0,0]=2 3943 B14R1.32 CCNC(=O)C=Cc1cccc(c1)C 240690a_100015525214_100000690095 [1,1,0,0,0,0|0,0,0]=2 3944 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl 11a_100015525214_100000184502 [1,1,0,0,0,0|0,0,0]=2 3945 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100015525214_100000184502 [1,1,0,0,0,0|0,0,0]=2 3946 B14R1.32 CCNC(=O)C=Cc1cccc(c1)F 11a_100015525214_100000718793 [1,1,0,0,0,0|0,0,0]=2 3947 B14R1.32 CCNC(=O)C=Cc1cccc(c1)F 240690a_100015525214_100000718793 [1,1,0,0,0,0|0,0,0]=2 3948 B14R1.32 CCNC(=O)C=Cc1cccc(c1)I 11a_100015525214_100020647043 [1,1,0,0,0,0|0,0,0]=2 3949 B14R1.32 CCNC(=O)C=Cc1cccc(c1)I 240690a_100015525214_100020647043 [1,1,0,0,0,0|0,0,0]=2 3950 B14R1.32 CCNC(=O)CCc1cccc(c1)Br 11a_100015525214_100000184314 [1,1,0,0,0,0|0,0,2]=4 3951 B14R1.32 CCNC(=O)CCc1cccc(c1)Br 240690a_100015525214_100000184314 [1,1,0,0,0,0|0,0,2]=4 3952 B14R1.32 CCNC(=O)CCc1cccc(c1)Br 527a_100015525214_100000184314 [1,1,0,0,0,0|0,0,2]=4 3953 B14R1.32 CCNC(=O)CCc1cccc(c1)C 11a_100015525214_100000234952 [1,1,0,0,0,0|0,0,2]=4 3954 B14R1.32 CCNC(=O)CCc1cccc(c1)C 240690a_100015525214_100000234952 [1,1,0,0,0,0|0,0,2]=4 3955 B14R1.32 CCNC(=O)CCc1cccc(c1)C 527a_100015525214_100000234952 [1,1,0,0,0,0|0,0,2]=4 3956 B14R1.32 CCNC(=O)CCc1cccc(c1)Cl 11a_100015525214_100000235675 [1,1,0,0,0,0|0,0,2]=4 3957 B14R1.32 CCNC(=O)CCc1cccc(c1)Cl 240690a_100015525214_100000235675 [1,1,0,0,0,0|0,0,2]=4 3958 B14R1.32 CCNC(=O)CCc1cccc(c1)Cl 527a_100015525214_100000235675 [1,1,0,0,0,0|0,0,2]=4 3959 B14R1.32 CCNC(=O)CCc1cccc(c1)F 11a_100015525214_100000235673 [1,1,0,0,0,0|0,0,2]=4 3960 B14R1.32 CCNC(=O)CCc1cccc(c1)F 240690a_100015525214_100000235673 [1,1,0,0,0,0|0,0,2]=4 3961 B14R1.32 CCNC(=O)CCc1cccc(c1)F 527a_100015525214_100000235673 [1,1,0,0,0,0|0,0,2]=4 3962 B14R1.32 CCNC(=O)CCc1cccc(c1)I 11a_100015525214_100010007846 [1,1,0,0,0,0|0,0,2]=4 3963 B14R1.32 CCNC(=O)CCc1cccc(c1)I 240690a_100015525214_100010007846 [1,1,0,0,0,0|0,0,2]=4 3964 B14R1.32 CCNC(=O)CCc1cccc(c1)I 527a_100015525214_100010007846 [1,1,0,0,0,0|0,0,2]=4 3965 B14R1.32 CCNC(=O)CCc1cccc(c1)O 240690a_100015525214_100011216126 [1,1,0,0,0,0|0,0,2]=4 3966 B14R1.32 CCNC(=O)CCc1cccc(c1)O 527a_100015525214_100011216126 [1,1,0,0,0,0|0,0,2]=4 3967 B14R1.32 CCNC(=O)CNc1cccc(c1)Br 34a_100000210019_100000183381 [1,1,0,0,0,0|1,0,1]=4 3968 B14R1.32 CCNC(=O)CNc1cccc(c1)C 2230a_100000188690_100000183381 [1,1,0,0,0,0|1,0,1]=4 3969 B14R1.32 CCNC(=O)CNc1cccc(c1)C 34a_100000188690_100000183381 [1,1,0,0,0,0|1,0,1]=4 3970 B14R1.32 CCNC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000183381 [1,1,0,0,0,0|1,0,1]=4 3971 B14R1.32 CCNC(=O)CNc1cccc(c1)F 34a_100000210047_100000183381 [1,1,0,0,0,0|1,0,1]=4 3972 B14R1.32 CCNC(=O)CNc1cccc(c1)I 34a_100000211102_100000183381 [1,1,0,0,0,0|1,0,1]=4 3973 B14R1.32 CCNC(=O)CNc1cccc(c1)O 34a_100000210217_100000183381 [1,1,0,0,0,0|1,0,1]=4 3974 B14R1.32 CCNC(=O)COc1cccc(c1)Br 11a_100015525214_100000182359 [1,1,0,0,0,0|1,0,1]=4 3975 B14R1.32 CCNC(=O)COc1cccc(c1)Br 240690a_100015525214_100000182359 [1,1,0,0,0,0|1,0,1]=4 3976 B14R1.32 CCNC(=O)COc1cccc(c1)Br 34a_100000210342_100000183381 [1,1,0,0,0,0|1,0,1]=4 3977 B14R1.32 CCNC(=O)COc1cccc(c1)Br 527a_100015525214_100000182359 [1,1,0,0,0,0|1,0,1]=4 3978 B14R1.32 CCNC(=O)COc1cccc(c1)Br 7a_100000210342_100000183381 [1,1,0,0,0,0|1,0,1]=4 3979 B14R1.32 CCNC(=O)COc1cccc(c1)C 11a_100015525214_100000183606 [1,1,0,0,0,0|1,0,1]=4 3980 B14R1.32 CCNC(=O)COc1cccc(c1)C 240690a_100015525214_100000183606 [1,1,0,0,0,0|1,0,1]=4 3981 B14R1.32 CCNC(=O)COc1cccc(c1)C 34a_100000210337_100000183381 [1,1,0,0,0,0|1,0,1]=4 3982 B14R1.32 CCNC(=O)COc1cccc(c1)C 527a_100015525214_100000183606 [1,1,0,0,0,0|1,0,1]=4 3983 B14R1.32 CCNC(=O)COc1cccc(c1)C 7a_100000210337_100000183381 [1,1,0,0,0,0|1,0,1]=4 3984 B14R1.32 CCNC(=O)COc1cccc(c1)Cl 11a_100015525214_100000184978 [1,1,0,0,0,0|1,0,1]=4 3985 B14R1.32 CCNC(=O)COc1cccc(c1)Cl 240690a_100015525214_100000184978 [1,1,0,0,0,0|1,0,1]=4 3986 B14R1.32 CCNC(=O)COc1cccc(c1)Cl 34a_100000210295_100000183381 [1,1,0,0,0,0|1,0,1]=4 3987 B14R1.32 CCNC(=O)COc1cccc(c1)Cl 527a_100015525214_100000184978 [1,1,0,0,0,0|1,0,1]=4 3988 B14R1.32 CCNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000183381 [1,1,0,0,0,0|1,0,1]=4 3989 B14R1.32 CCNC(=O)COc1cccc(c1)F 11a_100015525214_100000182781 [1,1,0,0,0,0|1,0,1]=4 3990 B14R1.32 CCNC(=O)COc1cccc(c1)F 240690a_100015525214_100000182781 [1,1,0,0,0,0|1,0,1]=4 3991 B14R1.32 CCNC(=O)COc1cccc(c1)F 34a_100000210426_100000183381 [1,1,0,0,0,0|1,0,1]=4 3992 B14R1.32 CCNC(=O)COc1cccc(c1)F 527a_100015525214_100000182781 [1,1,0,0,0,0|1,0,1]=4 3993 B14R1.32 CCNC(=O)COc1cccc(c1)F 7a_100000210426_100000183381 [1,1,0,0,0,0|1,0,1]=4 3994 B14R1.32 CCNC(=O)COc1cccc(c1)I 34a_100000211634_100000183381 [1,1,0,0,0,0|1,0,1]=4 3995 B14R1.32 CCNC(=O)COc1cccc(c1)I 7a_100000211634_100000183381 [1,1,0,0,0,0|1,0,1]=4 3996 B14R1.32 CCNC(=O)COc1cccc(c1)N 34a_100000210217_100000183381 [1,1,0,0,0,0|1,0,1]=4 3997 B14R1.32 CCNC(=O)CSc1cccc(c1)Br 11a_100015525214_100000760868 [1,1,0,0,0,0|1,0,1]=4 3998 B14R1.32 CCNC(=O)CSc1cccc(c1)Br 240690a_100015525214_100000760868 [1,1,0,0,0,0|1,0,1]=4 3999 B14R1.32 CCNC(=O)CSc1cccc(c1)Br 527a_100015525214_100000760868 [1,1,0,0,0,0|1,0,1]=4 4000 B14R1.32 CCNC(=O)CSc1cccc(c1)Br 62a_100000183381_100000691529 [1,1,0,0,0,0|1,0,1]=4 4001 B14R1.32 CCNC(=O)CSc1cccc(c1)Br 62a_100000691529_100000183381 [1,1,0,0,0,0|1,0,1]=4 4002 B14R1.32 CCNC(=O)CSc1cccc(c1)C 62a_100000183381_100011215228 [1,1,0,0,0,0|1,0,1]=4 4003 B14R1.32 CCNC(=O)CSc1cccc(c1)C 62a_100011215228_100000183381 [1,1,0,0,0,0|1,0,1]=4 4004 B14R1.32 CCNC(=O)CSc1cccc(c1)Cl 62a_100000183381_100000699651 [1,1,0,0,0,0|1,0,1]=4 4005 B14R1.32 CCNC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000183381 [1,1,0,0,0,0|1,0,1]=4 4006 B14R1.32 CCNC(=O)CSc1cccc(c1)F 62a_100000183381_100000685547 [1,1,0,0,0,0|1,0,1]=4 4007 B14R1.32 CCNC(=O)CSc1cccc(c1)F 62a_100000685547_100000183381 [1,1,0,0,0,0|1,0,1]=4 4008 B14R1.32 CCNC(=O)CSc1cccc(c1)N 62a_100000183381_100000210019 [1,1,0,0,0,0|1,0,1]=4 4009 B14R1.32 CCNC(=O)CSc1cccc(c1)N 62a_100000210019_100000183381 [1,1,0,0,0,0|1,0,1]=4 4010 B14R1.32 CCNC(=O)CSc1cccc(c1)O 62a_100000183381_100000211634 [1,1,0,0,0,0|1,0,1]=4 4011 B14R1.32 CCNC(=O)CSc1cccc(c1)[S] 62a_100000183381_114929384022 [1,1,0,0,0,0|1,0,1]=4 4012 B14R1.32 CCNC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000183381 [1,1,0,0,0,0|1,0,1]=4 4013 B14R1.32 CCNC(=O)NCc1cccc(c1)Br 2708a_100000174977_100015525214 [1,1,0,0,0,0|1,0,1]=4 4014 B14R1.32 CCNC(=O)NCc1cccc(c1)Br 2708a_100015525214_100000174977 [1,1,0,0,0,0|1,0,1]=4 4015 B14R1.32 CCNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100015525214 [1,1,0,0,0,0|1,0,1]=4 4016 B14R1.32 CCNC(=O)NCc1cccc(c1)Br 273464a_100015525214_100000174977 [1,1,0,0,0,0|1,0,1]=4 4017 B14R1.32 CCNC(=O)NCc1cccc(c1)Br 512a_100000174977_100015525214 [1,1,0,0,0,0|1,0,1]=4 4018 B14R1.32 CCNC(=O)NCc1cccc(c1)Br 512a_100015525214_100000174977 [1,1,0,0,0,0|1,0,1]=4 4019 B14R1.32 CCNC(=O)NCc1cccc(c1)C 2708a_100000185548_100015525214 [1,1,0,0,0,0|1,0,1]=4 4020 B14R1.32 CCNC(=O)NCc1cccc(c1)C 2708a_100015525214_100000185548 [1,1,0,0,0,0|1,0,1]=4 4021 B14R1.32 CCNC(=O)NCc1cccc(c1)C 273464a_100000185548_100015525214 [1,1,0,0,0,0|1,0,1]=4 4022 B14R1.32 CCNC(=O)NCc1cccc(c1)C 273464a_100015525214_100000185548 [1,1,0,0,0,0|1,0,1]=4 4023 B14R1.32 CCNC(=O)NCc1cccc(c1)C 512a_100000185548_100015525214 [1,1,0,0,0,0|1,0,1]=4 4024 B14R1.32 CCNC(=O)NCc1cccc(c1)C 512a_100015525214_100000185548 [1,1,0,0,0,0|1,0,1]=4 4025 B14R1.32 CCNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_100015525214 [1,1,0,0,0,0|1,0,1]=4 4026 B14R1.32 CCNC(=O)NCc1cccc(c1)Cl 2708a_100015525214_100000174878 [1,1,0,0,0,0|1,0,1]=4 4027 B14R1.32 CCNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100015525214 [1,1,0,0,0,0|1,0,1]=4 4028 B14R1.32 CCNC(=O)NCc1cccc(c1)Cl 273464a_100015525214_100000174878 [1,1,0,0,0,0|1,0,1]=4 4029 B14R1.32 CCNC(=O)NCc1cccc(c1)Cl 512a_100000174878_100015525214 [1,1,0,0,0,0|1,0,1]=4 4030 B14R1.32 CCNC(=O)NCc1cccc(c1)Cl 512a_100015525214_100000174878 [1,1,0,0,0,0|1,0,1]=4 4031 B14R1.32 CCNC(=O)NCc1cccc(c1)F 2708a_100000174948_100015525214 [1,1,0,0,0,0|1,0,1]=4 4032 B14R1.32 CCNC(=O)NCc1cccc(c1)F 2708a_100015525214_100000174948 [1,1,0,0,0,0|1,0,1]=4 4033 B14R1.32 CCNC(=O)NCc1cccc(c1)F 273464a_100000174948_100015525214 [1,1,0,0,0,0|1,0,1]=4 4034 B14R1.32 CCNC(=O)NCc1cccc(c1)F 273464a_100015525214_100000174948 [1,1,0,0,0,0|1,0,1]=4 4035 B14R1.32 CCNC(=O)NCc1cccc(c1)F 512a_100000174948_100015525214 [1,1,0,0,0,0|1,0,1]=4 4036 B14R1.32 CCNC(=O)NCc1cccc(c1)F 512a_100015525214_100000174948 [1,1,0,0,0,0|1,0,1]=4 4037 B14R1.32 CCNC(=O)NCc1cccc(c1)I 2708a_100000106179_100015525214 [1,1,0,0,0,0|1,0,1]=4 4038 B14R1.32 CCNC(=O)NCc1cccc(c1)I 2708a_100015525214_100000106179 [1,1,0,0,0,0|1,0,1]=4 4039 B14R1.32 CCNC(=O)NCc1cccc(c1)I 273464a_100000106179_100015525214 [1,1,0,0,0,0|1,0,1]=4 4040 B14R1.32 CCNC(=O)NCc1cccc(c1)I 273464a_100015525214_100000106179 [1,1,0,0,0,0|1,0,1]=4 4041 B14R1.32 CCNC(=O)NCc1cccc(c1)I 512a_100000106179_100015525214 [1,1,0,0,0,0|1,0,1]=4 4042 B14R1.32 CCNC(=O)NCc1cccc(c1)I 512a_100015525214_100000106179 [1,1,0,0,0,0|1,0,1]=4 4043 B14R1.32 CCNC(=O)NCc1cccc(c1)O 2708a_100000743036_100015525214 [1,1,0,0,0,0|1,0,1]=4 4044 B14R1.32 CCNC(=O)NCc1cccc(c1)O 2708a_100015525214_100000743036 [1,1,0,0,0,0|1,0,1]=4 4045 B14R1.32 CCNC(=O)NCc1cccc(c1)O 273464a_100000743036_100015525214 [1,1,0,0,0,0|1,0,1]=4 4046 B14R1.32 CCNC(=O)NCc1cccc(c1)O 273464a_100015525214_100000743036 [1,1,0,0,0,0|1,0,1]=4 4047 B14R1.32 CCNC(=O)NCc1cccc(c1)O 512a_100000743036_100015525214 [1,1,0,0,0,0|1,0,1]=4 4048 B14R1.32 CCNC(=O)NCc1cccc(c1)O 512a_100015525214_100000743036 [1,1,0,0,0,0|1,0,1]=4 4049 B14R1.32 CCNC(=O)NNc1cccc(c1)Br 273464a_100015525214_100000217339 [1,1,0,0,0,0|2,0,0]=4 4050 B14R1.32 CCNC(=O)NNc1cccc(c1)Br 512a_100000217339_100015525214 [1,1,0,0,0,0|2,0,0]=4 4051 B14R1.32 CCNC(=O)NNc1cccc(c1)Br 512a_100015525214_100000217339 [1,1,0,0,0,0|2,0,0]=4 4052 B14R1.32 CCNC(=O)NNc1cccc(c1)C 273464a_100015525214_100000681630 [1,1,0,0,0,0|2,0,0]=4 4053 B14R1.32 CCNC(=O)NNc1cccc(c1)C 512a_100000681630_100015525214 [1,1,0,0,0,0|2,0,0]=4 4054 B14R1.32 CCNC(=O)NNc1cccc(c1)C 512a_100015525214_100000681630 [1,1,0,0,0,0|2,0,0]=4 4055 B14R1.32 CCNC(=O)NNc1cccc(c1)Cl 273464a_100015525214_100000184277 [1,1,0,0,0,0|2,0,0]=4 4056 B14R1.32 CCNC(=O)NNc1cccc(c1)Cl 512a_100015525214_100000184277 [1,1,0,0,0,0|2,0,0]=4 4057 B14R1.32 CCNC(=O)NNc1cccc(c1)F 273464a_100015525214_100000745080 [1,1,0,0,0,0|2,0,0]=4 4058 B14R1.32 CCNC(=O)NNc1cccc(c1)F 512a_100000745080_100015525214 [1,1,0,0,0,0|2,0,0]=4 4059 B14R1.32 CCNC(=O)NNc1cccc(c1)F 512a_100015525214_100000745080 [1,1,0,0,0,0|2,0,0]=4 4060 B14R1.32 CCNC(=O)NNc1cccc(c1)I 273464a_100015525214_100020605690 [1,1,0,0,0,0|2,0,0]=4 4061 B14R1.32 CCNC(=O)NNc1cccc(c1)I 512a_100015525214_100020605690 [1,1,0,0,0,0|2,0,0]=4 4062 B14R1.32 CCNC(=O)NNc1cccc(c1)I 512a_100020605690_100015525214 [1,1,0,0,0,0|2,0,0]=4 4063 B14R1.32 CCOC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016304034 [1,1,0,0,0,0|1,0,0]=3 4064 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)C 271570a_100010199719_100000750283 [1,1,0,0,0,0|2,0,0]=4 4065 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)Cl 271570a_100010199719_100010167805 [1,1,0,0,0,0|2,0,0]=4 4066 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)F 271570a_100010199719_100009817058 [1,1,0,0,0,0|2,0,0]=4 4067 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)N 271570a_100010199719_100009814236 [1,1,0,0,0,0|2,0,0]=4 4068 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)O 271570a_100010199719_100000762945 [1,1,0,0,0,0|2,0,0]=4 4069 B14R1.32 CCOC(=O)C=Cc1cc[nH]c(=O)c1 271570a_100010199719_100009816521 [1,1,0,0,0,0|2,0,0]=4 4070 B14R1.32 CCOC(=O)C=Cc1ccc[n+](c1)C 271570a_100010199719_100009996589 [1,1,0,0,0,0|2,0,0]=4 4071 B14R1.32 CCOC(=O)C=Cc1ccc[n+](c1)[O-] 271570a_100010199719_100009815978 [1,1,0,0,0,0|2,0,0]=4 4072 B14R1.32 CCOC(=O)C=Cc1cccc(=O)[nH]1 271570a_100010199719_100000761760 [1,1,0,0,0,0|2,0,0]=4 4073 B14R1.32 CCOC(=O)C=Cc1cccc(c1)Br 271570a_100010199719_100000691529 [1,1,0,0,0,0|1,0,0]=3 4074 B14R1.32 CCOC(=O)C=Cc1cccc(c1)C 271570a_100010199719_100011215228 [1,1,0,0,0,0|1,0,0]=3 4075 B14R1.32 CCOC(=O)C=Cc1cccc(c1)Cl 271570a_100010199719_100000699651 [1,1,0,0,0,0|1,0,0]=3 4076 B14R1.32 CCOC(=O)C=Cc1cccc(c1)F 271570a_100010199719_100000685547 [1,1,0,0,0,0|1,0,0]=3 4077 B14R1.32 CCOC(=O)C=Cc1cccc(c1)N 271570a_100010199719_100000210019 [1,1,0,0,0,0|1,0,0]=3 4078 B14R1.32 CCOC(=O)C=Cc1cccc(c1)O 271570a_100010199719_100000211634 [1,1,0,0,0,0|1,0,0]=3 4079 B14R1.32 CCOC(=O)C=Cc1cccc(c1)[S] 271570a_100010199719_114929384022 [1,1,0,0,0,0|1,0,0]=3 4080 B14R1.32 CCOC(=O)C=Cc1cccc(n1)Br 271570a_100010199719_100000684672 [1,1,0,0,0,0|2,0,0]=4 4081 B14R1.32 CCOC(=O)C=Cc1cccc(n1)C 271570a_100010199719_100000742759 [1,1,0,0,0,0|2,0,0]=4 4082 B14R1.32 CCOC(=O)C=Cc1cccc(n1)F 271570a_100010199719_100009815982 [1,1,0,0,0,0|2,0,0]=4 4083 B14R1.32 CCOC(=O)C=Cc1cccc(n1)N 271570a_100010199719_100000740741 [1,1,0,0,0,0|2,0,0]=4 4084 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)Br 271570a_100010199719_100009814637 [1,1,0,0,0,0|2,0,0]=4 4085 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)C 271570a_100010199719_100000758586 [1,1,0,0,0,0|2,0,0]=4 4086 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)Cl 271570a_100010199719_100000035001 [1,1,0,0,0,0|2,0,0]=4 4087 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)F 271570a_100010199719_100009816116 [1,1,0,0,0,0|2,0,0]=4 4088 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)N 271570a_100010199719_100000744379 [1,1,0,0,0,0|2,0,0]=4 4089 B14R1.32 CCOC(=O)C=Cc1cncc(c1)Br 271570a_100010199719_100000728054 [1,1,0,0,0,0|2,0,0]=4 4090 B14R1.32 CCOC(=O)C=Cc1cncc(c1)C 271570a_100010199719_100000760492 [1,1,0,0,0,0|2,0,0]=4 4091 B14R1.32 CCOC(=O)C=Cc1cncc(c1)Cl 271570a_100010199719_100000049639 [1,1,0,0,0,0|2,0,0]=4 4092 B14R1.32 CCOC(=O)C=Cc1cncc(c1)F 271570a_100010199719_100000744099 [1,1,0,0,0,0|2,0,0]=4 4093 B14R1.32 CCOC(=O)C=Cc1cncc(c1)N 271570a_100010199719_100000687067 [1,1,0,0,0,0|2,0,0]=4 4094 B14R1.32 CCOC(=O)C=Cc1cncc(c1)O 271570a_100010199719_100000754920 [1,1,0,0,0,0|2,0,0]=4 4095 B14R1.32 CNNC(=O)C=Cc1cccc(c1)Br 22a_100016993582_100016258244 [1,1,0,0,0,0|1,0,0]=3 4096 B14R1.32 CNNC(=O)C=Cc1cccc(c1)C 22a_100016993582_100000690095 [1,1,0,0,0,0|1,0,0]=3 4097 B14R1.32 CNNC(=O)C=Cc1cccc(c1)Cl 22a_100016993582_100000184502 [1,1,0,0,0,0|1,0,0]=3 4098 B14R1.32 CNNC(=O)C=Cc1cccc(c1)F 22a_100016993582_100000718793 [1,1,0,0,0,0|1,0,0]=3 4099 B14R1.32 CNNC(=O)C=Cc1cccc(c1)I 22a_100016993582_100020647043 [1,1,0,0,0,0|1,0,0]=3 4100 B14R1.32 CNNC(=O)C=Cc1cccc(c1)O 22a_100016993582_100102525460 [1,1,0,0,0,0|1,0,0]=3 4101 B14R1.32 COCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000211753 [1,1,0,0,0,0|2,0,0]=4 4102 B14R1.32 COCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000211753 [1,1,0,0,0,0|2,0,0]=4 4103 B14R1.32 COCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000211753 [1,1,0,0,0,0|2,0,0]=4 4104 B14R1.32 CSCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011216314 [1,1,0,0,0,0|2,0,0]=4 4105 B14R1.32 CSCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011216314 [1,1,0,0,0,0|2,0,0]=4 4106 B14R1.32 CSCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011216314 [1,1,0,0,0,0|2,0,0]=4 4107 B14R1.32 Cc1cccc(c1)C#CC(=O)CCO 1458a_100011892726_100000211926 [1,1,0,0,0,0|0,0,2]=4 4108 B14R1.32 Cc1cccc(c1)C=CC(=O)CC#N 1458a_100000690095_100011214920 [1,1,0,0,0,0|1,0,1]=4 4109 B14R1.32 Cc1cccc(c1)C=CC(=O)CCF 1458a_100000690095_100011217306 [1,1,0,0,0,0|1,0,0]=3 4110 B14R1.32 Cc1cccc(c1)C=CC(=O)CCO 1458a_100000690095_100000211926 [1,1,0,0,0,0|0,0,0]=2 4111 B14R1.32 Cc1cccc(c1)CCC(=O)CCO 1458a_100000234952_100000211926 [1,1,0,0,0,0|0,0,2]=4 4112 B14R1.32 Cc1cccc(c1)CCC(=O)CCO 1458a_100011216618_100011713685 [1,1,0,0,0,0|0,0,2]=4 4113 B14R1.32 Cc1cccc(c1)CNC(=O)CCO 240690a_100000185548_100011216618 [1,1,0,0,0,0|1,0,1]=4 4114 B14R1.32 Cc1cccc(c1)NCC(=O)NCO 2230a_100000188690_100000185155 [1,1,0,0,0,0|1,0,1]=4 4115 B14R1.32 Cc1cccc(c1)NCC(=O)NCO 34a_100000188690_100000185155 [1,1,0,0,0,0|1,0,1]=4 4116 B14R1.32 Cc1cccc(c1)NNC(=O)CCO 22a_100000681630_100011216618 [1,1,0,0,0,0|2,0,0]=4 4117 B14R1.32 Cc1cccc(c1)OCC(=O)CCO 1458a_100000183606_100000211926 [1,1,0,0,0,0|1,0,1]=4 4118 B14R1.32 Cc1cccc(c1)OCC(=O)NCO 34a_100000210337_100000185155 [1,1,0,0,0,0|1,0,1]=4 4119 B14R1.32 Cc1cccc(c1)OCC(=O)NCO 7a_100000210337_100000185155 [1,1,0,0,0,0|1,0,1]=4 4120 B14R1.32 Cc1cccc(c1)SCC(=O)NCO 62a_100000185155_100011215228 [1,1,0,0,0,0|1,0,1]=4 4121 B14R1.32 Cc1cccc(c1)SCC(=O)NCO 62a_100011215228_100000185155 [1,1,0,0,0,0|1,0,1]=4 4122 B14R1.32 Cc1cncc(c1)C=CC(=O)CCBr 6a_100011998712_100011261029 [1,1,0,0,0,0|2,0,0]=4 4123 B14R1.32 Cc1cncc(c1)C=CC(=O)CCCl 6a_100011998712_100000053229 [1,1,0,0,0,0|2,0,0]=4 4124 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011214920 [1,1,0,0,0,0|1,0,1]=4 4125 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000184835 [1,1,0,0,0,0|1,0,1]=4 4126 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011214920 [1,1,0,0,0,0|1,0,1]=4 4127 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011214920 [1,1,0,0,0,0|1,0,1]=4 4128 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000184835 [1,1,0,0,0,0|1,0,1]=4 4129 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011214920 [1,1,0,0,0,0|1,0,1]=4 4130 B14R1.32 N#CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000184835 [1,1,0,0,0,0|1,0,1]=4 4131 B14R1.32 Nc1cccc(c1)OCC(=O)NCO 34a_100000210217_100000185155 [1,1,0,0,0,0|1,0,1]=4 4132 B14R1.32 Nc1cccc(c1)SCC(=O)NCO 62a_100000185155_100000210019 [1,1,0,0,0,0|1,0,1]=4 4133 B14R1.32 Nc1cccc(c1)SCC(=O)NCO 62a_100000210019_100000185155 [1,1,0,0,0,0|1,0,1]=4 4134 B14R1.32 O=C(C#Cc1cccc(c1)Br)CCO 1458a_100012100324_100000211926 [1,1,0,0,0,0|0,0,2]=4 4135 B14R1.32 O=C(C#Cc1cccc(c1)Cl)CCO 1458a_100011892777_100000211926 [1,1,0,0,0,0|0,0,2]=4 4136 B14R1.32 O=C(C#Cc1cccc(c1)F)CCO 1458a_100011892744_100000211926 [1,1,0,0,0,0|0,0,2]=4 4137 B14R1.32 O=C(C#Cc1cccc(c1)O)CCO 1458a_200009909484_100000211926 [1,1,0,0,0,0|0,0,2]=4 4138 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCBr 6a_100000210085_100011261029 [1,1,0,0,0,0|1,0,0]=3 4139 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCCl 6a_100000210085_100000053229 [1,1,0,0,0,0|1,0,0]=3 4140 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCF 1458a_100016258244_100011217306 [1,1,0,0,0,0|1,0,0]=3 4141 B14R1.32 O=C(C=Cc1cccc(c1)Br)CCO 1458a_100016258244_100000211926 [1,1,0,0,0,0|0,0,0]=2 4142 B14R1.32 O=C(C=Cc1cccc(c1)Cl)CCF 1458a_100000184502_100011217306 [1,1,0,0,0,0|1,0,0]=3 4143 B14R1.32 O=C(C=Cc1cccc(c1)Cl)CCO 1458a_100000184502_100000211926 [1,1,0,0,0,0|0,0,0]=2 4144 B14R1.32 O=C(C=Cc1cccc(c1)F)CCBr 6a_100000210812_100011261029 [1,1,0,0,0,0|1,0,0]=3 4145 B14R1.32 O=C(C=Cc1cccc(c1)F)CCCl 6a_100000210812_100000053229 [1,1,0,0,0,0|1,0,0]=3 4146 B14R1.32 O=C(C=Cc1cccc(c1)F)CCF 1458a_100000718793_100011217306 [1,1,0,0,0,0|1,0,0]=3 4147 B14R1.32 O=C(C=Cc1cccc(c1)F)CCO 1458a_100000718793_100000211926 [1,1,0,0,0,0|0,0,0]=2 4148 B14R1.32 O=C(C=Cc1cccc(c1)I)CCBr 6a_100000014684_100011261029 [1,1,0,0,0,0|1,0,0]=3 4149 B14R1.32 O=C(C=Cc1cccc(c1)I)CCCl 6a_100000014684_100000053229 [1,1,0,0,0,0|1,0,0]=3 4150 B14R1.32 O=C(C=Cc1cccc(c1)I)CCF 1458a_100020647043_100011217306 [1,1,0,0,0,0|1,0,0]=3 4151 B14R1.32 O=C(C=Cc1cccc(c1)I)CCO 1458a_100020647043_100000211926 [1,1,0,0,0,0|0,0,0]=2 4152 B14R1.32 O=C(C=Cc1cncc(c1)Br)CCBr 6a_100000687066_100011261029 [1,1,0,0,0,0|2,0,0]=4 4153 B14R1.32 O=C(C=Cc1cncc(c1)Br)CCCl 6a_100000687066_100000053229 [1,1,0,0,0,0|2,0,0]=4 4154 B14R1.32 O=C(C=Cc1cncc(c1)Cl)CCBr 6a_100000088910_100011261029 [1,1,0,0,0,0|2,0,0]=4 4155 B14R1.32 O=C(C=Cc1cncc(c1)Cl)CCCl 6a_100000088910_100000053229 [1,1,0,0,0,0|2,0,0]=4 4156 B14R1.32 O=C(C=Cc1cncc(c1)F)CCBr 6a_100011361476_100011261029 [1,1,0,0,0,0|2,0,0]=4 4157 B14R1.32 O=C(C=Cc1cncc(c1)F)CCCl 6a_100011361476_100000053229 [1,1,0,0,0,0|2,0,0]=4 4158 B14R1.32 O=C(CCO)CCc1cccc(c1)Br 1458a_100000184314_100000211926 [1,1,0,0,0,0|0,0,2]=4 4159 B14R1.32 O=C(CCO)CCc1cccc(c1)Br 1458a_100011216618_100011740638 [1,1,0,0,0,0|0,0,2]=4 4160 B14R1.32 O=C(CCO)CCc1cccc(c1)Cl 1458a_100000235675_100000211926 [1,1,0,0,0,0|0,0,2]=4 4161 B14R1.32 O=C(CCO)CCc1cccc(c1)Cl 1458a_100011216618_100011713710 [1,1,0,0,0,0|0,0,2]=4 4162 B14R1.32 O=C(CCO)CCc1cccc(c1)F 1458a_100000235673_100000211926 [1,1,0,0,0,0|0,0,2]=4 4163 B14R1.32 O=C(CCO)CCc1cccc(c1)F 1458a_100011216618_100011217235 [1,1,0,0,0,0|0,0,2]=4 4164 B14R1.32 O=C(CCO)CCc1cccc(c1)I 1458a_100010007846_100000211926 [1,1,0,0,0,0|0,0,2]=4 4165 B14R1.32 O=C(CCO)CCc1cccc(c1)O 1458a_100011216126_100000211926 [1,1,0,0,0,0|0,0,2]=4 4166 B14R1.32 O=C(CCO)COc1cccc(c1)Br 1458a_100000182359_100000211926 [1,1,0,0,0,0|1,0,1]=4 4167 B14R1.32 O=C(CCO)COc1cccc(c1)Cl 1458a_100000184978_100000211926 [1,1,0,0,0,0|1,0,1]=4 4168 B14R1.32 O=C(CCO)COc1cccc(c1)F 1458a_100000182781_100000211926 [1,1,0,0,0,0|1,0,1]=4 4169 B14R1.32 O=C(CCO)CSc1cccc(c1)Br 1458a_100000760868_100000211926 [1,1,0,0,0,0|1,0,1]=4 4170 B14R1.32 O=C(CCO)NCc1cccc(c1)Br 240690a_100000174977_100011216618 [1,1,0,0,0,0|1,0,1]=4 4171 B14R1.32 O=C(CCO)NCc1cccc(c1)Cl 240690a_100000174878_100011216618 [1,1,0,0,0,0|1,0,1]=4 4172 B14R1.32 O=C(CCO)NCc1cccc(c1)F 240690a_100000174948_100011216618 [1,1,0,0,0,0|1,0,1]=4 4173 B14R1.32 O=C(CCO)NCc1cccc(c1)I 240690a_100000106179_100011216618 [1,1,0,0,0,0|1,0,1]=4 4174 B14R1.32 O=C(CCO)NCc1cccc(c1)O 240690a_100000743036_100011216618 [1,1,0,0,0,0|1,0,1]=4 4175 B14R1.32 O=C(CCO)NNc1cccc(c1)Br 22a_100000217339_100011216618 [1,1,0,0,0,0|2,0,0]=4 4176 B14R1.32 O=C(CCO)NNc1cccc(c1)Cl 22a_100000184277_100011216618 [1,1,0,0,0,0|2,0,0]=4 4177 B14R1.32 O=C(CCO)NNc1cccc(c1)F 22a_100000745080_100011216618 [1,1,0,0,0,0|2,0,0]=4 4178 B14R1.32 O=C(CCO)NNc1cccc(c1)I 22a_100020605690_100011216618 [1,1,0,0,0,0|2,0,0]=4 4179 B14R1.32 O=C(CNc1cccc(c1)Br)NCO 34a_100000210019_100000185155 [1,1,0,0,0,0|1,0,1]=4 4180 B14R1.32 O=C(CNc1cccc(c1)Cl)NCO 34a_100000185859_100000185155 [1,1,0,0,0,0|1,0,1]=4 4181 B14R1.32 O=C(CNc1cccc(c1)F)NCO 34a_100000210047_100000185155 [1,1,0,0,0,0|1,0,1]=4 4182 B14R1.32 O=C(CNc1cccc(c1)I)NCO 34a_100000211102_100000185155 [1,1,0,0,0,0|1,0,1]=4 4183 B14R1.32 O=C(CNc1cccc(c1)O)NCO 34a_100000210217_100000185155 [1,1,0,0,0,0|1,0,1]=4 4184 B14R1.32 O=C(COc1cccc(c1)Br)NCO 34a_100000210342_100000185155 [1,1,0,0,0,0|1,0,1]=4 4185 B14R1.32 O=C(COc1cccc(c1)Br)NCO 7a_100000210342_100000185155 [1,1,0,0,0,0|1,0,1]=4 4186 B14R1.32 O=C(COc1cccc(c1)Cl)NCO 34a_100000210295_100000185155 [1,1,0,0,0,0|1,0,1]=4 4187 B14R1.32 O=C(COc1cccc(c1)Cl)NCO 7a_100000210295_100000185155 [1,1,0,0,0,0|1,0,1]=4 4188 B14R1.32 O=C(COc1cccc(c1)F)NCO 34a_100000210426_100000185155 [1,1,0,0,0,0|1,0,1]=4 4189 B14R1.32 O=C(COc1cccc(c1)F)NCO 7a_100000210426_100000185155 [1,1,0,0,0,0|1,0,1]=4 4190 B14R1.32 O=C(COc1cccc(c1)I)NCO 34a_100000211634_100000185155 [1,1,0,0,0,0|1,0,1]=4 4191 B14R1.32 O=C(COc1cccc(c1)I)NCO 7a_100000211634_100000185155 [1,1,0,0,0,0|1,0,1]=4 4192 B14R1.32 O=C(CSc1cccc(c1)Br)NCO 62a_100000185155_100000691529 [1,1,0,0,0,0|1,0,1]=4 4193 B14R1.32 O=C(CSc1cccc(c1)Br)NCO 62a_100000691529_100000185155 [1,1,0,0,0,0|1,0,1]=4 4194 B14R1.32 O=C(CSc1cccc(c1)Cl)NCO 62a_100000185155_100000699651 [1,1,0,0,0,0|1,0,1]=4 4195 B14R1.32 O=C(CSc1cccc(c1)Cl)NCO 62a_100000699651_100000185155 [1,1,0,0,0,0|1,0,1]=4 4196 B14R1.32 O=C(CSc1cccc(c1)F)NCO 62a_100000185155_100000685547 [1,1,0,0,0,0|1,0,1]=4 4197 B14R1.32 O=C(CSc1cccc(c1)F)NCO 62a_100000685547_100000185155 [1,1,0,0,0,0|1,0,1]=4 4198 B14R1.32 O=C(CSc1cccc(c1)O)NCO 62a_100000185155_100000211634 [1,1,0,0,0,0|1,0,1]=4 4199 B14R1.32 O=C(CSc1cccc(c1)[S])NCO 62a_100000185155_114929384022 [1,1,0,0,0,0|1,0,1]=4 4200 B14R1.32 O=C(CSc1cccc(c1)[S])NCO 62a_114929384022_100000185155 [1,1,0,0,0,0|1,0,1]=4 4201 B14R1.60 C#CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000184674 [1,1,0,0,0,0|1,0,1]=4 4202 B14R1.60 C#CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000184674 [1,1,0,0,0,0|1,0,1]=4 4203 B14R1.60 C#CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000184674 [1,1,0,0,0,0|1,0,1]=4 4204 B14R1.60 C/C(=C\c1ccccc1)/C(=O)CC#N 1458a_100016990649_100011214920 [1,1,0,0,0,0|1,0,1]=4 4205 B14R1.60 C/C(=C\c1ccccc1)/C(=O)CCF 1458a_100016990649_100011217306 [1,1,0,0,0,0|1,0,0]=3 4206 B14R1.60 C/C(=C\c1ccccc1)/C(=O)CCO 1458a_100016990649_100000211926 [1,1,0,0,0,0|0,0,0]=2 4207 B14R1.60 C/C(=C\c1ccccn1)/C(=O)CCF 1458a_100025712827_100011217306 [1,1,0,0,0,0|2,0,0]=4 4208 B14R1.60 C/C(=C\c1ccccn1)/C(=O)CCO 1458a_100025712827_100000211926 [1,1,0,0,0,0|1,0,0]=3 4209 B14R1.60 C=C(Cc1ccccc1)C(=O)NCC 11a_100015525214_100000066491 [1,1,0,0,0,0|0,0,1]=3 4210 B14R1.60 C=C(Cc1ccccc1)C(=O)NNC 22a_100016993582_100000066491 [1,1,0,0,0,0|1,0,1]=4 4211 B14R1.60 C=CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210623 [1,1,0,0,0,0|1,0,1]=4 4212 B14R1.60 C=CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210623 [1,1,0,0,0,0|1,0,1]=4 4213 B14R1.60 C=CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210623 [1,1,0,0,0,0|1,0,1]=4 4214 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100000754839_100000211926 [1,1,0,0,0,0|0,0,2]=4 4215 B14R1.60 CC(Cc1ccccc1)C(=O)CCO 1458a_100011216618_200011218536 [1,1,0,0,0,0|0,0,2]=4 4216 B14R1.60 CC(Oc1ccccc1)C(=O)CCO 1458a_100000188414_100000211926 [1,1,0,0,0,0|1,0,1]=4 4217 B14R1.60 CC(Sc1ccccc1)C(=O)CCO 1458a_100000199063_100000211926 [1,1,0,0,0,0|1,0,1]=4 4218 B14R1.60 CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210303 [1,1,0,0,0,0|1,0,0]=3 4219 B14R1.60 CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210303 [1,1,0,0,0,0|1,0,0]=3 4220 B14R1.60 CCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210303 [1,1,0,0,0,0|2,0,0]=4 4221 B14R1.60 CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210303 [1,1,0,0,0,0|1,0,0]=3 4222 B14R1.60 CCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210303 [1,1,0,0,0,0|2,0,0]=4 4223 B14R1.60 CCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210303 [1,1,0,0,0,0|2,0,0]=4 4224 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/C 11a_100015525214_100016990649 [1,1,0,0,0,0|0,0,0]=2 4225 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/C 527a_100015525214_100016990649 [1,1,0,0,0,0|0,0,0]=2 4226 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100015525214_200020598536 [1,1,0,0,0,0|0,0,0]=2 4227 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100015525214_200020598536 [1,1,0,0,0,0|0,0,0]=2 4228 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100015525214_200020598536 [1,1,0,0,0,0|0,0,0]=2 4229 B14R1.60 CCNC(=O)/C(=C/c1ccccn1)/C 11a_100015525214_100025712827 [1,1,0,0,0,0|1,0,0]=3 4230 B14R1.60 CCNC(=O)/C(=C/c1ccccn1)/C 527a_100015525214_100025712827 [1,1,0,0,0,0|1,0,0]=3 4231 B14R1.60 CCNC(=O)/C(=C\c1ccccc1)/F 11a_100015525214_100020889036 [1,1,0,0,0,0|0,0,0]=2 4232 B14R1.60 CCNC(=O)/C(=C\c1ccccc1)/F 527a_100015525214_100020889036 [1,1,0,0,0,0|0,0,0]=2 4233 B14R1.60 CCNC(=O)C(=Cc1cccnc1)F 11a_100015525214_100000731744 [1,1,0,0,0,0|1,0,0]=3 4234 B14R1.60 CCNC(=O)C(=Cc1cccnc1)F 240690a_100015525214_100000731744 [1,1,0,0,0,0|1,0,0]=3 4235 B14R1.60 CCNC(=O)C(=Cc1cccnc1)F 527a_100015525214_100000731744 [1,1,0,0,0,0|1,0,0]=3 4236 B14R1.60 CCNC(=O)C(=O)Cc1ccccc1 1458a_200011297158_100015291786 [1,1,0,0,0,0|0,0,1]=3 4237 B14R1.60 CCNC(=O)C(=O)Cc1ccccn1 1458a_200011297158_100000721315 [1,1,0,0,0,0|1,0,1]=4 4238 B14R1.60 CCNC(=O)C(=O)Cc1cccnc1 1458a_200011297158_100000733263 [1,1,0,0,0,0|1,0,1]=4 4239 B14R1.60 CCNC(=O)C(=O)Cc1ccncc1 1458a_200011297158_100000705612 [1,1,0,0,0,0|1,0,1]=4 4240 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_200011297158 [1,1,0,0,0,0|1,0,0]=3 4241 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 22a_100000106764_200011297158 [1,1,0,0,0,0|1,0,0]=3 4242 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 240690a_100015525214_100000738435 [1,1,0,0,0,0|1,0,0]=3 4243 B14R1.60 CCNC(=O)C(=O)Nc1ccccc1 527a_100000106764_200011297158 [1,1,0,0,0,0|1,0,0]=3 4244 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 11a_100015525214_100000754839 [1,1,0,0,0,0|0,0,2]=4 4245 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 240690a_100015525214_100000754839 [1,1,0,0,0,0|0,0,2]=4 4246 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 527a_100015525214_100000754839 [1,1,0,0,0,0|0,0,2]=4 4247 B14R1.60 CCNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000230173 [1,1,0,0,0,0|1,0,1]=4 4248 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 11a_100015525214_100000188414 [1,1,0,0,0,0|1,0,1]=4 4249 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 240690a_100015525214_100000188414 [1,1,0,0,0,0|1,0,1]=4 4250 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000230173 [1,1,0,0,0,0|1,0,1]=4 4251 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 527a_100015525214_100000188414 [1,1,0,0,0,0|1,0,1]=4 4252 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000230173 [1,1,0,0,0,0|1,0,1]=4 4253 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 11a_100015525214_100000199063 [1,1,0,0,0,0|1,0,1]=4 4254 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 240690a_100015525214_100000199063 [1,1,0,0,0,0|1,0,1]=4 4255 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 527a_100015525214_100000199063 [1,1,0,0,0,0|1,0,1]=4 4256 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 62a_100000230173_100000041952 [1,1,0,0,0,0|1,0,1]=4 4257 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000230173 [1,1,0,0,0,0|1,0,1]=4 4258 B14R1.60 CCNC(=O)N(C)Cc1ccccc1 2708a_100015525214_100000186898 [1,1,0,0,0,0|1,0,1]=4 4259 B14R1.60 CCNC(=O)N(C)Cc1ccccc1 273464a_100015525214_100000186898 [1,1,0,0,0,0|1,0,1]=4 4260 B14R1.60 CCNC(=O)[C@H](O)Cc1ccccc1 240690a_100015525214_100009816399 [1,1,0,0,0,0|0,0,2]=4 4261 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 11a_100000106764_100014798877 [1,1,0,0,0,0|2,0,0]=4 4262 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100014798877 [1,1,0,0,0,0|2,0,0]=4 4263 B14R1.60 CN(Cc1ccccc1)C(=O)CCO 240690a_100000186898_100011216618 [1,1,0,0,0,0|1,0,1]=4 4264 B14R1.60 CNNC(=O)/C(=C/c1ccccc1)/C 22a_100016993582_100016990649 [1,1,0,0,0,0|1,0,0]=3 4265 B14R1.60 CNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100016993582_200020598536 [1,1,0,0,0,0|1,0,0]=3 4266 B14R1.60 CNNC(=O)/C(=C/c1ccccn1)/C 22a_100016993582_100025712827 [1,1,0,0,0,0|2,0,0]=4 4267 B14R1.60 CNNC(=O)/C(=C\c1ccccc1)/F 22a_100016993582_100020889036 [1,1,0,0,0,0|1,0,0]=3 4268 B14R1.60 CNNC(=O)C(=Cc1cccnc1)F 22a_100016993582_100000731744 [1,1,0,0,0,0|2,0,0]=4 4269 B14R1.60 CNNC(=O)C(=O)Nc1ccccc1 22a_100016993582_100000738435 [1,1,0,0,0,0|2,0,0]=4 4270 B14R1.60 N#CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011214920 [1,1,0,0,0,0|1,0,1]=4 4271 B14R1.60 N#CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011214920 [1,1,0,0,0,0|1,0,1]=4 4272 B14R1.60 O=C(CCF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011217306 [1,1,0,0,0,0|1,0,0]=3 4273 B14R1.60 O=C(CCF)/C(=C\c1ccccc1)/F 1458a_100020889036_100011217306 [1,1,0,0,0,0|1,0,0]=3 4274 B14R1.60 O=C(CCF)C(=Cc1cccnc1)F 1458a_100000731744_100011217306 [1,1,0,0,0,0|2,0,0]=4 4275 B14R1.60 O=C(CCF)C(=O)Nc1ccccc1 1458a_100000738435_100011217306 [1,1,0,0,0,0|2,0,0]=4 4276 B14R1.60 O=C(CCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000211926 [1,1,0,0,0,0|0,0,0]=2 4277 B14R1.60 O=C(CCO)/C(=C\c1ccccc1)/F 1458a_100020889036_100000211926 [1,1,0,0,0,0|0,0,0]=2 4278 B14R1.60 O=C(CCO)C(=Cc1cccnc1)F 1458a_100000731744_100000211926 [1,1,0,0,0,0|1,0,0]=3 4279 B14R1.60 O=C(CCO)C(=O)Nc1ccccc1 1458a_100000738435_100000211926 [1,1,0,0,0,0|1,0,0]=3 4280 B14R1.60 O=C(CCO)[C@H](O)Cc1ccccc1 1458a_100009816399_100000211926 [1,1,0,0,0,0|0,0,2]=4 4281 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000184674 [1,1,0,0,0,0|1,0,1]=4 4282 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000184674 [1,1,0,0,0,0|1,0,1]=4 4283 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000184674 [1,1,0,0,0,0|1,0,1]=4 4284 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000184674 [1,1,0,0,0,0|1,0,1]=4 4285 B14R1.502 C#CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000184674 [1,1,0,0,0,0|1,0,1]=4 4286 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210623 [1,1,0,0,0,0|1,0,1]=4 4287 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210623 [1,1,0,0,0,0|1,0,1]=4 4288 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210623 [1,1,0,0,0,0|1,0,1]=4 4289 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210623 [1,1,0,0,0,0|1,0,1]=4 4290 B14R1.502 C=CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210623 [1,1,0,0,0,0|1,0,1]=4 4291 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210303 [1,1,0,0,0,0|1,0,0]=3 4292 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011215381 [1,1,0,0,0,0|1,0,0]=3 4293 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210303 [1,1,0,0,0,0|1,0,0]=3 4294 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210303 [1,1,0,0,0,0|1,0,0]=3 4295 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210303 [1,1,0,0,0,0|1,0,0]=3 4296 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011215381 [1,1,0,0,0,0|1,0,0]=3 4297 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210303 [1,1,0,0,0,0|1,0,0]=3 4298 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011215381 [1,1,0,0,0,0|1,0,0]=3 4299 B14R1.502 CCCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100011215381 [1,1,0,0,0,0|2,0,0]=4 4300 B14R1.502 CCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210303 [1,1,0,0,0,0|2,0,0]=4 4301 B14R1.502 CCCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100011215381 [1,1,0,0,0,0|2,0,0]=4 4302 B14R1.502 CCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000210303 [1,1,0,0,0,0|2,0,0]=4 4303 B14R1.502 CCNC(=O)C#Cc1ccc(cc1)Cl 240690a_100015525214_100011892723 [1,1,0,0,0,0|0,0,2]=4 4304 B14R1.502 CCNC(=O)C#Cc1ccc(cc1)F 240690a_100015525214_100000238512 [1,1,0,0,0,0|0,0,2]=4 4305 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Br 11a_100015525214_100016267368 [1,1,0,0,0,0|0,0,0]=2 4306 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C 11a_100015525214_100000716854 [1,1,0,0,0,0|0,0,0]=2 4307 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C 240690a_100015525214_100000716854 [1,1,0,0,0,0|0,0,0]=2 4308 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100015525214_100000184863 [1,1,0,0,0,0|0,0,0]=2 4309 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100015525214_100000184863 [1,1,0,0,0,0|0,0,0]=2 4310 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F 11a_100015525214_100000182136 [1,1,0,0,0,0|0,0,0]=2 4311 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F 240690a_100015525214_100000182136 [1,1,0,0,0,0|0,0,0]=2 4312 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)I 11a_100015525214_100102526154 [1,1,0,0,0,0|0,0,0]=2 4313 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)I 240690a_100015525214_100102526154 [1,1,0,0,0,0|0,0,0]=2 4314 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)O 240690a_100015525214_100016269017 [1,1,0,0,0,0|0,0,0]=2 4315 B14R1.502 CCNC(=O)C=Cc1ccc(cn1)F 11a_100015525214_100020630499 [1,1,0,0,0,0|1,0,0]=3 4316 B14R1.502 CCNC(=O)C=Cc1ccc(cn1)F 240690a_100015525214_100020630499 [1,1,0,0,0,0|1,0,0]=3 4317 B14R1.502 CCNC(=O)C=Cc1ccc(nc1)Br 11a_100015525214_100020588214 [1,1,0,0,0,0|1,0,0]=3 4318 B14R1.502 CCNC(=O)C=Cc1ccc(nc1)Br 240690a_100015525214_100020588214 [1,1,0,0,0,0|1,0,0]=3 4319 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br 11a_100015525214_100000217147 [1,1,0,0,0,0|0,0,2]=4 4320 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br 240690a_100015525214_100000217147 [1,1,0,0,0,0|0,0,2]=4 4321 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br 527a_100015525214_100000217147 [1,1,0,0,0,0|0,0,2]=4 4322 B14R1.502 CCNC(=O)CCc1ccc(cc1)C 11a_100015525214_100000234883 [1,1,0,0,0,0|0,0,2]=4 4323 B14R1.502 CCNC(=O)CCc1ccc(cc1)C 240690a_100015525214_100000234883 [1,1,0,0,0,0|0,0,2]=4 4324 B14R1.502 CCNC(=O)CCc1ccc(cc1)C 527a_100015525214_100000234883 [1,1,0,0,0,0|0,0,2]=4 4325 B14R1.502 CCNC(=O)CCc1ccc(cc1)Cl 11a_100015525214_100000235379 [1,1,0,0,0,0|0,0,2]=4 4326 B14R1.502 CCNC(=O)CCc1ccc(cc1)Cl 240690a_100015525214_100000235379 [1,1,0,0,0,0|0,0,2]=4 4327 B14R1.502 CCNC(=O)CCc1ccc(cc1)Cl 527a_100015525214_100000235379 [1,1,0,0,0,0|0,0,2]=4 4328 B14R1.502 CCNC(=O)CCc1ccc(cc1)F 11a_100015525214_100000198493 [1,1,0,0,0,0|0,0,2]=4 4329 B14R1.502 CCNC(=O)CCc1ccc(cc1)F 240690a_100015525214_100000198493 [1,1,0,0,0,0|0,0,2]=4 4330 B14R1.502 CCNC(=O)CCc1ccc(cc1)F 527a_100015525214_100000198493 [1,1,0,0,0,0|0,0,2]=4 4331 B14R1.502 CCNC(=O)CCc1ccc(cc1)I 11a_100015525214_100011217499 [1,1,0,0,0,0|0,0,2]=4 4332 B14R1.502 CCNC(=O)CCc1ccc(cc1)I 240690a_100015525214_100011217499 [1,1,0,0,0,0|0,0,2]=4 4333 B14R1.502 CCNC(=O)CCc1ccc(cc1)I 527a_100015525214_100011217499 [1,1,0,0,0,0|0,0,2]=4 4334 B14R1.502 CCNC(=O)CCc1ccc(cc1)O 240690a_100015525214_100000742835 [1,1,0,0,0,0|0,0,2]=4 4335 B14R1.502 CCNC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000183381 [1,1,0,0,0,0|1,0,1]=4 4336 B14R1.502 CCNC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000183381 [1,1,0,0,0,0|1,0,1]=4 4337 B14R1.502 CCNC(=O)CNc1ccc(cc1)C 34a_100000124888_100000183381 [1,1,0,0,0,0|1,0,1]=4 4338 B14R1.502 CCNC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000183381 [1,1,0,0,0,0|1,0,1]=4 4339 B14R1.502 CCNC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000183381 [1,1,0,0,0,0|1,0,1]=4 4340 B14R1.502 CCNC(=O)CNc1ccc(cc1)F 34a_100000185862_100000183381 [1,1,0,0,0,0|1,0,1]=4 4341 B14R1.502 CCNC(=O)CNc1ccc(cc1)I 34a_100000185761_100000183381 [1,1,0,0,0,0|1,0,1]=4 4342 B14R1.502 CCNC(=O)CNc1ccc(cc1)O 34a_100000185829_100000183381 [1,1,0,0,0,0|1,0,1]=4 4343 B14R1.502 CCNC(=O)COc1ccc(cc1)Br 11a_100015525214_100000182358 [1,1,0,0,0,0|1,0,1]=4 4344 B14R1.502 CCNC(=O)COc1ccc(cc1)Br 240690a_100015525214_100000182358 [1,1,0,0,0,0|1,0,1]=4 4345 B14R1.502 CCNC(=O)COc1ccc(cc1)Br 34a_100000185759_100000183381 [1,1,0,0,0,0|1,0,1]=4 4346 B14R1.502 CCNC(=O)COc1ccc(cc1)Br 527a_100015525214_100000182358 [1,1,0,0,0,0|1,0,1]=4 4347 B14R1.502 CCNC(=O)COc1ccc(cc1)Br 7a_100000185759_100000183381 [1,1,0,0,0,0|1,0,1]=4 4348 B14R1.502 CCNC(=O)COc1ccc(cc1)C 11a_100015525214_100000182360 [1,1,0,0,0,0|1,0,1]=4 4349 B14R1.502 CCNC(=O)COc1ccc(cc1)C 240690a_100015525214_100000182360 [1,1,0,0,0,0|1,0,1]=4 4350 B14R1.502 CCNC(=O)COc1ccc(cc1)C 34a_100000210336_100000183381 [1,1,0,0,0,0|1,0,1]=4 4351 B14R1.502 CCNC(=O)COc1ccc(cc1)C 527a_100015525214_100000182360 [1,1,0,0,0,0|1,0,1]=4 4352 B14R1.502 CCNC(=O)COc1ccc(cc1)C 7a_100000210336_100000183381 [1,1,0,0,0,0|1,0,1]=4 4353 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 11a_100015525214_100016990877 [1,1,0,0,0,0|1,0,1]=4 4354 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 240690a_100015525214_100016990877 [1,1,0,0,0,0|1,0,1]=4 4355 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183381 [1,1,0,0,0,0|1,0,1]=4 4356 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 527a_100015525214_100016990877 [1,1,0,0,0,0|1,0,1]=4 4357 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183381 [1,1,0,0,0,0|1,0,1]=4 4358 B14R1.502 CCNC(=O)COc1ccc(cc1)F 11a_100015525214_100000184765 [1,1,0,0,0,0|1,0,1]=4 4359 B14R1.502 CCNC(=O)COc1ccc(cc1)F 240690a_100015525214_100000184765 [1,1,0,0,0,0|1,0,1]=4 4360 B14R1.502 CCNC(=O)COc1ccc(cc1)F 34a_100000210339_100000183381 [1,1,0,0,0,0|1,0,1]=4 4361 B14R1.502 CCNC(=O)COc1ccc(cc1)F 527a_100015525214_100000184765 [1,1,0,0,0,0|1,0,1]=4 4362 B14R1.502 CCNC(=O)COc1ccc(cc1)I 11a_100015525214_100000184369 [1,1,0,0,0,0|1,0,1]=4 4363 B14R1.502 CCNC(=O)COc1ccc(cc1)I 240690a_100015525214_100000184369 [1,1,0,0,0,0|1,0,1]=4 4364 B14R1.502 CCNC(=O)COc1ccc(cc1)I 34a_100000212066_100000183381 [1,1,0,0,0,0|1,0,1]=4 4365 B14R1.502 CCNC(=O)COc1ccc(cc1)I 527a_100015525214_100000184369 [1,1,0,0,0,0|1,0,1]=4 4366 B14R1.502 CCNC(=O)COc1ccc(cc1)I 7a_100000212066_100000183381 [1,1,0,0,0,0|1,0,1]=4 4367 B14R1.502 CCNC(=O)COc1ccc(cc1)N 34a_100000185829_100000183381 [1,1,0,0,0,0|1,0,1]=4 4368 B14R1.502 CCNC(=O)COc1ccc(cc1)O 240690a_100015525214_100000031633 [1,1,0,0,0,0|1,0,1]=4 4369 B14R1.502 CCNC(=O)COc1ccc(cc1)O 527a_100015525214_100000031633 [1,1,0,0,0,0|1,0,1]=4 4370 B14R1.502 CCNC(=O)CSc1ccc(cc1)Br 11a_100015525214_100000179496 [1,1,0,0,0,0|1,0,1]=4 4371 B14R1.502 CCNC(=O)CSc1ccc(cc1)Br 240690a_100015525214_100000179496 [1,1,0,0,0,0|1,0,1]=4 4372 B14R1.502 CCNC(=O)CSc1ccc(cc1)Br 527a_100015525214_100000179496 [1,1,0,0,0,0|1,0,1]=4 4373 B14R1.502 CCNC(=O)CSc1ccc(cc1)Br 62a_100000183381_100000752885 [1,1,0,0,0,0|1,0,1]=4 4374 B14R1.502 CCNC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000183381 [1,1,0,0,0,0|1,0,1]=4 4375 B14R1.502 CCNC(=O)CSc1ccc(cc1)C 11a_100015525214_100000179497 [1,1,0,0,0,0|1,0,1]=4 4376 B14R1.502 CCNC(=O)CSc1ccc(cc1)C 240690a_100015525214_100000179497 [1,1,0,0,0,0|1,0,1]=4 4377 B14R1.502 CCNC(=O)CSc1ccc(cc1)C 527a_100015525214_100000179497 [1,1,0,0,0,0|1,0,1]=4 4378 B14R1.502 CCNC(=O)CSc1ccc(cc1)C 62a_100000183381_100000186775 [1,1,0,0,0,0|1,0,1]=4 4379 B14R1.502 CCNC(=O)CSc1ccc(cc1)C 62a_100000186775_100000183381 [1,1,0,0,0,0|1,0,1]=4 4380 B14R1.502 CCNC(=O)CSc1ccc(cc1)Cl 11a_100015525214_100000178402 [1,1,0,0,0,0|1,0,1]=4 4381 B14R1.502 CCNC(=O)CSc1ccc(cc1)Cl 240690a_100015525214_100000178402 [1,1,0,0,0,0|1,0,1]=4 4382 B14R1.502 CCNC(=O)CSc1ccc(cc1)Cl 527a_100015525214_100000178402 [1,1,0,0,0,0|1,0,1]=4 4383 B14R1.502 CCNC(=O)CSc1ccc(cc1)Cl 62a_100000183381_100000755918 [1,1,0,0,0,0|1,0,1]=4 4384 B14R1.502 CCNC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000183381 [1,1,0,0,0,0|1,0,1]=4 4385 B14R1.502 CCNC(=O)CSc1ccc(cc1)F 11a_100015525214_100000691584 [1,1,0,0,0,0|1,0,1]=4 4386 B14R1.502 CCNC(=O)CSc1ccc(cc1)F 240690a_100015525214_100000691584 [1,1,0,0,0,0|1,0,1]=4 4387 B14R1.502 CCNC(=O)CSc1ccc(cc1)F 527a_100015525214_100000691584 [1,1,0,0,0,0|1,0,1]=4 4388 B14R1.502 CCNC(=O)CSc1ccc(cc1)F 62a_100000183381_100000211213 [1,1,0,0,0,0|1,0,1]=4 4389 B14R1.502 CCNC(=O)CSc1ccc(cc1)F 62a_100000211213_100000183381 [1,1,0,0,0,0|1,0,1]=4 4390 B14R1.502 CCNC(=O)CSc1ccc(cc1)N 62a_100000183381_100000185761 [1,1,0,0,0,0|1,0,1]=4 4391 B14R1.502 CCNC(=O)CSc1ccc(cc1)N 62a_100000185761_100000183381 [1,1,0,0,0,0|1,0,1]=4 4392 B14R1.502 CCNC(=O)CSc1ccc(cc1)O 62a_100000183381_100000185759 [1,1,0,0,0,0|1,0,1]=4 4393 B14R1.502 CCNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_100015525214 [1,1,0,0,0,0|1,0,1]=4 4394 B14R1.502 CCNC(=O)NCc1ccc(cc1)Br 2708a_100015525214_100000174875 [1,1,0,0,0,0|1,0,1]=4 4395 B14R1.502 CCNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100015525214 [1,1,0,0,0,0|1,0,1]=4 4396 B14R1.502 CCNC(=O)NCc1ccc(cc1)Br 273464a_100015525214_100000174875 [1,1,0,0,0,0|1,0,1]=4 4397 B14R1.502 CCNC(=O)NCc1ccc(cc1)Br 512a_100000174875_100015525214 [1,1,0,0,0,0|1,0,1]=4 4398 B14R1.502 CCNC(=O)NCc1ccc(cc1)Br 512a_100015525214_100000174875 [1,1,0,0,0,0|1,0,1]=4 4399 B14R1.502 CCNC(=O)NCc1ccc(cc1)C 2708a_100000174908_100015525214 [1,1,0,0,0,0|1,0,1]=4 4400 B14R1.502 CCNC(=O)NCc1ccc(cc1)C 2708a_100015525214_100000174908 [1,1,0,0,0,0|1,0,1]=4 4401 B14R1.502 CCNC(=O)NCc1ccc(cc1)C 273464a_100000174908_100015525214 [1,1,0,0,0,0|1,0,1]=4 4402 B14R1.502 CCNC(=O)NCc1ccc(cc1)C 273464a_100015525214_100000174908 [1,1,0,0,0,0|1,0,1]=4 4403 B14R1.502 CCNC(=O)NCc1ccc(cc1)C 512a_100000174908_100015525214 [1,1,0,0,0,0|1,0,1]=4 4404 B14R1.502 CCNC(=O)NCc1ccc(cc1)C 512a_100015525214_100000174908 [1,1,0,0,0,0|1,0,1]=4 4405 B14R1.502 CCNC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_100015525214 [1,1,0,0,0,0|1,0,1]=4 4406 B14R1.502 CCNC(=O)NCc1ccc(cc1)Cl 2708a_100015525214_100000174871 [1,1,0,0,0,0|1,0,1]=4 4407 B14R1.502 CCNC(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100015525214 [1,1,0,0,0,0|1,0,1]=4 4408 B14R1.502 CCNC(=O)NCc1ccc(cc1)Cl 273464a_100015525214_100000174871 [1,1,0,0,0,0|1,0,1]=4 4409 B14R1.502 CCNC(=O)NCc1ccc(cc1)Cl 512a_100015525214_100000174871 [1,1,0,0,0,0|1,0,1]=4 4410 B14R1.502 CCNC(=O)NCc1ccc(cc1)F 2708a_100000174882_100015525214 [1,1,0,0,0,0|1,0,1]=4 4411 B14R1.502 CCNC(=O)NCc1ccc(cc1)F 2708a_100015525214_100000174882 [1,1,0,0,0,0|1,0,1]=4 4412 B14R1.502 CCNC(=O)NCc1ccc(cc1)F 273464a_100000174882_100015525214 [1,1,0,0,0,0|1,0,1]=4 4413 B14R1.502 CCNC(=O)NCc1ccc(cc1)F 273464a_100015525214_100000174882 [1,1,0,0,0,0|1,0,1]=4 4414 B14R1.502 CCNC(=O)NCc1ccc(cc1)F 512a_100000174882_100015525214 [1,1,0,0,0,0|1,0,1]=4 4415 B14R1.502 CCNC(=O)NCc1ccc(cc1)F 512a_100015525214_100000174882 [1,1,0,0,0,0|1,0,1]=4 4416 B14R1.502 CCNC(=O)NCc1ccc(cc1)I 2708a_100015525214_100016989417 [1,1,0,0,0,0|1,0,1]=4 4417 B14R1.502 CCNC(=O)NCc1ccc(cc1)I 2708a_100016989417_100015525214 [1,1,0,0,0,0|1,0,1]=4 4418 B14R1.502 CCNC(=O)NCc1ccc(cc1)I 273464a_100015525214_100016989417 [1,1,0,0,0,0|1,0,1]=4 4419 B14R1.502 CCNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100015525214 [1,1,0,0,0,0|1,0,1]=4 4420 B14R1.502 CCNC(=O)NCc1ccc(cc1)I 512a_100015525214_100016989417 [1,1,0,0,0,0|1,0,1]=4 4421 B14R1.502 CCNC(=O)NCc1ccc(cc1)I 512a_100016989417_100015525214 [1,1,0,0,0,0|1,0,1]=4 4422 B14R1.502 CCNC(=O)NCc1ccc(cc1)O 2708a_100000185549_100015525214 [1,1,0,0,0,0|1,0,1]=4 4423 B14R1.502 CCNC(=O)NCc1ccc(cc1)O 2708a_100015525214_100000185549 [1,1,0,0,0,0|1,0,1]=4 4424 B14R1.502 CCNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100015525214 [1,1,0,0,0,0|1,0,1]=4 4425 B14R1.502 CCNC(=O)NCc1ccc(cc1)O 273464a_100015525214_100000185549 [1,1,0,0,0,0|1,0,1]=4 4426 B14R1.502 CCNC(=O)NCc1ccc(cc1)O 512a_100015525214_100000185549 [1,1,0,0,0,0|1,0,1]=4 4427 B14R1.502 CCNC(=O)NNc1ccc(cc1)Br 273464a_100015525214_100000735608 [1,1,0,0,0,0|2,0,0]=4 4428 B14R1.502 CCNC(=O)NNc1ccc(cc1)Br 512a_100015525214_100000735608 [1,1,0,0,0,0|2,0,0]=4 4429 B14R1.502 CCNC(=O)NNc1ccc(cc1)C 273464a_100015525214_100000683527 [1,1,0,0,0,0|2,0,0]=4 4430 B14R1.502 CCNC(=O)NNc1ccc(cc1)C 512a_100015525214_100000683527 [1,1,0,0,0,0|2,0,0]=4 4431 B14R1.502 CCNC(=O)NNc1ccc(cc1)Cl 273464a_100015525214_100000683521 [1,1,0,0,0,0|2,0,0]=4 4432 B14R1.502 CCNC(=O)NNc1ccc(cc1)Cl 512a_100015525214_100000683521 [1,1,0,0,0,0|2,0,0]=4 4433 B14R1.502 CCNC(=O)NNc1ccc(cc1)F 273464a_100015525214_100000728448 [1,1,0,0,0,0|2,0,0]=4 4434 B14R1.502 CCNC(=O)NNc1ccc(cc1)F 512a_100015525214_100000728448 [1,1,0,0,0,0|2,0,0]=4 4435 B14R1.502 CCNC(=O)NNc1ccc(cc1)I 273464a_100015525214_100016988836 [1,1,0,0,0,0|2,0,0]=4 4436 B14R1.502 CCNC(=O)NNc1ccc(cc1)I 512a_100015525214_100016988836 [1,1,0,0,0,0|2,0,0]=4 4437 B14R1.502 CCOC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100016304033 [1,1,0,0,0,0|1,0,0]=3 4438 B14R1.502 CCOC(=O)C=Cc1cc[n+](cc1)[O-] 271570a_100010199719_100000039755 [1,1,0,0,0,0|2,0,0]=4 4439 B14R1.502 CCOC(=O)C=Cc1ccc(=O)[nH]c1 271570a_100010199719_100000212171 [1,1,0,0,0,0|2,0,0]=4 4440 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Br 271570a_100010199719_100000752885 [1,1,0,0,0,0|1,0,0]=3 4441 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)C 271570a_100010199719_100000186775 [1,1,0,0,0,0|1,0,0]=3 4442 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Cl 271570a_100010199719_100000755918 [1,1,0,0,0,0|1,0,0]=3 4443 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)F 271570a_100010199719_100000211213 [1,1,0,0,0,0|1,0,0]=3 4444 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)N 271570a_100010199719_100000185761 [1,1,0,0,0,0|1,0,0]=3 4445 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)O 271570a_100010199719_100000185759 [1,1,0,0,0,0|1,0,0]=3 4446 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)Br 271570a_100010199719_100000686858 [1,1,0,0,0,0|2,0,0]=4 4447 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)C 271570a_100010199719_100000754016 [1,1,0,0,0,0|2,0,0]=4 4448 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)Cl 271570a_100010199719_100011356976 [1,1,0,0,0,0|2,0,0]=4 4449 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)F 271570a_100010199719_100000744514 [1,1,0,0,0,0|2,0,0]=4 4450 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)N 271570a_100010199719_100000744251 [1,1,0,0,0,0|2,0,0]=4 4451 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)O 271570a_100010199719_100000685995 [1,1,0,0,0,0|2,0,0]=4 4452 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Br 271570a_100010199719_100009814638 [1,1,0,0,0,0|2,0,0]=4 4453 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)C 271570a_100010199719_100000751577 [1,1,0,0,0,0|2,0,0]=4 4454 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Cl 271570a_100010199719_100000034144 [1,1,0,0,0,0|2,0,0]=4 4455 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)F 271570a_100010199719_100000748661 [1,1,0,0,0,0|2,0,0]=4 4456 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)N 271570a_100010199719_100000187370 [1,1,0,0,0,0|2,0,0]=4 4457 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)Br 22a_100016993582_100016267368 [1,1,0,0,0,0|1,0,0]=3 4458 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)C 22a_100016993582_100000716854 [1,1,0,0,0,0|1,0,0]=3 4459 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)Cl 22a_100016993582_100000184863 [1,1,0,0,0,0|1,0,0]=3 4460 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)F 22a_100016993582_100000182136 [1,1,0,0,0,0|1,0,0]=3 4461 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)I 22a_100016993582_100102526154 [1,1,0,0,0,0|1,0,0]=3 4462 B14R1.502 CNNC(=O)C=Cc1ccc(cc1)O 22a_100016993582_100016269017 [1,1,0,0,0,0|1,0,0]=3 4463 B14R1.502 CNNC(=O)C=Cc1ccc(cn1)F 22a_100016993582_100020630499 [1,1,0,0,0,0|2,0,0]=4 4464 B14R1.502 CNNC(=O)C=Cc1ccc(nc1)Br 22a_100016993582_100020588214 [1,1,0,0,0,0|2,0,0]=4 4465 B14R1.502 COCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000211753 [1,1,0,0,0,0|2,0,0]=4 4466 B14R1.502 COCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000211753 [1,1,0,0,0,0|2,0,0]=4 4467 B14R1.502 COCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000211753 [1,1,0,0,0,0|2,0,0]=4 4468 B14R1.502 CSCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011216314 [1,1,0,0,0,0|2,0,0]=4 4469 B14R1.502 CSCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011216314 [1,1,0,0,0,0|2,0,0]=4 4470 B14R1.502 CSCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011216314 [1,1,0,0,0,0|2,0,0]=4 4471 B14R1.502 Cc1ccc(cc1)C=CC(=O)CC#N 1458a_100000716854_100011214920 [1,1,0,0,0,0|1,0,1]=4 4472 B14R1.502 Cc1ccc(cc1)C=CC(=O)CCF 1458a_100000716854_100011217306 [1,1,0,0,0,0|1,0,0]=3 4473 B14R1.502 Cc1ccc(cc1)C=CC(=O)CCO 1458a_100000716854_100000211926 [1,1,0,0,0,0|0,0,0]=2 4474 B14R1.502 Cc1ccc(cc1)CCC(=O)CCO 1458a_100000234883_100000211926 [1,1,0,0,0,0|0,0,2]=4 4475 B14R1.502 Cc1ccc(cc1)CCC(=O)CCO 1458a_100011216618_100011713686 [1,1,0,0,0,0|0,0,2]=4 4476 B14R1.502 Cc1ccc(cc1)CNC(=O)CCO 240690a_100000174908_100011216618 [1,1,0,0,0,0|1,0,1]=4 4477 B14R1.502 Cc1ccc(cc1)NCC(=O)NCO 34a_100000124888_100000185155 [1,1,0,0,0,0|1,0,1]=4 4478 B14R1.502 Cc1ccc(cc1)NNC(=O)CCO 22a_100000683527_100011216618 [1,1,0,0,0,0|2,0,0]=4 4479 B14R1.502 Cc1ccc(cc1)OCC(=O)CCO 1458a_100000182360_100000211926 [1,1,0,0,0,0|1,0,1]=4 4480 B14R1.502 Cc1ccc(cc1)OCC(=O)NCO 34a_100000210336_100000185155 [1,1,0,0,0,0|1,0,1]=4 4481 B14R1.502 Cc1ccc(cc1)OCC(=O)NCO 7a_100000210336_100000185155 [1,1,0,0,0,0|1,0,1]=4 4482 B14R1.502 Cc1ccc(cc1)SCC(=O)CCO 1458a_100000179497_100000211926 [1,1,0,0,0,0|1,0,1]=4 4483 B14R1.502 Cc1ccc(cc1)SCC(=O)NCO 62a_100000185155_100000186775 [1,1,0,0,0,0|1,0,1]=4 4484 B14R1.502 Cc1ccc(cc1)SCC(=O)NCO 62a_100000186775_100000185155 [1,1,0,0,0,0|1,0,1]=4 4485 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011214920 [1,1,0,0,0,0|1,0,1]=4 4486 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000184835 [1,1,0,0,0,0|1,0,1]=4 4487 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011214920 [1,1,0,0,0,0|1,0,1]=4 4488 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011214920 [1,1,0,0,0,0|1,0,1]=4 4489 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000184835 [1,1,0,0,0,0|1,0,1]=4 4490 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011214920 [1,1,0,0,0,0|1,0,1]=4 4491 B14R1.502 N#CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000184835 [1,1,0,0,0,0|1,0,1]=4 4492 B14R1.502 Nc1ccc(cc1)OCC(=O)NCO 34a_100000185829_100000185155 [1,1,0,0,0,0|1,0,1]=4 4493 B14R1.502 Nc1ccc(cc1)SCC(=O)NCO 62a_100000185155_100000185761 [1,1,0,0,0,0|1,0,1]=4 4494 B14R1.502 Nc1ccc(cc1)SCC(=O)NCO 62a_100000185761_100000185155 [1,1,0,0,0,0|1,0,1]=4 4495 B14R1.502 O=C(C#Cc1ccc(cc1)Br)CCO 1458a_100012100275_100000211926 [1,1,0,0,0,0|0,0,2]=4 4496 B14R1.502 O=C(C#Cc1ccc(cc1)Cl)CCO 1458a_100011892723_100000211926 [1,1,0,0,0,0|0,0,2]=4 4497 B14R1.502 O=C(C#Cc1ccc(cc1)F)CCO 1458a_100000238512_100000211926 [1,1,0,0,0,0|0,0,2]=4 4498 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCBr 6a_100000186029_100011261029 [1,1,0,0,0,0|1,0,0]=3 4499 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCCl 6a_100000186029_100000053229 [1,1,0,0,0,0|1,0,0]=3 4500 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCF 1458a_100016267368_100011217306 [1,1,0,0,0,0|1,0,0]=3 4501 B14R1.502 O=C(C=Cc1ccc(cc1)Br)CCO 1458a_100016267368_100000211926 [1,1,0,0,0,0|0,0,0]=2 4502 B14R1.502 O=C(C=Cc1ccc(cc1)Cl)CCF 1458a_100000184863_100011217306 [1,1,0,0,0,0|1,0,0]=3 4503 B14R1.502 O=C(C=Cc1ccc(cc1)Cl)CCO 1458a_100000184863_100000211926 [1,1,0,0,0,0|0,0,0]=2 4504 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCBr 6a_100000210084_100011261029 [1,1,0,0,0,0|1,0,0]=3 4505 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCCl 6a_100000210084_100000053229 [1,1,0,0,0,0|1,0,0]=3 4506 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCF 1458a_100000182136_100011217306 [1,1,0,0,0,0|1,0,0]=3 4507 B14R1.502 O=C(C=Cc1ccc(cc1)F)CCO 1458a_100000182136_100000211926 [1,1,0,0,0,0|0,0,0]=2 4508 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCBr 6a_100000188517_100011261029 [1,1,0,0,0,0|1,0,0]=3 4509 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCCl 6a_100000188517_100000053229 [1,1,0,0,0,0|1,0,0]=3 4510 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCF 1458a_100102526154_100011217306 [1,1,0,0,0,0|1,0,0]=3 4511 B14R1.502 O=C(C=Cc1ccc(cc1)I)CCO 1458a_100102526154_100000211926 [1,1,0,0,0,0|0,0,0]=2 4512 B14R1.502 O=C(C=Cc1ccc(cn1)Br)CCBr 6a_100000754260_100011261029 [1,1,0,0,0,0|2,0,0]=4 4513 B14R1.502 O=C(C=Cc1ccc(cn1)Br)CCCl 6a_100000754260_100000053229 [1,1,0,0,0,0|2,0,0]=4 4514 B14R1.502 O=C(C=Cc1ccc(cn1)F)CCBr 6a_100011934744_100011261029 [1,1,0,0,0,0|2,0,0]=4 4515 B14R1.502 O=C(C=Cc1ccc(cn1)F)CCCl 6a_100011934744_100000053229 [1,1,0,0,0,0|2,0,0]=4 4516 B14R1.502 O=C(C=Cc1ccc(cn1)F)CCF 1458a_100020630499_100011217306 [1,1,0,0,0,0|2,0,0]=4 4517 B14R1.502 O=C(C=Cc1ccc(cn1)F)CCO 1458a_100020630499_100000211926 [1,1,0,0,0,0|1,0,0]=3 4518 B14R1.502 O=C(C=Cc1ccc(nc1)Br)CCF 1458a_100020588214_100011217306 [1,1,0,0,0,0|2,0,0]=4 4519 B14R1.502 O=C(C=Cc1ccc(nc1)Br)CCO 1458a_100020588214_100000211926 [1,1,0,0,0,0|1,0,0]=3 4520 B14R1.502 O=C(CCO)CCc1ccc(cc1)Br 1458a_100000217147_100000211926 [1,1,0,0,0,0|0,0,2]=4 4521 B14R1.502 O=C(CCO)CCc1ccc(cc1)Br 1458a_100011216618_100011740612 [1,1,0,0,0,0|0,0,2]=4 4522 B14R1.502 O=C(CCO)CCc1ccc(cc1)Cl 1458a_100000235379_100000211926 [1,1,0,0,0,0|0,0,2]=4 4523 B14R1.502 O=C(CCO)CCc1ccc(cc1)Cl 1458a_100011216618_100011713675 [1,1,0,0,0,0|0,0,2]=4 4524 B14R1.502 O=C(CCO)CCc1ccc(cc1)F 1458a_100000198493_100000211926 [1,1,0,0,0,0|0,0,2]=4 4525 B14R1.502 O=C(CCO)CCc1ccc(cc1)F 1458a_100011216618_100011217392 [1,1,0,0,0,0|0,0,2]=4 4526 B14R1.502 O=C(CCO)CCc1ccc(cc1)I 1458a_100011217499_100000211926 [1,1,0,0,0,0|0,0,2]=4 4527 B14R1.502 O=C(CCO)CCc1ccc(cc1)O 1458a_100000742835_100000211926 [1,1,0,0,0,0|0,0,2]=4 4528 B14R1.502 O=C(CCO)CCc1ccc(cc1)O 1458a_100011216618_100009816426 [1,1,0,0,0,0|0,0,2]=4 4529 B14R1.502 O=C(CCO)COc1ccc(cc1)Br 1458a_100000182358_100000211926 [1,1,0,0,0,0|1,0,1]=4 4530 B14R1.502 O=C(CCO)COc1ccc(cc1)Cl 1458a_100016990877_100000211926 [1,1,0,0,0,0|1,0,1]=4 4531 B14R1.502 O=C(CCO)COc1ccc(cc1)F 1458a_100000184765_100000211926 [1,1,0,0,0,0|1,0,1]=4 4532 B14R1.502 O=C(CCO)COc1ccc(cc1)I 1458a_100000184369_100000211926 [1,1,0,0,0,0|1,0,1]=4 4533 B14R1.502 O=C(CCO)COc1ccc(cc1)O 1458a_100000031633_100000211926 [1,1,0,0,0,0|1,0,1]=4 4534 B14R1.502 O=C(CCO)CSc1ccc(cc1)Br 1458a_100000179496_100000211926 [1,1,0,0,0,0|1,0,1]=4 4535 B14R1.502 O=C(CCO)CSc1ccc(cc1)Cl 1458a_100000178402_100000211926 [1,1,0,0,0,0|1,0,1]=4 4536 B14R1.502 O=C(CCO)CSc1ccc(cc1)F 1458a_100000691584_100000211926 [1,1,0,0,0,0|1,0,1]=4 4537 B14R1.502 O=C(CCO)NCc1ccc(cc1)Br 240690a_100000174875_100011216618 [1,1,0,0,0,0|1,0,1]=4 4538 B14R1.502 O=C(CCO)NCc1ccc(cc1)Cl 240690a_100000174871_100011216618 [1,1,0,0,0,0|1,0,1]=4 4539 B14R1.502 O=C(CCO)NCc1ccc(cc1)F 240690a_100000174882_100011216618 [1,1,0,0,0,0|1,0,1]=4 4540 B14R1.502 O=C(CCO)NCc1ccc(cc1)I 240690a_100016989417_100011216618 [1,1,0,0,0,0|1,0,1]=4 4541 B14R1.502 O=C(CCO)NCc1ccc(cc1)O 240690a_100000185549_100011216618 [1,1,0,0,0,0|1,0,1]=4 4542 B14R1.502 O=C(CCO)NNc1ccc(cc1)Br 22a_100000735608_100011216618 [1,1,0,0,0,0|2,0,0]=4 4543 B14R1.502 O=C(CCO)NNc1ccc(cc1)Cl 22a_100000683521_100011216618 [1,1,0,0,0,0|2,0,0]=4 4544 B14R1.502 O=C(CCO)NNc1ccc(cc1)F 22a_100000728448_100011216618 [1,1,0,0,0,0|2,0,0]=4 4545 B14R1.502 O=C(CCO)NNc1ccc(cc1)I 22a_100016988836_100011216618 [1,1,0,0,0,0|2,0,0]=4 4546 B14R1.502 O=C(CNc1ccc(cc1)Br)NCO 2230a_100000210018_100000185155 [1,1,0,0,0,0|1,0,1]=4 4547 B14R1.502 O=C(CNc1ccc(cc1)Br)NCO 34a_100000210018_100000185155 [1,1,0,0,0,0|1,0,1]=4 4548 B14R1.502 O=C(CNc1ccc(cc1)Cl)NCO 2230a_100000210052_100000185155 [1,1,0,0,0,0|1,0,1]=4 4549 B14R1.502 O=C(CNc1ccc(cc1)Cl)NCO 34a_100000210052_100000185155 [1,1,0,0,0,0|1,0,1]=4 4550 B14R1.502 O=C(CNc1ccc(cc1)F)NCO 34a_100000185862_100000185155 [1,1,0,0,0,0|1,0,1]=4 4551 B14R1.502 O=C(CNc1ccc(cc1)I)NCO 34a_100000185761_100000185155 [1,1,0,0,0,0|1,0,1]=4 4552 B14R1.502 O=C(CNc1ccc(cc1)O)NCO 34a_100000185829_100000185155 [1,1,0,0,0,0|1,0,1]=4 4553 B14R1.502 O=C(COc1ccc(cc1)Br)NCO 34a_100000185759_100000185155 [1,1,0,0,0,0|1,0,1]=4 4554 B14R1.502 O=C(COc1ccc(cc1)Br)NCO 7a_100000185759_100000185155 [1,1,0,0,0,0|1,0,1]=4 4555 B14R1.502 O=C(COc1ccc(cc1)Cl)NCO 34a_100000210216_100000185155 [1,1,0,0,0,0|1,0,1]=4 4556 B14R1.502 O=C(COc1ccc(cc1)Cl)NCO 7a_100000210216_100000185155 [1,1,0,0,0,0|1,0,1]=4 4557 B14R1.502 O=C(COc1ccc(cc1)F)NCO 34a_100000210339_100000185155 [1,1,0,0,0,0|1,0,1]=4 4558 B14R1.502 O=C(COc1ccc(cc1)I)NCO 34a_100000212066_100000185155 [1,1,0,0,0,0|1,0,1]=4 4559 B14R1.502 O=C(COc1ccc(cc1)I)NCO 7a_100000212066_100000185155 [1,1,0,0,0,0|1,0,1]=4 4560 B14R1.502 O=C(CSc1ccc(cc1)Br)NCO 62a_100000185155_100000752885 [1,1,0,0,0,0|1,0,1]=4 4561 B14R1.502 O=C(CSc1ccc(cc1)Br)NCO 62a_100000752885_100000185155 [1,1,0,0,0,0|1,0,1]=4 4562 B14R1.502 O=C(CSc1ccc(cc1)Cl)NCO 62a_100000185155_100000755918 [1,1,0,0,0,0|1,0,1]=4 4563 B14R1.502 O=C(CSc1ccc(cc1)Cl)NCO 62a_100000755918_100000185155 [1,1,0,0,0,0|1,0,1]=4 4564 B14R1.502 O=C(CSc1ccc(cc1)F)NCO 62a_100000185155_100000211213 [1,1,0,0,0,0|1,0,1]=4 4565 B14R1.502 O=C(CSc1ccc(cc1)F)NCO 62a_100000211213_100000185155 [1,1,0,0,0,0|1,0,1]=4 4566 B14R1.502 O=C(CSc1ccc(cc1)O)NCO 62a_100000185155_100000185759 [1,1,0,0,0,0|1,0,1]=4 4567 B14R1.598 C#CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000184674 [1,1,0,0,0,0|1,0,1]=4 4568 B14R1.598 C#CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000184674 [1,1,0,0,0,0|1,0,1]=4 4569 B14R1.598 C#CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000184674 [1,1,0,0,0,0|1,0,1]=4 4570 B14R1.598 C#CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000184674 [1,1,0,0,0,0|1,0,1]=4 4571 B14R1.598 C=CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210623 [1,1,0,0,0,0|1,0,1]=4 4572 B14R1.598 C=CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210623 [1,1,0,0,0,0|1,0,1]=4 4573 B14R1.598 C=CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210623 [1,1,0,0,0,0|1,0,1]=4 4574 B14R1.598 C=CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210623 [1,1,0,0,0,0|1,0,1]=4 4575 B14R1.598 CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210303 [1,1,0,0,0,0|1,0,0]=3 4576 B14R1.598 CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210303 [1,1,0,0,0,0|1,0,0]=3 4577 B14R1.598 CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210303 [1,1,0,0,0,0|1,0,0]=3 4578 B14R1.598 CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210303 [1,1,0,0,0,0|1,0,0]=3 4579 B14R1.598 CCNC(=O)C=Cc1ccccc1Br 11a_100015525214_100000719032 [1,1,0,0,0,0|0,0,0]=2 4580 B14R1.598 CCNC(=O)C=Cc1ccccc1Br 240690a_100015525214_100000719032 [1,1,0,0,0,0|0,0,0]=2 4581 B14R1.598 CCNC(=O)C=Cc1ccccc1Cl 11a_100015525214_100000720304 [1,1,0,0,0,0|0,0,0]=2 4582 B14R1.598 CCNC(=O)C=Cc1ccccc1Cl 240690a_100015525214_100000720304 [1,1,0,0,0,0|0,0,0]=2 4583 B14R1.598 CCNC(=O)C=Cc1ccccc1F 11a_100015525214_100016256065 [1,1,0,0,0,0|0,0,0]=2 4584 B14R1.598 CCNC(=O)C=Cc1ccccc1F 240690a_100015525214_100016256065 [1,1,0,0,0,0|0,0,0]=2 4585 B14R1.598 CCNC(=O)CCc1ccccc1Br 11a_100015525214_100000740810 [1,1,0,0,0,0|0,0,2]=4 4586 B14R1.598 CCNC(=O)CCc1ccccc1Br 240690a_100015525214_100000740810 [1,1,0,0,0,0|0,0,2]=4 4587 B14R1.598 CCNC(=O)CCc1ccccc1Br 527a_100015525214_100000740810 [1,1,0,0,0,0|0,0,2]=4 4588 B14R1.598 CCNC(=O)CCc1ccccc1C 11a_100015525214_100000748742 [1,1,0,0,0,0|0,0,2]=4 4589 B14R1.598 CCNC(=O)CCc1ccccc1C 240690a_100015525214_100000748742 [1,1,0,0,0,0|0,0,2]=4 4590 B14R1.598 CCNC(=O)CCc1ccccc1C 527a_100015525214_100000748742 [1,1,0,0,0,0|0,0,2]=4 4591 B14R1.598 CCNC(=O)CCc1ccccc1Cl 11a_100015525214_100000184300 [1,1,0,0,0,0|0,0,2]=4 4592 B14R1.598 CCNC(=O)CCc1ccccc1Cl 240690a_100015525214_100000184300 [1,1,0,0,0,0|0,0,2]=4 4593 B14R1.598 CCNC(=O)CCc1ccccc1Cl 527a_100015525214_100000184300 [1,1,0,0,0,0|0,0,2]=4 4594 B14R1.598 CCNC(=O)CCc1ccccc1F 11a_100015525214_100000189703 [1,1,0,0,0,0|0,0,2]=4 4595 B14R1.598 CCNC(=O)CCc1ccccc1F 240690a_100015525214_100000189703 [1,1,0,0,0,0|0,0,2]=4 4596 B14R1.598 CCNC(=O)CCc1ccccc1F 527a_100015525214_100000189703 [1,1,0,0,0,0|0,0,2]=4 4597 B14R1.598 CCNC(=O)CCc1ccccc1I 11a_100015525214_100000037306 [1,1,0,0,0,0|0,0,2]=4 4598 B14R1.598 CCNC(=O)CCc1ccccc1I 240690a_100015525214_100000037306 [1,1,0,0,0,0|0,0,2]=4 4599 B14R1.598 CCNC(=O)CCc1ccccc1I 527a_100015525214_100000037306 [1,1,0,0,0,0|0,0,2]=4 4600 B14R1.598 CCNC(=O)CCc1ccccc1O 11a_100015525214_100000181328 [1,1,0,0,0,0|0,0,2]=4 4601 B14R1.598 CCNC(=O)CCc1ccccc1O 240690a_100015525214_100000181328 [1,1,0,0,0,0|0,0,2]=4 4602 B14R1.598 CCNC(=O)CCc1ccccc1O 527a_100015525214_100000181328 [1,1,0,0,0,0|0,0,2]=4 4603 B14R1.598 CCNC(=O)CNc1ccccc1Br 34a_100000210017_100000183381 [1,1,0,0,0,0|1,0,1]=4 4604 B14R1.598 CCNC(=O)CNc1ccccc1C 34a_100015192222_100000183381 [1,1,0,0,0,0|1,0,1]=4 4605 B14R1.598 CCNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183381 [1,1,0,0,0,0|1,0,1]=4 4606 B14R1.598 CCNC(=O)CNc1ccccc1F 34a_100000210422_100000183381 [1,1,0,0,0,0|1,0,1]=4 4607 B14R1.598 CCNC(=O)CNc1ccccc1I 34a_100000210053_100000183381 [1,1,0,0,0,0|1,0,1]=4 4608 B14R1.598 CCNC(=O)CNc1ccccc1O 34a_100000185747_100000183381 [1,1,0,0,0,0|1,0,1]=4 4609 B14R1.598 CCNC(=O)COc1ccccc1Br 11a_100015525214_100000216496 [1,1,0,0,0,0|1,0,1]=4 4610 B14R1.598 CCNC(=O)COc1ccccc1Br 240690a_100015525214_100000216496 [1,1,0,0,0,0|1,0,1]=4 4611 B14R1.598 CCNC(=O)COc1ccccc1Br 34a_100000181306_100000183381 [1,1,0,0,0,0|1,0,1]=4 4612 B14R1.598 CCNC(=O)COc1ccccc1Br 527a_100015525214_100000216496 [1,1,0,0,0,0|1,0,1]=4 4613 B14R1.598 CCNC(=O)COc1ccccc1Br 7a_100000181306_100000183381 [1,1,0,0,0,0|1,0,1]=4 4614 B14R1.598 CCNC(=O)COc1ccccc1C 11a_100015525214_100000182418 [1,1,0,0,0,0|1,0,1]=4 4615 B14R1.598 CCNC(=O)COc1ccccc1C 240690a_100015525214_100000182418 [1,1,0,0,0,0|1,0,1]=4 4616 B14R1.598 CCNC(=O)COc1ccccc1C 34a_100000210338_100000183381 [1,1,0,0,0,0|1,0,1]=4 4617 B14R1.598 CCNC(=O)COc1ccccc1C 527a_100015525214_100000182418 [1,1,0,0,0,0|1,0,1]=4 4618 B14R1.598 CCNC(=O)COc1ccccc1C 7a_100000210338_100000183381 [1,1,0,0,0,0|1,0,1]=4 4619 B14R1.598 CCNC(=O)COc1ccccc1Cl 11a_100015525214_100000185159 [1,1,0,0,0,0|1,0,1]=4 4620 B14R1.598 CCNC(=O)COc1ccccc1Cl 240690a_100015525214_100000185159 [1,1,0,0,0,0|1,0,1]=4 4621 B14R1.598 CCNC(=O)COc1ccccc1Cl 34a_100000210172_100000183381 [1,1,0,0,0,0|1,0,1]=4 4622 B14R1.598 CCNC(=O)COc1ccccc1Cl 527a_100015525214_100000185159 [1,1,0,0,0,0|1,0,1]=4 4623 B14R1.598 CCNC(=O)COc1ccccc1Cl 7a_100000210172_100000183381 [1,1,0,0,0,0|1,0,1]=4 4624 B14R1.598 CCNC(=O)COc1ccccc1F 11a_100015525214_100000182486 [1,1,0,0,0,0|1,0,1]=4 4625 B14R1.598 CCNC(=O)COc1ccccc1F 240690a_100015525214_100000182486 [1,1,0,0,0,0|1,0,1]=4 4626 B14R1.598 CCNC(=O)COc1ccccc1F 34a_100000210171_100000183381 [1,1,0,0,0,0|1,0,1]=4 4627 B14R1.598 CCNC(=O)COc1ccccc1F 527a_100015525214_100000182486 [1,1,0,0,0,0|1,0,1]=4 4628 B14R1.598 CCNC(=O)COc1ccccc1F 7a_100000210171_100000183381 [1,1,0,0,0,0|1,0,1]=4 4629 B14R1.598 CCNC(=O)COc1ccccc1I 34a_100000739446_100000183381 [1,1,0,0,0,0|1,0,1]=4 4630 B14R1.598 CCNC(=O)COc1ccccc1I 7a_100000739446_100000183381 [1,1,0,0,0,0|1,0,1]=4 4631 B14R1.598 CCNC(=O)COc1ccccc1N 34a_100000185747_100000183381 [1,1,0,0,0,0|1,0,1]=4 4632 B14R1.598 CCNC(=O)COc1ccccc1N 7a_100000185747_100000183381 [1,1,0,0,0,0|1,0,1]=4 4633 B14R1.598 CCNC(=O)COc1ccccc1O 240690a_100015525214_100000183020 [1,1,0,0,0,0|1,0,1]=4 4634 B14R1.598 CCNC(=O)COc1ccccc1O 527a_100015525214_100000183020 [1,1,0,0,0,0|1,0,1]=4 4635 B14R1.598 CCNC(=O)CSc1ccccc1Br 62a_100000183381_100000695589 [1,1,0,0,0,0|1,0,1]=4 4636 B14R1.598 CCNC(=O)CSc1ccccc1Br 62a_100000695589_100000183381 [1,1,0,0,0,0|1,0,1]=4 4637 B14R1.598 CCNC(=O)CSc1ccccc1C 11a_100015525214_100000183026 [1,1,0,0,0,0|1,0,1]=4 4638 B14R1.598 CCNC(=O)CSc1ccccc1C 240690a_100015525214_100000183026 [1,1,0,0,0,0|1,0,1]=4 4639 B14R1.598 CCNC(=O)CSc1ccccc1C 527a_100015525214_100000183026 [1,1,0,0,0,0|1,0,1]=4 4640 B14R1.598 CCNC(=O)CSc1ccccc1C 62a_100000183381_100000210755 [1,1,0,0,0,0|1,0,1]=4 4641 B14R1.598 CCNC(=O)CSc1ccccc1C 62a_100000210755_100000183381 [1,1,0,0,0,0|1,0,1]=4 4642 B14R1.598 CCNC(=O)CSc1ccccc1Cl 62a_100000183381_100000764095 [1,1,0,0,0,0|1,0,1]=4 4643 B14R1.598 CCNC(=O)CSc1ccccc1Cl 62a_100000764095_100000183381 [1,1,0,0,0,0|1,0,1]=4 4644 B14R1.598 CCNC(=O)CSc1ccccc1F 11a_100015525214_100000179528 [1,1,0,0,0,0|1,0,1]=4 4645 B14R1.598 CCNC(=O)CSc1ccccc1F 240690a_100015525214_100000179528 [1,1,0,0,0,0|1,0,1]=4 4646 B14R1.598 CCNC(=O)CSc1ccccc1F 62a_100000183381_100011215700 [1,1,0,0,0,0|1,0,1]=4 4647 B14R1.598 CCNC(=O)CSc1ccccc1F 62a_100011215700_100000183381 [1,1,0,0,0,0|1,0,1]=4 4648 B14R1.598 CCNC(=O)CSc1ccccc1N 62a_100000183381_100000210017 [1,1,0,0,0,0|1,0,1]=4 4649 B14R1.598 CCNC(=O)CSc1ccccc1N 62a_100000210017_100000183381 [1,1,0,0,0,0|1,0,1]=4 4650 B14R1.598 CCNC(=O)CSc1ccccc1O 240690a_100015525214_100000695322 [1,1,0,0,0,0|1,0,1]=4 4651 B14R1.598 CCNC(=O)CSc1ccccc1O 527a_100015525214_100000695322 [1,1,0,0,0,0|1,0,1]=4 4652 B14R1.598 CCNC(=O)CSc1ccccc1O 62a_100000183381_100000739446 [1,1,0,0,0,0|1,0,1]=4 4653 B14R1.598 CCNC(=O)CSc1ccccc1O 62a_100000739446_100000183381 [1,1,0,0,0,0|1,0,1]=4 4654 B14R1.598 CCNC(=O)NCc1ccccc1Br 2708a_100000689332_100015525214 [1,1,0,0,0,0|1,0,1]=4 4655 B14R1.598 CCNC(=O)NCc1ccccc1Br 2708a_100015525214_100000689332 [1,1,0,0,0,0|1,0,1]=4 4656 B14R1.598 CCNC(=O)NCc1ccccc1Br 273464a_100000689332_100015525214 [1,1,0,0,0,0|1,0,1]=4 4657 B14R1.598 CCNC(=O)NCc1ccccc1Br 273464a_100015525214_100000689332 [1,1,0,0,0,0|1,0,1]=4 4658 B14R1.598 CCNC(=O)NCc1ccccc1Br 512a_100000689332_100015525214 [1,1,0,0,0,0|1,0,1]=4 4659 B14R1.598 CCNC(=O)NCc1ccccc1Br 512a_100015525214_100000689332 [1,1,0,0,0,0|1,0,1]=4 4660 B14R1.598 CCNC(=O)NCc1ccccc1C 2708a_100000174972_100015525214 [1,1,0,0,0,0|1,0,1]=4 4661 B14R1.598 CCNC(=O)NCc1ccccc1C 2708a_100015525214_100000174972 [1,1,0,0,0,0|1,0,1]=4 4662 B14R1.598 CCNC(=O)NCc1ccccc1C 273464a_100000174972_100015525214 [1,1,0,0,0,0|1,0,1]=4 4663 B14R1.598 CCNC(=O)NCc1ccccc1C 273464a_100015525214_100000174972 [1,1,0,0,0,0|1,0,1]=4 4664 B14R1.598 CCNC(=O)NCc1ccccc1C 512a_100000174972_100015525214 [1,1,0,0,0,0|1,0,1]=4 4665 B14R1.598 CCNC(=O)NCc1ccccc1C 512a_100015525214_100000174972 [1,1,0,0,0,0|1,0,1]=4 4666 B14R1.598 CCNC(=O)NCc1ccccc1Cl 2708a_100000174879_100015525214 [1,1,0,0,0,0|1,0,1]=4 4667 B14R1.598 CCNC(=O)NCc1ccccc1Cl 2708a_100015525214_100000174879 [1,1,0,0,0,0|1,0,1]=4 4668 B14R1.598 CCNC(=O)NCc1ccccc1Cl 273464a_100000174879_100015525214 [1,1,0,0,0,0|1,0,1]=4 4669 B14R1.598 CCNC(=O)NCc1ccccc1Cl 273464a_100015525214_100000174879 [1,1,0,0,0,0|1,0,1]=4 4670 B14R1.598 CCNC(=O)NCc1ccccc1Cl 512a_100015525214_100000174879 [1,1,0,0,0,0|1,0,1]=4 4671 B14R1.598 CCNC(=O)NCc1ccccc1F 2708a_100000174869_100015525214 [1,1,0,0,0,0|1,0,1]=4 4672 B14R1.598 CCNC(=O)NCc1ccccc1F 2708a_100015525214_100000174869 [1,1,0,0,0,0|1,0,1]=4 4673 B14R1.598 CCNC(=O)NCc1ccccc1F 273464a_100000174869_100015525214 [1,1,0,0,0,0|1,0,1]=4 4674 B14R1.598 CCNC(=O)NCc1ccccc1F 273464a_100015525214_100000174869 [1,1,0,0,0,0|1,0,1]=4 4675 B14R1.598 CCNC(=O)NCc1ccccc1F 512a_100000174869_100015525214 [1,1,0,0,0,0|1,0,1]=4 4676 B14R1.598 CCNC(=O)NCc1ccccc1F 512a_100015525214_100000174869 [1,1,0,0,0,0|1,0,1]=4 4677 B14R1.598 CCNC(=O)NCc1ccccc1I 2708a_100015347259_100015525214 [1,1,0,0,0,0|1,0,1]=4 4678 B14R1.598 CCNC(=O)NCc1ccccc1I 2708a_100015525214_100015347259 [1,1,0,0,0,0|1,0,1]=4 4679 B14R1.598 CCNC(=O)NCc1ccccc1I 273464a_100015347259_100015525214 [1,1,0,0,0,0|1,0,1]=4 4680 B14R1.598 CCNC(=O)NCc1ccccc1I 273464a_100015525214_100015347259 [1,1,0,0,0,0|1,0,1]=4 4681 B14R1.598 CCNC(=O)NCc1ccccc1I 512a_100015347259_100015525214 [1,1,0,0,0,0|1,0,1]=4 4682 B14R1.598 CCNC(=O)NCc1ccccc1I 512a_100015525214_100015347259 [1,1,0,0,0,0|1,0,1]=4 4683 B14R1.598 CCNC(=O)NCc1ccccc1O 2708a_100000185550_100015525214 [1,1,0,0,0,0|1,0,1]=4 4684 B14R1.598 CCNC(=O)NCc1ccccc1O 2708a_100015525214_100000185550 [1,1,0,0,0,0|1,0,1]=4 4685 B14R1.598 CCNC(=O)NCc1ccccc1O 273464a_100000185550_100015525214 [1,1,0,0,0,0|1,0,1]=4 4686 B14R1.598 CCNC(=O)NCc1ccccc1O 273464a_100015525214_100000185550 [1,1,0,0,0,0|1,0,1]=4 4687 B14R1.598 CCNC(=O)NCc1ccccc1O 512a_100000185550_100015525214 [1,1,0,0,0,0|1,0,1]=4 4688 B14R1.598 CCNC(=O)NNc1ccccc1Br 273464a_100015525214_100000241748 [1,1,0,0,0,0|2,0,0]=4 4689 B14R1.598 CCNC(=O)NNc1ccccc1Br 512a_100015525214_100000241748 [1,1,0,0,0,0|2,0,0]=4 4690 B14R1.598 CCNC(=O)NNc1ccccc1C 273464a_100015525214_100000184220 [1,1,0,0,0,0|2,0,0]=4 4691 B14R1.598 CCNC(=O)NNc1ccccc1C 512a_100015525214_100000184220 [1,1,0,0,0,0|2,0,0]=4 4692 B14R1.598 CCNC(=O)NNc1ccccc1Cl 273464a_100015525214_100000683529 [1,1,0,0,0,0|2,0,0]=4 4693 B14R1.598 CCNC(=O)NNc1ccccc1Cl 512a_100015525214_100000683529 [1,1,0,0,0,0|2,0,0]=4 4694 B14R1.598 CCNC(=O)NNc1ccccc1F 273464a_100015525214_100000239246 [1,1,0,0,0,0|2,0,0]=4 4695 B14R1.598 CCNC(=O)NNc1ccccc1F 512a_100015525214_100000239246 [1,1,0,0,0,0|2,0,0]=4 4696 B14R1.598 CCNC(=O)NNc1ccccc1I 273464a_100015525214_100011218156 [1,1,0,0,0,0|2,0,0]=4 4697 B14R1.598 CCNC(=O)NNc1ccccc1I 512a_100015525214_100011218156 [1,1,0,0,0,0|2,0,0]=4 4698 B14R1.598 CCOC(=O)/C=C/c1ccccc1O 271570a_203496583355_100016317929 [1,1,0,0,0,0|1,0,0]=3 4699 B14R1.598 CCOC(=O)/C=C/c1cccnc1O 271570a_203496583355_200020681690 [1,1,0,0,0,0|2,0,0]=4 4700 B14R1.598 CCOC(=O)C=Cc1c[nH]ccc1=O 271570a_100010199719_100009998708 [1,1,0,0,0,0|2,0,0]=4 4701 B14R1.598 CCOC(=O)C=Cc1c[nH]ccc1=S 271570a_100010199719_200012280681 [1,1,0,0,0,0|2,0,0]=4 4702 B14R1.598 CCOC(=O)C=Cc1ccc[nH]c1=O 271570a_100010199719_100000050042 [1,1,0,0,0,0|2,0,0]=4 4703 B14R1.598 CCOC(=O)C=Cc1cccc[n+]1C 271570a_100010199719_100000212160 [1,1,0,0,0,0|2,0,0]=4 4704 B14R1.598 CCOC(=O)C=Cc1cccc[n+]1[O-] 271570a_100010199719_200000042595 [1,1,0,0,0,0|2,0,0]=4 4705 B14R1.598 CCOC(=O)C=Cc1ccccc1Br 271570a_100010199719_100000695589 [1,1,0,0,0,0|1,0,0]=3 4706 B14R1.598 CCOC(=O)C=Cc1ccccc1C 271570a_100010199719_100000210755 [1,1,0,0,0,0|1,0,0]=3 4707 B14R1.598 CCOC(=O)C=Cc1ccccc1Cl 271570a_100010199719_100000764095 [1,1,0,0,0,0|1,0,0]=3 4708 B14R1.598 CCOC(=O)C=Cc1ccccc1F 271570a_100010199719_100011215700 [1,1,0,0,0,0|1,0,0]=3 4709 B14R1.598 CCOC(=O)C=Cc1ccccc1N 271570a_100010199719_100000210017 [1,1,0,0,0,0|1,0,0]=3 4710 B14R1.598 CCOC(=O)C=Cc1ccccc1O 271570a_100010199719_100000739446 [1,1,0,0,0,0|1,0,0]=3 4711 B14R1.598 CCOC(=O)C=Cc1cccnc1Br 271570a_100010199719_100010202626 [1,1,0,0,0,0|2,0,0]=4 4712 B14R1.598 CCOC(=O)C=Cc1cccnc1C 271570a_100010199719_100000751574 [1,1,0,0,0,0|2,0,0]=4 4713 B14R1.598 CCOC(=O)C=Cc1cccnc1Cl 271570a_100010199719_100000036424 [1,1,0,0,0,0|2,0,0]=4 4714 B14R1.598 CCOC(=O)C=Cc1cccnc1F 271570a_100010199719_100009816115 [1,1,0,0,0,0|2,0,0]=4 4715 B14R1.598 CCOC(=O)C=Cc1cccnc1N 271570a_100010199719_100000045569 [1,1,0,0,0,0|2,0,0]=4 4716 B14R1.598 CCOC(=O)C=Cc1ccncc1Br 271570a_100010199719_100000726257 [1,1,0,0,0,0|2,0,0]=4 4717 B14R1.598 CCOC(=O)C=Cc1ccncc1C 271570a_100010199719_100015191297 [1,1,0,0,0,0|2,0,0]=4 4718 B14R1.598 CCOC(=O)C=Cc1ccncc1Cl 271570a_100010199719_100000708259 [1,1,0,0,0,0|2,0,0]=4 4719 B14R1.598 CCOC(=O)C=Cc1ccncc1F 271570a_100010199719_100000047030 [1,1,0,0,0,0|2,0,0]=4 4720 B14R1.598 CCOC(=O)C=Cc1ccncc1N 271570a_100010199719_100009815883 [1,1,0,0,0,0|2,0,0]=4 4721 B14R1.598 CCOC(=O)C=Cc1ccncc1O 271570a_100010199719_100009817591 [1,1,0,0,0,0|2,0,0]=4 4722 B14R1.598 CCOC(=O)C=Cc1cnccc1Br 271570a_100010199719_100010138639 [1,1,0,0,0,0|2,0,0]=4 4723 B14R1.598 CCOC(=O)C=Cc1cnccc1C 271570a_100010199719_100000761580 [1,1,0,0,0,0|2,0,0]=4 4724 B14R1.598 CCOC(=O)C=Cc1cnccc1Cl 271570a_100010199719_100009995489 [1,1,0,0,0,0|2,0,0]=4 4725 B14R1.598 CCOC(=O)C=Cc1cnccc1F 271570a_100010199719_100009820683 [1,1,0,0,0,0|2,0,0]=4 4726 B14R1.598 CCOC(=O)C=Cc1cnccc1N 271570a_100010199719_100000047001 [1,1,0,0,0,0|2,0,0]=4 4727 B14R1.598 CCOC(=O)C=Cc1ncccc1Br 271570a_100010199719_100000696092 [1,1,0,0,0,0|2,0,0]=4 4728 B14R1.598 CCOC(=O)C=Cc1ncccc1C 271570a_100010199719_100000751373 [1,1,0,0,0,0|2,0,0]=4 4729 B14R1.598 CCOC(=O)C=Cc1ncccc1Cl 271570a_100010199719_100011356963 [1,1,0,0,0,0|2,0,0]=4 4730 B14R1.598 CCOC(=O)C=Cc1ncccc1F 271570a_100010199719_100000685392 [1,1,0,0,0,0|2,0,0]=4 4731 B14R1.598 CCOC(=O)C=Cc1ncccc1N 271570a_100010199719_100000688686 [1,1,0,0,0,0|2,0,0]=4 4732 B14R1.598 CCOC(=O)C=Cc1ncccc1O 271570a_100010199719_100000034122 [1,1,0,0,0,0|2,0,0]=4 4733 B14R1.598 CNNC(=O)C=Cc1ccccc1Br 22a_100016993582_100000719032 [1,1,0,0,0,0|1,0,0]=3 4734 B14R1.598 CNNC(=O)C=Cc1ccccc1C 22a_100016993582_100016266485 [1,1,0,0,0,0|1,0,0]=3 4735 B14R1.598 CNNC(=O)C=Cc1ccccc1Cl 22a_100016993582_100000720304 [1,1,0,0,0,0|1,0,0]=3 4736 B14R1.598 CNNC(=O)C=Cc1ccccc1F 22a_100016993582_100016256065 [1,1,0,0,0,0|1,0,0]=3 4737 B14R1.598 CNNC(=O)C=Cc1ccccc1O 22a_100016993582_100016263591 [1,1,0,0,0,0|1,0,0]=3 4738 B14R1.598 Cc1ccccc1CCC(=O)CCO 1458a_100000748742_100000211926 [1,1,0,0,0,0|0,0,2]=4 4739 B14R1.598 Cc1ccccc1CCC(=O)CCO 1458a_100011216618_100011713688 [1,1,0,0,0,0|0,0,2]=4 4740 B14R1.598 Cc1ccccc1CNC(=O)CCO 240690a_100000174972_100011216618 [1,1,0,0,0,0|1,0,1]=4 4741 B14R1.598 Cc1ccccc1NCC(=O)NCO 34a_100015192222_100000185155 [1,1,0,0,0,0|1,0,1]=4 4742 B14R1.598 Cc1ccccc1NNC(=O)CCO 22a_100000184220_100011216618 [1,1,0,0,0,0|2,0,0]=4 4743 B14R1.598 Cc1ccccc1OCC(=O)CCO 1458a_100000182418_100000211926 [1,1,0,0,0,0|1,0,1]=4 4744 B14R1.598 Cc1ccccc1OCC(=O)NCO 34a_100000210338_100000185155 [1,1,0,0,0,0|1,0,1]=4 4745 B14R1.598 Cc1ccccc1OCC(=O)NCO 7a_100000210338_100000185155 [1,1,0,0,0,0|1,0,1]=4 4746 B14R1.598 Cc1ccccc1SCC(=O)CCO 1458a_100000183026_100000211926 [1,1,0,0,0,0|1,0,1]=4 4747 B14R1.598 Cc1ccccc1SCC(=O)NCO 62a_100000185155_100000210755 [1,1,0,0,0,0|1,0,1]=4 4748 B14R1.598 Cc1ccccc1SCC(=O)NCO 62a_100000210755_100000185155 [1,1,0,0,0,0|1,0,1]=4 4749 B14R1.598 N#CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011214920 [1,1,0,0,0,0|1,0,1]=4 4750 B14R1.598 N#CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011214920 [1,1,0,0,0,0|1,0,1]=4 4751 B14R1.598 N#CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011214920 [1,1,0,0,0,0|1,0,1]=4 4752 B14R1.598 N#CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011214920 [1,1,0,0,0,0|1,0,1]=4 4753 B14R1.598 Nc1ccccc1OCC(=O)NCO 34a_100000185747_100000185155 [1,1,0,0,0,0|1,0,1]=4 4754 B14R1.598 Nc1ccccc1OCC(=O)NCO 7a_100000185747_100000185155 [1,1,0,0,0,0|1,0,1]=4 4755 B14R1.598 Nc1ccccc1SCC(=O)NCO 62a_100000185155_100000210017 [1,1,0,0,0,0|1,0,1]=4 4756 B14R1.598 Nc1ccccc1SCC(=O)NCO 62a_100000210017_100000185155 [1,1,0,0,0,0|1,0,1]=4 4757 B14R1.598 O=C(C#Cc1ccccc1F)CCO 1458a_100011892747_100000211926 [1,1,0,0,0,0|0,0,2]=4 4758 B14R1.598 O=C(C=Cc1ccccc1Br)CCF 1458a_100000719032_100011217306 [1,1,0,0,0,0|1,0,0]=3 4759 B14R1.598 O=C(C=Cc1ccccc1Br)CCO 1458a_100000719032_100000211926 [1,1,0,0,0,0|0,0,0]=2 4760 B14R1.598 O=C(C=Cc1ccccc1Cl)CCF 1458a_100000720304_100011217306 [1,1,0,0,0,0|1,0,0]=3 4761 B14R1.598 O=C(C=Cc1ccccc1Cl)CCO 1458a_100000720304_100000211926 [1,1,0,0,0,0|0,0,0]=2 4762 B14R1.598 O=C(C=Cc1ccccc1F)CCF 1458a_100016256065_100011217306 [1,1,0,0,0,0|1,0,0]=3 4763 B14R1.598 O=C(C=Cc1ccccc1F)CCO 1458a_100016256065_100000211926 [1,1,0,0,0,0|0,0,0]=2 4764 B14R1.598 O=C(C=Cc1ccccc1O)CCF 1458a_100016263591_100011217306 [1,1,0,0,0,0|1,0,0]=3 4765 B14R1.598 O=C(C=Cc1ccccc1O)CCO 1458a_100016263591_100000211926 [1,1,0,0,0,0|0,0,0]=2 4766 B14R1.598 O=C(CCO)CCc1ccccc1Br 1458a_100000740810_100000211926 [1,1,0,0,0,0|0,0,2]=4 4767 B14R1.598 O=C(CCO)CCc1ccccc1Br 1458a_100011216618_100012161201 [1,1,0,0,0,0|0,0,2]=4 4768 B14R1.598 O=C(CCO)CCc1ccccc1Cl 1458a_100000184300_100000211926 [1,1,0,0,0,0|0,0,2]=4 4769 B14R1.598 O=C(CCO)CCc1ccccc1Cl 1458a_100011216618_100011713703 [1,1,0,0,0,0|0,0,2]=4 4770 B14R1.598 O=C(CCO)CCc1ccccc1F 1458a_100000189703_100000211926 [1,1,0,0,0,0|0,0,2]=4 4771 B14R1.598 O=C(CCO)CCc1ccccc1F 1458a_100011216618_100000720011 [1,1,0,0,0,0|0,0,2]=4 4772 B14R1.598 O=C(CCO)CCc1ccccc1I 1458a_100000037306_100000211926 [1,1,0,0,0,0|0,0,2]=4 4773 B14R1.598 O=C(CCO)CCc1ccccc1O 1458a_100000181328_100000211926 [1,1,0,0,0,0|0,0,2]=4 4774 B14R1.598 O=C(CCO)CCc1ccccc1O 1458a_100011216618_100000722297 [1,1,0,0,0,0|0,0,2]=4 4775 B14R1.598 O=C(CCO)COc1ccccc1Br 1458a_100000216496_100000211926 [1,1,0,0,0,0|1,0,1]=4 4776 B14R1.598 O=C(CCO)COc1ccccc1Cl 1458a_100000185159_100000211926 [1,1,0,0,0,0|1,0,1]=4 4777 B14R1.598 O=C(CCO)COc1ccccc1F 1458a_100000182486_100000211926 [1,1,0,0,0,0|1,0,1]=4 4778 B14R1.598 O=C(CCO)COc1ccccc1O 1458a_100000183020_100000211926 [1,1,0,0,0,0|1,0,1]=4 4779 B14R1.598 O=C(CCO)CSc1ccccc1F 1458a_100000179528_100000211926 [1,1,0,0,0,0|1,0,1]=4 4780 B14R1.598 O=C(CCO)CSc1ccccc1O 1458a_100000695322_100000211926 [1,1,0,0,0,0|1,0,1]=4 4781 B14R1.598 O=C(CCO)NCc1ccccc1Br 240690a_100000689332_100011216618 [1,1,0,0,0,0|1,0,1]=4 4782 B14R1.598 O=C(CCO)NCc1ccccc1Cl 240690a_100000174879_100011216618 [1,1,0,0,0,0|1,0,1]=4 4783 B14R1.598 O=C(CCO)NCc1ccccc1F 240690a_100000174869_100011216618 [1,1,0,0,0,0|1,0,1]=4 4784 B14R1.598 O=C(CCO)NCc1ccccc1I 240690a_100015347259_100011216618 [1,1,0,0,0,0|1,0,1]=4 4785 B14R1.598 O=C(CCO)NCc1ccccc1O 240690a_100000185550_100011216618 [1,1,0,0,0,0|1,0,1]=4 4786 B14R1.598 O=C(CCO)NNc1ccccc1Br 22a_100000241748_100011216618 [1,1,0,0,0,0|2,0,0]=4 4787 B14R1.598 O=C(CCO)NNc1ccccc1Cl 22a_100000683529_100011216618 [1,1,0,0,0,0|2,0,0]=4 4788 B14R1.598 O=C(CCO)NNc1ccccc1F 22a_100000239246_100011216618 [1,1,0,0,0,0|2,0,0]=4 4789 B14R1.598 O=C(CCO)NNc1ccccc1I 22a_100011218156_100011216618 [1,1,0,0,0,0|2,0,0]=4 4790 B14R1.598 O=C(CNc1ccccc1Br)NCO 34a_100000210017_100000185155 [1,1,0,0,0,0|1,0,1]=4 4791 B14R1.598 O=C(CNc1ccccc1Cl)NCO 34a_100000185783_100000185155 [1,1,0,0,0,0|1,0,1]=4 4792 B14R1.598 O=C(CNc1ccccc1F)NCO 34a_100000210422_100000185155 [1,1,0,0,0,0|1,0,1]=4 4793 B14R1.598 O=C(CNc1ccccc1I)NCO 34a_100000210053_100000185155 [1,1,0,0,0,0|1,0,1]=4 4794 B14R1.598 O=C(CNc1ccccc1O)NCO 34a_100000185747_100000185155 [1,1,0,0,0,0|1,0,1]=4 4795 B14R1.598 O=C(COc1ccccc1Br)NCO 34a_100000181306_100000185155 [1,1,0,0,0,0|1,0,1]=4 4796 B14R1.598 O=C(COc1ccccc1Br)NCO 7a_100000181306_100000185155 [1,1,0,0,0,0|1,0,1]=4 4797 B14R1.598 O=C(COc1ccccc1Cl)NCO 34a_100000210172_100000185155 [1,1,0,0,0,0|1,0,1]=4 4798 B14R1.598 O=C(COc1ccccc1Cl)NCO 7a_100000210172_100000185155 [1,1,0,0,0,0|1,0,1]=4 4799 B14R1.598 O=C(COc1ccccc1F)NCO 34a_100000210171_100000185155 [1,1,0,0,0,0|1,0,1]=4 4800 B14R1.598 O=C(COc1ccccc1F)NCO 7a_100000210171_100000185155 [1,1,0,0,0,0|1,0,1]=4 4801 B14R1.598 O=C(COc1ccccc1I)NCO 34a_100000739446_100000185155 [1,1,0,0,0,0|1,0,1]=4 4802 B14R1.598 O=C(COc1ccccc1I)NCO 7a_100000739446_100000185155 [1,1,0,0,0,0|1,0,1]=4 4803 B14R1.598 O=C(CSc1ccccc1Br)NCO 62a_100000185155_100000695589 [1,1,0,0,0,0|1,0,1]=4 4804 B14R1.598 O=C(CSc1ccccc1Br)NCO 62a_100000695589_100000185155 [1,1,0,0,0,0|1,0,1]=4 4805 B14R1.598 O=C(CSc1ccccc1Cl)NCO 62a_100000185155_100000764095 [1,1,0,0,0,0|1,0,1]=4 4806 B14R1.598 O=C(CSc1ccccc1Cl)NCO 62a_100000764095_100000185155 [1,1,0,0,0,0|1,0,1]=4 4807 B14R1.598 O=C(CSc1ccccc1F)NCO 62a_100000185155_100011215700 [1,1,0,0,0,0|1,0,1]=4 4808 B14R1.598 O=C(CSc1ccccc1F)NCO 62a_100011215700_100000185155 [1,1,0,0,0,0|1,0,1]=4 4809 B14R1.598 O=C(CSc1ccccc1O)NCO 62a_100000185155_100000739446 [1,1,0,0,0,0|1,0,1]=4 4810 B14R1.598 O=C(CSc1ccccc1O)NCO 62a_100000739446_100000185155 [1,1,0,0,0,0|1,0,1]=4 4811 B14R1.756 C#CC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_200000035995 [1,1,0,0,0,0|1,0,1]=4 4812 B14R1.756 CC(C#N)C(=O)C=Cc1ccccc1 1458a_100000210462_100000703298 [1,1,0,0,0,0|1,0,1]=4 4813 B14R1.756 CCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000758301 [1,1,0,0,0,0|1,0,0]=3 4814 B14R1.756 CCC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100000758301 [1,1,0,0,0,0|2,0,0]=4 4815 B14R1.756 CCC(C)C(=O)C=Cc1cccnc1 1458a_100000735890_100000758301 [1,1,0,0,0,0|2,0,0]=4 4816 B14R1.756 CCC(C)C(=O)C=Cc1ccncc1 1458a_100000682801_100000758301 [1,1,0,0,0,0|2,0,0]=4 4817 B14R1.756 CCN(C)C(=O)C#Cc1ccccc1 240690a_100000225621_100000736102 [1,1,0,0,0,0|0,0,2]=4 4818 B14R1.756 CCN(C)C(=O)C=Cc1ccccc1 11a_100000225621_100000210462 [1,1,0,0,0,0|0,0,0]=2 4819 B14R1.756 CCN(C)C(=O)C=Cc1ccccc1 1626a_100000225621_100000210462 [1,1,0,0,0,0|0,0,0]=2 4820 B14R1.756 CCN(C)C(=O)C=Cc1ccccn1 11a_100000225621_100000740811 [1,1,0,0,0,0|1,0,0]=3 4821 B14R1.756 CCN(C)C(=O)C=Cc1ccccn1 240690a_100000225621_100000740811 [1,1,0,0,0,0|1,0,0]=3 4822 B14R1.756 CCN(C)C(=O)C=Cc1cccnc1 11a_100000225621_100000735890 [1,1,0,0,0,0|1,0,0]=3 4823 B14R1.756 CCN(C)C(=O)C=Cc1cccnc1 240690a_100000225621_100000735890 [1,1,0,0,0,0|1,0,0]=3 4824 B14R1.756 CCN(C)C(=O)C=Cc1ccncc1 240690a_100000225621_100000682801 [1,1,0,0,0,0|1,0,0]=3 4825 B14R1.756 CCN(C)C(=O)CCc1ccccc1 11a_100000225621_100000185753 [1,1,0,0,0,0|0,0,2]=4 4826 B14R1.756 CCN(C)C(=O)CCc1ccccc1 1626a_100000225621_100000185753 [1,1,0,0,0,0|0,0,2]=4 4827 B14R1.756 CCN(C)C(=O)CCc1ccccc1 240690a_100000225621_100000185753 [1,1,0,0,0,0|0,0,2]=4 4828 B14R1.756 CCN(C)C(=O)CCc1ccccc1 527a_100000225621_100000185753 [1,1,0,0,0,0|0,0,2]=4 4829 B14R1.756 CCN(C)C(=O)CNc1ccccc1 34a_100000106764_100000738999 [1,1,0,0,0,0|1,0,1]=4 4830 B14R1.756 CCN(C)C(=O)COc1ccccc1 11a_100000225621_100000186222 [1,1,0,0,0,0|1,0,1]=4 4831 B14R1.756 CCN(C)C(=O)COc1ccccc1 1626a_100000225621_100000186222 [1,1,0,0,0,0|1,0,1]=4 4832 B14R1.756 CCN(C)C(=O)COc1ccccc1 240690a_100000225621_100000186222 [1,1,0,0,0,0|1,0,1]=4 4833 B14R1.756 CCN(C)C(=O)COc1ccccc1 34a_100000210340_100000738999 [1,1,0,0,0,0|1,0,1]=4 4834 B14R1.756 CCN(C)C(=O)COc1ccccc1 527a_100000225621_100000186222 [1,1,0,0,0,0|1,0,1]=4 4835 B14R1.756 CCN(C)C(=O)COc1ccccc1 7a_100000210340_100000738999 [1,1,0,0,0,0|1,0,1]=4 4836 B14R1.756 CCN(C)C(=O)CSc1ccccc1 11a_100000225621_100000211596 [1,1,0,0,0,0|1,0,1]=4 4837 B14R1.756 CCN(C)C(=O)CSc1ccccc1 1626a_100000225621_100000211596 [1,1,0,0,0,0|1,0,1]=4 4838 B14R1.756 CCN(C)C(=O)CSc1ccccc1 240690a_100000225621_100000211596 [1,1,0,0,0,0|1,0,1]=4 4839 B14R1.756 CCN(C)C(=O)CSc1ccccc1 527a_100000225621_100000211596 [1,1,0,0,0,0|1,0,1]=4 4840 B14R1.756 CCN(C)C(=O)CSc1ccccc1 62a_100000719477_100000738999 [1,1,0,0,0,0|1,0,1]=4 4841 B14R1.756 CCN(C)C(=O)CSc1ccccc1 62a_100000738999_100000041952 [1,1,0,0,0,0|1,0,1]=4 4842 B14R1.756 CCN(C)C(=O)NCc1ccccc1 2708a_100015324214_100000225621 [1,1,0,0,0,0|1,0,1]=4 4843 B14R1.756 CCN(C)C(=O)NCc1ccccc1 273464a_100015324214_100000225621 [1,1,0,0,0,0|1,0,1]=4 4844 B14R1.756 O=C(CCc1ccccc1)C(O)CO 1458a_100011215603_100000765856 [1,1,0,0,0,0|0,0,2]=4 4845 B14R1.756 O=C(NCc1ccccc1)C(O)CO 240690a_100015324214_100011215603 [1,1,0,0,0,0|1,0,1]=4 4846 B14R1.756 O=C(NNc1ccccc1)C(O)CO 22a_100015195140_100011215603 [1,1,0,0,0,0|2,0,0]=4 4847 B14R1.818 C=C(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000748629 [1,1,0,0,0,0|1,0,1]=4 4848 B14R1.818 C=C(F)CC(=O)C=Cc1ccccc1 1458a_100000210462_100009893438 [1,1,0,0,0,0|1,0,1]=4 4849 B14R1.818 CC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000210624 [1,1,0,0,0,0|1,0,0]=3 4850 B14R1.818 CC(C)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000210624 [1,1,0,0,0,0|2,0,0]=4 4851 B14R1.818 CC(C)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000210624 [1,1,0,0,0,0|2,0,0]=4 4852 B14R1.818 CC(C)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000210624 [1,1,0,0,0,0|2,0,0]=4 4853 B14R1.818 CC(C)NC(=O)C#Cc1ccccc1 240690a_100138425928_100000736102 [1,1,0,0,0,0|0,0,2]=4 4854 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 11a_100138425928_100000210462 [1,1,0,0,0,0|0,0,0]=2 4855 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 1626a_100138425928_100000210462 [1,1,0,0,0,0|0,0,0]=2 4856 B14R1.818 CC(C)NC(=O)C=Cc1ccccn1 11a_100138425928_100000740811 [1,1,0,0,0,0|1,0,0]=3 4857 B14R1.818 CC(C)NC(=O)C=Cc1ccccn1 240690a_100138425928_100000740811 [1,1,0,0,0,0|1,0,0]=3 4858 B14R1.818 CC(C)NC(=O)C=Cc1cccnc1 11a_100138425928_100000735890 [1,1,0,0,0,0|1,0,0]=3 4859 B14R1.818 CC(C)NC(=O)C=Cc1cccnc1 240690a_100138425928_100000735890 [1,1,0,0,0,0|1,0,0]=3 4860 B14R1.818 CC(C)NC(=O)C=Cc1ccncc1 240690a_100138425928_100000682801 [1,1,0,0,0,0|1,0,0]=3 4861 B14R1.818 CC(C)NC(=O)CCc1ccccc1 11a_100138425928_100000185753 [1,1,0,0,0,0|0,0,2]=4 4862 B14R1.818 CC(C)NC(=O)CCc1ccccc1 1626a_100138425928_100000185753 [1,1,0,0,0,0|0,0,2]=4 4863 B14R1.818 CC(C)NC(=O)CCc1ccccc1 240690a_100138425928_100000185753 [1,1,0,0,0,0|0,0,2]=4 4864 B14R1.818 CC(C)NC(=O)CCc1ccccc1 527a_100138425928_100000185753 [1,1,0,0,0,0|0,0,2]=4 4865 B14R1.818 CC(C)NC(=O)CNc1ccccc1 34a_100000106764_100000183996 [1,1,0,0,0,0|1,0,1]=4 4866 B14R1.818 CC(C)NC(=O)COc1ccccc1 11a_100138425928_100000186222 [1,1,0,0,0,0|1,0,1]=4 4867 B14R1.818 CC(C)NC(=O)COc1ccccc1 1626a_100138425928_100000186222 [1,1,0,0,0,0|1,0,1]=4 4868 B14R1.818 CC(C)NC(=O)COc1ccccc1 240690a_100138425928_100000186222 [1,1,0,0,0,0|1,0,1]=4 4869 B14R1.818 CC(C)NC(=O)COc1ccccc1 34a_100000210340_100000183996 [1,1,0,0,0,0|1,0,1]=4 4870 B14R1.818 CC(C)NC(=O)COc1ccccc1 527a_100138425928_100000186222 [1,1,0,0,0,0|1,0,1]=4 4871 B14R1.818 CC(C)NC(=O)COc1ccccc1 7a_100000210340_100000183996 [1,1,0,0,0,0|1,0,1]=4 4872 B14R1.818 CC(C)NC(=O)CSc1ccccc1 11a_100138425928_100000211596 [1,1,0,0,0,0|1,0,1]=4 4873 B14R1.818 CC(C)NC(=O)CSc1ccccc1 1626a_100138425928_100000211596 [1,1,0,0,0,0|1,0,1]=4 4874 B14R1.818 CC(C)NC(=O)CSc1ccccc1 240690a_100138425928_100000211596 [1,1,0,0,0,0|1,0,1]=4 4875 B14R1.818 CC(C)NC(=O)CSc1ccccc1 527a_100138425928_100000211596 [1,1,0,0,0,0|1,0,1]=4 4876 B14R1.818 CC(C)NC(=O)CSc1ccccc1 62a_100000183996_100000041952 [1,1,0,0,0,0|1,0,1]=4 4877 B14R1.818 CC(C)NC(=O)CSc1ccccc1 62a_100000719477_100000183996 [1,1,0,0,0,0|1,0,1]=4 4878 B14R1.818 CC(C)NC(=O)NCc1ccccc1 2708a_100015324214_100138425928 [1,1,0,0,0,0|1,0,1]=4 4879 B14R1.818 CC(C)NC(=O)NCc1ccccc1 2708a_100138425928_100015324214 [1,1,0,0,0,0|1,0,1]=4 4880 B14R1.818 CC(C)NC(=O)NCc1ccccc1 273464a_100138425928_100015324214 [1,1,0,0,0,0|1,0,1]=4 4881 B14R1.818 CC(C)NC(=O)NCc1ccccc1 512a_100015324214_100138425928 [1,1,0,0,0,0|1,0,1]=4 4882 B14R1.818 CC(C)NC(=O)NCc1ccccc1 512a_100138425928_100015324214 [1,1,0,0,0,0|1,0,1]=4 4883 B14R1.818 CC(C)NC(=O)NNc1ccccc1 273464a_100138425928_100015195140 [1,1,0,0,0,0|2,0,0]=4 4884 B14R1.818 CC(C)NC(=O)NNc1ccccc1 512a_100138425928_100015195140 [1,1,0,0,0,0|2,0,0]=4 4885 B14R1.818 CC(O)CC(=O)C#Cc1ccccc1 1458a_100000736102_100011218427 [1,1,0,0,0,0|0,0,2]=4 4886 B14R1.818 CC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011218427 [1,1,0,0,0,0|0,0,0]=2 4887 B14R1.818 CC(O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100011218427 [1,1,0,0,0,0|1,0,0]=3 4888 B14R1.818 CC(O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100011218427 [1,1,0,0,0,0|1,0,0]=3 4889 B14R1.818 CC(O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100011218427 [1,1,0,0,0,0|1,0,0]=3 4890 B14R1.818 CC(O)CC(=O)CCc1ccccc1 1458a_100000185753_100011218427 [1,1,0,0,0,0|0,0,2]=4 4891 B14R1.818 CC(O)CC(=O)COc1ccccc1 1458a_100000186222_100011218427 [1,1,0,0,0,0|1,0,1]=4 4892 B14R1.818 CC(O)CC(=O)CSc1ccccc1 1458a_100000211596_100011218427 [1,1,0,0,0,0|1,0,1]=4 4893 B14R1.818 C[C@@H](O)CC(=O)CCc1ccccc1 1458a_100011933948_100000765856 [1,1,0,0,0,0|0,0,2]=4 4894 B14R1.818 C[C@@H](O)CC(=O)NCc1ccccc1 240690a_100015324214_100011933948 [1,1,0,0,0,0|1,0,1]=4 4895 B14R1.818 C[C@@H](O)CC(=O)NNc1ccccc1 22a_100015195140_100011933948 [1,1,0,0,0,0|2,0,0]=4 4896 B14R1.818 NC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000187820 [1,1,0,0,0,0|0,0,2]=4 4897 B14R1.818 O=C(C=Cc1ccccc1)CC(F)F 1458a_100000210462_100011934356 [1,1,0,0,0,0|1,0,0]=3 4898 B14R1.818 O=C(C=Cc1ccccc1)C[N+](=O)[O-] 1458a_100000210462_100000761209 [1,1,0,0,0,0|1,0,1]=4 4899 B14R1.818 O=C(C=Cc1ccccn1)CC(F)F 1458a_100000740811_100011934356 [1,1,0,0,0,0|2,0,0]=4 4900 B14R1.818 O=C(C=Cc1cccnc1)CC(F)F 1458a_100000735890_100011934356 [1,1,0,0,0,0|2,0,0]=4 4901 B14R1.818 O=C(C=Cc1ccncc1)CC(F)F 1458a_100000682801_100011934356 [1,1,0,0,0,0|2,0,0]=4 4902 B14R1.818 O=C([O-])CC(=O)C=Cc1ccccc1 1458a_100000210462_100020667443 [1,1,0,0,0,0|0,0,2]=4 4903 B14R1.6829 CCNS(=O)(=O)C=Cc1ccccc1 40a_100015525214_100011098038 [1,1,0,0,0,0|1,0,0]=3 4904 B14R1.6829 CNNS(=O)(=O)C=Cc1ccccc1 40a_100016993582_100011098038 [1,1,0,0,0,0|2,0,0]=4 4905 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br 11a_100020643023_100000198978 [0,1,0,0,1,0|1,0,1]=4 4906 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br 240690a_100020643023_100000198978 [0,1,0,0,1,0|1,0,1]=4 4907 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Br 527a_100020643023_100000198978 [0,1,0,0,1,0|1,0,1]=4 4908 B14R1.33 CCCNC(=O)Cc1ccc(cc1)C 11a_100020643023_100000212244 [0,1,0,0,1,0|1,0,1]=4 4909 B14R1.33 CCCNC(=O)Cc1ccc(cc1)C 240690a_100020643023_100000212244 [0,1,0,0,1,0|1,0,1]=4 4910 B14R1.33 CCCNC(=O)Cc1ccc(cc1)C 527a_100020643023_100000212244 [0,1,0,0,1,0|1,0,1]=4 4911 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Cl 11a_100020643023_100000211027 [0,1,0,0,1,0|1,0,1]=4 4912 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Cl 240690a_100020643023_100000211027 [0,1,0,0,1,0|1,0,1]=4 4913 B14R1.33 CCCNC(=O)Cc1ccc(cc1)Cl 527a_100020643023_100000211027 [0,1,0,0,1,0|1,0,1]=4 4914 B14R1.33 CCCNC(=O)Cc1ccc(cc1)F 11a_100020643023_100000210951 [0,1,0,0,1,0|1,0,1]=4 4915 B14R1.33 CCCNC(=O)Cc1ccc(cc1)F 1626a_100020643023_100000210951 [0,1,0,0,1,0|1,0,1]=4 4916 B14R1.33 CCCNC(=O)Cc1ccc(cc1)F 240690a_100020643023_100000210951 [0,1,0,0,1,0|1,0,1]=4 4917 B14R1.33 CCCNC(=O)Cc1ccc(cc1)F 527a_100020643023_100000210951 [0,1,0,0,1,0|1,0,1]=4 4918 B14R1.33 CCCNC(=O)Cc1ccc(cc1)I 11a_100020643023_100000688869 [0,1,0,0,1,0|1,0,1]=4 4919 B14R1.33 CCCNC(=O)Cc1ccc(cc1)I 1626a_100020643023_100000688869 [0,1,0,0,1,0|1,0,1]=4 4920 B14R1.33 CCCNC(=O)Cc1ccc(cc1)I 240690a_100020643023_100000688869 [0,1,0,0,1,0|1,0,1]=4 4921 B14R1.33 CCCNC(=O)Cc1ccc(cc1)I 527a_100020643023_100000688869 [0,1,0,0,1,0|1,0,1]=4 4922 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O 1626a_100020643023_100000198540 [0,1,0,0,1,0|1,0,1]=4 4923 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O 240690a_100020643023_100000198540 [0,1,0,0,1,0|1,0,1]=4 4924 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O 271570a_203496583355_200000152284 [0,1,0,0,1,0|1,0,1]=4 4925 B14R1.33 CCCNC(=O)Cc1ccc(cc1)O 527a_100020643023_100000198540 [0,1,0,0,1,0|1,0,1]=4 4926 B14R1.33 CCCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100020643023 [0,1,0,0,1,0|2,0,0]=4 4927 B14R1.33 CCCNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100020643023 [0,1,0,0,1,0|2,0,0]=4 4928 B14R1.33 CCCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100020643023 [0,1,0,0,1,0|2,0,0]=4 4929 B14R1.33 CCCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100020643023 [0,1,0,0,1,0|2,0,0]=4 4930 B14R1.33 CCCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100020643023 [0,1,0,0,1,0|2,0,0]=4 4931 B14R1.33 CCCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100020643023 [0,1,0,0,1,0|2,0,0]=4 4932 B14R1.33 CCCNC(=O)Nc1ccc(cc1)O 271570a_203496583355_200000163292 [0,1,0,0,1,0|2,0,0]=4 4933 B14R1.33 Cc1ccc(cc1)CC(=O)CCCO 1458a_100000212244_100011215043 [0,1,0,0,1,0|1,0,1]=4 4934 B14R1.33 Cc1ccc(cc1)CC(=O)NCCF 11a_100000724931_100000212244 [0,1,0,0,1,0|1,0,1]=4 4935 B14R1.33 Cc1ccc(cc1)CC(=O)NCCF 240690a_100000724931_100000212244 [0,1,0,0,1,0|1,0,1]=4 4936 B14R1.33 Cc1ccc(cc1)CC(=O)NCCF 527a_100000724931_100000212244 [0,1,0,0,1,0|1,0,1]=4 4937 B14R1.33 Cc1ccc(cc1)CC(=O)NCCO 240690a_100000210304_100000212244 [0,1,0,0,1,0|0,0,1]=3 4938 B14R1.33 Cc1ccc(cc1)CC(=O)NCCO 527a_100000210304_100000212244 [0,1,0,0,1,0|0,0,1]=3 4939 B14R1.33 Cc1ccc(cc1)NC(=O)NCCF 2430a_100000124888_100000724931 [0,1,0,0,1,0|2,0,0]=4 4940 B14R1.33 Cc1ccc(cc1)NC(=O)NCCO 2430a_100000124888_100000210304 [0,1,0,0,1,0|1,0,0]=3 4941 B14R1.33 Cc1ccc(cn1)CC(=O)NCCO 240690a_100000210304_100000740413 [0,1,0,0,1,0|1,0,1]=4 4942 B14R1.33 Cc1ccc(cn1)CC(=O)NCCO 527a_100000210304_100000740413 [0,1,0,0,1,0|1,0,1]=4 4943 B14R1.33 Cc1ccc(nc1)CC(=O)NCCO 240690a_100000210304_100025705728 [0,1,0,0,1,0|1,0,1]=4 4944 B14R1.33 O=C(CCCO)Cc1ccc(cc1)Br 1458a_100000198978_100011215043 [0,1,0,0,1,0|1,0,1]=4 4945 B14R1.33 O=C(CCCO)Cc1ccc(cc1)Cl 1458a_100000211027_100011215043 [0,1,0,0,1,0|1,0,1]=4 4946 B14R1.33 O=C(CCCO)Cc1ccc(cc1)F 1458a_100000210951_100011215043 [0,1,0,0,1,0|1,0,1]=4 4947 B14R1.33 O=C(CCCO)Cc1ccc(cc1)I 1458a_100000688869_100011215043 [0,1,0,0,1,0|1,0,1]=4 4948 B14R1.33 O=C(CCCO)Cc1ccc(cc1)O 1458a_100000198540_100011215043 [0,1,0,0,1,0|1,0,1]=4 4949 B14R1.33 O=C(Cc1ccc(cc1)Br)NCCF 11a_100000724931_100000198978 [0,1,0,0,1,0|1,0,1]=4 4950 B14R1.33 O=C(Cc1ccc(cc1)Br)NCCF 240690a_100000724931_100000198978 [0,1,0,0,1,0|1,0,1]=4 4951 B14R1.33 O=C(Cc1ccc(cc1)Br)NCCF 527a_100000724931_100000198978 [0,1,0,0,1,0|1,0,1]=4 4952 B14R1.33 O=C(Cc1ccc(cc1)Br)NCCO 240690a_100000210304_100000198978 [0,1,0,0,1,0|0,0,1]=3 4953 B14R1.33 O=C(Cc1ccc(cc1)Br)NCCO 527a_100000210304_100000198978 [0,1,0,0,1,0|0,0,1]=3 4954 B14R1.33 O=C(Cc1ccc(cc1)Cl)NCCF 11a_100000724931_100000211027 [0,1,0,0,1,0|1,0,1]=4 4955 B14R1.33 O=C(Cc1ccc(cc1)Cl)NCCF 240690a_100000724931_100000211027 [0,1,0,0,1,0|1,0,1]=4 4956 B14R1.33 O=C(Cc1ccc(cc1)Cl)NCCF 527a_100000724931_100000211027 [0,1,0,0,1,0|1,0,1]=4 4957 B14R1.33 O=C(Cc1ccc(cc1)Cl)NCCO 240690a_100000210304_100000211027 [0,1,0,0,1,0|0,0,1]=3 4958 B14R1.33 O=C(Cc1ccc(cc1)Cl)NCCO 527a_100000210304_100000211027 [0,1,0,0,1,0|0,0,1]=3 4959 B14R1.33 O=C(Cc1ccc(cc1)F)NCCF 11a_100000724931_100000210951 [0,1,0,0,1,0|1,0,1]=4 4960 B14R1.33 O=C(Cc1ccc(cc1)F)NCCF 1626a_100000724931_100000210951 [0,1,0,0,1,0|1,0,1]=4 4961 B14R1.33 O=C(Cc1ccc(cc1)F)NCCF 240690a_100000724931_100000210951 [0,1,0,0,1,0|1,0,1]=4 4962 B14R1.33 O=C(Cc1ccc(cc1)F)NCCF 527a_100000724931_100000210951 [0,1,0,0,1,0|1,0,1]=4 4963 B14R1.33 O=C(Cc1ccc(cc1)F)NCCO 240690a_100000210304_100000210951 [0,1,0,0,1,0|0,0,1]=3 4964 B14R1.33 O=C(Cc1ccc(cc1)F)NCCO 527a_100000210304_100000210951 [0,1,0,0,1,0|0,0,1]=3 4965 B14R1.33 O=C(Cc1ccc(cc1)I)NCCF 11a_100000724931_100000688869 [0,1,0,0,1,0|1,0,1]=4 4966 B14R1.33 O=C(Cc1ccc(cc1)I)NCCF 1626a_100000724931_100000688869 [0,1,0,0,1,0|1,0,1]=4 4967 B14R1.33 O=C(Cc1ccc(cc1)I)NCCF 240690a_100000724931_100000688869 [0,1,0,0,1,0|1,0,1]=4 4968 B14R1.33 O=C(Cc1ccc(cc1)I)NCCF 527a_100000724931_100000688869 [0,1,0,0,1,0|1,0,1]=4 4969 B14R1.33 O=C(Cc1ccc(cc1)I)NCCO 240690a_100000210304_100000688869 [0,1,0,0,1,0|0,0,1]=3 4970 B14R1.33 O=C(Cc1ccc(cc1)I)NCCO 527a_100000210304_100000688869 [0,1,0,0,1,0|0,0,1]=3 4971 B14R1.33 O=C(Cc1ccc(cc1)O)NCCF 1626a_100000724931_100000198540 [0,1,0,0,1,0|1,0,1]=4 4972 B14R1.33 O=C(Cc1ccc(cc1)O)NCCF 240690a_100000724931_100000198540 [0,1,0,0,1,0|1,0,1]=4 4973 B14R1.33 O=C(Cc1ccc(cc1)O)NCCF 527a_100000724931_100000198540 [0,1,0,0,1,0|1,0,1]=4 4974 B14R1.33 O=C(Cc1ccc(cc1)O)NCCO 240690a_100000210304_100000198540 [0,1,0,0,1,0|0,0,1]=3 4975 B14R1.33 O=C(Cc1ccc(cc1)O)NCCO 527a_100000210304_100000198540 [0,1,0,0,1,0|0,0,1]=3 4976 B14R1.33 O=C(Cc1ccc(cn1)Br)NCCO 240690a_100000210304_100020629044 [0,1,0,0,1,0|1,0,1]=4 4977 B14R1.33 O=C(Cc1ccc(cn1)Cl)NCCO 240690a_100000210304_100000728320 [0,1,0,0,1,0|1,0,1]=4 4978 B14R1.33 O=C(Cc1ccc(cn1)Cl)NCCO 527a_100000210304_100000728320 [0,1,0,0,1,0|1,0,1]=4 4979 B14R1.33 O=C(Cc1ccc(nc1)Br)NCCO 240690a_100000210304_100010067268 [0,1,0,0,1,0|1,0,1]=4 4980 B14R1.33 O=C(Cc1ccc(nc1)Br)NCCO 527a_100000210304_100010067268 [0,1,0,0,1,0|1,0,1]=4 4981 B14R1.33 O=C(Cc1ccc(nc1)Cl)NCCO 240690a_100000210304_100000061944 [0,1,0,0,1,0|1,0,1]=4 4982 B14R1.33 O=C(Cc1ccc(nc1)Cl)NCCO 527a_100000210304_100000061944 [0,1,0,0,1,0|1,0,1]=4 4983 B14R1.33 O=C(Cn1ccc(=O)cc1)NCCO 240690a_100000210304_200000238563 [0,1,0,0,1,0|1,0,1]=4 4984 B14R1.33 O=C(Cn1ccc(=O)cc1)NCCO 527a_100000210304_200000238563 [0,1,0,0,1,0|1,0,1]=4 4985 B14R1.33 O=C(NCCF)Nc1ccc(cc1)Br 2430a_100000210018_100000724931 [0,1,0,0,1,0|2,0,0]=4 4986 B14R1.33 O=C(NCCF)Nc1ccc(cc1)Cl 2430a_100000210052_100000724931 [0,1,0,0,1,0|2,0,0]=4 4987 B14R1.33 O=C(NCCF)Nc1ccc(cc1)F 2430a_100000185862_100000724931 [0,1,0,0,1,0|2,0,0]=4 4988 B14R1.33 O=C(NCCF)Nc1ccc(cc1)I 2430a_100000185761_100000724931 [0,1,0,0,1,0|2,0,0]=4 4989 B14R1.33 O=C(NCCF)Nc1ccc(cc1)O 2430a_100000185829_100000724931 [0,1,0,0,1,0|2,0,0]=4 4990 B14R1.33 O=C(NCCO)Nc1ccc(cc1)Br 2430a_100000210018_100000210304 [0,1,0,0,1,0|1,0,0]=3 4991 B14R1.33 O=C(NCCO)Nc1ccc(cc1)Cl 2430a_100000210052_100000210304 [0,1,0,0,1,0|1,0,0]=3 4992 B14R1.33 O=C(NCCO)Nc1ccc(cc1)F 2430a_100000185862_100000210304 [0,1,0,0,1,0|1,0,0]=3 4993 B14R1.33 O=C(NCCO)Nc1ccc(cc1)I 2430a_100000185761_100000210304 [0,1,0,0,1,0|1,0,0]=3 4994 B14R1.33 O=C(NCCO)Nc1ccc(cc1)O 2430a_100000185829_100000210304 [0,1,0,0,1,0|1,0,0]=3 4995 B14R1.34 CCCNC(=O)Cc1cccc(c1)Br 11a_100020643023_100000747190 [0,1,0,0,1,0|1,0,1]=4 4996 B14R1.34 CCCNC(=O)Cc1cccc(c1)Br 240690a_100020643023_100000747190 [0,1,0,0,1,0|1,0,1]=4 4997 B14R1.34 CCCNC(=O)Cc1cccc(c1)Br 527a_100020643023_100000747190 [0,1,0,0,1,0|1,0,1]=4 4998 B14R1.34 CCCNC(=O)Cc1cccc(c1)C 11a_100020643023_100011206899 [0,1,0,0,1,0|1,0,1]=4 4999 B14R1.34 CCCNC(=O)Cc1cccc(c1)C 1626a_100020643023_100011206899 [0,1,0,0,1,0|1,0,1]=4 5000 B14R1.34 CCCNC(=O)Cc1cccc(c1)C 240690a_100020643023_100011206899 [0,1,0,0,1,0|1,0,1]=4 5001 B14R1.34 CCCNC(=O)Cc1cccc(c1)C 527a_100020643023_100011206899 [0,1,0,0,1,0|1,0,1]=4 5002 B14R1.34 CCCNC(=O)Cc1cccc(c1)Cl 11a_100020643023_100000749307 [0,1,0,0,1,0|1,0,1]=4 5003 B14R1.34 CCCNC(=O)Cc1cccc(c1)Cl 1626a_100020643023_100000749307 [0,1,0,0,1,0|1,0,1]=4 5004 B14R1.34 CCCNC(=O)Cc1cccc(c1)Cl 240690a_100020643023_100000749307 [0,1,0,0,1,0|1,0,1]=4 5005 B14R1.34 CCCNC(=O)Cc1cccc(c1)Cl 527a_100020643023_100000749307 [0,1,0,0,1,0|1,0,1]=4 5006 B14R1.34 CCCNC(=O)Cc1cccc(c1)F 11a_100020643023_100000211661 [0,1,0,0,1,0|1,0,1]=4 5007 B14R1.34 CCCNC(=O)Cc1cccc(c1)F 1626a_100020643023_100000211661 [0,1,0,0,1,0|1,0,1]=4 5008 B14R1.34 CCCNC(=O)Cc1cccc(c1)F 240690a_100020643023_100000211661 [0,1,0,0,1,0|1,0,1]=4 5009 B14R1.34 CCCNC(=O)Cc1cccc(c1)F 527a_100020643023_100000211661 [0,1,0,0,1,0|1,0,1]=4 5010 B14R1.34 CCCNC(=O)Cc1cccc(c1)I 11a_100020643023_100000238430 [0,1,0,0,1,0|1,0,1]=4 5011 B14R1.34 CCCNC(=O)Cc1cccc(c1)I 1626a_100020643023_100000238430 [0,1,0,0,1,0|1,0,1]=4 5012 B14R1.34 CCCNC(=O)Cc1cccc(c1)I 240690a_100020643023_100000238430 [0,1,0,0,1,0|1,0,1]=4 5013 B14R1.34 CCCNC(=O)Cc1cccc(c1)I 527a_100020643023_100000238430 [0,1,0,0,1,0|1,0,1]=4 5014 B14R1.34 CCCNC(=O)Cc1cccc(c1)O 240690a_100020643023_100000745134 [0,1,0,0,1,0|1,0,1]=4 5015 B14R1.34 CCCNC(=O)Cc1cccc(c1)O 527a_100020643023_100000745134 [0,1,0,0,1,0|1,0,1]=4 5016 B14R1.34 CCCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100020643023 [0,1,0,0,1,0|2,0,0]=4 5017 B14R1.34 CCCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100020643023 [0,1,0,0,1,0|2,0,0]=4 5018 B14R1.34 CCCNC(=O)Nc1cccc(c1)C 2430a_100000188690_100020643023 [0,1,0,0,1,0|2,0,0]=4 5019 B14R1.34 CCCNC(=O)Nc1cccc(c1)C 512a_100000188690_100020643023 [0,1,0,0,1,0|2,0,0]=4 5020 B14R1.34 CCCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100020643023 [0,1,0,0,1,0|2,0,0]=4 5021 B14R1.34 CCCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100020643023 [0,1,0,0,1,0|2,0,0]=4 5022 B14R1.34 CCCNC(=O)Nc1cccc(c1)F 512a_100000210047_100020643023 [0,1,0,0,1,0|2,0,0]=4 5023 B14R1.34 CCCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100020643023 [0,1,0,0,1,0|2,0,0]=4 5024 B14R1.34 CCCNC(=O)Nc1cccc(c1)I 512a_100000211102_100020643023 [0,1,0,0,1,0|2,0,0]=4 5025 B14R1.34 CCCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100020643023 [0,1,0,0,1,0|2,0,0]=4 5026 B14R1.34 CCCNC(=O)Nc1cccc(c1)O 512a_100000210217_100020643023 [0,1,0,0,1,0|2,0,0]=4 5027 B14R1.34 Cc1cccc(c1)CC(=O)CCCO 1458a_100011206899_100011215043 [0,1,0,0,1,0|1,0,1]=4 5028 B14R1.34 Cc1cccc(c1)CC(=O)NCCF 11a_100000724931_100011206899 [0,1,0,0,1,0|1,0,1]=4 5029 B14R1.34 Cc1cccc(c1)CC(=O)NCCF 1626a_100000724931_100011206899 [0,1,0,0,1,0|1,0,1]=4 5030 B14R1.34 Cc1cccc(c1)CC(=O)NCCF 240690a_100000724931_100011206899 [0,1,0,0,1,0|1,0,1]=4 5031 B14R1.34 Cc1cccc(c1)CC(=O)NCCF 527a_100000724931_100011206899 [0,1,0,0,1,0|1,0,1]=4 5032 B14R1.34 Cc1cccc(c1)CC(=O)NCCO 240690a_100000210304_100011206899 [0,1,0,0,1,0|0,0,1]=3 5033 B14R1.34 Cc1cccc(c1)CC(=O)NCCO 527a_100000210304_100011206899 [0,1,0,0,1,0|0,0,1]=3 5034 B14R1.34 Cc1cccc(c1)NC(=O)NCCF 2430a_100000188690_100000724931 [0,1,0,0,1,0|2,0,0]=4 5035 B14R1.34 Cc1cccc(c1)NC(=O)NCCF 512a_100000188690_100000724931 [0,1,0,0,1,0|2,0,0]=4 5036 B14R1.34 Cc1cccc(c1)NC(=O)NCCO 2430a_100000188690_100000210304 [0,1,0,0,1,0|1,0,0]=3 5037 B14R1.34 Cc1cccc(c1)NC(=O)NCCO 512a_100000188690_100000210304 [0,1,0,0,1,0|1,0,0]=3 5038 B14R1.34 Cc1cccc(n1)CC(=O)NCCO 240690a_100000210304_100012001110 [0,1,0,0,1,0|1,0,1]=4 5039 B14R1.34 Cc1cccc(n1)CC(=O)NCCO 527a_100000210304_100012001110 [0,1,0,0,1,0|1,0,1]=4 5040 B14R1.34 O=C(CCCO)Cc1cccc(c1)Br 1458a_100000747190_100011215043 [0,1,0,0,1,0|1,0,1]=4 5041 B14R1.34 O=C(CCCO)Cc1cccc(c1)Cl 1458a_100000749307_100011215043 [0,1,0,0,1,0|1,0,1]=4 5042 B14R1.34 O=C(CCCO)Cc1cccc(c1)F 1458a_100000211661_100011215043 [0,1,0,0,1,0|1,0,1]=4 5043 B14R1.34 O=C(CCCO)Cc1cccc(c1)I 1458a_100000238430_100011215043 [0,1,0,0,1,0|1,0,1]=4 5044 B14R1.34 O=C(CCCO)Cc1cccc(c1)O 1458a_100000745134_100011215043 [0,1,0,0,1,0|1,0,1]=4 5045 B14R1.34 O=C(Cc1cccc(c1)Br)NCCF 11a_100000724931_100000747190 [0,1,0,0,1,0|1,0,1]=4 5046 B14R1.34 O=C(Cc1cccc(c1)Br)NCCF 240690a_100000724931_100000747190 [0,1,0,0,1,0|1,0,1]=4 5047 B14R1.34 O=C(Cc1cccc(c1)Br)NCCF 527a_100000724931_100000747190 [0,1,0,0,1,0|1,0,1]=4 5048 B14R1.34 O=C(Cc1cccc(c1)Br)NCCO 240690a_100000210304_100000747190 [0,1,0,0,1,0|0,0,1]=3 5049 B14R1.34 O=C(Cc1cccc(c1)Br)NCCO 527a_100000210304_100000747190 [0,1,0,0,1,0|0,0,1]=3 5050 B14R1.34 O=C(Cc1cccc(c1)Cl)NCCF 11a_100000724931_100000749307 [0,1,0,0,1,0|1,0,1]=4 5051 B14R1.34 O=C(Cc1cccc(c1)Cl)NCCF 1626a_100000724931_100000749307 [0,1,0,0,1,0|1,0,1]=4 5052 B14R1.34 O=C(Cc1cccc(c1)Cl)NCCF 240690a_100000724931_100000749307 [0,1,0,0,1,0|1,0,1]=4 5053 B14R1.34 O=C(Cc1cccc(c1)Cl)NCCF 527a_100000724931_100000749307 [0,1,0,0,1,0|1,0,1]=4 5054 B14R1.34 O=C(Cc1cccc(c1)Cl)NCCO 240690a_100000210304_100000749307 [0,1,0,0,1,0|0,0,1]=3 5055 B14R1.34 O=C(Cc1cccc(c1)Cl)NCCO 527a_100000210304_100000749307 [0,1,0,0,1,0|0,0,1]=3 5056 B14R1.34 O=C(Cc1cccc(c1)F)NCCF 11a_100000724931_100000211661 [0,1,0,0,1,0|1,0,1]=4 5057 B14R1.34 O=C(Cc1cccc(c1)F)NCCF 1626a_100000724931_100000211661 [0,1,0,0,1,0|1,0,1]=4 5058 B14R1.34 O=C(Cc1cccc(c1)F)NCCF 240690a_100000724931_100000211661 [0,1,0,0,1,0|1,0,1]=4 5059 B14R1.34 O=C(Cc1cccc(c1)F)NCCF 527a_100000724931_100000211661 [0,1,0,0,1,0|1,0,1]=4 5060 B14R1.34 O=C(Cc1cccc(c1)F)NCCO 240690a_100000210304_100000211661 [0,1,0,0,1,0|0,0,1]=3 5061 B14R1.34 O=C(Cc1cccc(c1)F)NCCO 527a_100000210304_100000211661 [0,1,0,0,1,0|0,0,1]=3 5062 B14R1.34 O=C(Cc1cccc(c1)I)NCCF 11a_100000724931_100000238430 [0,1,0,0,1,0|1,0,1]=4 5063 B14R1.34 O=C(Cc1cccc(c1)I)NCCF 1626a_100000724931_100000238430 [0,1,0,0,1,0|1,0,1]=4 5064 B14R1.34 O=C(Cc1cccc(c1)I)NCCF 240690a_100000724931_100000238430 [0,1,0,0,1,0|1,0,1]=4 5065 B14R1.34 O=C(Cc1cccc(c1)I)NCCF 527a_100000724931_100000238430 [0,1,0,0,1,0|1,0,1]=4 5066 B14R1.34 O=C(Cc1cccc(c1)I)NCCO 240690a_100000210304_100000238430 [0,1,0,0,1,0|0,0,1]=3 5067 B14R1.34 O=C(Cc1cccc(c1)I)NCCO 527a_100000210304_100000238430 [0,1,0,0,1,0|0,0,1]=3 5068 B14R1.34 O=C(Cc1cccc(c1)O)NCCF 240690a_100000724931_100000745134 [0,1,0,0,1,0|1,0,1]=4 5069 B14R1.34 O=C(Cc1cccc(c1)O)NCCF 527a_100000724931_100000745134 [0,1,0,0,1,0|1,0,1]=4 5070 B14R1.34 O=C(Cc1cccc(c1)O)NCCO 240690a_100000210304_100000745134 [0,1,0,0,1,0|0,0,1]=3 5071 B14R1.34 O=C(Cc1cccc(c1)O)NCCO 527a_100000210304_100000745134 [0,1,0,0,1,0|0,0,1]=3 5072 B14R1.34 O=C(Cc1cccc(n1)Br)NCCO 240690a_100000210304_100010201708 [0,1,0,0,1,0|1,0,1]=4 5073 B14R1.34 O=C(Cc1cccc(n1)Br)NCCO 527a_100000210304_100010201708 [0,1,0,0,1,0|1,0,1]=4 5074 B14R1.34 O=C(Cc1cccc(n1)Cl)NCCO 240690a_100000210304_100000090259 [0,1,0,0,1,0|1,0,1]=4 5075 B14R1.34 O=C(Cc1cccc(n1)F)NCCO 240690a_100000210304_100000096803 [0,1,0,0,1,0|1,0,1]=4 5076 B14R1.34 O=C(Cc1ccnc(c1)Br)NCCO 240690a_100000210304_100010126891 [0,1,0,0,1,0|1,0,1]=4 5077 B14R1.34 O=C(Cc1ccnc(c1)Br)NCCO 527a_100000210304_100010126891 [0,1,0,0,1,0|1,0,1]=4 5078 B14R1.34 O=C(Cc1ccnc(c1)Cl)NCCO 240690a_100000210304_100000085289 [0,1,0,0,1,0|1,0,1]=4 5079 B14R1.34 O=C(Cc1ccnc(c1)Cl)NCCO 527a_100000210304_100000085289 [0,1,0,0,1,0|1,0,1]=4 5080 B14R1.34 O=C(Cc1cncc(c1)Br)NCCO 240690a_100000210304_100000239331 [0,1,0,0,1,0|1,0,1]=4 5081 B14R1.34 O=C(Cc1cncc(c1)Br)NCCO 527a_100000210304_100000239331 [0,1,0,0,1,0|1,0,1]=4 5082 B14R1.34 O=C(Cc1cncc(c1)F)NCCO 240690a_100000210304_100011667516 [0,1,0,0,1,0|1,0,1]=4 5083 B14R1.34 O=C(Cc1cncc(c1)F)NCCO 527a_100000210304_100011667516 [0,1,0,0,1,0|1,0,1]=4 5084 B14R1.34 O=C(NCCF)Nc1cccc(c1)Br 2430a_100000210019_100000724931 [0,1,0,0,1,0|2,0,0]=4 5085 B14R1.34 O=C(NCCF)Nc1cccc(c1)Br 512a_100000210019_100000724931 [0,1,0,0,1,0|2,0,0]=4 5086 B14R1.34 O=C(NCCF)Nc1cccc(c1)Cl 2430a_100000185859_100000724931 [0,1,0,0,1,0|2,0,0]=4 5087 B14R1.34 O=C(NCCF)Nc1cccc(c1)F 2430a_100000210047_100000724931 [0,1,0,0,1,0|2,0,0]=4 5088 B14R1.34 O=C(NCCF)Nc1cccc(c1)F 512a_100000210047_100000724931 [0,1,0,0,1,0|2,0,0]=4 5089 B14R1.34 O=C(NCCF)Nc1cccc(c1)I 2430a_100000211102_100000724931 [0,1,0,0,1,0|2,0,0]=4 5090 B14R1.34 O=C(NCCF)Nc1cccc(c1)I 512a_100000211102_100000724931 [0,1,0,0,1,0|2,0,0]=4 5091 B14R1.34 O=C(NCCF)Nc1cccc(c1)O 2430a_100000210217_100000724931 [0,1,0,0,1,0|2,0,0]=4 5092 B14R1.34 O=C(NCCF)Nc1cccc(c1)O 512a_100000210217_100000724931 [0,1,0,0,1,0|2,0,0]=4 5093 B14R1.34 O=C(NCCO)Nc1cccc(c1)Br 2430a_100000210019_100000210304 [0,1,0,0,1,0|1,0,0]=3 5094 B14R1.34 O=C(NCCO)Nc1cccc(c1)Br 512a_100000210019_100000210304 [0,1,0,0,1,0|1,0,0]=3 5095 B14R1.34 O=C(NCCO)Nc1cccc(c1)Cl 2430a_100000185859_100000210304 [0,1,0,0,1,0|1,0,0]=3 5096 B14R1.34 O=C(NCCO)Nc1cccc(c1)F 2430a_100000210047_100000210304 [0,1,0,0,1,0|1,0,0]=3 5097 B14R1.34 O=C(NCCO)Nc1cccc(c1)F 512a_100000210047_100000210304 [0,1,0,0,1,0|1,0,0]=3 5098 B14R1.34 O=C(NCCO)Nc1cccc(c1)I 2430a_100000211102_100000210304 [0,1,0,0,1,0|1,0,0]=3 5099 B14R1.34 O=C(NCCO)Nc1cccc(c1)I 512a_100000211102_100000210304 [0,1,0,0,1,0|1,0,0]=3 5100 B14R1.34 O=C(NCCO)Nc1cccc(c1)O 2430a_100000210217_100000210304 [0,1,0,0,1,0|1,0,0]=3 5101 B14R1.34 O=C(NCCO)Nc1cccc(c1)O 512a_100000210217_100000210304 [0,1,0,0,1,0|1,0,0]=3 5102 B14R1.166 C#CCNC(=O)C(=C)c1ccccc1 1626a_100000212058_100000065200 [0,1,0,0,1,0|1,0,1]=4 5103 B14R1.166 C=C(C(=O)CCCC)c1ccccc1 1458a_100000065200_100000210211 [0,1,0,0,1,0|2,0,0]=4 5104 B14R1.166 C=C(C(=O)CCCF)c1ccccc1 1458a_100000065200_100011934791 [0,1,0,0,1,0|2,0,0]=4 5105 B14R1.166 C=C(C(=O)CCCO)c1ccccc1 1458a_100000065200_100011215043 [0,1,0,0,1,0|1,0,0]=3 5106 B14R1.166 C=C(C(=O)NCC#N)c1ccccc1 1626a_100000734998_100000065200 [0,1,0,0,1,0|1,0,1]=4 5107 B14R1.166 C=C(C(=O)NCCC)c1ccccc1 1626a_100020643023_100000065200 [0,1,0,0,1,0|1,0,0]=3 5108 B14R1.166 C=C(C(=O)NCCF)c1ccccc1 1626a_100000724931_100000065200 [0,1,0,0,1,0|1,0,0]=3 5109 B14R1.166 C=C(C(=O)NNCC)c1ccccc1 22a_100000756455_100000065200 [0,1,0,0,1,0|2,0,0]=4 5110 B14R1.166 C=CCNC(=O)C(=C)c1ccccc1 1626a_100020586998_100000065200 [0,1,0,0,1,0|1,0,1]=4 5111 B14R1.166 CC(C(=O)NCCO)c1ccccn1 240690a_100000210304_100000722050 [0,1,0,0,1,0|1,0,1]=4 5112 B14R1.166 CC(C(=O)NCCO)c1ccccn1 527a_100000210304_100000722050 [0,1,0,0,1,0|1,0,1]=4 5113 B14R1.166 CC(NCCO)C(=O)c1ccccc1 2230a_100016997473_100000239700 [0,1,0,0,1,0|1,0,1]=4 5114 B14R1.166 CCCNC(=O)C(F)c1ccccc1 11a_100020643023_100000698975 [0,1,0,0,1,0|1,0,1]=4 5115 B14R1.166 CCCNC(=O)C(F)c1ccccc1 1626a_100020643023_100000698975 [0,1,0,0,1,0|1,0,1]=4 5116 B14R1.166 CCCNC(=O)C(F)c1ccccc1 240690a_100020643023_100000698975 [0,1,0,0,1,0|1,0,1]=4 5117 B14R1.166 CCCNC(=O)C(F)c1ccccc1 527a_100020643023_100000698975 [0,1,0,0,1,0|1,0,1]=4 5118 B14R1.166 CCCNC(=O)N(C)c1ccccc1 512a_100020643023_100000210012 [0,1,0,0,1,0|2,0,0]=4 5119 B14R1.166 CCCNC(=O)[C@@H](C)c1ccccc1 11a_100020643023_100000751047 [0,1,0,0,1,0|1,0,1]=4 5120 B14R1.166 CCCNC(=O)[C@@H](C)c1ccccc1 1626a_100020643023_100000751047 [0,1,0,0,1,0|1,0,1]=4 5121 B14R1.166 CCCNC(=O)[C@@H](C)c1ccccc1 240690a_100020643023_100000751047 [0,1,0,0,1,0|1,0,1]=4 5122 B14R1.166 CCCNC(=O)[C@@H](C)c1ccccc1 527a_100020643023_100000751047 [0,1,0,0,1,0|1,0,1]=4 5123 B14R1.166 CCCNC(=O)[C@H](O)c1ccccc1 240690a_100020643023_100000684486 [0,1,0,0,1,0|1,0,1]=4 5124 B14R1.166 C[C@H](C(=O)CCCO)c1ccccc1 1458a_100000751047_100011215043 [0,1,0,0,1,0|1,0,1]=4 5125 B14R1.166 C[C@H](C(=O)NCCF)c1ccccc1 11a_100000724931_100000751047 [0,1,0,0,1,0|1,0,1]=4 5126 B14R1.166 C[C@H](C(=O)NCCF)c1ccccc1 1626a_100000724931_100000751047 [0,1,0,0,1,0|1,0,1]=4 5127 B14R1.166 C[C@H](C(=O)NCCF)c1ccccc1 240690a_100000724931_100000751047 [0,1,0,0,1,0|1,0,1]=4 5128 B14R1.166 C[C@H](C(=O)NCCF)c1ccccc1 527a_100000724931_100000751047 [0,1,0,0,1,0|1,0,1]=4 5129 B14R1.166 C[C@H](C(=O)NCCO)c1ccccc1 240690a_100000210304_100000751047 [0,1,0,0,1,0|0,0,1]=3 5130 B14R1.166 C[C@H](C(=O)NCCO)c1ccccc1 527a_100000210304_100000751047 [0,1,0,0,1,0|0,0,1]=3 5131 B14R1.166 O=C(CCCO)C(F)c1ccccc1 1458a_100000698975_100011215043 [0,1,0,0,1,0|1,0,1]=4 5132 B14R1.166 O=C(CCCO)[C@H](O)c1ccccc1 1458a_100000684486_100011215043 [0,1,0,0,1,0|1,0,1]=4 5133 B14R1.166 O=C(NCCF)C(F)c1ccccc1 11a_100000724931_100000698975 [0,1,0,0,1,0|1,0,1]=4 5134 B14R1.166 O=C(NCCF)C(F)c1ccccc1 1626a_100000724931_100000698975 [0,1,0,0,1,0|1,0,1]=4 5135 B14R1.166 O=C(NCCF)C(F)c1ccccc1 240690a_100000724931_100000698975 [0,1,0,0,1,0|1,0,1]=4 5136 B14R1.166 O=C(NCCF)C(F)c1ccccc1 527a_100000724931_100000698975 [0,1,0,0,1,0|1,0,1]=4 5137 B14R1.166 O=C(NCCF)[C@H](O)c1ccccc1 240690a_100000724931_100000684486 [0,1,0,0,1,0|1,0,1]=4 5138 B14R1.166 O=C(NCCO)C(F)c1ccccc1 240690a_100000210304_100000698975 [0,1,0,0,1,0|0,0,1]=3 5139 B14R1.166 O=C(NCCO)C(F)c1ccccc1 527a_100000210304_100000698975 [0,1,0,0,1,0|0,0,1]=3 5140 B14R1.166 O=C(NCCO)[C@H](O)c1ccccc1 240690a_100000210304_100000684486 [0,1,0,0,1,0|0,0,1]=3 5141 B14R1.423 CC(C)CNC(=O)Nc1ccccc1 2430a_100000106764_100000210953 [0,1,0,0,1,0|2,0,0]=4 5142 B14R1.423 CC(O)CCC(=O)Nc1ccccc1 1626a_100000106764_100000718519 [0,1,0,0,1,0|2,0,0]=4 5143 B14R1.423 CC(O)CNC(=O)C[n+]1ccccc1 11a_100000210904_200000086051 [0,1,0,0,1,0|1,0,1]=4 5144 B14R1.423 CC(O)CNC(=O)C[n+]1ccccc1 240690a_100000210904_200000086051 [0,1,0,0,1,0|1,0,1]=4 5145 B14R1.423 CC(O)CNC(=O)C[n+]1ccccc1 527a_100000210904_200000086051 [0,1,0,0,1,0|1,0,1]=4 5146 B14R1.423 CC(O)CNC(=O)Cc1ccccn1 11a_100000210904_100000233486 [0,1,0,0,1,0|1,0,1]=4 5147 B14R1.423 CC(O)CNC(=O)Cc1cccnc1 11a_100000210904_100000737805 [0,1,0,0,1,0|1,0,1]=4 5148 B14R1.423 CC(O)CNC(=O)Cc1cccnc1 240690a_100000210904_100000737805 [0,1,0,0,1,0|1,0,1]=4 5149 B14R1.423 CC(O)CNC(=O)Cc1cccnc1 527a_100000210904_100000737805 [0,1,0,0,1,0|1,0,1]=4 5150 B14R1.423 CC(O)CNC(=O)Cc1ccncc1 11a_100000210904_100011201483 [0,1,0,0,1,0|1,0,1]=4 5151 B14R1.423 CC(O)CNC(=O)Cc1ccncc1 240690a_100000210904_100011201483 [0,1,0,0,1,0|1,0,1]=4 5152 B14R1.423 CC(O)CNC(=O)Nc1ccccc1 2430a_100000106764_100000210904 [0,1,0,0,1,0|1,0,0]=3 5153 B14R1.423 O=C(NCC(F)F)Nc1ccccc1 2430a_100000106764_100000765723 [0,1,0,0,1,0|2,0,0]=4 5154 B14R1.743 CCC(C)NC(=O)Nc1ccccc1 2430a_100000106764_100000209981 [0,1,0,0,1,0|2,0,0]=4 5155 B14R1.743 C[C@H](CF)NC(=O)Nc1ccccc1 2430a_100000106764_100102880703 [0,1,0,0,1,0|2,0,0]=4 5156 B14R1.743 C[C@H](CO)NC(=O)C[n+]1ccccc1 240690a_100000737577_200000086051 [0,1,0,0,1,0|1,0,1]=4 5157 B14R1.743 C[C@H](CO)NC(=O)C[n+]1ccccc1 527a_100000737577_200000086051 [0,1,0,0,1,0|1,0,1]=4 5158 B14R1.743 C[C@H](CO)NC(=O)Cc1cccnc1 240690a_100000737577_100000737805 [0,1,0,0,1,0|1,0,1]=4 5159 B14R1.743 C[C@H](CO)NC(=O)Cc1cccnc1 527a_100000737577_100000737805 [0,1,0,0,1,0|1,0,1]=4 5160 B14R1.743 C[C@H](CO)NC(=O)Cc1ccncc1 240690a_100000737577_100011201483 [0,1,0,0,1,0|1,0,1]=4 5161 B14R1.743 C[C@H](CO)NC(=O)Nc1ccccc1 2430a_100000106764_100000737577 [0,1,0,0,1,0|1,0,0]=3 5162 B14R1.946 CCCNC(=O)Cc1ccccc1Br 11a_100020643023_100000751119 [0,1,0,0,1,0|1,0,1]=4 5163 B14R1.946 CCCNC(=O)Cc1ccccc1Br 240690a_100020643023_100000751119 [0,1,0,0,1,0|1,0,1]=4 5164 B14R1.946 CCCNC(=O)Cc1ccccc1Br 527a_100020643023_100000751119 [0,1,0,0,1,0|1,0,1]=4 5165 B14R1.946 CCCNC(=O)Cc1ccccc1C 11a_100020643023_100000212180 [0,1,0,0,1,0|1,0,1]=4 5166 B14R1.946 CCCNC(=O)Cc1ccccc1C 1626a_100020643023_100000212180 [0,1,0,0,1,0|1,0,1]=4 5167 B14R1.946 CCCNC(=O)Cc1ccccc1C 240690a_100020643023_100000212180 [0,1,0,0,1,0|1,0,1]=4 5168 B14R1.946 CCCNC(=O)Cc1ccccc1C 527a_100020643023_100000212180 [0,1,0,0,1,0|1,0,1]=4 5169 B14R1.946 CCCNC(=O)Cc1ccccc1Cl 11a_100020643023_100000183793 [0,1,0,0,1,0|1,0,1]=4 5170 B14R1.946 CCCNC(=O)Cc1ccccc1Cl 1626a_100020643023_100000183793 [0,1,0,0,1,0|1,0,1]=4 5171 B14R1.946 CCCNC(=O)Cc1ccccc1Cl 240690a_100020643023_100000183793 [0,1,0,0,1,0|1,0,1]=4 5172 B14R1.946 CCCNC(=O)Cc1ccccc1Cl 527a_100020643023_100000183793 [0,1,0,0,1,0|1,0,1]=4 5173 B14R1.946 CCCNC(=O)Cc1ccccc1F 11a_100020643023_100000212012 [0,1,0,0,1,0|1,0,1]=4 5174 B14R1.946 CCCNC(=O)Cc1ccccc1F 1626a_100020643023_100000212012 [0,1,0,0,1,0|1,0,1]=4 5175 B14R1.946 CCCNC(=O)Cc1ccccc1F 240690a_100020643023_100000212012 [0,1,0,0,1,0|1,0,1]=4 5176 B14R1.946 CCCNC(=O)Cc1ccccc1F 527a_100020643023_100000212012 [0,1,0,0,1,0|1,0,1]=4 5177 B14R1.946 CCCNC(=O)Cc1ccccc1I 11a_100020643023_100000036491 [0,1,0,0,1,0|1,0,1]=4 5178 B14R1.946 CCCNC(=O)Cc1ccccc1I 1626a_100020643023_100000036491 [0,1,0,0,1,0|1,0,1]=4 5179 B14R1.946 CCCNC(=O)Cc1ccccc1I 240690a_100020643023_100000036491 [0,1,0,0,1,0|1,0,1]=4 5180 B14R1.946 CCCNC(=O)Cc1ccccc1I 527a_100020643023_100000036491 [0,1,0,0,1,0|1,0,1]=4 5181 B14R1.946 CCCNC(=O)Cc1ccccc1O 240690a_100020643023_100000743006 [0,1,0,0,1,0|1,0,1]=4 5182 B14R1.946 CCCNC(=O)Cc1ccccc1O 527a_100020643023_100000743006 [0,1,0,0,1,0|1,0,1]=4 5183 B14R1.946 CCCNC(=O)Nc1ccccc1Br 2430a_100000210017_100020643023 [0,1,0,0,1,0|2,0,0]=4 5184 B14R1.946 CCCNC(=O)Nc1ccccc1C 2430a_100015192222_100020643023 [0,1,0,0,1,0|2,0,0]=4 5185 B14R1.946 CCCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100020643023 [0,1,0,0,1,0|2,0,0]=4 5186 B14R1.946 CCCNC(=O)Nc1ccccc1F 2430a_100000210422_100020643023 [0,1,0,0,1,0|2,0,0]=4 5187 B14R1.946 CCCNC(=O)Nc1ccccc1I 2430a_100000210053_100020643023 [0,1,0,0,1,0|2,0,0]=4 5188 B14R1.946 CCCNC(=O)Nc1ccccc1O 2430a_100000185747_100020643023 [0,1,0,0,1,0|2,0,0]=4 5189 B14R1.946 Cc1ccccc1CC(=O)CCCO 1458a_100000212180_100011215043 [0,1,0,0,1,0|1,0,1]=4 5190 B14R1.946 Cc1ccccc1CC(=O)NCCF 11a_100000724931_100000212180 [0,1,0,0,1,0|1,0,1]=4 5191 B14R1.946 Cc1ccccc1CC(=O)NCCF 1626a_100000724931_100000212180 [0,1,0,0,1,0|1,0,1]=4 5192 B14R1.946 Cc1ccccc1CC(=O)NCCF 240690a_100000724931_100000212180 [0,1,0,0,1,0|1,0,1]=4 5193 B14R1.946 Cc1ccccc1CC(=O)NCCF 527a_100000724931_100000212180 [0,1,0,0,1,0|1,0,1]=4 5194 B14R1.946 Cc1ccccc1CC(=O)NCCO 240690a_100000210304_100000212180 [0,1,0,0,1,0|0,0,1]=3 5195 B14R1.946 Cc1ccccc1CC(=O)NCCO 527a_100000210304_100000212180 [0,1,0,0,1,0|0,0,1]=3 5196 B14R1.946 Cc1ccccc1NC(=O)NCCF 2430a_100015192222_100000724931 [0,1,0,0,1,0|2,0,0]=4 5197 B14R1.946 Cc1ccccc1NC(=O)NCCO 2430a_100015192222_100000210304 [0,1,0,0,1,0|1,0,0]=3 5198 B14R1.946 Cc1cccnc1CC(=O)NCCO 240690a_100000210304_200000722269 [0,1,0,0,1,0|1,0,1]=4 5199 B14R1.946 O=C(CCCO)Cc1ccccc1Br 1458a_100000751119_100011215043 [0,1,0,0,1,0|1,0,1]=4 5200 B14R1.946 O=C(CCCO)Cc1ccccc1Cl 1458a_100000183793_100011215043 [0,1,0,0,1,0|1,0,1]=4 5201 B14R1.946 O=C(CCCO)Cc1ccccc1F 1458a_100000212012_100011215043 [0,1,0,0,1,0|1,0,1]=4 5202 B14R1.946 O=C(CCCO)Cc1ccccc1I 1458a_100000036491_100011215043 [0,1,0,0,1,0|1,0,1]=4 5203 B14R1.946 O=C(CCCO)Cc1ccccc1O 1458a_100000743006_100011215043 [0,1,0,0,1,0|1,0,1]=4 5204 B14R1.946 O=C(Cc1ccccc1Br)NCCF 11a_100000724931_100000751119 [0,1,0,0,1,0|1,0,1]=4 5205 B14R1.946 O=C(Cc1ccccc1Br)NCCF 240690a_100000724931_100000751119 [0,1,0,0,1,0|1,0,1]=4 5206 B14R1.946 O=C(Cc1ccccc1Br)NCCF 527a_100000724931_100000751119 [0,1,0,0,1,0|1,0,1]=4 5207 B14R1.946 O=C(Cc1ccccc1Br)NCCO 240690a_100000210304_100000751119 [0,1,0,0,1,0|0,0,1]=3 5208 B14R1.946 O=C(Cc1ccccc1Br)NCCO 527a_100000210304_100000751119 [0,1,0,0,1,0|0,0,1]=3 5209 B14R1.946 O=C(Cc1ccccc1Cl)NCCF 11a_100000724931_100000183793 [0,1,0,0,1,0|1,0,1]=4 5210 B14R1.946 O=C(Cc1ccccc1Cl)NCCF 1626a_100000724931_100000183793 [0,1,0,0,1,0|1,0,1]=4 5211 B14R1.946 O=C(Cc1ccccc1Cl)NCCF 240690a_100000724931_100000183793 [0,1,0,0,1,0|1,0,1]=4 5212 B14R1.946 O=C(Cc1ccccc1Cl)NCCF 527a_100000724931_100000183793 [0,1,0,0,1,0|1,0,1]=4 5213 B14R1.946 O=C(Cc1ccccc1Cl)NCCO 240690a_100000210304_100000183793 [0,1,0,0,1,0|0,0,1]=3 5214 B14R1.946 O=C(Cc1ccccc1Cl)NCCO 527a_100000210304_100000183793 [0,1,0,0,1,0|0,0,1]=3 5215 B14R1.946 O=C(Cc1ccccc1F)NCCF 11a_100000724931_100000212012 [0,1,0,0,1,0|1,0,1]=4 5216 B14R1.946 O=C(Cc1ccccc1F)NCCF 1626a_100000724931_100000212012 [0,1,0,0,1,0|1,0,1]=4 5217 B14R1.946 O=C(Cc1ccccc1F)NCCF 240690a_100000724931_100000212012 [0,1,0,0,1,0|1,0,1]=4 5218 B14R1.946 O=C(Cc1ccccc1F)NCCF 527a_100000724931_100000212012 [0,1,0,0,1,0|1,0,1]=4 5219 B14R1.946 O=C(Cc1ccccc1F)NCCO 240690a_100000210304_100000212012 [0,1,0,0,1,0|0,0,1]=3 5220 B14R1.946 O=C(Cc1ccccc1F)NCCO 527a_100000210304_100000212012 [0,1,0,0,1,0|0,0,1]=3 5221 B14R1.946 O=C(Cc1ccccc1I)NCCF 11a_100000724931_100000036491 [0,1,0,0,1,0|1,0,1]=4 5222 B14R1.946 O=C(Cc1ccccc1I)NCCF 1626a_100000724931_100000036491 [0,1,0,0,1,0|1,0,1]=4 5223 B14R1.946 O=C(Cc1ccccc1I)NCCF 240690a_100000724931_100000036491 [0,1,0,0,1,0|1,0,1]=4 5224 B14R1.946 O=C(Cc1ccccc1I)NCCF 527a_100000724931_100000036491 [0,1,0,0,1,0|1,0,1]=4 5225 B14R1.946 O=C(Cc1ccccc1I)NCCO 240690a_100000210304_100000036491 [0,1,0,0,1,0|0,0,1]=3 5226 B14R1.946 O=C(Cc1ccccc1I)NCCO 527a_100000210304_100000036491 [0,1,0,0,1,0|0,0,1]=3 5227 B14R1.946 O=C(Cc1ccccc1O)NCCF 240690a_100000724931_100000743006 [0,1,0,0,1,0|1,0,1]=4 5228 B14R1.946 O=C(Cc1ccccc1O)NCCF 527a_100000724931_100000743006 [0,1,0,0,1,0|1,0,1]=4 5229 B14R1.946 O=C(Cc1ccccc1O)NCCO 240690a_100000210304_100000743006 [0,1,0,0,1,0|0,0,1]=3 5230 B14R1.946 O=C(Cc1ccccc1O)NCCO 527a_100000210304_100000743006 [0,1,0,0,1,0|0,0,1]=3 5231 B14R1.946 O=C(Cc1cccnc1Cl)NCCO 240690a_100000210304_100000093521 [0,1,0,0,1,0|1,0,1]=4 5232 B14R1.946 O=C(Cc1cccnc1Cl)NCCO 527a_100000210304_100000093521 [0,1,0,0,1,0|1,0,1]=4 5233 B14R1.946 O=C(Cc1ncccc1Br)NCCO 240690a_100000210304_200012357574 [0,1,0,0,1,0|1,0,1]=4 5234 B14R1.946 O=C(Cc1ncccc1Cl)NCCO 240690a_100000210304_100011998755 [0,1,0,0,1,0|1,0,1]=4 5235 B14R1.946 O=C(Cc1ncccc1Cl)NCCO 527a_100000210304_100011998755 [0,1,0,0,1,0|1,0,1]=4 5236 B14R1.946 O=C(Cn1ccccc1=O)NCCO 240690a_100000210304_100000189665 [0,1,0,0,1,0|1,0,1]=4 5237 B14R1.946 O=C(Cn1ccccc1=O)NCCO 527a_100000210304_100000189665 [0,1,0,0,1,0|1,0,1]=4 5238 B14R1.946 O=C(NCCF)Nc1ccccc1Br 2430a_100000210017_100000724931 [0,1,0,0,1,0|2,0,0]=4 5239 B14R1.946 O=C(NCCF)Nc1ccccc1Cl 2430a_100000185783_100000724931 [0,1,0,0,1,0|2,0,0]=4 5240 B14R1.946 O=C(NCCF)Nc1ccccc1F 2430a_100000210422_100000724931 [0,1,0,0,1,0|2,0,0]=4 5241 B14R1.946 O=C(NCCF)Nc1ccccc1I 2430a_100000210053_100000724931 [0,1,0,0,1,0|2,0,0]=4 5242 B14R1.946 O=C(NCCF)Nc1ccccc1O 2430a_100000185747_100000724931 [0,1,0,0,1,0|2,0,0]=4 5243 B14R1.946 O=C(NCCO)Nc1ccccc1Br 2430a_100000210017_100000210304 [0,1,0,0,1,0|1,0,0]=3 5244 B14R1.946 O=C(NCCO)Nc1ccccc1Cl 2430a_100000185783_100000210304 [0,1,0,0,1,0|1,0,0]=3 5245 B14R1.946 O=C(NCCO)Nc1ccccc1F 2430a_100000210422_100000210304 [0,1,0,0,1,0|1,0,0]=3 5246 B14R1.946 O=C(NCCO)Nc1ccccc1I 2430a_100000210053_100000210304 [0,1,0,0,1,0|1,0,0]=3 5247 B14R1.946 O=C(NCCO)Nc1ccccc1O 2430a_100000185747_100000210304 [0,1,0,0,1,0|1,0,0]=3 5248 B14R1.4528 O=S(=O)(Cc1ccccc1)NCCO 270084a_100000210304_100000211737 [0,1,0,0,1,0|1,0,1]=4 5249 B14R1.4528 O=S(=O)(Cc1ccccc1)NCCO 274078a_100000210304_100000211737 [0,1,0,0,1,0|1,0,1]=4 5250 B14R1.4528 O=S(=O)(Cc1ccccc1)NCCO 40a_100000210304_100000235865 [0,1,0,0,1,0|1,0,1]=4 5251 B14R1.86 C#CCCNC(=O)C=Cc1cccs1 11a_100000755551_100000182767 [0,1,0,0,1,0|2,0,0]=4 5252 B14R1.86 C#CCCNC(=O)C=Cc1cccs1 1626a_100000755551_100000182767 [0,1,0,0,1,0|2,0,0]=4 5253 B14R1.86 C#CCCNC(=O)C=Cc1cccs1 240690a_100000755551_100000182767 [0,1,0,0,1,0|2,0,0]=4 5254 B14R1.86 C#CCCNC(=O)C=Cc1ccoc1 11a_100000755551_100000238621 [0,1,0,0,1,0|2,0,0]=4 5255 B14R1.86 C#CCCNC(=O)C=Cc1ccoc1 1626a_100000755551_100000238621 [0,1,0,0,1,0|2,0,0]=4 5256 B14R1.86 C#CCCNC(=O)C=Cc1ccoc1 240690a_100000755551_100000238621 [0,1,0,0,1,0|2,0,0]=4 5257 B14R1.86 C#CCCNC(=O)C=Cc1ccsc1 11a_100000755551_100000698588 [0,1,0,0,1,0|2,0,0]=4 5258 B14R1.86 C#CCCNC(=O)C=Cc1ccsc1 1626a_100000755551_100000698588 [0,1,0,0,1,0|2,0,0]=4 5259 B14R1.86 C#CCCNC(=O)C=Cc1ccsc1 240690a_100000755551_100000698588 [0,1,0,0,1,0|2,0,0]=4 5260 B14R1.86 C#CCCNC(=O)C=Cc1ccsc1 527a_100000755551_100000698588 [0,1,0,0,1,0|2,0,0]=4 5261 B14R1.86 C=CCCNC(=O)C=Cc1cccs1 11a_100015191253_100000182767 [0,1,0,0,1,0|2,0,0]=4 5262 B14R1.86 C=CCCNC(=O)C=Cc1cccs1 1626a_100015191253_100000182767 [0,1,0,0,1,0|2,0,0]=4 5263 B14R1.86 C=CCCNC(=O)C=Cc1cccs1 240690a_100015191253_100000182767 [0,1,0,0,1,0|2,0,0]=4 5264 B14R1.86 C=CCCNC(=O)C=Cc1ccoc1 11a_100015191253_100000238621 [0,1,0,0,1,0|2,0,0]=4 5265 B14R1.86 C=CCCNC(=O)C=Cc1ccoc1 1626a_100015191253_100000238621 [0,1,0,0,1,0|2,0,0]=4 5266 B14R1.86 C=CCCNC(=O)C=Cc1ccoc1 240690a_100015191253_100000238621 [0,1,0,0,1,0|2,0,0]=4 5267 B14R1.86 C=CCCNC(=O)C=Cc1ccsc1 11a_100015191253_100000698588 [0,1,0,0,1,0|2,0,0]=4 5268 B14R1.86 C=CCCNC(=O)C=Cc1ccsc1 1626a_100015191253_100000698588 [0,1,0,0,1,0|2,0,0]=4 5269 B14R1.86 C=CCCNC(=O)C=Cc1ccsc1 240690a_100015191253_100000698588 [0,1,0,0,1,0|2,0,0]=4 5270 B14R1.86 C=CCCNC(=O)C=Cc1ccsc1 527a_100015191253_100000698588 [0,1,0,0,1,0|2,0,0]=4 5271 B14R1.86 CC(=NNCCO)C=Cc1ccco1 4a_100000210001_100000001843 [0,1,0,0,1,0|2,0,0]=4 5272 B14R1.86 CC(=NNCCO)C=Cc1cccs1 4a_100000210001_100011218541 [0,1,0,0,1,0|2,0,0]=4 5273 B14R1.86 CCCCNC(=O)C=Cc1cccs1 11a_100000102301_100000182767 [0,1,0,0,1,0|2,0,0]=4 5274 B14R1.86 CCCCNC(=O)C=Cc1cccs1 1626a_100000102301_100000182767 [0,1,0,0,1,0|2,0,0]=4 5275 B14R1.86 CCCCNC(=O)C=Cc1cccs1 240690a_100000102301_100000182767 [0,1,0,0,1,0|2,0,0]=4 5276 B14R1.86 CCCCNC(=O)C=Cc1ccoc1 11a_100000102301_100000238621 [0,1,0,0,1,0|2,0,0]=4 5277 B14R1.86 CCCCNC(=O)C=Cc1ccoc1 1626a_100000102301_100000238621 [0,1,0,0,1,0|2,0,0]=4 5278 B14R1.86 CCCCNC(=O)C=Cc1ccoc1 240690a_100000102301_100000238621 [0,1,0,0,1,0|2,0,0]=4 5279 B14R1.86 CCCCNC(=O)C=Cc1ccsc1 11a_100000102301_100000698588 [0,1,0,0,1,0|2,0,0]=4 5280 B14R1.86 CCCCNC(=O)C=Cc1ccsc1 1626a_100000102301_100000698588 [0,1,0,0,1,0|2,0,0]=4 5281 B14R1.86 CCCCNC(=O)C=Cc1ccsc1 240690a_100000102301_100000698588 [0,1,0,0,1,0|2,0,0]=4 5282 B14R1.86 CCCCNC(=O)C=Cc1ccsc1 527a_100000102301_100000698588 [0,1,0,0,1,0|2,0,0]=4 5283 B14R1.86 CCCNNC(=O)C=Cc1ccco1 22a_100000740057_100000720202 [0,1,0,0,1,0|2,0,0]=4 5284 B14R1.86 CCCNNC(=O)C=Cc1cccs1 22a_100000740057_100000182767 [0,1,0,0,1,0|2,0,0]=4 5285 B14R1.86 CCCNNC(=O)C=Cc1ccoc1 22a_100000740057_100000238621 [0,1,0,0,1,0|2,0,0]=4 5286 B14R1.86 CCCNNC(=O)C=Cc1ccsc1 22a_100000740057_100000698588 [0,1,0,0,1,0|2,0,0]=4 5287 B14R1.86 COCCCC(=O)C=Cc1cccs1 1458a_100000182767_100000740836 [0,1,0,0,1,0|2,0,0]=4 5288 B14R1.86 COCCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000740836 [0,1,0,0,1,0|2,0,0]=4 5289 B14R1.86 COCCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000740836 [0,1,0,0,1,0|2,0,0]=4 5290 B14R1.86 COCCNC(=O)C=Cc1c[nH]cn1 240690a_100000209980_100102678534 [0,1,0,0,1,0|2,0,0]=4 5291 B14R1.86 COCCNC(=O)C=Cc1cccs1 1626a_100000209980_100000182767 [0,1,0,0,1,0|1,0,0]=3 5292 B14R1.86 COCCNC(=O)C=Cc1cccs1 240690a_100000209980_100000182767 [0,1,0,0,1,0|1,0,0]=3 5293 B14R1.86 COCCNC(=O)C=Cc1ccoc1 1626a_100000209980_100000238621 [0,1,0,0,1,0|1,0,0]=3 5294 B14R1.86 COCCNC(=O)C=Cc1ccoc1 240690a_100000209980_100000238621 [0,1,0,0,1,0|1,0,0]=3 5295 B14R1.86 COCCNC(=O)C=Cc1ccsc1 1626a_100000209980_100000698588 [0,1,0,0,1,0|1,0,0]=3 5296 B14R1.86 COCCNC(=O)C=Cc1ccsc1 240690a_100000209980_100000698588 [0,1,0,0,1,0|1,0,0]=3 5297 B14R1.86 COCCNC(=O)C=Cc1ccsc1 527a_100000209980_100000698588 [0,1,0,0,1,0|1,0,0]=3 5298 B14R1.86 COCCNC(=O)C=Cc1cscn1 1626a_100000209980_200000747928 [0,1,0,0,1,0|2,0,0]=4 5299 B14R1.86 COCCNC(=O)C=Cc1cscn1 240690a_100000209980_200000747928 [0,1,0,0,1,0|2,0,0]=4 5300 B14R1.86 COCCNC(=O)C=Cc1nccs1 240690a_100000209980_100102558208 [0,1,0,0,1,0|2,0,0]=4 5301 B14R1.86 CSCCNC(=O)C=Cc1cccs1 11a_100020590264_100000182767 [0,1,0,0,1,0|1,1,0]=4 5302 B14R1.86 CSCCNC(=O)C=Cc1cccs1 1626a_100020590264_100000182767 [0,1,0,0,1,0|1,1,0]=4 5303 B14R1.86 CSCCNC(=O)C=Cc1cccs1 240690a_100020590264_100000182767 [0,1,0,0,1,0|1,1,0]=4 5304 B14R1.86 CSCCNC(=O)C=Cc1ccoc1 11a_100020590264_100000238621 [0,1,0,0,1,0|1,1,0]=4 5305 B14R1.86 CSCCNC(=O)C=Cc1ccoc1 1626a_100020590264_100000238621 [0,1,0,0,1,0|1,1,0]=4 5306 B14R1.86 CSCCNC(=O)C=Cc1ccoc1 240690a_100020590264_100000238621 [0,1,0,0,1,0|1,1,0]=4 5307 B14R1.86 CSCCNC(=O)C=Cc1ccsc1 11a_100020590264_100000698588 [0,1,0,0,1,0|1,1,0]=4 5308 B14R1.86 CSCCNC(=O)C=Cc1ccsc1 1626a_100020590264_100000698588 [0,1,0,0,1,0|1,1,0]=4 5309 B14R1.86 CSCCNC(=O)C=Cc1ccsc1 240690a_100020590264_100000698588 [0,1,0,0,1,0|1,1,0]=4 5310 B14R1.86 CSCCNC(=O)C=Cc1ccsc1 527a_100020590264_100000698588 [0,1,0,0,1,0|1,1,0]=4 5311 B14R1.86 N#CCCNC(=O)C=Cc1cccs1 11a_100000720768_100000182767 [0,1,0,0,1,0|2,0,0]=4 5312 B14R1.86 N#CCCNC(=O)C=Cc1cccs1 1626a_100000720768_100000182767 [0,1,0,0,1,0|2,0,0]=4 5313 B14R1.86 N#CCCNC(=O)C=Cc1cccs1 240690a_100000720768_100000182767 [0,1,0,0,1,0|2,0,0]=4 5314 B14R1.86 N#CCCNC(=O)C=Cc1ccoc1 11a_100000720768_100000238621 [0,1,0,0,1,0|2,0,0]=4 5315 B14R1.86 N#CCCNC(=O)C=Cc1ccoc1 1626a_100000720768_100000238621 [0,1,0,0,1,0|2,0,0]=4 5316 B14R1.86 N#CCCNC(=O)C=Cc1ccoc1 240690a_100000720768_100000238621 [0,1,0,0,1,0|2,0,0]=4 5317 B14R1.86 N#CCCNC(=O)C=Cc1ccsc1 11a_100000720768_100000698588 [0,1,0,0,1,0|2,0,0]=4 5318 B14R1.86 N#CCCNC(=O)C=Cc1ccsc1 1626a_100000720768_100000698588 [0,1,0,0,1,0|2,0,0]=4 5319 B14R1.86 N#CCCNC(=O)C=Cc1ccsc1 240690a_100000720768_100000698588 [0,1,0,0,1,0|2,0,0]=4 5320 B14R1.86 N#CCCNC(=O)C=Cc1ccsc1 527a_100000720768_100000698588 [0,1,0,0,1,0|2,0,0]=4 5321 B14R1.86 O=C(C=Cc1c[nH]cn1)NCCCO 240690a_100000182051_100102678534 [0,1,0,0,1,0|2,0,0]=4 5322 B14R1.86 O=C(C=Cc1c[nH]cn1)NNCCO 22a_100000210001_100102678534 [0,1,0,0,1,0|2,0,0]=4 5323 B14R1.86 O=C(C=Cc1ccco1)NNCCO 22a_100000210001_100000720202 [0,1,0,0,1,0|1,0,0]=3 5324 B14R1.86 O=C(C=Cc1cccs1)CCCCO 1458a_100000182767_100000210776 [0,1,0,0,1,0|2,0,0]=4 5325 B14R1.86 O=C(C=Cc1cccs1)NCCCF 11a_100015189416_100000182767 [0,1,0,0,1,0|2,0,0]=4 5326 B14R1.86 O=C(C=Cc1cccs1)NCCCF 1626a_100015189416_100000182767 [0,1,0,0,1,0|2,0,0]=4 5327 B14R1.86 O=C(C=Cc1cccs1)NCCCF 240690a_100015189416_100000182767 [0,1,0,0,1,0|2,0,0]=4 5328 B14R1.86 O=C(C=Cc1cccs1)NCCCO 240690a_100000182051_100000182767 [0,1,0,0,1,0|1,0,0]=3 5329 B14R1.86 O=C(C=Cc1cccs1)NNCCO 22a_100000210001_100000182767 [0,1,0,0,1,0|1,0,0]=3 5330 B14R1.86 O=C(C=Cc1ccoc1)CCCCO 1458a_100000238621_100000210776 [0,1,0,0,1,0|2,0,0]=4 5331 B14R1.86 O=C(C=Cc1ccoc1)NCCCF 11a_100015189416_100000238621 [0,1,0,0,1,0|2,0,0]=4 5332 B14R1.86 O=C(C=Cc1ccoc1)NCCCF 1626a_100015189416_100000238621 [0,1,0,0,1,0|2,0,0]=4 5333 B14R1.86 O=C(C=Cc1ccoc1)NCCCF 240690a_100015189416_100000238621 [0,1,0,0,1,0|2,0,0]=4 5334 B14R1.86 O=C(C=Cc1ccoc1)NCCCO 240690a_100000182051_100000238621 [0,1,0,0,1,0|1,0,0]=3 5335 B14R1.86 O=C(C=Cc1ccoc1)NNCCO 22a_100000210001_100000238621 [0,1,0,0,1,0|1,0,0]=3 5336 B14R1.86 O=C(C=Cc1ccsc1)CCCCO 1458a_100000698588_100000210776 [0,1,0,0,1,0|2,0,0]=4 5337 B14R1.86 O=C(C=Cc1ccsc1)NCCCF 11a_100015189416_100000698588 [0,1,0,0,1,0|2,0,0]=4 5338 B14R1.86 O=C(C=Cc1ccsc1)NCCCF 1626a_100015189416_100000698588 [0,1,0,0,1,0|2,0,0]=4 5339 B14R1.86 O=C(C=Cc1ccsc1)NCCCF 240690a_100015189416_100000698588 [0,1,0,0,1,0|2,0,0]=4 5340 B14R1.86 O=C(C=Cc1ccsc1)NCCCF 527a_100015189416_100000698588 [0,1,0,0,1,0|2,0,0]=4 5341 B14R1.86 O=C(C=Cc1ccsc1)NCCCO 240690a_100000182051_100000698588 [0,1,0,0,1,0|1,0,0]=3 5342 B14R1.86 O=C(C=Cc1ccsc1)NCCCO 527a_100000182051_100000698588 [0,1,0,0,1,0|1,0,0]=3 5343 B14R1.86 O=C(C=Cc1ccsc1)NNCCO 22a_100000210001_100000698588 [0,1,0,0,1,0|1,0,0]=3 5344 B14R1.86 O=C(C=Cc1cscn1)NCCCO 240690a_100000182051_200000747928 [0,1,0,0,1,0|2,0,0]=4 5345 B14R1.86 O=C(C=Cc1cscn1)NNCCO 22a_100000210001_200000747928 [0,1,0,0,1,0|2,0,0]=4 5346 B14R1.86 O=C(C=Cc1nccs1)NCCCO 240690a_100000182051_100102558208 [0,1,0,0,1,0|2,0,0]=4 5347 B14R1.86 O=C(C=Cc1nccs1)NNCCO 22a_100000210001_100102558208 [0,1,0,0,1,0|2,0,0]=4 5348 B14R1.155 CCCNC(=O)C=Cc1cc(cs1)Br 11a_100020643023_100102601599 [0,1,0,0,1,0|2,0,0]=4 5349 B14R1.155 CCCNC(=O)C=Cc1cc(cs1)Br 1626a_100020643023_100102601599 [0,1,0,0,1,0|2,0,0]=4 5350 B14R1.155 CCCNC(=O)C=Cc1cc(cs1)Br 240690a_100020643023_100102601599 [0,1,0,0,1,0|2,0,0]=4 5351 B14R1.155 CCCNC(=O)C=Cc1ccc(o1)Br 11a_100020643023_100000182240 [0,1,0,0,1,0|2,0,0]=4 5352 B14R1.155 CCCNC(=O)C=Cc1ccc(o1)Br 240690a_100020643023_100000182240 [0,1,0,0,1,0|2,0,0]=4 5353 B14R1.155 CCCNC(=O)C=Cc1ccc(o1)C 11a_100020643023_100000183563 [0,1,0,0,1,0|2,0,0]=4 5354 B14R1.155 CCCNC(=O)C=Cc1ccc(o1)C 1626a_100020643023_100000183563 [0,1,0,0,1,0|2,0,0]=4 5355 B14R1.155 CCCNC(=O)C=Cc1ccc(o1)C 240690a_100020643023_100000183563 [0,1,0,0,1,0|2,0,0]=4 5356 B14R1.155 CCCNC(=O)C=Cc1ccc(o1)C 527a_100020643023_100000183563 [0,1,0,0,1,0|2,0,0]=4 5357 B14R1.155 CCCNC(=O)C=Cc1ccc(o1)I 11a_100020643023_100000679848 [0,1,0,0,1,0|2,0,0]=4 5358 B14R1.155 CCCNC(=O)C=Cc1ccc(o1)I 1626a_100020643023_100000679848 [0,1,0,0,1,0|2,0,0]=4 5359 B14R1.155 CCCNC(=O)C=Cc1ccc(o1)I 240690a_100020643023_100000679848 [0,1,0,0,1,0|2,0,0]=4 5360 B14R1.155 CCCNC(=O)C=Cc1ccc(s1)Br 11a_100020643023_100102558031 [0,1,0,0,1,0|2,0,0]=4 5361 B14R1.155 CCCNC(=O)C=Cc1ccc(s1)Br 1626a_100020643023_100102558031 [0,1,0,0,1,0|2,0,0]=4 5362 B14R1.155 CCCNC(=O)C=Cc1ccc(s1)Br 240690a_100020643023_100102558031 [0,1,0,0,1,0|2,0,0]=4 5363 B14R1.155 CCCNC(=O)C=Cc1ccc(s1)C 11a_100020643023_100102558089 [0,1,0,0,1,0|2,0,0]=4 5364 B14R1.155 CCCNC(=O)C=Cc1ccc(s1)C 1626a_100020643023_100102558089 [0,1,0,0,1,0|2,0,0]=4 5365 B14R1.155 CCCNC(=O)C=Cc1ccc(s1)C 240690a_100020643023_100102558089 [0,1,0,0,1,0|2,0,0]=4 5366 B14R1.155 CCCNC(=O)C=Cc1ccc(s1)Cl 11a_100020643023_100102558157 [0,1,0,0,1,0|2,0,0]=4 5367 B14R1.155 CCCNC(=O)C=Cc1ccc(s1)Cl 1626a_100020643023_100102558157 [0,1,0,0,1,0|2,0,0]=4 5368 B14R1.155 CCCNC(=O)C=Cc1ccc(s1)Cl 240690a_100020643023_100102558157 [0,1,0,0,1,0|2,0,0]=4 5369 B14R1.155 Cc1ccc(o1)C=CC(=O)CCCO 1458a_100000183563_100011215043 [0,1,0,0,1,0|2,0,0]=4 5370 B14R1.155 Cc1ccc(o1)C=CC(=O)NCCF 11a_100000724931_100000183563 [0,1,0,0,1,0|2,0,0]=4 5371 B14R1.155 Cc1ccc(o1)C=CC(=O)NCCF 1626a_100000724931_100000183563 [0,1,0,0,1,0|2,0,0]=4 5372 B14R1.155 Cc1ccc(o1)C=CC(=O)NCCF 240690a_100000724931_100000183563 [0,1,0,0,1,0|2,0,0]=4 5373 B14R1.155 Cc1ccc(o1)C=CC(=O)NCCF 527a_100000724931_100000183563 [0,1,0,0,1,0|2,0,0]=4 5374 B14R1.155 Cc1ccc(o1)C=CC(=O)NCCO 240690a_100000210304_100000183563 [0,1,0,0,1,0|1,0,0]=3 5375 B14R1.155 Cc1ccc(o1)C=CC(=O)NCCO 527a_100000210304_100000183563 [0,1,0,0,1,0|1,0,0]=3 5376 B14R1.155 Cc1ccc(s1)C=CC(=O)CCCO 1458a_100102558089_100011215043 [0,1,0,0,1,0|2,0,0]=4 5377 B14R1.155 Cc1ccc(s1)C=CC(=O)NCCF 11a_100000724931_100102558089 [0,1,0,0,1,0|2,0,0]=4 5378 B14R1.155 Cc1ccc(s1)C=CC(=O)NCCF 1626a_100000724931_100102558089 [0,1,0,0,1,0|2,0,0]=4 5379 B14R1.155 Cc1ccc(s1)C=CC(=O)NCCF 240690a_100000724931_100102558089 [0,1,0,0,1,0|2,0,0]=4 5380 B14R1.155 Cc1ccc(s1)C=CC(=O)NCCO 240690a_100000210304_100102558089 [0,1,0,0,1,0|1,0,0]=3 5381 B14R1.155 Cn1cc(cn1)C=CC(=O)NCCO 240690a_100000210304_100000230101 [0,1,0,0,1,0|2,0,0]=4 5382 B14R1.155 O=C(C=Cc1cc(cs1)Br)CCCO 1458a_100102601599_100011215043 [0,1,0,0,1,0|2,0,0]=4 5383 B14R1.155 O=C(C=Cc1cc(cs1)Br)NCCF 11a_100000724931_100102601599 [0,1,0,0,1,0|2,0,0]=4 5384 B14R1.155 O=C(C=Cc1cc(cs1)Br)NCCF 1626a_100000724931_100102601599 [0,1,0,0,1,0|2,0,0]=4 5385 B14R1.155 O=C(C=Cc1cc(cs1)Br)NCCF 240690a_100000724931_100102601599 [0,1,0,0,1,0|2,0,0]=4 5386 B14R1.155 O=C(C=Cc1cc(cs1)Br)NCCO 240690a_100000210304_100102601599 [0,1,0,0,1,0|1,0,0]=3 5387 B14R1.155 O=C(C=Cc1ccc(o1)Br)CCCO 1458a_100000182240_100011215043 [0,1,0,0,1,0|2,0,0]=4 5388 B14R1.155 O=C(C=Cc1ccc(o1)Br)NCCF 11a_100000724931_100000182240 [0,1,0,0,1,0|2,0,0]=4 5389 B14R1.155 O=C(C=Cc1ccc(o1)Br)NCCF 240690a_100000724931_100000182240 [0,1,0,0,1,0|2,0,0]=4 5390 B14R1.155 O=C(C=Cc1ccc(o1)Br)NCCO 240690a_100000210304_100000182240 [0,1,0,0,1,0|1,0,0]=3 5391 B14R1.155 O=C(C=Cc1ccc(o1)I)CCCO 1458a_100000679848_100011215043 [0,1,0,0,1,0|2,0,0]=4 5392 B14R1.155 O=C(C=Cc1ccc(o1)I)NCCF 11a_100000724931_100000679848 [0,1,0,0,1,0|2,0,0]=4 5393 B14R1.155 O=C(C=Cc1ccc(o1)I)NCCF 1626a_100000724931_100000679848 [0,1,0,0,1,0|2,0,0]=4 5394 B14R1.155 O=C(C=Cc1ccc(o1)I)NCCF 240690a_100000724931_100000679848 [0,1,0,0,1,0|2,0,0]=4 5395 B14R1.155 O=C(C=Cc1ccc(o1)I)NCCO 240690a_100000210304_100000679848 [0,1,0,0,1,0|1,0,0]=3 5396 B14R1.155 O=C(C=Cc1ccc(s1)Br)CCCO 1458a_100102558031_100011215043 [0,1,0,0,1,0|2,0,0]=4 5397 B14R1.155 O=C(C=Cc1ccc(s1)Br)NCCF 11a_100000724931_100102558031 [0,1,0,0,1,0|2,0,0]=4 5398 B14R1.155 O=C(C=Cc1ccc(s1)Br)NCCF 1626a_100000724931_100102558031 [0,1,0,0,1,0|2,0,0]=4 5399 B14R1.155 O=C(C=Cc1ccc(s1)Br)NCCF 240690a_100000724931_100102558031 [0,1,0,0,1,0|2,0,0]=4 5400 B14R1.155 O=C(C=Cc1ccc(s1)Br)NCCO 240690a_100000210304_100102558031 [0,1,0,0,1,0|1,0,0]=3 5401 B14R1.155 O=C(C=Cc1ccc(s1)Cl)CCCO 1458a_100102558157_100011215043 [0,1,0,0,1,0|2,0,0]=4 5402 B14R1.155 O=C(C=Cc1ccc(s1)Cl)NCCF 11a_100000724931_100102558157 [0,1,0,0,1,0|2,0,0]=4 5403 B14R1.155 O=C(C=Cc1ccc(s1)Cl)NCCF 1626a_100000724931_100102558157 [0,1,0,0,1,0|2,0,0]=4 5404 B14R1.155 O=C(C=Cc1ccc(s1)Cl)NCCF 240690a_100000724931_100102558157 [0,1,0,0,1,0|2,0,0]=4 5405 B14R1.155 O=C(C=Cc1ccc(s1)Cl)NCCO 240690a_100000210304_100102558157 [0,1,0,0,1,0|1,0,0]=3 5406 B14R1.454 CC(=Cc1ccco1)C(=O)CCCO 1458a_100011995979_100011215043 [0,1,0,0,1,0|2,0,0]=4 5407 B14R1.454 CC(=Cc1ccco1)C(=O)NCCF 11a_100000724931_100011995979 [0,1,0,0,1,0|2,0,0]=4 5408 B14R1.454 CC(=Cc1ccco1)C(=O)NCCF 1626a_100000724931_100011995979 [0,1,0,0,1,0|2,0,0]=4 5409 B14R1.454 CC(=Cc1ccco1)C(=O)NCCF 527a_100000724931_100011995979 [0,1,0,0,1,0|2,0,0]=4 5410 B14R1.454 CC(=Cc1ccco1)C(=O)NCCO 527a_100000210304_100011995979 [0,1,0,0,1,0|1,0,0]=3 5411 B14R1.454 CCCNC(=O)C(=Cc1ccco1)C 11a_100020643023_100011995979 [0,1,0,0,1,0|2,0,0]=4 5412 B14R1.454 CCCNC(=O)C(=Cc1ccco1)C 1626a_100020643023_100011995979 [0,1,0,0,1,0|2,0,0]=4 5413 B14R1.454 CCCNC(=O)C(=Cc1ccco1)C 527a_100020643023_100011995979 [0,1,0,0,1,0|2,0,0]=4 5414 B14R1.588 CCC(C)NC(=O)C=Cc1cccs1 11a_100000209981_100000182767 [0,1,0,0,1,0|2,0,0]=4 5415 B14R1.588 CCC(C)NC(=O)C=Cc1cccs1 1626a_100000209981_100000182767 [0,1,0,0,1,0|2,0,0]=4 5416 B14R1.588 CCC(C)NC(=O)C=Cc1cccs1 240690a_100000209981_100000182767 [0,1,0,0,1,0|2,0,0]=4 5417 B14R1.588 CCC(C)NC(=O)C=Cc1ccoc1 11a_100000209981_100000238621 [0,1,0,0,1,0|2,0,0]=4 5418 B14R1.588 CCC(C)NC(=O)C=Cc1ccoc1 1626a_100000209981_100000238621 [0,1,0,0,1,0|2,0,0]=4 5419 B14R1.588 CCC(C)NC(=O)C=Cc1ccoc1 240690a_100000209981_100000238621 [0,1,0,0,1,0|2,0,0]=4 5420 B14R1.588 CCC(C)NC(=O)C=Cc1ccsc1 11a_100000209981_100000698588 [0,1,0,0,1,0|2,0,0]=4 5421 B14R1.588 CCC(C)NC(=O)C=Cc1ccsc1 1626a_100000209981_100000698588 [0,1,0,0,1,0|2,0,0]=4 5422 B14R1.588 CCC(C)NC(=O)C=Cc1ccsc1 240690a_100000209981_100000698588 [0,1,0,0,1,0|2,0,0]=4 5423 B14R1.588 CCC(C)NC(=O)C=Cc1ccsc1 527a_100000209981_100000698588 [0,1,0,0,1,0|2,0,0]=4 5424 B14R1.588 C[C@@H](CO)CC(=O)C=Cc1cccs1 1458a_100000182767_100000059175 [0,1,0,0,1,0|2,0,0]=4 5425 B14R1.588 C[C@@H](CO)CC(=O)C=Cc1ccoc1 1458a_100000238621_100000059175 [0,1,0,0,1,0|2,0,0]=4 5426 B14R1.588 C[C@@H](CO)CC(=O)C=Cc1ccsc1 1458a_100000698588_100000059175 [0,1,0,0,1,0|2,0,0]=4 5427 B14R1.588 C[C@H](CF)NC(=O)C=Cc1cccs1 11a_100102880703_100000182767 [0,1,0,0,1,0|2,0,0]=4 5428 B14R1.588 C[C@H](CF)NC(=O)C=Cc1cccs1 1626a_100102880703_100000182767 [0,1,0,0,1,0|2,0,0]=4 5429 B14R1.588 C[C@H](CF)NC(=O)C=Cc1cccs1 240690a_100102880703_100000182767 [0,1,0,0,1,0|2,0,0]=4 5430 B14R1.588 C[C@H](CF)NC(=O)C=Cc1ccoc1 11a_100102880703_100000238621 [0,1,0,0,1,0|2,0,0]=4 5431 B14R1.588 C[C@H](CF)NC(=O)C=Cc1ccoc1 1626a_100102880703_100000238621 [0,1,0,0,1,0|2,0,0]=4 5432 B14R1.588 C[C@H](CF)NC(=O)C=Cc1ccoc1 240690a_100102880703_100000238621 [0,1,0,0,1,0|2,0,0]=4 5433 B14R1.588 C[C@H](CF)NC(=O)C=Cc1ccsc1 11a_100102880703_100000698588 [0,1,0,0,1,0|2,0,0]=4 5434 B14R1.588 C[C@H](CF)NC(=O)C=Cc1ccsc1 1626a_100102880703_100000698588 [0,1,0,0,1,0|2,0,0]=4 5435 B14R1.588 C[C@H](CF)NC(=O)C=Cc1ccsc1 240690a_100102880703_100000698588 [0,1,0,0,1,0|2,0,0]=4 5436 B14R1.588 C[C@H](CF)NC(=O)C=Cc1ccsc1 527a_100102880703_100000698588 [0,1,0,0,1,0|2,0,0]=4 5437 B14R1.588 C[C@H](CO)NC(=O)C=Cc1c[nH]cn1 240690a_100000737577_100102678534 [0,1,0,0,1,0|2,0,0]=4 5438 B14R1.588 C[C@H](CO)NC(=O)C=Cc1cccs1 240690a_100000737577_100000182767 [0,1,0,0,1,0|1,0,0]=3 5439 B14R1.588 C[C@H](CO)NC(=O)C=Cc1ccoc1 240690a_100000737577_100000238621 [0,1,0,0,1,0|1,0,0]=3 5440 B14R1.588 C[C@H](CO)NC(=O)C=Cc1ccsc1 240690a_100000737577_100000698588 [0,1,0,0,1,0|1,0,0]=3 5441 B14R1.588 C[C@H](CO)NC(=O)C=Cc1ccsc1 527a_100000737577_100000698588 [0,1,0,0,1,0|1,0,0]=3 5442 B14R1.588 C[C@H](CO)NC(=O)C=Cc1cscn1 240690a_100000737577_200000747928 [0,1,0,0,1,0|2,0,0]=4 5443 B14R1.588 C[C@H](CO)NC(=O)C=Cc1nccs1 240690a_100000737577_100102558208 [0,1,0,0,1,0|2,0,0]=4 5444 B14R1.633 CC(CCO)C(=O)C=Cc1cccs1 1458a_100000182767_100009893172 [0,1,0,0,1,0|2,0,0]=4 5445 B14R1.633 CC(CCO)C(=O)C=Cc1ccoc1 1458a_100000238621_100009893172 [0,1,0,0,1,0|2,0,0]=4 5446 B14R1.633 CC(CCO)C(=O)C=Cc1ccsc1 1458a_100000698588_100009893172 [0,1,0,0,1,0|2,0,0]=4 5447 B14R1.633 CCCN(C)C(=O)C=Cc1cccs1 11a_100000747261_100000182767 [0,1,0,0,1,0|2,0,0]=4 5448 B14R1.633 CCCN(C)C(=O)C=Cc1cccs1 1626a_100000747261_100000182767 [0,1,0,0,1,0|2,0,0]=4 5449 B14R1.633 CCCN(C)C(=O)C=Cc1cccs1 240690a_100000747261_100000182767 [0,1,0,0,1,0|2,0,0]=4 5450 B14R1.633 CCCN(C)C(=O)C=Cc1ccoc1 11a_100000747261_100000238621 [0,1,0,0,1,0|2,0,0]=4 5451 B14R1.633 CCCN(C)C(=O)C=Cc1ccoc1 1626a_100000747261_100000238621 [0,1,0,0,1,0|2,0,0]=4 5452 B14R1.633 CCCN(C)C(=O)C=Cc1ccoc1 240690a_100000747261_100000238621 [0,1,0,0,1,0|2,0,0]=4 5453 B14R1.633 CCCN(C)C(=O)C=Cc1ccsc1 11a_100000747261_100000698588 [0,1,0,0,1,0|2,0,0]=4 5454 B14R1.633 CCCN(C)C(=O)C=Cc1ccsc1 1626a_100000747261_100000698588 [0,1,0,0,1,0|2,0,0]=4 5455 B14R1.633 CCCN(C)C(=O)C=Cc1ccsc1 240690a_100000747261_100000698588 [0,1,0,0,1,0|2,0,0]=4 5456 B14R1.633 CCCN(C)C(=O)C=Cc1ccsc1 527a_100000747261_100000698588 [0,1,0,0,1,0|2,0,0]=4 5457 B14R1.633 CN(CCO)C(=O)C=Cc1c[nH]cn1 240690a_100000210263_100102678534 [0,1,0,0,1,0|2,0,0]=4 5458 B14R1.633 CN(CCO)C(=O)C=Cc1cccs1 240690a_100000210263_100000182767 [0,1,0,0,1,0|1,0,0]=3 5459 B14R1.633 CN(CCO)C(=O)C=Cc1ccoc1 240690a_100000210263_100000238621 [0,1,0,0,1,0|1,0,0]=3 5460 B14R1.633 CN(CCO)C(=O)C=Cc1ccsc1 240690a_100000210263_100000698588 [0,1,0,0,1,0|1,0,0]=3 5461 B14R1.633 CN(CCO)C(=O)C=Cc1ccsc1 527a_100000210263_100000698588 [0,1,0,0,1,0|1,0,0]=3 5462 B14R1.633 CN(CCO)C(=O)C=Cc1cscn1 240690a_100000210263_200000747928 [0,1,0,0,1,0|2,0,0]=4 5463 B14R1.633 CN(CCO)C(=O)C=Cc1nccs1 240690a_100000210263_100102558208 [0,1,0,0,1,0|2,0,0]=4 5464 B14R1.916 CCCNC(=O)C=Cc1sccc1C 11a_100020643023_100000185125 [0,1,0,0,1,0|2,0,0]=4 5465 B14R1.916 CCCNC(=O)C=Cc1sccc1C 1626a_100020643023_100000185125 [0,1,0,0,1,0|2,0,0]=4 5466 B14R1.916 CCCNC(=O)C=Cc1sccc1C 240690a_100020643023_100000185125 [0,1,0,0,1,0|2,0,0]=4 5467 B14R1.916 CCCNC(=O)C=Cc1sccc1C 527a_100020643023_100000185125 [0,1,0,0,1,0|2,0,0]=4 5468 B14R1.916 Cc1ccsc1C=CC(=O)CCCO 1458a_100000185125_100011215043 [0,1,0,0,1,0|2,0,0]=4 5469 B14R1.916 Cc1ccsc1C=CC(=O)NCCF 11a_100000724931_100000185125 [0,1,0,0,1,0|2,0,0]=4 5470 B14R1.916 Cc1ccsc1C=CC(=O)NCCF 1626a_100000724931_100000185125 [0,1,0,0,1,0|2,0,0]=4 5471 B14R1.916 Cc1ccsc1C=CC(=O)NCCF 240690a_100000724931_100000185125 [0,1,0,0,1,0|2,0,0]=4 5472 B14R1.916 Cc1ccsc1C=CC(=O)NCCF 527a_100000724931_100000185125 [0,1,0,0,1,0|2,0,0]=4 5473 B14R1.916 Cc1ccsc1C=CC(=O)NCCO 240690a_100000210304_100000185125 [0,1,0,0,1,0|1,0,0]=3 5474 B14R1.916 Cc1ccsc1C=CC(=O)NCCO 527a_100000210304_100000185125 [0,1,0,0,1,0|1,0,0]=3 5475 B14R1.916 Cn1nccc1C=CC(=O)NCCO 240690a_100000210304_100102528386 [0,1,0,0,1,0|2,0,0]=4 5476 B14R1.4526 CC(C)CNC(=O)C=Cc1cccs1 11a_100000210953_100000182767 [0,1,0,0,1,0|2,0,0]=4 5477 B14R1.4526 CC(C)CNC(=O)C=Cc1cccs1 1626a_100000210953_100000182767 [0,1,0,0,1,0|2,0,0]=4 5478 B14R1.4526 CC(C)CNC(=O)C=Cc1cccs1 240690a_100000210953_100000182767 [0,1,0,0,1,0|2,0,0]=4 5479 B14R1.4526 CC(C)CNC(=O)C=Cc1ccoc1 11a_100000210953_100000238621 [0,1,0,0,1,0|2,0,0]=4 5480 B14R1.4526 CC(C)CNC(=O)C=Cc1ccoc1 1626a_100000210953_100000238621 [0,1,0,0,1,0|2,0,0]=4 5481 B14R1.4526 CC(C)CNC(=O)C=Cc1ccoc1 240690a_100000210953_100000238621 [0,1,0,0,1,0|2,0,0]=4 5482 B14R1.4526 CC(C)CNC(=O)C=Cc1ccsc1 11a_100000210953_100000698588 [0,1,0,0,1,0|2,0,0]=4 5483 B14R1.4526 CC(C)CNC(=O)C=Cc1ccsc1 1626a_100000210953_100000698588 [0,1,0,0,1,0|2,0,0]=4 5484 B14R1.4526 CC(C)CNC(=O)C=Cc1ccsc1 240690a_100000210953_100000698588 [0,1,0,0,1,0|2,0,0]=4 5485 B14R1.4526 CC(C)CNC(=O)C=Cc1ccsc1 527a_100000210953_100000698588 [0,1,0,0,1,0|2,0,0]=4 5486 B14R1.4526 CC(O)CCC(=O)C=Cc1cccs1 1458a_100000182767_100012276601 [0,1,0,0,1,0|2,0,0]=4 5487 B14R1.4526 CC(O)CCC(=O)C=Cc1ccoc1 1458a_100000238621_100012276601 [0,1,0,0,1,0|2,0,0]=4 5488 B14R1.4526 CC(O)CCC(=O)C=Cc1ccsc1 1458a_100000698588_100012276601 [0,1,0,0,1,0|2,0,0]=4 5489 B14R1.4526 CC(O)CNC(=O)C=Cc1c[nH]cn1 240690a_100000210904_100102678534 [0,1,0,0,1,0|2,0,0]=4 5490 B14R1.4526 CC(O)CNC(=O)C=Cc1cccs1 11a_100000210904_100000182767 [0,1,0,0,1,0|1,0,0]=3 5491 B14R1.4526 CC(O)CNC(=O)C=Cc1cccs1 240690a_100000210904_100000182767 [0,1,0,0,1,0|1,0,0]=3 5492 B14R1.4526 CC(O)CNC(=O)C=Cc1ccoc1 11a_100000210904_100000238621 [0,1,0,0,1,0|1,0,0]=3 5493 B14R1.4526 CC(O)CNC(=O)C=Cc1ccoc1 240690a_100000210904_100000238621 [0,1,0,0,1,0|1,0,0]=3 5494 B14R1.4526 CC(O)CNC(=O)C=Cc1ccsc1 11a_100000210904_100000698588 [0,1,0,0,1,0|1,0,0]=3 5495 B14R1.4526 CC(O)CNC(=O)C=Cc1ccsc1 240690a_100000210904_100000698588 [0,1,0,0,1,0|1,0,0]=3 5496 B14R1.4526 CC(O)CNC(=O)C=Cc1ccsc1 527a_100000210904_100000698588 [0,1,0,0,1,0|1,0,0]=3 5497 B14R1.4526 CC(O)CNC(=O)C=Cc1cscn1 11a_100000210904_200000747928 [0,1,0,0,1,0|2,0,0]=4 5498 B14R1.4526 CC(O)CNC(=O)C=Cc1cscn1 240690a_100000210904_200000747928 [0,1,0,0,1,0|2,0,0]=4 5499 B14R1.4526 CC(O)CNC(=O)C=Cc1nccs1 11a_100000210904_100102558208 [0,1,0,0,1,0|2,0,0]=4 5500 B14R1.4526 CC(O)CNC(=O)C=Cc1nccs1 240690a_100000210904_100102558208 [0,1,0,0,1,0|2,0,0]=4 5501 B14R1.4526 O=C(C=Cc1cccs1)NCC(F)F 11a_100000765723_100000182767 [0,1,0,0,1,0|2,0,0]=4 5502 B14R1.4526 O=C(C=Cc1cccs1)NCC(F)F 1626a_100000765723_100000182767 [0,1,0,0,1,0|2,0,0]=4 5503 B14R1.4526 O=C(C=Cc1cccs1)NCC(F)F 240690a_100000765723_100000182767 [0,1,0,0,1,0|2,0,0]=4 5504 B14R1.4526 O=C(C=Cc1ccoc1)NCC(F)F 11a_100000765723_100000238621 [0,1,0,0,1,0|2,0,0]=4 5505 B14R1.4526 O=C(C=Cc1ccoc1)NCC(F)F 1626a_100000765723_100000238621 [0,1,0,0,1,0|2,0,0]=4 5506 B14R1.4526 O=C(C=Cc1ccoc1)NCC(F)F 240690a_100000765723_100000238621 [0,1,0,0,1,0|2,0,0]=4 5507 B14R1.4526 O=C(C=Cc1ccsc1)NCC(F)F 11a_100000765723_100000698588 [0,1,0,0,1,0|2,0,0]=4 5508 B14R1.4526 O=C(C=Cc1ccsc1)NCC(F)F 1626a_100000765723_100000698588 [0,1,0,0,1,0|2,0,0]=4 5509 B14R1.4526 O=C(C=Cc1ccsc1)NCC(F)F 240690a_100000765723_100000698588 [0,1,0,0,1,0|2,0,0]=4 5510 B14R1.4526 O=C(C=Cc1ccsc1)NCC(F)F 527a_100000765723_100000698588 [0,1,0,0,1,0|2,0,0]=4 5511 B16R1.8 Cc1ccc(cc1)CCCC(=O)NCCO 240690a_100000210304_100000741418 [0,1,0,0,0,1|0,0,2]=4 5512 B16R1.8 Cc1ccc(cc1)CCCC(=O)NCCO 527a_100000210304_100000741418 [0,1,0,0,0,1|0,0,2]=4 5513 B16R1.8 Cc1ccc(cc1)CCNC(=O)NCCO 2708a_100000705350_100000210304 [0,1,0,0,0,1|0,0,2]=4 5514 B16R1.8 Cc1ccc(cc1)CCNC(=O)NCCO 273464a_100000210304_100000705350 [0,1,0,0,0,1|0,0,2]=4 5515 B16R1.8 Cc1ccc(cc1)CCNC(=O)NCCO 273464a_100000705350_100000210304 [0,1,0,0,0,1|0,0,2]=4 5516 B16R1.8 Cc1ccc(cc1)CCNC(=O)NCCO 512a_100000705350_100000210304 [0,1,0,0,0,1|0,0,2]=4 5517 B16R1.8 Cc1ccc(cc1)CNNC(=O)NCCO 273464a_100000210304_100011197965 [0,1,0,0,0,1|1,0,1]=4 5518 B16R1.8 Cc1ccc(cc1)OCCC(=O)NCCO 240690a_100000210304_100000182323 [0,1,0,0,0,1|0,0,2]=4 5519 B16R1.8 Cc1ccc(cc1)SCCC(=O)NCCO 240690a_100000210304_100000182377 [0,1,0,0,0,1|0,0,2]=4 5520 B16R1.8 O=C(CCCc1ccc(cc1)Br)NCCO 240690a_100000210304_100011236545 [0,1,0,0,0,1|0,0,2]=4 5521 B16R1.8 O=C(CCCc1ccc(cc1)Br)NCCO 527a_100000210304_100011236545 [0,1,0,0,0,1|0,0,2]=4 5522 B16R1.8 O=C(CCCc1ccc(cc1)Cl)NCCO 240690a_100000210304_100000741339 [0,1,0,0,0,1|0,0,2]=4 5523 B16R1.8 O=C(CCCc1ccc(cc1)Cl)NCCO 527a_100000210304_100000741339 [0,1,0,0,0,1|0,0,2]=4 5524 B16R1.8 O=C(CCCc1ccc(cc1)F)NCCO 240690a_100000210304_100011219804 [0,1,0,0,0,1|0,0,2]=4 5525 B16R1.8 O=C(CCCc1ccc(cc1)F)NCCO 527a_100000210304_100011219804 [0,1,0,0,0,1|0,0,2]=4 5526 B16R1.8 O=C(CCCc1ccc(cc1)I)NCCO 240690a_100000210304_100011236544 [0,1,0,0,0,1|0,0,2]=4 5527 B16R1.8 O=C(CCCc1ccc(cc1)I)NCCO 527a_100000210304_100011236544 [0,1,0,0,0,1|0,0,2]=4 5528 B16R1.8 O=C(CCCc1ccc(cc1)O)NCCO 240690a_100000210304_100000116853 [0,1,0,0,0,1|0,0,2]=4 5529 B16R1.8 O=C(CCCc1ccc(cc1)O)NCCO 527a_100000210304_100000116853 [0,1,0,0,0,1|0,0,2]=4 5530 B16R1.8 O=C(CCOc1ccc(cc1)Br)NCCO 240690a_100000210304_100000738328 [0,1,0,0,0,1|0,0,2]=4 5531 B16R1.8 O=C(CCOc1ccc(cc1)Cl)NCCO 240690a_100000210304_100000186438 [0,1,0,0,0,1|0,0,2]=4 5532 B16R1.8 O=C(CCOc1ccc(cc1)F)NCCO 240690a_100000210304_100000737396 [0,1,0,0,0,1|0,0,2]=4 5533 B16R1.8 O=C(CCSc1ccc(cc1)Br)NCCO 240690a_100000210304_100000208627 [0,1,0,0,0,1|0,0,2]=4 5534 B16R1.8 O=C(CCSc1ccc(cc1)Br)NCCO 527a_100000210304_100000208627 [0,1,0,0,0,1|0,0,2]=4 5535 B16R1.8 O=C(CCSc1ccc(cc1)Cl)NCCO 240690a_100000210304_100000182369 [0,1,0,0,0,1|0,0,2]=4 5536 B16R1.8 O=C(CCSc1ccc(cc1)Cl)NCCO 527a_100000210304_100000182369 [0,1,0,0,0,1|0,0,2]=4 5537 B16R1.8 O=C(CCSc1ccc(cc1)F)NCCO 240690a_100000210304_100000199091 [0,1,0,0,0,1|0,0,2]=4 5538 B16R1.8 O=C(CCSc1ccc(cc1)F)NCCO 527a_100000210304_100000199091 [0,1,0,0,0,1|0,0,2]=4 5539 B16R1.8 O=C(COCc1ccc(cc1)Br)NCCO 527a_100000210304_200012349173 [0,1,0,0,0,1|0,0,2]=4 5540 B16R1.8 O=C(CSCc1ccc(cc1)Br)NCCO 240690a_100000210304_100000150267 [0,1,0,0,0,1|0,0,2]=4 5541 B16R1.8 O=C(CSCc1ccc(cc1)Br)NCCO 527a_100000210304_100000150267 [0,1,0,0,0,1|0,0,2]=4 5542 B16R1.8 O=C(CSCc1ccc(cc1)Cl)NCCO 240690a_100000210304_100000150262 [0,1,0,0,0,1|0,0,2]=4 5543 B16R1.8 O=C(CSCc1ccc(cc1)Cl)NCCO 527a_100000210304_100000150262 [0,1,0,0,0,1|0,0,2]=4 5544 B16R1.8 O=C(CSCc1ccc(cc1)F)NCCO 240690a_100000210304_100000150272 [0,1,0,0,0,1|0,0,2]=4 5545 B16R1.8 O=C(CSCc1ccc(cc1)F)NCCO 527a_100000210304_100000150272 [0,1,0,0,0,1|0,0,2]=4 5546 B16R1.8 O=C(NCCO)NCCc1ccc(cc1)Br 2708a_100000755846_100000210304 [0,1,0,0,0,1|0,0,2]=4 5547 B16R1.8 O=C(NCCO)NCCc1ccc(cc1)Br 273464a_100000210304_100000755846 [0,1,0,0,0,1|0,0,2]=4 5548 B16R1.8 O=C(NCCO)NCCc1ccc(cc1)Br 273464a_100000755846_100000210304 [0,1,0,0,0,1|0,0,2]=4 5549 B16R1.8 O=C(NCCO)NCCc1ccc(cc1)Br 512a_100000755846_100000210304 [0,1,0,0,0,1|0,0,2]=4 5550 B16R1.8 O=C(NCCO)NCCc1ccc(cc1)Cl 2708a_100000185265_100000210304 [0,1,0,0,0,1|0,0,2]=4 5551 B16R1.8 O=C(NCCO)NCCc1ccc(cc1)Cl 273464a_100000185265_100000210304 [0,1,0,0,0,1|0,0,2]=4 5552 B16R1.8 O=C(NCCO)NCCc1ccc(cc1)Cl 273464a_100000210304_100000185265 [0,1,0,0,0,1|0,0,2]=4 5553 B16R1.8 O=C(NCCO)NCCc1ccc(cc1)Cl 512a_100000185265_100000210304 [0,1,0,0,0,1|0,0,2]=4 5554 B16R1.8 O=C(NCCO)NCCc1ccc(cc1)F 2708a_100000199005_100000210304 [0,1,0,0,0,1|0,0,2]=4 5555 B16R1.8 O=C(NCCO)NCCc1ccc(cc1)F 273464a_100000199005_100000210304 [0,1,0,0,0,1|0,0,2]=4 5556 B16R1.8 O=C(NCCO)NCCc1ccc(cc1)F 273464a_100000210304_100000199005 [0,1,0,0,0,1|0,0,2]=4 5557 B16R1.8 O=C(NCCO)NCCc1ccc(cc1)F 512a_100000199005_100000210304 [0,1,0,0,0,1|0,0,2]=4 5558 B16R1.8 O=C(NCCO)NCCc1ccc(cc1)O 2708a_100000743037_100000210304 [0,1,0,0,0,1|0,0,2]=4 5559 B16R1.8 O=C(NCCO)NCCc1ccc(cc1)O 273464a_100000210304_100000743037 [0,1,0,0,0,1|0,0,2]=4 5560 B16R1.8 O=C(NCCO)NCCc1ccc(cc1)O 273464a_100000743037_100000210304 [0,1,0,0,0,1|0,0,2]=4 5561 B16R1.8 O=C(NCCO)NNCc1ccc(cc1)Br 273464a_100000210304_100016993955 [0,1,0,0,0,1|1,0,1]=4 5562 B16R1.8 O=C(NCCO)NNCc1ccc(cc1)Br 512a_100016993955_100000210304 [0,1,0,0,0,1|1,0,1]=4 5563 B16R1.8 O=C(NCCO)NNCc1ccc(cc1)Cl 273464a_100000210304_100000689899 [0,1,0,0,0,1|1,0,1]=4 5564 B16R1.8 O=C(NCCO)NNCc1ccc(cc1)F 273464a_100000210304_100000689900 [0,1,0,0,0,1|1,0,1]=4 5565 B16R1.8 O=C(NCCO)NNCc1ccc(cc1)I 273464a_100000210304_102495363730 [0,1,0,0,0,1|1,0,1]=4 5566 B16R1.8 O=C(NCCO)NNCc1ccc(cc1)I 512a_102495363730_100000210304 [0,1,0,0,0,1|1,0,1]=4 5567 B16R1.119 Cc1cccc(c1)CCNC(=O)NCCO 2708a_100000749837_100000210304 [0,1,0,0,0,1|0,0,2]=4 5568 B16R1.119 Cc1cccc(c1)CCNC(=O)NCCO 273464a_100000210304_100000749837 [0,1,0,0,0,1|0,0,2]=4 5569 B16R1.119 Cc1cccc(c1)CCNC(=O)NCCO 273464a_100000749837_100000210304 [0,1,0,0,0,1|0,0,2]=4 5570 B16R1.119 Cc1cccc(c1)CCNC(=O)NCCO 512a_100000749837_100000210304 [0,1,0,0,0,1|0,0,2]=4 5571 B16R1.119 Cc1cccc(c1)CNNC(=O)NCCO 273464a_100000210304_100000689898 [0,1,0,0,0,1|1,0,1]=4 5572 B16R1.119 Cc1cccc(c1)CNNC(=O)NCCO 512a_100000689898_100000210304 [0,1,0,0,0,1|1,0,1]=4 5573 B16R1.119 Cc1cccc(c1)OCCC(=O)NCCO 240690a_100000210304_100000182325 [0,1,0,0,0,1|0,0,2]=4 5574 B16R1.119 O=C(CCCc1cccc(c1)Br)NCCO 240690a_100000210304_100000685939 [0,1,0,0,0,1|0,0,2]=4 5575 B16R1.119 O=C(CCCc1cccc(c1)Br)NCCO 527a_100000210304_100000685939 [0,1,0,0,0,1|0,0,2]=4 5576 B16R1.119 O=C(CCOc1cccc(c1)Br)NCCO 240690a_100000210304_100000183437 [0,1,0,0,0,1|0,0,2]=4 5577 B16R1.119 O=C(CCOc1cccc(c1)Cl)NCCO 240690a_100000210304_100000738917 [0,1,0,0,0,1|0,0,2]=4 5578 B16R1.119 O=C(CCOc1cccc(c1)F)NCCO 240690a_100000210304_100000737089 [0,1,0,0,0,1|0,0,2]=4 5579 B16R1.119 O=C(CSCc1cccc(c1)Cl)NCCO 240690a_100000210304_100000150269 [0,1,0,0,0,1|0,0,2]=4 5580 B16R1.119 O=C(CSCc1cccc(c1)Cl)NCCO 527a_100000210304_100000150269 [0,1,0,0,0,1|0,0,2]=4 5581 B16R1.119 O=C(NCCO)NCCc1cccc(c1)Br 2708a_100011207229_100000210304 [0,1,0,0,0,1|0,0,2]=4 5582 B16R1.119 O=C(NCCO)NCCc1cccc(c1)Br 273464a_100000210304_100011207229 [0,1,0,0,0,1|0,0,2]=4 5583 B16R1.119 O=C(NCCO)NCCc1cccc(c1)Br 273464a_100011207229_100000210304 [0,1,0,0,0,1|0,0,2]=4 5584 B16R1.119 O=C(NCCO)NCCc1cccc(c1)Br 512a_100011207229_100000210304 [0,1,0,0,0,1|0,0,2]=4 5585 B16R1.119 O=C(NCCO)NCCc1cccc(c1)Cl 2708a_100000185263_100000210304 [0,1,0,0,0,1|0,0,2]=4 5586 B16R1.119 O=C(NCCO)NCCc1cccc(c1)Cl 273464a_100000185263_100000210304 [0,1,0,0,0,1|0,0,2]=4 5587 B16R1.119 O=C(NCCO)NCCc1cccc(c1)Cl 273464a_100000210304_100000185263 [0,1,0,0,0,1|0,0,2]=4 5588 B16R1.119 O=C(NCCO)NCCc1cccc(c1)Cl 512a_100000185263_100000210304 [0,1,0,0,0,1|0,0,2]=4 5589 B16R1.119 O=C(NCCO)NCCc1cccc(c1)F 2708a_100000205154_100000210304 [0,1,0,0,0,1|0,0,2]=4 5590 B16R1.119 O=C(NCCO)NCCc1cccc(c1)F 273464a_100000205154_100000210304 [0,1,0,0,0,1|0,0,2]=4 5591 B16R1.119 O=C(NCCO)NCCc1cccc(c1)F 273464a_100000210304_100000205154 [0,1,0,0,0,1|0,0,2]=4 5592 B16R1.119 O=C(NCCO)NCCc1cccc(c1)F 512a_100000205154_100000210304 [0,1,0,0,0,1|0,0,2]=4 5593 B16R1.119 O=C(NCCO)NCCc1cccc(c1)O 2708a_100000747277_100000210304 [0,1,0,0,0,1|0,0,2]=4 5594 B16R1.119 O=C(NCCO)NCCc1cccc(c1)O 273464a_100000210304_100000747277 [0,1,0,0,0,1|0,0,2]=4 5595 B16R1.119 O=C(NCCO)NCCc1cccc(c1)O 273464a_100000747277_100000210304 [0,1,0,0,0,1|0,0,2]=4 5596 B16R1.119 O=C(NCCO)NCCc1cccc(c1)O 512a_100000747277_100000210304 [0,1,0,0,0,1|0,0,2]=4 5597 B16R1.119 O=C(NCCO)NNCc1cccc(c1)Br 273464a_100000210304_100000686200 [0,1,0,0,0,1|1,0,1]=4 5598 B16R1.119 O=C(NCCO)NNCc1cccc(c1)Br 512a_100000686200_100000210304 [0,1,0,0,0,1|1,0,1]=4 5599 B16R1.119 O=C(NCCO)NNCc1cccc(c1)Cl 273464a_100000210304_100000685877 [0,1,0,0,0,1|1,0,1]=4 5600 B16R1.119 O=C(NCCO)NNCc1cccc(c1)Cl 512a_100000685877_100000210304 [0,1,0,0,0,1|1,0,1]=4 5601 B16R1.119 O=C(NCCO)NNCc1cccc(c1)F 273464a_100000210304_100016993953 [0,1,0,0,0,1|1,0,1]=4 5602 B16R1.119 O=C(NCCO)NNCc1cccc(c1)F 512a_100016993953_100000210304 [0,1,0,0,0,1|1,0,1]=4 5603 B16R1.700 CC(CNC(=O)NCCO)c1ccccc1 2708a_100000701038_100000210304 [0,1,0,0,0,1|0,0,2]=4 5604 B16R1.700 CC(CNC(=O)NCCO)c1ccccc1 273464a_100000210304_100000701038 [0,1,0,0,0,1|0,0,2]=4 5605 B16R1.700 CC(CNC(=O)NCCO)c1ccccc1 273464a_100000701038_100000210304 [0,1,0,0,0,1|0,0,2]=4 5606 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 11a_100000174927_100000185807 [0,1,0,0,0,1|1,0,1]=4 5607 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 11a_100020643023_100000182045 [0,1,0,0,0,1|1,0,1]=4 5608 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 1626a_100000174927_100000185807 [0,1,0,0,0,1|1,0,1]=4 5609 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 1626a_100020643023_100000182045 [0,1,0,0,0,1|1,0,1]=4 5610 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 240690a_100000174927_100000185807 [0,1,0,0,0,1|1,0,1]=4 5611 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 240690a_100020643023_100000182045 [0,1,0,0,0,1|1,0,1]=4 5612 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 527a_100000174927_100000185807 [0,1,0,0,0,1|1,0,1]=4 5613 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 527a_100020643023_100000182045 [0,1,0,0,0,1|1,0,1]=4 5614 B16R1.700 CCCNC(=O)CSC(=S)c1ccccc1 1626a_100020643023_100000043459 [0,1,0,0,0,1|1,0,1]=4 5615 B16R1.700 CCCNC(=O)CSC(=S)c1ccccc1 240690a_100020643023_100000043459 [0,1,0,0,0,1|1,0,1]=4 5616 B16R1.700 CCCNC(=O)CSC(=S)c1ccccc1 527a_100020643023_100000043459 [0,1,0,0,0,1|1,0,1]=4 5617 B16R1.700 CCCNC(=O)NNC(=O)c1ccccc1 273464a_100020643023_100000184135 [0,1,0,0,0,1|2,0,0]=4 5618 B16R1.700 CCCNC(=O)NNC(=O)c1ccccc1 512a_100000184135_100020643023 [0,1,0,0,0,1|2,0,0]=4 5619 B16R1.700 O=C(CCCO)CNC(=O)c1ccccc1 1458a_100000182045_100011215043 [0,1,0,0,0,1|1,0,1]=4 5620 B16R1.700 O=C(CCCO)CSC(=S)c1ccccc1 1458a_100000043459_100011215043 [0,1,0,0,0,1|1,0,1]=4 5621 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 11a_100000724931_100000182045 [0,1,0,0,0,1|1,0,1]=4 5622 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 11a_100000725713_100000185807 [0,1,0,0,0,1|1,0,1]=4 5623 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 1626a_100000724931_100000182045 [0,1,0,0,0,1|1,0,1]=4 5624 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 1626a_100000725713_100000185807 [0,1,0,0,0,1|1,0,1]=4 5625 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 240690a_100000724931_100000182045 [0,1,0,0,0,1|1,0,1]=4 5626 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 240690a_100000725713_100000185807 [0,1,0,0,0,1|1,0,1]=4 5627 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 527a_100000724931_100000182045 [0,1,0,0,0,1|1,0,1]=4 5628 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 527a_100000725713_100000185807 [0,1,0,0,0,1|1,0,1]=4 5629 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCO 240690a_100000210304_100000182045 [0,1,0,0,0,1|0,0,1]=3 5630 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCO 527a_100000210304_100000182045 [0,1,0,0,0,1|0,0,1]=3 5631 B16R1.700 O=C(CNC(=O)c1cccnc1)NCCO 240690a_100000210304_100000688122 [0,1,0,0,0,1|1,0,1]=4 5632 B16R1.700 O=C(CNC(=O)c1cccnc1)NCCO 527a_100000210304_100000688122 [0,1,0,0,0,1|1,0,1]=4 5633 B16R1.700 O=C(CSC(=S)c1ccccc1)NCCF 1626a_100000724931_100000043459 [0,1,0,0,0,1|1,0,1]=4 5634 B16R1.700 O=C(CSC(=S)c1ccccc1)NCCF 240690a_100000724931_100000043459 [0,1,0,0,0,1|1,0,1]=4 5635 B16R1.700 O=C(CSC(=S)c1ccccc1)NCCF 527a_100000724931_100000043459 [0,1,0,0,0,1|1,0,1]=4 5636 B16R1.700 O=C(CSC(=S)c1ccccc1)NCCO 240690a_100000210304_100000043459 [0,1,0,0,0,1|0,0,1]=3 5637 B16R1.700 O=C(CSC(=S)c1ccccc1)NCCO 527a_100000210304_100000043459 [0,1,0,0,0,1|0,0,1]=3 5638 B16R1.700 O=C(NCCF)NNC(=O)c1ccccc1 273464a_100000724931_100000184135 [0,1,0,0,0,1|2,0,0]=4 5639 B16R1.700 O=C(NCCF)NNC(=O)c1ccccc1 512a_100000184135_100000724931 [0,1,0,0,0,1|2,0,0]=4 5640 B16R1.700 O=C(NCCO)NCC(O)c1ccccc1 273464a_100000210304_100000210709 [0,1,0,0,0,1|0,0,2]=4 5641 B16R1.700 O=C(NCCO)NCC(O)c1ccccc1 273464a_100000210709_100000210304 [0,1,0,0,0,1|0,0,2]=4 5642 B16R1.700 O=C(NCCO)NNC(=O)c1ccccc1 273464a_100000210304_100000184135 [0,1,0,0,0,1|1,0,0]=3 5643 B16R1.700 O=C(NCCO)NNC(=O)c1ccccc1 512a_100000184135_100000210304 [0,1,0,0,0,1|1,0,0]=3 5644 B16R1.700 O=C(NCCO)NNC(=O)c1ccccn1 273464a_100000210304_100000184044 [0,1,0,0,0,1|2,0,0]=4 5645 B16R1.700 O=C(NCCO)NNC(=O)c1cccnc1 273464a_100000210304_100000189771 [0,1,0,0,0,1|2,0,0]=4 5646 B16R1.700 O=C(NCCO)NNC(=O)c1ccncc1 273464a_100000210304_100000189768 [0,1,0,0,0,1|2,0,0]=4 5647 B16R1.849 C#CC(C)NC(=O)C/C=C/c1ccccc1 11a_100000707721_100011219626 [0,1,0,0,0,1|1,0,1]=4 5648 B16R1.849 C#CC(C)NC(=O)C/C=C/c1ccccc1 1626a_100000707721_100011219626 [0,1,0,0,0,1|1,0,1]=4 5649 B16R1.849 C#CC(C)NC(=O)C/C=C/c1ccccc1 240690a_100000707721_100011219626 [0,1,0,0,0,1|1,0,1]=4 5650 B16R1.849 C#CC(C)NC(=O)C=CSc1ccccc1 11a_100000707721_100016262050 [0,1,0,0,0,1|1,0,1]=4 5651 B16R1.849 C#CC(C)NC(=O)C=CSc1ccccc1 1626a_100000707721_100016262050 [0,1,0,0,0,1|1,0,1]=4 5652 B16R1.849 C#CC(C)NC(=O)C=CSc1ccccc1 240690a_100000707721_100016262050 [0,1,0,0,0,1|1,0,1]=4 5653 B16R1.849 CC(C#N)NC(=O)C/C=C/c1ccccc1 11a_100000737613_100011219626 [0,1,0,0,0,1|1,0,1]=4 5654 B16R1.849 CC(C#N)NC(=O)C/C=C/c1ccccc1 1626a_100000737613_100011219626 [0,1,0,0,0,1|1,0,1]=4 5655 B16R1.849 CC(C#N)NC(=O)C=CSc1ccccc1 11a_100000737613_100016262050 [0,1,0,0,0,1|1,0,1]=4 5656 B16R1.849 CC(C#N)NC(=O)C=CSc1ccccc1 1626a_100000737613_100016262050 [0,1,0,0,0,1|1,0,1]=4 5657 B16R1.849 CCC(C)CC(=O)C/C=C/c1ccccc1 1458a_100000708755_100016265936 [0,1,0,0,0,1|2,0,0]=4 5658 B16R1.849 CCC(C)CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000748023 [0,1,0,0,0,1|2,0,0]=4 5659 B16R1.849 CCC(C)CC(=O)C=CSc1ccccc1 1458a_100016262050_100000748023 [0,1,0,0,0,1|2,0,0]=4 5660 B16R1.849 CCC(C)NC(=O)C/C=C/c1ccccc1 11a_100000209981_100011219626 [0,1,0,0,0,1|1,0,0]=3 5661 B16R1.849 CCC(C)NC(=O)C/C=C/c1ccccc1 1626a_100000209981_100011219626 [0,1,0,0,0,1|1,0,0]=3 5662 B16R1.849 CCC(C)NC(=O)C/C=C/c1ccccc1 240690a_100000209981_100011219626 [0,1,0,0,0,1|1,0,0]=3 5663 B16R1.849 CCC(C)NC(=O)C=CSc1ccccc1 11a_100000209981_100016262050 [0,1,0,0,0,1|1,0,0]=3 5664 B16R1.849 CCC(C)NC(=O)C=CSc1ccccc1 1626a_100000209981_100016262050 [0,1,0,0,0,1|1,0,0]=3 5665 B16R1.849 CCC(C)NC(=O)C=CSc1ccccc1 240690a_100000209981_100016262050 [0,1,0,0,0,1|1,0,0]=3 5666 B16R1.849 CCC(O)CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011218378 [0,1,0,0,0,1|2,0,0]=4 5667 B16R1.849 CCC(O)CC(=O)C/C=C/c1ccccc1 1458a_100011667805_100016265936 [0,1,0,0,0,1|2,0,0]=4 5668 B16R1.849 CCC(O)CC(=O)C=CSc1ccccc1 1458a_100016262050_100011218378 [0,1,0,0,0,1|2,0,0]=4 5669 B16R1.849 CC[C@H](C)CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100009816398 [0,1,0,0,0,1|2,0,0]=4 5670 B16R1.849 CC[C@H](C)CC(=O)C=CSc1ccccc1 1458a_100016262050_100009816398 [0,1,0,0,0,1|2,0,0]=4 5671 B16R1.849 C[C@@H](CO)CC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000059175 [0,1,0,0,0,1|1,0,0]=3 5672 B16R1.849 C[C@@H](CO)CC(=O)C=CSc1ccccc1 1458a_100016262050_100000059175 [0,1,0,0,0,1|1,0,0]=3 5673 B16R1.849 C[C@H](CF)NC(=O)C/C=C/c1ccccc1 11a_100102880703_100011219626 [0,1,0,0,0,1|1,0,0]=3 5674 B16R1.849 C[C@H](CF)NC(=O)C/C=C/c1ccccc1 1626a_100102880703_100011219626 [0,1,0,0,0,1|1,0,0]=3 5675 B16R1.849 C[C@H](CF)NC(=O)C/C=C/c1ccccc1 240690a_100102880703_100011219626 [0,1,0,0,0,1|1,0,0]=3 5676 B16R1.849 C[C@H](CF)NC(=O)C=CSc1ccccc1 11a_100102880703_100016262050 [0,1,0,0,0,1|1,0,0]=3 5677 B16R1.849 C[C@H](CF)NC(=O)C=CSc1ccccc1 1626a_100102880703_100016262050 [0,1,0,0,0,1|1,0,0]=3 5678 B16R1.849 C[C@H](CF)NC(=O)C=CSc1ccccc1 240690a_100102880703_100016262050 [0,1,0,0,0,1|1,0,0]=3 5679 B16R1.849 C[C@H](CO)NC(=O)C/C=C/c1ccccc1 240690a_100000737577_100011219626 [0,1,0,0,0,1|0,0,0]=2 5680 B16R1.849 C[C@H](CO)NC(=O)C=CSc1ccccc1 240690a_100000737577_100016262050 [0,1,0,0,0,1|0,0,0]=2 5681 B16R1.849 C[C@H](CO)NC(=O)CCCc1ccccc1 240690a_100000737577_100011207963 [0,1,0,0,0,1|0,0,2]=4 5682 B16R1.849 C[C@H](CO)NC(=O)CCCc1ccccc1 527a_100000737577_100011207963 [0,1,0,0,0,1|0,0,2]=4 5683 B16R1.849 C[C@H](CO)NC(=O)CCOc1ccccc1 240690a_100000737577_100000182761 [0,1,0,0,0,1|0,0,2]=4 5684 B16R1.849 C[C@H](CO)NC(=O)CCSc1ccccc1 240690a_100000737577_100000182436 [0,1,0,0,0,1|0,0,2]=4 5685 B16R1.849 C[C@H](CO)NC(=O)COCc1ccccc1 240690a_100000737577_100000230186 [0,1,0,0,0,1|0,0,2]=4 5686 B16R1.849 C[C@H](CO)NC(=O)COCc1ccccc1 527a_100000737577_100000230186 [0,1,0,0,0,1|0,0,2]=4 5687 B16R1.849 C[C@H](CO)NC(=O)CSCc1ccccc1 240690a_100000737577_100000150264 [0,1,0,0,0,1|0,0,2]=4 5688 B16R1.849 C[C@H](CO)NC(=O)CSCc1ccccc1 527a_100000737577_100000150264 [0,1,0,0,0,1|0,0,2]=4 5689 B16R1.849 C[C@H](CO)NC(=O)NCCc1ccccc1 2708a_100000106460_100000737577 [0,1,0,0,0,1|0,0,2]=4 5690 B16R1.849 C[C@H](CO)NC(=O)NCCc1ccccc1 273464a_100000737577_100000106460 [0,1,0,0,0,1|0,0,2]=4 5691 B16R1.849 C[C@H](CO)NC(=O)NCCc1ccccc1 512a_100000106460_100000737577 [0,1,0,0,0,1|0,0,2]=4 5692 B16R1.849 C[C@H](CO)NC(=O)NCCc1ccccc1 512a_100000737577_100000106460 [0,1,0,0,0,1|0,0,2]=4 5693 B16R1.849 C[C@H](CO)NC(=O)NNCc1ccccc1 273464a_100000737577_100000007032 [0,1,0,0,0,1|1,0,1]=4 5694 B16R1.849 C[C@H](CO)NC(=O)NNCc1ccccc1 512a_100000737577_100000007032 [0,1,0,0,0,1|1,0,1]=4 5695 B16R1.1497 CCCNC(=O)CC(=O)Oc1ccccc1 240690a_100020643023_200000075362 [0,1,0,0,0,1|1,0,1]=4 5696 B16R1.1497 CN(CC(=O)NCCO)Cc1ccccc1 240690a_100000210304_100000745601 [0,1,0,0,0,1|0,0,2]=4 5697 B16R1.1497 CN(CC(=O)NCCO)Cc1ccccc1 527a_100000210304_100000745601 [0,1,0,0,0,1|0,0,2]=4 5698 B16R1.1497 O=C(CC(=O)Oc1ccccc1)NCCF 240690a_100000724931_200000075362 [0,1,0,0,0,1|1,0,1]=4 5699 B16R1.1497 O=C(CC(=O)Oc1ccccc1)NCCO 240690a_100000210304_200000075362 [0,1,0,0,0,1|0,0,1]=3 5700 B16R1.1516 CC(CCc1ccccc1)C(=O)NCCO 240690a_100000210304_100011435293 [0,1,0,0,0,1|0,0,2]=4 5701 B16R1.1516 CC(CCc1ccccc1)C(=O)NCCO 527a_100000210304_100011435293 [0,1,0,0,0,1|0,0,2]=4 5702 B16R1.1516 CC(SCc1ccccc1)C(=O)NCCO 240690a_100000210304_100000149570 [0,1,0,0,0,1|0,0,2]=4 5703 B16R1.1516 CC(SCc1ccccc1)C(=O)NCCO 527a_100000210304_100000149570 [0,1,0,0,0,1|0,0,2]=4 5704 B16R1.1516 CCCNC(=O)C(=O)CCc1ccccc1 1458a_200011297150_100000765856 [0,1,0,0,0,1|1,0,1]=4 5705 B16R1.1516 CCCNC(=O)C(=O)NCc1ccccc1 1626a_100015324214_200011297150 [0,1,0,0,0,1|1,0,1]=4 5706 B16R1.1516 CCCNC(=O)C(=O)NCc1ccccc1 240690a_100015324214_200011297150 [0,1,0,0,0,1|1,0,1]=4 5707 B16R1.1516 CCCNC(=O)C(=O)NCc1ccccc1 527a_100015324214_200011297150 [0,1,0,0,0,1|1,0,1]=4 5708 B16R1.1516 CCCNC(=O)C(=O)NNc1ccccc1 22a_100015195140_200011297150 [0,1,0,0,0,1|2,0,0]=4 5709 B16R1.1516 CN(CCc1ccccc1)C(=O)NCCO 273464a_100000210304_100000207497 [0,1,0,0,0,1|0,0,2]=4 5710 B16R1.1516 C[C@H](OCc1ccccc1)C(=O)NCCO 240690a_100000210304_100000703211 [0,1,0,0,0,1|0,0,2]=4 5711 B16R1.1516 C[C@H](OCc1ccccc1)C(=O)NCCO 527a_100000210304_100000703211 [0,1,0,0,0,1|0,0,2]=4 5712 B16R1.1516 O=C(NCCO)C(O)CCc1ccccc1 240690a_100000210304_100000242596 [0,1,0,0,0,1|0,0,2]=4 5713 B16R1.1694 C#CCCCC(=O)C/C=C/c1ccccc1 1458a_100000690238_100016265936 [0,1,0,0,0,1|2,0,0]=4 5714 B16R1.1694 C#CCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000731252 [0,1,0,0,0,1|2,0,0]=4 5715 B16R1.1694 C#CCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000731252 [0,1,0,0,0,1|2,0,0]=4 5716 B16R1.1694 C#CCCNC(=O)C/C=C/c1ccccc1 11a_100000755551_100011219626 [0,1,0,0,0,1|1,0,0]=3 5717 B16R1.1694 C#CCCNC(=O)C/C=C/c1ccccc1 1626a_100000755551_100011219626 [0,1,0,0,0,1|1,0,0]=3 5718 B16R1.1694 C#CCCNC(=O)C/C=C/c1ccccc1 240690a_100000755551_100011219626 [0,1,0,0,0,1|1,0,0]=3 5719 B16R1.1694 C#CCCNC(=O)C=CSc1ccccc1 11a_100000755551_100016262050 [0,1,0,0,0,1|1,0,0]=3 5720 B16R1.1694 C#CCCNC(=O)C=CSc1ccccc1 1626a_100000755551_100016262050 [0,1,0,0,0,1|1,0,0]=3 5721 B16R1.1694 C#CCCNC(=O)C=CSc1ccccc1 240690a_100000755551_100016262050 [0,1,0,0,0,1|1,0,0]=3 5722 B16R1.1694 C=CCCCC(=O)C/C=C/c1ccccc1 1458a_100000766728_100016265936 [0,1,0,0,0,1|2,0,0]=4 5723 B16R1.1694 C=CCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000757094 [0,1,0,0,0,1|2,0,0]=4 5724 B16R1.1694 C=CCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000757094 [0,1,0,0,0,1|2,0,0]=4 5725 B16R1.1694 C=CCCNC(=O)C/C=C/c1ccccc1 11a_100015191253_100011219626 [0,1,0,0,0,1|1,0,0]=3 5726 B16R1.1694 C=CCCNC(=O)C/C=C/c1ccccc1 1626a_100015191253_100011219626 [0,1,0,0,0,1|1,0,0]=3 5727 B16R1.1694 C=CCCNC(=O)C/C=C/c1ccccc1 240690a_100015191253_100011219626 [0,1,0,0,0,1|1,0,0]=3 5728 B16R1.1694 C=CCCNC(=O)C=CSc1ccccc1 11a_100015191253_100016262050 [0,1,0,0,0,1|1,0,0]=3 5729 B16R1.1694 C=CCCNC(=O)C=CSc1ccccc1 1626a_100015191253_100016262050 [0,1,0,0,0,1|1,0,0]=3 5730 B16R1.1694 C=CCCNC(=O)C=CSc1ccccc1 240690a_100015191253_100016262050 [0,1,0,0,0,1|1,0,0]=3 5731 B16R1.1694 C=CCNNC(=O)C/C=C/c1ccccc1 22a_100020588587_100011219626 [0,1,0,0,0,1|1,0,1]=4 5732 B16R1.1694 C=CCNNC(=O)C=CSc1ccccc1 22a_100020588587_100016262050 [0,1,0,0,0,1|1,0,1]=4 5733 B16R1.1694 CC#CCNC(=O)C/C=C/c1ccccc1 11a_100000685387_100011219626 [0,1,0,0,0,1|1,0,1]=4 5734 B16R1.1694 CC#CCNC(=O)C/C=C/c1ccccc1 1626a_100000685387_100011219626 [0,1,0,0,0,1|1,0,1]=4 5735 B16R1.1694 CC#CCNC(=O)C=CSc1ccccc1 11a_100000685387_100016262050 [0,1,0,0,0,1|1,0,1]=4 5736 B16R1.1694 CC#CCNC(=O)C=CSc1ccccc1 1626a_100000685387_100016262050 [0,1,0,0,0,1|1,0,1]=4 5737 B16R1.1694 CCCC#CC(=O)C/C=C/c1ccccc1 1458a_200011218047_100016265936 [0,1,0,0,0,1|2,0,0]=4 5738 B16R1.1694 CCCC=CC(=O)C/C=C/c1ccccc1 1458a_100000212230_100016265936 [0,1,0,0,0,1|2,0,0]=4 5739 B16R1.1694 CCCCCC(=O)C/C=C/c1ccccc1 1458a_100000212188_100016265936 [0,1,0,0,0,1|2,0,0]=4 5740 B16R1.1694 CCCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210326 [0,1,0,0,0,1|2,0,0]=4 5741 B16R1.1694 CCCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210326 [0,1,0,0,0,1|2,0,0]=4 5742 B16R1.1694 CCCCNC(=O)C/C=C/c1ccccc1 11a_100000102301_100011219626 [0,1,0,0,0,1|1,0,0]=3 5743 B16R1.1694 CCCCNC(=O)C/C=C/c1ccccc1 1626a_100000102301_100011219626 [0,1,0,0,0,1|1,0,0]=3 5744 B16R1.1694 CCCCNC(=O)C/C=C/c1ccccc1 240690a_100000102301_100011219626 [0,1,0,0,0,1|1,0,0]=3 5745 B16R1.1694 CCCCNC(=O)C=CSc1ccccc1 11a_100000102301_100016262050 [0,1,0,0,0,1|1,0,0]=3 5746 B16R1.1694 CCCCNC(=O)C=CSc1ccccc1 1626a_100000102301_100016262050 [0,1,0,0,0,1|1,0,0]=3 5747 B16R1.1694 CCCCNC(=O)C=CSc1ccccc1 240690a_100000102301_100016262050 [0,1,0,0,0,1|1,0,0]=3 5748 B16R1.1694 CCCNNC(=O)C/C=C/c1ccccc1 22a_100000740057_100011219626 [0,1,0,0,0,1|1,0,0]=3 5749 B16R1.1694 CCCNNC(=O)C=CSc1ccccc1 22a_100000740057_100016262050 [0,1,0,0,0,1|1,0,0]=3 5750 B16R1.1694 CCCOCC(=O)C/C=C/c1ccccc1 1458a_100000745993_100016265936 [0,1,0,0,0,1|2,0,0]=4 5751 B16R1.1694 CCCSCC(=O)C/C=C/c1ccccc1 1458a_100000217233_100016265936 [0,1,0,0,0,1|2,0,0]=4 5752 B16R1.1694 CCOCCC(=O)C/C=C/c1ccccc1 1458a_100000749530_100016265936 [0,1,0,0,0,1|2,0,0]=4 5753 B16R1.1694 CCOCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100011215890 [0,1,0,0,0,1|2,0,0]=4 5754 B16R1.1694 CCOCCC(=O)C=CSc1ccccc1 1458a_100016262050_100011215890 [0,1,0,0,0,1|2,0,0]=4 5755 B16R1.1694 CCSCCC(=O)C/C=C/c1ccccc1 1458a_100000230768_100016265936 [0,1,0,0,0,1|2,0,0]=4 5756 B16R1.1694 CCSCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000757381 [0,1,0,0,0,1|2,0,0]=4 5757 B16R1.1694 CCSCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000757381 [0,1,0,0,0,1|2,0,0]=4 5758 B16R1.1694 COCC=CC(=O)C/C=C/c1ccccc1 1458a_100016285016_100016265936 [0,1,0,0,0,1|1,0,1]=4 5759 B16R1.1694 COCCCC(=O)C/C=C/c1ccccc1 1458a_100000741012_100016265936 [0,1,0,0,0,1|1,0,0]=3 5760 B16R1.1694 COCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000740836 [0,1,0,0,0,1|1,0,0]=3 5761 B16R1.1694 COCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000740836 [0,1,0,0,0,1|1,0,0]=3 5762 B16R1.1694 COCCNC(=O)C/C=C/c1ccccc1 1626a_100000209980_100011219626 [0,1,0,0,0,1|0,0,0]=2 5763 B16R1.1694 COCCNC(=O)C/C=C/c1ccccc1 240690a_100000209980_100011219626 [0,1,0,0,0,1|0,0,0]=2 5764 B16R1.1694 COCCNC(=O)C=CSc1ccccc1 1626a_100000209980_100016262050 [0,1,0,0,0,1|0,0,0]=2 5765 B16R1.1694 COCCNC(=O)C=CSc1ccccc1 240690a_100000209980_100016262050 [0,1,0,0,0,1|0,0,0]=2 5766 B16R1.1694 COCCNC(=O)CCCc1ccccc1 1626a_100000209980_100011207963 [0,1,0,0,0,1|0,0,2]=4 5767 B16R1.1694 COCCNC(=O)CCCc1ccccc1 240690a_100000209980_100011207963 [0,1,0,0,0,1|0,0,2]=4 5768 B16R1.1694 COCCNC(=O)CCCc1ccccc1 527a_100000209980_100011207963 [0,1,0,0,0,1|0,0,2]=4 5769 B16R1.1694 COCCNC(=O)CCOc1ccccc1 1626a_100000209980_100000182761 [0,1,0,0,0,1|0,0,2]=4 5770 B16R1.1694 COCCNC(=O)CCOc1ccccc1 240690a_100000209980_100000182761 [0,1,0,0,0,1|0,0,2]=4 5771 B16R1.1694 COCCNC(=O)CCSc1ccccc1 1626a_100000209980_100000182436 [0,1,0,0,0,1|0,0,2]=4 5772 B16R1.1694 COCCNC(=O)CCSc1ccccc1 240690a_100000209980_100000182436 [0,1,0,0,0,1|0,0,2]=4 5773 B16R1.1694 COCCNC(=O)CNCc1ccccc1 207a_100000754632_100015611070 [0,1,0,0,0,1|0,0,2]=4 5774 B16R1.1694 COCCNC(=O)CNCc1ccccc1 2230a_100000754632_100015291786 [0,1,0,0,0,1|0,0,2]=4 5775 B16R1.1694 COCCNC(=O)CNCc1ccccc1 2230a_100015324214_100000183275 [0,1,0,0,0,1|0,0,2]=4 5776 B16R1.1694 COCCNC(=O)CNCc1ccccc1 34a_100015324214_100000183275 [0,1,0,0,0,1|0,0,2]=4 5777 B16R1.1694 COCCNC(=O)COCc1ccccc1 1626a_100000209980_100000230186 [0,1,0,0,0,1|0,0,2]=4 5778 B16R1.1694 COCCNC(=O)COCc1ccccc1 240690a_100000209980_100000230186 [0,1,0,0,0,1|0,0,2]=4 5779 B16R1.1694 COCCNC(=O)COCc1ccccc1 34a_100000210790_100000183275 [0,1,0,0,0,1|0,0,2]=4 5780 B16R1.1694 COCCNC(=O)COCc1ccccc1 527a_100000209980_100000230186 [0,1,0,0,0,1|0,0,2]=4 5781 B16R1.1694 COCCNC(=O)COCc1ccccc1 7a_100000210790_100000183275 [0,1,0,0,0,1|0,0,2]=4 5782 B16R1.1694 COCCNC(=O)CSCc1ccccc1 1626a_100000209980_100000150264 [0,1,0,0,0,1|0,0,2]=4 5783 B16R1.1694 COCCNC(=O)CSCc1ccccc1 240690a_100000209980_100000150264 [0,1,0,0,0,1|0,0,2]=4 5784 B16R1.1694 COCCNC(=O)CSCc1ccccc1 527a_100000209980_100000150264 [0,1,0,0,0,1|0,0,2]=4 5785 B16R1.1694 COCCNC(=O)CSCc1ccccc1 62a_100000183275_100015291786 [0,1,0,0,0,1|0,0,2]=4 5786 B16R1.1694 COCCNC(=O)CSCc1ccccc1 62a_100000211182_100000183275 [0,1,0,0,0,1|0,0,2]=4 5787 B16R1.1694 COCCNC(=O)NCCc1ccccc1 2708a_100000106460_100000209980 [0,1,0,0,0,1|0,0,2]=4 5788 B16R1.1694 COCCNC(=O)NCCc1ccccc1 273464a_100000106460_100000209980 [0,1,0,0,0,1|0,0,2]=4 5789 B16R1.1694 COCCNC(=O)NCCc1ccccc1 273464a_100000209980_100000106460 [0,1,0,0,0,1|0,0,2]=4 5790 B16R1.1694 COCCNC(=O)NNCc1ccccc1 273464a_100000209980_100000007032 [0,1,0,0,0,1|1,0,1]=4 5791 B16R1.1694 CSCCCC(=O)C/C=C/c1ccccc1 1458a_100000173376_100016265936 [0,1,0,0,0,1|1,1,0]=4 5792 B16R1.1694 CSCCNC(=O)C/C=C/c1ccccc1 11a_100020590264_100011219626 [0,1,0,0,0,1|0,1,0]=3 5793 B16R1.1694 CSCCNC(=O)C/C=C/c1ccccc1 1626a_100020590264_100011219626 [0,1,0,0,0,1|0,1,0]=3 5794 B16R1.1694 CSCCNC(=O)C/C=C/c1ccccc1 240690a_100020590264_100011219626 [0,1,0,0,0,1|0,1,0]=3 5795 B16R1.1694 CSCCNC(=O)C=CSc1ccccc1 11a_100020590264_100016262050 [0,1,0,0,0,1|0,1,0]=3 5796 B16R1.1694 CSCCNC(=O)C=CSc1ccccc1 1626a_100020590264_100016262050 [0,1,0,0,0,1|0,1,0]=3 5797 B16R1.1694 CSCCNC(=O)C=CSc1ccccc1 240690a_100020590264_100016262050 [0,1,0,0,0,1|0,1,0]=3 5798 B16R1.1694 N#CCCCC(=O)C/C=C/c1ccccc1 1458a_100000075515_100016265936 [0,1,0,0,0,1|2,0,0]=4 5799 B16R1.1694 N#CCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000211468 [0,1,0,0,0,1|2,0,0]=4 5800 B16R1.1694 N#CCCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000211468 [0,1,0,0,0,1|2,0,0]=4 5801 B16R1.1694 N#CCCNC(=O)C/C=C/c1ccccc1 11a_100000720768_100011219626 [0,1,0,0,0,1|1,0,0]=3 5802 B16R1.1694 N#CCCNC(=O)C/C=C/c1ccccc1 1626a_100000720768_100011219626 [0,1,0,0,0,1|1,0,0]=3 5803 B16R1.1694 N#CCCNC(=O)C/C=C/c1ccccc1 240690a_100000720768_100011219626 [0,1,0,0,0,1|1,0,0]=3 5804 B16R1.1694 N#CCCNC(=O)C=CSc1ccccc1 11a_100000720768_100016262050 [0,1,0,0,0,1|1,0,0]=3 5805 B16R1.1694 N#CCCNC(=O)C=CSc1ccccc1 1626a_100000720768_100016262050 [0,1,0,0,0,1|1,0,0]=3 5806 B16R1.1694 N#CCCNC(=O)C=CSc1ccccc1 240690a_100000720768_100016262050 [0,1,0,0,0,1|1,0,0]=3 5807 B16R1.1694 O=C(C/C=C/c1ccccc1)CCCCF 1458a_100011219626_100000729493 [0,1,0,0,0,1|2,0,0]=4 5808 B16R1.1694 O=C(C/C=C/c1ccccc1)CCCCO 1458a_100000695505_100016265936 [0,1,0,0,0,1|1,0,0]=3 5809 B16R1.1694 O=C(C/C=C/c1ccccc1)CCCCO 1458a_100011219626_100000210776 [0,1,0,0,0,1|1,0,0]=3 5810 B16R1.1694 O=C(C/C=C/c1ccccc1)COCCO 1458a_100000708028_100016265936 [0,1,0,0,0,1|1,0,0]=3 5811 B16R1.1694 O=C(C/C=C/c1ccccc1)NCCCF 11a_100015189416_100011219626 [0,1,0,0,0,1|1,0,0]=3 5812 B16R1.1694 O=C(C/C=C/c1ccccc1)NCCCF 1626a_100015189416_100011219626 [0,1,0,0,0,1|1,0,0]=3 5813 B16R1.1694 O=C(C/C=C/c1ccccc1)NCCCF 240690a_100015189416_100011219626 [0,1,0,0,0,1|1,0,0]=3 5814 B16R1.1694 O=C(C/C=C/c1ccccc1)NCCCO 240690a_100000182051_100011219626 [0,1,0,0,0,1|0,0,0]=2 5815 B16R1.1694 O=C(C/C=C/c1ccccc1)NNCCO 22a_100000210001_100011219626 [0,1,0,0,0,1|0,0,0]=2 5816 B16R1.1694 O=C(C=CSc1ccccc1)CC#CCO 1458a_100016262050_200000047223 [0,1,0,0,0,1|1,0,1]=4 5817 B16R1.1694 O=C(C=CSc1ccccc1)CCCCF 1458a_100016262050_100000729493 [0,1,0,0,0,1|2,0,0]=4 5818 B16R1.1694 O=C(C=CSc1ccccc1)CCCCO 1458a_100016262050_100000210776 [0,1,0,0,0,1|1,0,0]=3 5819 B16R1.1694 O=C(C=CSc1ccccc1)NCCCF 11a_100015189416_100016262050 [0,1,0,0,0,1|1,0,0]=3 5820 B16R1.1694 O=C(C=CSc1ccccc1)NCCCF 1626a_100015189416_100016262050 [0,1,0,0,0,1|1,0,0]=3 5821 B16R1.1694 O=C(C=CSc1ccccc1)NCCCF 240690a_100015189416_100016262050 [0,1,0,0,0,1|1,0,0]=3 5822 B16R1.1694 O=C(C=CSc1ccccc1)NCCCO 240690a_100000182051_100016262050 [0,1,0,0,0,1|0,0,0]=2 5823 B16R1.1694 O=C(C=CSc1ccccc1)NNCCO 22a_100000210001_100016262050 [0,1,0,0,0,1|0,0,0]=2 5824 B16R1.1694 O=C(CC#CCO)C/C=C/c1ccccc1 1458a_100011219626_200000047223 [0,1,0,0,0,1|1,0,1]=4 5825 B16R1.1694 O=C(CCCc1ccccc1)NCCCO 240690a_100000182051_100011207963 [0,1,0,0,0,1|0,0,2]=4 5826 B16R1.1694 O=C(CCCc1ccccc1)NCCCO 527a_100000182051_100011207963 [0,1,0,0,0,1|0,0,2]=4 5827 B16R1.1694 O=C(CCCc1ccccc1)NNCCO 22a_100000210001_100011207963 [0,1,0,0,0,1|0,0,2]=4 5828 B16R1.1694 O=C(CCOc1ccccc1)NCCCO 240690a_100000182051_100000182761 [0,1,0,0,0,1|0,0,2]=4 5829 B16R1.1694 O=C(CCOc1ccccc1)NNCCO 22a_100000210001_100000182761 [0,1,0,0,0,1|0,0,2]=4 5830 B16R1.1694 O=C(CCSc1ccccc1)NCCCO 240690a_100000182051_100000182436 [0,1,0,0,0,1|0,0,2]=4 5831 B16R1.1694 O=C(CCSc1ccccc1)NNCCO 22a_100000210001_100000182436 [0,1,0,0,0,1|0,0,2]=4 5832 B16R1.1694 O=C(CNCCO)NCCc1ccccc1 2230a_100000747479_100000211926 [0,1,0,0,0,1|0,0,2]=4 5833 B16R1.1694 O=C(CNCCO)NCCc1ccccc1 2230a_100016997473_100000183012 [0,1,0,0,0,1|0,0,2]=4 5834 B16R1.1694 O=C(CNCCO)NCCc1ccccc1 34a_100000747479_100000211926 [0,1,0,0,0,1|0,0,2]=4 5835 B16R1.1694 O=C(CNCCO)NCCc1ccccc1 34a_100016990907_100000183012 [0,1,0,0,0,1|0,0,2]=4 5836 B16R1.1694 O=C(CNCCO)NOCc1ccccc1 2230a_100016997473_100000230105 [0,1,0,0,0,1|1,0,1]=4 5837 B16R1.1694 O=C(CNCCO)NOCc1ccccc1 34a_100016990907_100000230105 [0,1,0,0,0,1|1,0,1]=4 5838 B16R1.1694 O=C(CNCCO)OCCc1ccccc1 2230a_100016997473_200000077782 [0,1,0,0,0,1|0,0,2]=4 5839 B16R1.1694 O=C(CNCCO)OCCc1ccccc1 34a_100016990907_200000077782 [0,1,0,0,0,1|0,0,2]=4 5840 B16R1.1694 O=C(COCc1ccccc1)NCCCO 240690a_100000182051_100000230186 [0,1,0,0,0,1|0,0,2]=4 5841 B16R1.1694 O=C(COCc1ccccc1)NCCCO 527a_100000182051_100000230186 [0,1,0,0,0,1|0,0,2]=4 5842 B16R1.1694 O=C(COCc1ccccc1)NNCCO 22a_100000210001_100000230186 [0,1,0,0,0,1|0,0,2]=4 5843 B16R1.1694 O=C(CSCc1ccccc1)NCCCO 240690a_100000182051_100000150264 [0,1,0,0,0,1|0,0,2]=4 5844 B16R1.1694 O=C(CSCc1ccccc1)NCCCO 527a_100000182051_100000150264 [0,1,0,0,0,1|0,0,2]=4 5845 B16R1.1694 O=C(CSCc1ccccc1)NNCCO 22a_100000210001_100000150264 [0,1,0,0,0,1|0,0,2]=4 5846 B16R1.1694 O=C(NCCCO)NCCc1ccccc1 2708a_100000106460_100000182051 [0,1,0,0,0,1|0,0,2]=4 5847 B16R1.1694 O=C(NCCCO)NCCc1ccccc1 273464a_100000106460_100000182051 [0,1,0,0,0,1|0,0,2]=4 5848 B16R1.1694 O=C(NCCCO)NCCc1ccccc1 273464a_100000182051_100000106460 [0,1,0,0,0,1|0,0,2]=4 5849 B16R1.1694 O=C(NCCCO)NCCc1ccccc1 512a_100000106460_100000182051 [0,1,0,0,0,1|0,0,2]=4 5850 B16R1.1694 O=C(NCCCO)NNCc1ccccc1 273464a_100000182051_100000007032 [0,1,0,0,0,1|1,0,1]=4 5851 B16R1.1694 O=C(NCCc1ccccc1)NNCCO 273464a_100000106460_100000210001 [0,1,0,0,0,1|0,0,2]=4 5852 B16R1.1694 O=C(NCCc1ccccc1)NNCCO 512a_100000106460_100000210001 [0,1,0,0,0,1|0,0,2]=4 5853 B16R1.4473 Cc1ccccc1CCNC(=O)NCCO 2708a_100000685071_100000210304 [0,1,0,0,0,1|0,0,2]=4 5854 B16R1.4473 Cc1ccccc1CCNC(=O)NCCO 273464a_100000210304_100000685071 [0,1,0,0,0,1|0,0,2]=4 5855 B16R1.4473 Cc1ccccc1CCNC(=O)NCCO 273464a_100000685071_100000210304 [0,1,0,0,0,1|0,0,2]=4 5856 B16R1.4473 Cc1ccccc1CCNC(=O)NCCO 512a_100000685071_100000210304 [0,1,0,0,0,1|0,0,2]=4 5857 B16R1.4473 Cc1ccccc1CNNC(=O)NCCO 273464a_100000210304_100000737298 [0,1,0,0,0,1|1,0,1]=4 5858 B16R1.4473 Cc1ccccc1CNNC(=O)NCCO 512a_100000737298_100000210304 [0,1,0,0,0,1|1,0,1]=4 5859 B16R1.4473 Cc1ccccc1CSCC(=O)NCCO 240690a_100000210304_100000150258 [0,1,0,0,0,1|0,0,2]=4 5860 B16R1.4473 Cc1ccccc1CSCC(=O)NCCO 527a_100000210304_100000150258 [0,1,0,0,0,1|0,0,2]=4 5861 B16R1.4473 Cc1ccccc1OCCC(=O)NCCO 240690a_100000210304_100000182324 [0,1,0,0,0,1|0,0,2]=4 5862 B16R1.4473 O=C(CCCc1ccccc1Cl)NCCO 240690a_100000210304_100000700343 [0,1,0,0,0,1|0,0,2]=4 5863 B16R1.4473 O=C(CCCc1ccccc1Cl)NCCO 527a_100000210304_100000700343 [0,1,0,0,0,1|0,0,2]=4 5864 B16R1.4473 O=C(CCCc1ccccc1O)NCCO 240690a_100000210304_100009859317 [0,1,0,0,0,1|0,0,2]=4 5865 B16R1.4473 O=C(CCCc1ccccc1O)NCCO 527a_100000210304_100009859317 [0,1,0,0,0,1|0,0,2]=4 5866 B16R1.4473 O=C(CCOc1ccccc1Br)NCCO 240690a_100000210304_100000740817 [0,1,0,0,0,1|0,0,2]=4 5867 B16R1.4473 O=C(CCOc1ccccc1Cl)NCCO 240690a_100000210304_100000240438 [0,1,0,0,0,1|0,0,2]=4 5868 B16R1.4473 O=C(CCOc1ccccc1F)NCCO 240690a_100000210304_100000184057 [0,1,0,0,0,1|0,0,2]=4 5869 B16R1.4473 O=C(CCSc1ccccc1F)NCCO 240690a_100000210304_100000208832 [0,1,0,0,0,1|0,0,2]=4 5870 B16R1.4473 O=C(CCSc1ccccc1F)NCCO 527a_100000210304_100000208832 [0,1,0,0,0,1|0,0,2]=4 5871 B16R1.4473 O=C(CSCc1ccccc1Cl)NCCO 240690a_100000210304_100000150270 [0,1,0,0,0,1|0,0,2]=4 5872 B16R1.4473 O=C(CSCc1ccccc1Cl)NCCO 527a_100000210304_100000150270 [0,1,0,0,0,1|0,0,2]=4 5873 B16R1.4473 O=C(CSCc1ccccc1F)NCCO 240690a_100000210304_100000150260 [0,1,0,0,0,1|0,0,2]=4 5874 B16R1.4473 O=C(CSCc1ccccc1F)NCCO 527a_100000210304_100000150260 [0,1,0,0,0,1|0,0,2]=4 5875 B16R1.4473 O=C(NCCO)NCCc1ccccc1Br 2708a_100000747383_100000210304 [0,1,0,0,0,1|0,0,2]=4 5876 B16R1.4473 O=C(NCCO)NCCc1ccccc1Br 273464a_100000210304_100000747383 [0,1,0,0,0,1|0,0,2]=4 5877 B16R1.4473 O=C(NCCO)NCCc1ccccc1Br 273464a_100000747383_100000210304 [0,1,0,0,0,1|0,0,2]=4 5878 B16R1.4473 O=C(NCCO)NCCc1ccccc1Br 512a_100000747383_100000210304 [0,1,0,0,0,1|0,0,2]=4 5879 B16R1.4473 O=C(NCCO)NCCc1ccccc1Cl 2708a_100011207228_100000210304 [0,1,0,0,0,1|0,0,2]=4 5880 B16R1.4473 O=C(NCCO)NCCc1ccccc1Cl 273464a_100000210304_100011207228 [0,1,0,0,0,1|0,0,2]=4 5881 B16R1.4473 O=C(NCCO)NCCc1ccccc1Cl 273464a_100011207228_100000210304 [0,1,0,0,0,1|0,0,2]=4 5882 B16R1.4473 O=C(NCCO)NCCc1ccccc1Cl 512a_100011207228_100000210304 [0,1,0,0,0,1|0,0,2]=4 5883 B16R1.4473 O=C(NCCO)NCCc1ccccc1F 2708a_100000185272_100000210304 [0,1,0,0,0,1|0,0,2]=4 5884 B16R1.4473 O=C(NCCO)NCCc1ccccc1F 273464a_100000185272_100000210304 [0,1,0,0,0,1|0,0,2]=4 5885 B16R1.4473 O=C(NCCO)NCCc1ccccc1F 273464a_100000210304_100000185272 [0,1,0,0,0,1|0,0,2]=4 5886 B16R1.4473 O=C(NCCO)NCCc1ccccc1F 512a_100000185272_100000210304 [0,1,0,0,0,1|0,0,2]=4 5887 B16R1.4473 O=C(NCCO)NCCc1ccccc1O 2708a_100011207237_100000210304 [0,1,0,0,0,1|0,0,2]=4 5888 B16R1.4473 O=C(NCCO)NCCc1ccccc1O 273464a_100000210304_100011207237 [0,1,0,0,0,1|0,0,2]=4 5889 B16R1.4473 O=C(NCCO)NCCc1ccccc1O 273464a_100011207237_100000210304 [0,1,0,0,0,1|0,0,2]=4 5890 B16R1.4473 O=C(NCCO)NCCc1ccccc1O 512a_100011207237_100000210304 [0,1,0,0,0,1|0,0,2]=4 5891 B16R1.4473 O=C(NCCO)NNCc1ccccc1Br 273464a_100000210304_200016993956 [0,1,0,0,0,1|1,0,1]=4 5892 B16R1.4473 O=C(NCCO)NNCc1ccccc1Br 512a_200016993956_100000210304 [0,1,0,0,0,1|1,0,1]=4 5893 B16R1.4473 O=C(NCCO)NNCc1ccccc1Cl 273464a_100000210304_100015187261 [0,1,0,0,0,1|1,0,1]=4 5894 B16R1.4473 O=C(NCCO)NNCc1ccccc1F 273464a_100000210304_100015200773 [0,1,0,0,0,1|1,0,1]=4 5895 B16R1.14049 C#CCN(C)C(=O)C/C=C/c1ccccc1 11a_100000225692_100011219626 [0,1,0,0,0,1|1,0,1]=4 5896 B16R1.14049 C#CCN(C)C(=O)C/C=C/c1ccccc1 1626a_100000225692_100011219626 [0,1,0,0,0,1|1,0,1]=4 5897 B16R1.14049 C#CCN(C)C(=O)C=CSc1ccccc1 11a_100000225692_100016262050 [0,1,0,0,0,1|1,0,1]=4 5898 B16R1.14049 C#CCN(C)C(=O)C=CSc1ccccc1 1626a_100000225692_100016262050 [0,1,0,0,0,1|1,0,1]=4 5899 B16R1.14049 C=CCN(C)C(=O)C/C=C/c1ccccc1 11a_100000225617_100011219626 [0,1,0,0,0,1|1,0,1]=4 5900 B16R1.14049 C=CCN(C)C(=O)C/C=C/c1ccccc1 1626a_100000225617_100011219626 [0,1,0,0,0,1|1,0,1]=4 5901 B16R1.14049 C=CCN(C)C(=O)C/C=C/c1ccccc1 240690a_100000225617_100011219626 [0,1,0,0,0,1|1,0,1]=4 5902 B16R1.14049 C=CCN(C)C(=O)C=CSc1ccccc1 11a_100000225617_100016262050 [0,1,0,0,0,1|1,0,1]=4 5903 B16R1.14049 C=CCN(C)C(=O)C=CSc1ccccc1 1626a_100000225617_100016262050 [0,1,0,0,0,1|1,0,1]=4 5904 B16R1.14049 C=CCN(C)C(=O)C=CSc1ccccc1 240690a_100000225617_100016262050 [0,1,0,0,0,1|1,0,1]=4 5905 B16R1.14049 CC(CCO)C(=O)C/C=C/c1ccccc1 1458a_100011219626_100009893172 [0,1,0,0,0,1|1,0,0]=3 5906 B16R1.14049 CC(CCO)C(=O)C=CSc1ccccc1 1458a_100016262050_100009893172 [0,1,0,0,0,1|1,0,0]=3 5907 B16R1.14049 CCCC(C)C(=O)C/C=C/c1ccccc1 1458a_100000210906_100016265936 [0,1,0,0,0,1|2,0,0]=4 5908 B16R1.14049 CCCC(C)C(=O)C/C=C/c1ccccc1 1458a_100011219626_100000766640 [0,1,0,0,0,1|2,0,0]=4 5909 B16R1.14049 CCCC(C)C(=O)C=CSc1ccccc1 1458a_100016262050_100000766640 [0,1,0,0,0,1|2,0,0]=4 5910 B16R1.14049 CCCN(C)C(=O)C/C=C/c1ccccc1 11a_100000747261_100011219626 [0,1,0,0,0,1|1,0,0]=3 5911 B16R1.14049 CCCN(C)C(=O)C/C=C/c1ccccc1 1626a_100000747261_100011219626 [0,1,0,0,0,1|1,0,0]=3 5912 B16R1.14049 CCCN(C)C(=O)C/C=C/c1ccccc1 240690a_100000747261_100011219626 [0,1,0,0,0,1|1,0,0]=3 5913 B16R1.14049 CCCN(C)C(=O)C=CSc1ccccc1 11a_100000747261_100016262050 [0,1,0,0,0,1|1,0,0]=3 5914 B16R1.14049 CCCN(C)C(=O)C=CSc1ccccc1 1626a_100000747261_100016262050 [0,1,0,0,0,1|1,0,0]=3 5915 B16R1.14049 CCCN(C)C(=O)C=CSc1ccccc1 240690a_100000747261_100016262050 [0,1,0,0,0,1|1,0,0]=3 5916 B16R1.14049 CCC[C@H](O)C(=O)C/C=C/c1ccccc1 1458a_100009822183_100016265936 [0,1,0,0,0,1|2,0,0]=4 5917 B16R1.14049 CN(CC#N)C(=O)C/C=C/c1ccccc1 11a_100000748184_100011219626 [0,1,0,0,0,1|1,0,1]=4 5918 B16R1.14049 CN(CC#N)C(=O)C/C=C/c1ccccc1 1626a_100000748184_100011219626 [0,1,0,0,0,1|1,0,1]=4 5919 B16R1.14049 CN(CC#N)C(=O)C=CSc1ccccc1 11a_100000748184_100016262050 [0,1,0,0,0,1|1,0,1]=4 5920 B16R1.14049 CN(CC#N)C(=O)C=CSc1ccccc1 1626a_100000748184_100016262050 [0,1,0,0,0,1|1,0,1]=4 5921 B16R1.14049 CN(CCO)C(=O)C/C=C/c1ccccc1 240690a_100000210263_100011219626 [0,1,0,0,0,1|0,0,0]=2 5922 B16R1.14049 CN(CCO)C(=O)C=CSc1ccccc1 240690a_100000210263_100016262050 [0,1,0,0,0,1|0,0,0]=2 5923 B16R1.14049 CN(CCO)C(=O)CCCc1ccccc1 240690a_100000210263_100011207963 [0,1,0,0,0,1|0,0,2]=4 5924 B16R1.14049 CN(CCO)C(=O)CCCc1ccccc1 527a_100000210263_100011207963 [0,1,0,0,0,1|0,0,2]=4 5925 B16R1.14049 CN(CCO)C(=O)CCOc1ccccc1 240690a_100000210263_100000182761 [0,1,0,0,0,1|0,0,2]=4 5926 B16R1.14049 CN(CCO)C(=O)CCSc1ccccc1 240690a_100000210263_100000182436 [0,1,0,0,0,1|0,0,2]=4 5927 B16R1.14049 CN(CCO)C(=O)COCc1ccccc1 240690a_100000210263_100000230186 [0,1,0,0,0,1|0,0,2]=4 5928 B16R1.14049 CN(CCO)C(=O)COCc1ccccc1 527a_100000210263_100000230186 [0,1,0,0,0,1|0,0,2]=4 5929 B16R1.14049 CN(CCO)C(=O)CSCc1ccccc1 240690a_100000210263_100000150264 [0,1,0,0,0,1|0,0,2]=4 5930 B16R1.14049 CN(CCO)C(=O)CSCc1ccccc1 527a_100000210263_100000150264 [0,1,0,0,0,1|0,0,2]=4 5931 B16R1.14049 CN(CCO)C(=O)NCCc1ccccc1 2708a_100000106460_100000210263 [0,1,0,0,0,1|0,0,2]=4 5932 B16R1.14049 CN(CCO)C(=O)NCCc1ccccc1 273464a_100000106460_100000210263 [0,1,0,0,0,1|0,0,2]=4 5933 B16R1.18213 C=C(C)CNC(=O)C/C=C/c1ccccc1 11a_100000765925_100011219626 [0,1,0,0,0,1|1,0,1]=4 5934 B16R1.18213 C=C(C)CNC(=O)C/C=C/c1ccccc1 1626a_100000765925_100011219626 [0,1,0,0,0,1|1,0,1]=4 5935 B16R1.18213 C=C(C)CNC(=O)C/C=C/c1ccccc1 240690a_100000765925_100011219626 [0,1,0,0,0,1|1,0,1]=4 5936 B16R1.18213 C=C(C)CNC(=O)C=CSc1ccccc1 11a_100000765925_100016262050 [0,1,0,0,0,1|1,0,1]=4 5937 B16R1.18213 C=C(C)CNC(=O)C=CSc1ccccc1 1626a_100000765925_100016262050 [0,1,0,0,0,1|1,0,1]=4 5938 B16R1.18213 C=C(C)CNC(=O)C=CSc1ccccc1 240690a_100000765925_100016262050 [0,1,0,0,0,1|1,0,1]=4 5939 B16R1.18213 CC(C)CCC(=O)C/C=C/c1ccccc1 1458a_100000181311_100016265936 [0,1,0,0,0,1|2,0,0]=4 5940 B16R1.18213 CC(C)CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210312 [0,1,0,0,0,1|2,0,0]=4 5941 B16R1.18213 CC(C)CCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210312 [0,1,0,0,0,1|2,0,0]=4 5942 B16R1.18213 CC(C)CNC(=O)C/C=C/c1ccccc1 11a_100000210953_100011219626 [0,1,0,0,0,1|1,0,0]=3 5943 B16R1.18213 CC(C)CNC(=O)C/C=C/c1ccccc1 1626a_100000210953_100011219626 [0,1,0,0,0,1|1,0,0]=3 5944 B16R1.18213 CC(C)CNC(=O)C/C=C/c1ccccc1 240690a_100000210953_100011219626 [0,1,0,0,0,1|1,0,0]=3 5945 B16R1.18213 CC(C)CNC(=O)C=CSc1ccccc1 11a_100000210953_100016262050 [0,1,0,0,0,1|1,0,0]=3 5946 B16R1.18213 CC(C)CNC(=O)C=CSc1ccccc1 1626a_100000210953_100016262050 [0,1,0,0,0,1|1,0,0]=3 5947 B16R1.18213 CC(C)CNC(=O)C=CSc1ccccc1 240690a_100000210953_100016262050 [0,1,0,0,0,1|1,0,0]=3 5948 B16R1.18213 CC(C)NNC(=O)C/C=C/c1ccccc1 22a_100000741168_100011219626 [0,1,0,0,0,1|2,0,0]=4 5949 B16R1.18213 CC(C)NNC(=O)C=CSc1ccccc1 22a_100000741168_100016262050 [0,1,0,0,0,1|2,0,0]=4 5950 B16R1.18213 CC(O)CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100012276601 [0,1,0,0,0,1|1,0,0]=3 5951 B16R1.18213 CC(O)CCC(=O)C=CSc1ccccc1 1458a_100016262050_100012276601 [0,1,0,0,0,1|1,0,0]=3 5952 B16R1.18213 CC(O)CNC(=O)C/C=C/c1ccccc1 11a_100000210904_100011219626 [0,1,0,0,0,1|0,0,0]=2 5953 B16R1.18213 CC(O)CNC(=O)C/C=C/c1ccccc1 240690a_100000210904_100011219626 [0,1,0,0,0,1|0,0,0]=2 5954 B16R1.18213 CC(O)CNC(=O)C=CSc1ccccc1 11a_100000210904_100016262050 [0,1,0,0,0,1|0,0,0]=2 5955 B16R1.18213 CC(O)CNC(=O)C=CSc1ccccc1 240690a_100000210904_100016262050 [0,1,0,0,0,1|0,0,0]=2 5956 B16R1.18213 CC(O)CNC(=O)CCCc1ccccc1 11a_100000210904_100011207963 [0,1,0,0,0,1|0,0,2]=4 5957 B16R1.18213 CC(O)CNC(=O)CCCc1ccccc1 240690a_100000210904_100011207963 [0,1,0,0,0,1|0,0,2]=4 5958 B16R1.18213 CC(O)CNC(=O)CCCc1ccccc1 527a_100000210904_100011207963 [0,1,0,0,0,1|0,0,2]=4 5959 B16R1.18213 CC(O)CNC(=O)CCOc1ccccc1 11a_100000210904_100000182761 [0,1,0,0,0,1|0,0,2]=4 5960 B16R1.18213 CC(O)CNC(=O)CCOc1ccccc1 240690a_100000210904_100000182761 [0,1,0,0,0,1|0,0,2]=4 5961 B16R1.18213 CC(O)CNC(=O)CCSc1ccccc1 11a_100000210904_100000182436 [0,1,0,0,0,1|0,0,2]=4 5962 B16R1.18213 CC(O)CNC(=O)CCSc1ccccc1 240690a_100000210904_100000182436 [0,1,0,0,0,1|0,0,2]=4 5963 B16R1.18213 CC(O)CNC(=O)COCc1ccccc1 11a_100000210904_100000230186 [0,1,0,0,0,1|0,0,2]=4 5964 B16R1.18213 CC(O)CNC(=O)COCc1ccccc1 240690a_100000210904_100000230186 [0,1,0,0,0,1|0,0,2]=4 5965 B16R1.18213 CC(O)CNC(=O)COCc1ccccc1 527a_100000210904_100000230186 [0,1,0,0,0,1|0,0,2]=4 5966 B16R1.18213 CC(O)CNC(=O)CSCc1ccccc1 11a_100000210904_100000150264 [0,1,0,0,0,1|0,0,2]=4 5967 B16R1.18213 CC(O)CNC(=O)CSCc1ccccc1 240690a_100000210904_100000150264 [0,1,0,0,0,1|0,0,2]=4 5968 B16R1.18213 CC(O)CNC(=O)CSCc1ccccc1 527a_100000210904_100000150264 [0,1,0,0,0,1|0,0,2]=4 5969 B16R1.18213 CC(O)CNC(=O)NCCc1ccccc1 2708a_100000106460_100000210904 [0,1,0,0,0,1|0,0,2]=4 5970 B16R1.18213 CC(O)CNC(=O)NCCc1ccccc1 273464a_100000106460_100000210904 [0,1,0,0,0,1|0,0,2]=4 5971 B16R1.18213 CC(O)CNC(=O)NCCc1ccccc1 273464a_100000210904_100000106460 [0,1,0,0,0,1|0,0,2]=4 5972 B16R1.18213 CC(O)CNC(=O)NCCc1ccccc1 512a_100000106460_100000210904 [0,1,0,0,0,1|0,0,2]=4 5973 B16R1.18213 CC(O)CNC(=O)NCCc1ccccc1 512a_100000210904_100000106460 [0,1,0,0,0,1|0,0,2]=4 5974 B16R1.18213 CC(O)CNC(=O)NNCc1ccccc1 273464a_100000210904_100000007032 [0,1,0,0,0,1|1,0,1]=4 5975 B16R1.18213 CC(O)CNC(=O)NNCc1ccccc1 512a_100000210904_100000007032 [0,1,0,0,0,1|1,0,1]=4 5976 B16R1.18213 NC(=O)CNC(=O)C/C=C/c1ccccc1 11a_100000711301_100011219626 [0,1,0,0,0,1|0,0,2]=4 5977 B16R1.18213 NC(=O)CNC(=O)C/C=C/c1ccccc1 240690a_100000711301_100011219626 [0,1,0,0,0,1|0,0,2]=4 5978 B16R1.18213 NC(=O)CNC(=O)C=CSc1ccccc1 11a_100000711301_100016262050 [0,1,0,0,0,1|0,0,2]=4 5979 B16R1.18213 NC(=O)CNC(=O)C=CSc1ccccc1 240690a_100000711301_100016262050 [0,1,0,0,0,1|0,0,2]=4 5980 B16R1.18213 O=C(C/C=C/c1ccccc1)NCC(F)F 11a_100000765723_100011219626 [0,1,0,0,0,1|1,0,0]=3 5981 B16R1.18213 O=C(C/C=C/c1ccccc1)NCC(F)F 1626a_100000765723_100011219626 [0,1,0,0,0,1|1,0,0]=3 5982 B16R1.18213 O=C(C/C=C/c1ccccc1)NCC(F)F 240690a_100000765723_100011219626 [0,1,0,0,0,1|1,0,0]=3 5983 B16R1.18213 O=C(C=CSc1ccccc1)NCC(F)F 11a_100000765723_100016262050 [0,1,0,0,0,1|1,0,0]=3 5984 B16R1.18213 O=C(C=CSc1ccccc1)NCC(F)F 1626a_100000765723_100016262050 [0,1,0,0,0,1|1,0,0]=3 5985 B16R1.18213 O=C(C=CSc1ccccc1)NCC(F)F 240690a_100000765723_100016262050 [0,1,0,0,0,1|1,0,0]=3 5986 B16R1.35 C#CCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000731252 [0,2,0,0,0,0|2,0,0]=4 5987 B16R1.35 C#CCCNC(=O)C=C(C)c1ccccc1 11a_100000755551_100000743005 [0,2,0,0,0,0|1,0,0]=3 5988 B16R1.35 C#CCCNC(=O)C=C(C)c1ccccc1 1626a_100000755551_100000743005 [0,2,0,0,0,0|1,0,0]=3 5989 B16R1.35 C#CCCNC(=O)C=C(C)c1ccccc1 240690a_100000755551_100000743005 [0,2,0,0,0,0|1,0,0]=3 5990 B16R1.35 C#CCCNC(=O)C=C(C)c1ccccc1 527a_100000755551_100000743005 [0,2,0,0,0,0|1,0,0]=3 5991 B16R1.35 C=CCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000757094 [0,2,0,0,0,0|2,0,0]=4 5992 B16R1.35 C=CCCNC(=O)C=C(C)c1ccccc1 11a_100015191253_100000743005 [0,2,0,0,0,0|1,0,0]=3 5993 B16R1.35 C=CCCNC(=O)C=C(C)c1ccccc1 1626a_100015191253_100000743005 [0,2,0,0,0,0|1,0,0]=3 5994 B16R1.35 C=CCCNC(=O)C=C(C)c1ccccc1 240690a_100015191253_100000743005 [0,2,0,0,0,0|1,0,0]=3 5995 B16R1.35 C=CCCNC(=O)C=C(C)c1ccccc1 527a_100015191253_100000743005 [0,2,0,0,0,0|1,0,0]=3 5996 B16R1.35 C=CCNNC(=O)C=C(C)c1ccccc1 22a_100020588587_100000743005 [0,2,0,0,0,0|1,0,1]=4 5997 B16R1.35 CC#CCNC(=O)C=C(C)c1ccccc1 11a_100000685387_100000743005 [0,2,0,0,0,0|1,0,1]=4 5998 B16R1.35 CC#CCNC(=O)C=C(C)c1ccccc1 1626a_100000685387_100000743005 [0,2,0,0,0,0|1,0,1]=4 5999 B16R1.35 CC#CCNC(=O)C=C(C)c1ccccc1 527a_100000685387_100000743005 [0,2,0,0,0,0|1,0,1]=4 6000 B16R1.35 CC(=CC(=O)CC#CCO)c1ccccc1 1458a_100000743005_200000047223 [0,2,0,0,0,0|1,0,1]=4 6001 B16R1.35 CC(=CC(=O)CCCC#N)c1ccccc1 1458a_100000743005_100000211468 [0,2,0,0,0,0|2,0,0]=4 6002 B16R1.35 CC(=CC(=O)CCCCF)c1ccccc1 1458a_100000743005_100000729493 [0,2,0,0,0,0|2,0,0]=4 6003 B16R1.35 CC(=CC(=O)CCCCO)c1ccccc1 1458a_100000743005_100000210776 [0,2,0,0,0,0|1,0,0]=3 6004 B16R1.35 CC(=CC(=O)NCCC#N)c1ccccc1 11a_100000720768_100000743005 [0,2,0,0,0,0|1,0,0]=3 6005 B16R1.35 CC(=CC(=O)NCCC#N)c1ccccc1 1626a_100000720768_100000743005 [0,2,0,0,0,0|1,0,0]=3 6006 B16R1.35 CC(=CC(=O)NCCC#N)c1ccccc1 240690a_100000720768_100000743005 [0,2,0,0,0,0|1,0,0]=3 6007 B16R1.35 CC(=CC(=O)NCCC#N)c1ccccc1 527a_100000720768_100000743005 [0,2,0,0,0,0|1,0,0]=3 6008 B16R1.35 CC(=CC(=O)NCCCF)c1ccccc1 11a_100015189416_100000743005 [0,2,0,0,0,0|1,0,0]=3 6009 B16R1.35 CC(=CC(=O)NCCCF)c1ccccc1 1626a_100015189416_100000743005 [0,2,0,0,0,0|1,0,0]=3 6010 B16R1.35 CC(=CC(=O)NCCCF)c1ccccc1 240690a_100015189416_100000743005 [0,2,0,0,0,0|1,0,0]=3 6011 B16R1.35 CC(=CC(=O)NCCCF)c1ccccc1 527a_100015189416_100000743005 [0,2,0,0,0,0|1,0,0]=3 6012 B16R1.35 CC(=CC(=O)NCCCO)c1ccccc1 240690a_100000182051_100000743005 [0,2,0,0,0,0|0,0,0]=2 6013 B16R1.35 CC(=CC(=O)NCCCO)c1ccccc1 527a_100000182051_100000743005 [0,2,0,0,0,0|0,0,0]=2 6014 B16R1.35 CC(=CC(=O)NNCCO)c1ccccc1 22a_100000210001_100000743005 [0,2,0,0,0,0|0,0,0]=2 6015 B16R1.35 CC(CC(=O)NCCCO)c1ccccc1 240690a_100000182051_100000183687 [0,2,0,0,0,0|0,0,2]=4 6016 B16R1.35 CC(CC(=O)NCCCO)c1ccccc1 527a_100000182051_100000183687 [0,2,0,0,0,0|0,0,2]=4 6017 B16R1.35 CC(CC(=O)NNCCO)c1ccccc1 22a_100000210001_100000183687 [0,2,0,0,0,0|0,0,2]=4 6018 B16R1.35 CC(NC(=O)CNCCO)c1ccccc1 2230a_100016997473_200000243715 [0,2,0,0,0,0|1,0,1]=4 6019 B16R1.35 CC(NC(=O)CNCCO)c1ccccc1 34a_100016990907_200000243715 [0,2,0,0,0,0|1,0,1]=4 6020 B16R1.35 CCCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210326 [0,2,0,0,0,0|2,0,0]=4 6021 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 11a_100000102301_100000743005 [0,2,0,0,0,0|1,0,0]=3 6022 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 1626a_100000102301_100000743005 [0,2,0,0,0,0|1,0,0]=3 6023 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 240690a_100000102301_100000743005 [0,2,0,0,0,0|1,0,0]=3 6024 B16R1.35 CCCCNC(=O)C=C(C)c1ccccc1 527a_100000102301_100000743005 [0,2,0,0,0,0|1,0,0]=3 6025 B16R1.35 CCCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000182744 [0,2,0,0,0,0|1,0,1]=4 6026 B16R1.35 CCCNNC(=O)C=C(C)c1ccccc1 22a_100000740057_100000743005 [0,2,0,0,0,0|1,0,0]=3 6027 B16R1.35 CCOCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100011215890 [0,2,0,0,0,0|2,0,0]=4 6028 B16R1.35 CCSCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000757381 [0,2,0,0,0,0|2,0,0]=4 6029 B16R1.35 CN(CC(=O)NCCCO)c1ccccc1 240690a_100000182051_100000745425 [0,2,0,0,0,0|1,0,1]=4 6030 B16R1.35 CN(CC(=O)NCCCO)c1ccccc1 527a_100000182051_100000745425 [0,2,0,0,0,0|1,0,1]=4 6031 B16R1.35 CN(CC(=O)NNCCO)c1ccccc1 22a_100000210001_100000745425 [0,2,0,0,0,0|1,0,1]=4 6032 B16R1.35 COCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000740836 [0,2,0,0,0,0|1,0,0]=3 6033 B16R1.35 COCCCC(=O)CC(=O)c1ccccc1 1458a_100000741012_100000211460 [0,2,0,0,0,0|1,0,1]=4 6034 B16R1.35 COCCNC(=O)C=C(C)c1ccccc1 1626a_100000209980_100000743005 [0,2,0,0,0,0|0,0,0]=2 6035 B16R1.35 COCCNC(=O)C=C(C)c1ccccc1 240690a_100000209980_100000743005 [0,2,0,0,0,0|0,0,0]=2 6036 B16R1.35 COCCNC(=O)C=C(C)c1ccccc1 527a_100000209980_100000743005 [0,2,0,0,0,0|0,0,0]=2 6037 B16R1.35 COCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183275 [0,2,0,0,0,0|0,0,1]=3 6038 B16R1.35 COCCNC(=O)CC(C)c1ccccc1 1626a_100000209980_100000183687 [0,2,0,0,0,0|0,0,2]=4 6039 B16R1.35 COCCNC(=O)CC(C)c1ccccc1 240690a_100000209980_100000183687 [0,2,0,0,0,0|0,0,2]=4 6040 B16R1.35 COCCNC(=O)CC(C)c1ccccc1 527a_100000209980_100000183687 [0,2,0,0,0,0|0,0,2]=4 6041 B16R1.35 COCCNC(=O)CC(O)c1ccccc1 240690a_100000209980_100000690199 [0,2,0,0,0,0|0,0,2]=4 6042 B16R1.35 COCCNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183275 [0,2,0,0,0,0|1,0,1]=4 6043 B16R1.35 COCCNC(=O)CN(C)c1ccccc1 240690a_100000209980_100000745425 [0,2,0,0,0,0|1,0,1]=4 6044 B16R1.35 COCCNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183275 [0,2,0,0,0,0|1,0,1]=4 6045 B16R1.35 COCCNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183275 [0,2,0,0,0,0|1,0,1]=4 6046 B16R1.35 COCCNC(=O)CN(C)c1ccccc1 527a_100000209980_100000745425 [0,2,0,0,0,0|1,0,1]=4 6047 B16R1.35 COCCNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100000209980 [0,2,0,0,0,0|1,0,1]=4 6048 B16R1.35 COCCNC(=O)N[C@H](C)c1ccccc1 273464a_100000209980_100000751104 [0,2,0,0,0,0|1,0,1]=4 6049 B16R1.35 COCCNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100000209980 [0,2,0,0,0,0|1,0,1]=4 6050 B16R1.35 COCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_200000040189 [0,2,0,0,0,0|1,0,1]=4 6051 B16R1.35 CSCCNC(=O)C=C(C)c1ccccc1 11a_100020590264_100000743005 [0,2,0,0,0,0|0,1,0]=3 6052 B16R1.35 CSCCNC(=O)C=C(C)c1ccccc1 1626a_100020590264_100000743005 [0,2,0,0,0,0|0,1,0]=3 6053 B16R1.35 CSCCNC(=O)C=C(C)c1ccccc1 240690a_100020590264_100000743005 [0,2,0,0,0,0|0,1,0]=3 6054 B16R1.35 CSCCNC(=O)C=C(C)c1ccccc1 527a_100020590264_100000743005 [0,2,0,0,0,0|0,1,0]=3 6055 B16R1.35 C[C@@H](NC(=O)NCCCO)c1ccccc1 2708a_100000751104_100000182051 [0,2,0,0,0,0|1,0,1]=4 6056 B16R1.35 C[C@@H](NC(=O)NCCCO)c1ccccc1 273464a_100000182051_100000751104 [0,2,0,0,0,0|1,0,1]=4 6057 B16R1.35 C[C@@H](NC(=O)NCCCO)c1ccccc1 273464a_100000751104_100000182051 [0,2,0,0,0,0|1,0,1]=4 6058 B16R1.35 C[C@@H](NC(=O)NCCCO)c1ccccc1 512a_100000751104_100000182051 [0,2,0,0,0,0|1,0,1]=4 6059 B16R1.35 C[C@@H](NC(=O)NNCCO)c1ccccc1 273464a_100000751104_100000210001 [0,2,0,0,0,0|1,0,1]=4 6060 B16R1.35 C[C@@H](NC(=O)NNCCO)c1ccccc1 512a_100000751104_100000210001 [0,2,0,0,0,0|1,0,1]=4 6061 B16R1.35 C[C@H](NC(=O)CNCCO)c1ccccc1 2230a_100016997473_100011939912 [0,2,0,0,0,0|1,0,1]=4 6062 B16R1.35 C[C@H](NC(=O)CNCCO)c1ccccc1 34a_100016990907_100011939912 [0,2,0,0,0,0|1,0,1]=4 6063 B16R1.35 O=C(CC(O)c1ccccc1)NCCCO 240690a_100000182051_100000690199 [0,2,0,0,0,0|0,0,2]=4 6064 B16R1.35 O=C(CC(O)c1ccccc1)NNCCO 22a_100000210001_100000690199 [0,2,0,0,0,0|0,0,2]=4 6065 B16R1.35 O=C(CCCCO)CC(=O)c1ccccc1 1458a_100000695505_100000211460 [0,2,0,0,0,0|1,0,1]=4 6066 B16R1.35 O=C(COCCO)CC(=O)c1ccccc1 1458a_100000708028_100000211460 [0,2,0,0,0,0|1,0,1]=4 6067 B16R1.35 O=C(CSCCO)NC(=O)c1ccccc1 62a_100000211926_100000010347 [0,2,0,0,0,0|2,0,0]=4 6068 B16R1.51 C#CCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000731252 [0,2,0,0,0,0|2,0,0]=4 6069 B16R1.51 C#CCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000731252 [0,2,0,0,0,0|2,0,0]=4 6070 B16R1.51 C#CCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000731252 [0,2,0,0,0,0|2,0,0]=4 6071 B16R1.51 C#CCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000731252 [0,2,0,0,0,0|2,0,0]=4 6072 B16R1.51 C#CCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000731252 [0,2,0,0,0,0|2,0,0]=4 6073 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Br 11a_100000755551_100016267368 [0,2,0,0,0,0|1,0,0]=3 6074 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000755551_100016267368 [0,2,0,0,0,0|1,0,0]=3 6075 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)C 11a_100000755551_100000716854 [0,2,0,0,0,0|1,0,0]=3 6076 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)C 1626a_100000755551_100000716854 [0,2,0,0,0,0|1,0,0]=3 6077 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)C 240690a_100000755551_100000716854 [0,2,0,0,0,0|1,0,0]=3 6078 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000755551_100000184863 [0,2,0,0,0,0|1,0,0]=3 6079 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000755551_100000184863 [0,2,0,0,0,0|1,0,0]=3 6080 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000755551_100000184863 [0,2,0,0,0,0|1,0,0]=3 6081 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)F 11a_100000755551_100000182136 [0,2,0,0,0,0|1,0,0]=3 6082 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000755551_100000182136 [0,2,0,0,0,0|1,0,0]=3 6083 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000755551_100000182136 [0,2,0,0,0,0|1,0,0]=3 6084 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)I 11a_100000755551_100102526154 [0,2,0,0,0,0|1,0,0]=3 6085 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000755551_100102526154 [0,2,0,0,0,0|1,0,0]=3 6086 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000755551_100102526154 [0,2,0,0,0,0|1,0,0]=3 6087 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000755551_100016269017 [0,2,0,0,0,0|1,0,0]=3 6088 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cn1)F 11a_100000755551_100020630499 [0,2,0,0,0,0|2,0,0]=4 6089 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cn1)F 1626a_100000755551_100020630499 [0,2,0,0,0,0|2,0,0]=4 6090 B16R1.51 C#CCCNC(=O)C=Cc1ccc(cn1)F 240690a_100000755551_100020630499 [0,2,0,0,0,0|2,0,0]=4 6091 B16R1.51 C#CCCNC(=O)C=Cc1ccc(nc1)Br 11a_100000755551_100020588214 [0,2,0,0,0,0|2,0,0]=4 6092 B16R1.51 C#CCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000755551_100020588214 [0,2,0,0,0,0|2,0,0]=4 6093 B16R1.51 C#CCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000755551_100020588214 [0,2,0,0,0,0|2,0,0]=4 6094 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000757094 [0,2,0,0,0,0|2,0,0]=4 6095 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000757094 [0,2,0,0,0,0|2,0,0]=4 6096 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000757094 [0,2,0,0,0,0|2,0,0]=4 6097 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000757094 [0,2,0,0,0,0|2,0,0]=4 6098 B16R1.51 C=CCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000757094 [0,2,0,0,0,0|2,0,0]=4 6099 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Br 11a_100015191253_100016267368 [0,2,0,0,0,0|1,0,0]=3 6100 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100015191253_100016267368 [0,2,0,0,0,0|1,0,0]=3 6101 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)C 11a_100015191253_100000716854 [0,2,0,0,0,0|1,0,0]=3 6102 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)C 1626a_100015191253_100000716854 [0,2,0,0,0,0|1,0,0]=3 6103 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)C 240690a_100015191253_100000716854 [0,2,0,0,0,0|1,0,0]=3 6104 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100015191253_100000184863 [0,2,0,0,0,0|1,0,0]=3 6105 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100015191253_100000184863 [0,2,0,0,0,0|1,0,0]=3 6106 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100015191253_100000184863 [0,2,0,0,0,0|1,0,0]=3 6107 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)F 11a_100015191253_100000182136 [0,2,0,0,0,0|1,0,0]=3 6108 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)F 1626a_100015191253_100000182136 [0,2,0,0,0,0|1,0,0]=3 6109 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)F 240690a_100015191253_100000182136 [0,2,0,0,0,0|1,0,0]=3 6110 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)I 11a_100015191253_100102526154 [0,2,0,0,0,0|1,0,0]=3 6111 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)I 1626a_100015191253_100102526154 [0,2,0,0,0,0|1,0,0]=3 6112 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)I 240690a_100015191253_100102526154 [0,2,0,0,0,0|1,0,0]=3 6113 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cc1)O 240690a_100015191253_100016269017 [0,2,0,0,0,0|1,0,0]=3 6114 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cn1)F 11a_100015191253_100020630499 [0,2,0,0,0,0|2,0,0]=4 6115 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cn1)F 1626a_100015191253_100020630499 [0,2,0,0,0,0|2,0,0]=4 6116 B16R1.51 C=CCCNC(=O)C=Cc1ccc(cn1)F 240690a_100015191253_100020630499 [0,2,0,0,0,0|2,0,0]=4 6117 B16R1.51 C=CCCNC(=O)C=Cc1ccc(nc1)Br 11a_100015191253_100020588214 [0,2,0,0,0,0|2,0,0]=4 6118 B16R1.51 C=CCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100015191253_100020588214 [0,2,0,0,0,0|2,0,0]=4 6119 B16R1.51 C=CCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100015191253_100020588214 [0,2,0,0,0,0|2,0,0]=4 6120 B16R1.51 C=CCNNC(=O)C=Cc1ccc(cc1)Br 22a_100020588587_100016267368 [0,2,0,0,0,0|1,0,1]=4 6121 B16R1.51 C=CCNNC(=O)C=Cc1ccc(cc1)C 22a_100020588587_100000716854 [0,2,0,0,0,0|1,0,1]=4 6122 B16R1.51 C=CCNNC(=O)C=Cc1ccc(cc1)Cl 22a_100020588587_100000184863 [0,2,0,0,0,0|1,0,1]=4 6123 B16R1.51 C=CCNNC(=O)C=Cc1ccc(cc1)F 22a_100020588587_100000182136 [0,2,0,0,0,0|1,0,1]=4 6124 B16R1.51 C=CCNNC(=O)C=Cc1ccc(cc1)I 22a_100020588587_100102526154 [0,2,0,0,0,0|1,0,1]=4 6125 B16R1.51 C=CCNNC(=O)C=Cc1ccc(cc1)O 22a_100020588587_100016269017 [0,2,0,0,0,0|1,0,1]=4 6126 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)Br 11a_100000685387_100016267368 [0,2,0,0,0,0|1,0,1]=4 6127 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000685387_100016267368 [0,2,0,0,0,0|1,0,1]=4 6128 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)C 11a_100000685387_100000716854 [0,2,0,0,0,0|1,0,1]=4 6129 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)C 1626a_100000685387_100000716854 [0,2,0,0,0,0|1,0,1]=4 6130 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000685387_100000184863 [0,2,0,0,0,0|1,0,1]=4 6131 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000685387_100000184863 [0,2,0,0,0,0|1,0,1]=4 6132 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)F 11a_100000685387_100000182136 [0,2,0,0,0,0|1,0,1]=4 6133 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)F 1626a_100000685387_100000182136 [0,2,0,0,0,0|1,0,1]=4 6134 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)I 11a_100000685387_100102526154 [0,2,0,0,0,0|1,0,1]=4 6135 B16R1.51 CC#CCNC(=O)C=Cc1ccc(cc1)I 1626a_100000685387_100102526154 [0,2,0,0,0,0|1,0,1]=4 6136 B16R1.51 CC(=NNCCO)C=Cc1ccc(cc1)Br 4a_100000210001_200016259395 [0,2,0,0,0,0|1,0,0]=3 6137 B16R1.51 CC(=NNCCO)C=Cc1ccc(cc1)Cl 4a_100000210001_100016256711 [0,2,0,0,0,0|1,0,0]=3 6138 B16R1.51 CC(=NNCCO)C=Cc1ccc(cc1)O 4a_100000210001_100000189429 [0,2,0,0,0,0|1,0,0]=3 6139 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210326 [0,2,0,0,0,0|2,0,0]=4 6140 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011215151 [0,2,0,0,0,0|2,0,0]=4 6141 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210326 [0,2,0,0,0,0|2,0,0]=4 6142 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210326 [0,2,0,0,0,0|2,0,0]=4 6143 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210326 [0,2,0,0,0,0|2,0,0]=4 6144 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011215151 [0,2,0,0,0,0|2,0,0]=4 6145 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210326 [0,2,0,0,0,0|2,0,0]=4 6146 B16R1.51 CCCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011215151 [0,2,0,0,0,0|2,0,0]=4 6147 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br 11a_100000102301_100016267368 [0,2,0,0,0,0|1,0,0]=3 6148 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000102301_100016267368 [0,2,0,0,0,0|1,0,0]=3 6149 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C 11a_100000102301_100000716854 [0,2,0,0,0,0|1,0,0]=3 6150 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C 1626a_100000102301_100000716854 [0,2,0,0,0,0|1,0,0]=3 6151 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)C 240690a_100000102301_100000716854 [0,2,0,0,0,0|1,0,0]=3 6152 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000102301_100000184863 [0,2,0,0,0,0|1,0,0]=3 6153 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000102301_100000184863 [0,2,0,0,0,0|1,0,0]=3 6154 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000102301_100000184863 [0,2,0,0,0,0|1,0,0]=3 6155 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F 11a_100000102301_100000182136 [0,2,0,0,0,0|1,0,0]=3 6156 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000102301_100000182136 [0,2,0,0,0,0|1,0,0]=3 6157 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000102301_100000182136 [0,2,0,0,0,0|1,0,0]=3 6158 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)I 11a_100000102301_100102526154 [0,2,0,0,0,0|1,0,0]=3 6159 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000102301_100102526154 [0,2,0,0,0,0|1,0,0]=3 6160 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000102301_100102526154 [0,2,0,0,0,0|1,0,0]=3 6161 B16R1.51 CCCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000102301_100016269017 [0,2,0,0,0,0|1,0,0]=3 6162 B16R1.51 CCCCNC(=O)C=Cc1ccc(cn1)F 11a_100000102301_100020630499 [0,2,0,0,0,0|2,0,0]=4 6163 B16R1.51 CCCCNC(=O)C=Cc1ccc(cn1)F 1626a_100000102301_100020630499 [0,2,0,0,0,0|2,0,0]=4 6164 B16R1.51 CCCCNC(=O)C=Cc1ccc(cn1)F 240690a_100000102301_100020630499 [0,2,0,0,0,0|2,0,0]=4 6165 B16R1.51 CCCCNC(=O)C=Cc1ccc(nc1)Br 11a_100000102301_100020588214 [0,2,0,0,0,0|2,0,0]=4 6166 B16R1.51 CCCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000102301_100020588214 [0,2,0,0,0,0|2,0,0]=4 6167 B16R1.51 CCCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000102301_100020588214 [0,2,0,0,0,0|2,0,0]=4 6168 B16R1.51 CCCNN=C(C)C=Cc1ccc(cc1)Br 4a_100000740057_200016259395 [0,2,0,0,0,0|2,0,0]=4 6169 B16R1.51 CCCNN=C(C)C=Cc1ccc(cc1)Cl 4a_100000740057_100016256711 [0,2,0,0,0,0|2,0,0]=4 6170 B16R1.51 CCCNN=C(C)C=Cc1ccc(cc1)O 4a_100000740057_100000189429 [0,2,0,0,0,0|2,0,0]=4 6171 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)Br 22a_100000740057_100016267368 [0,2,0,0,0,0|1,0,0]=3 6172 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)C 22a_100000740057_100000716854 [0,2,0,0,0,0|1,0,0]=3 6173 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)Cl 22a_100000740057_100000184863 [0,2,0,0,0,0|1,0,0]=3 6174 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)F 22a_100000740057_100000182136 [0,2,0,0,0,0|1,0,0]=3 6175 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)I 22a_100000740057_100102526154 [0,2,0,0,0,0|1,0,0]=3 6176 B16R1.51 CCCNNC(=O)C=Cc1ccc(cc1)O 22a_100000740057_100016269017 [0,2,0,0,0,0|1,0,0]=3 6177 B16R1.51 CCCNNC(=O)C=Cc1ccc(cn1)F 22a_100000740057_100020630499 [0,2,0,0,0,0|2,0,0]=4 6178 B16R1.51 CCCNNC(=O)C=Cc1ccc(nc1)Br 22a_100000740057_100020588214 [0,2,0,0,0,0|2,0,0]=4 6179 B16R1.51 CCCOCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100010632825 [0,2,0,0,0,0|2,0,0]=4 6180 B16R1.51 CCCOCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100010632825 [0,2,0,0,0,0|2,0,0]=4 6181 B16R1.51 CCCOCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100010632825 [0,2,0,0,0,0|2,0,0]=4 6182 B16R1.51 CCCSCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011343953 [0,2,0,0,0,0|2,0,0]=4 6183 B16R1.51 CCCSCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011343953 [0,2,0,0,0,0|2,0,0]=4 6184 B16R1.51 CCCSCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011343953 [0,2,0,0,0,0|2,0,0]=4 6185 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011215890 [0,2,0,0,0,0|2,0,0]=4 6186 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_200011216536 [0,2,0,0,0,0|2,0,0]=4 6187 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100011215890 [0,2,0,0,0,0|2,0,0]=4 6188 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011215890 [0,2,0,0,0,0|2,0,0]=4 6189 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011215890 [0,2,0,0,0,0|2,0,0]=4 6190 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_200011216536 [0,2,0,0,0,0|2,0,0]=4 6191 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011215890 [0,2,0,0,0,0|2,0,0]=4 6192 B16R1.51 CCOCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_200011216536 [0,2,0,0,0,0|2,0,0]=4 6193 B16R1.51 CCSCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000757381 [0,2,0,0,0,0|2,0,0]=4 6194 B16R1.51 CCSCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000757381 [0,2,0,0,0,0|2,0,0]=4 6195 B16R1.51 CCSCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000757381 [0,2,0,0,0,0|2,0,0]=4 6196 B16R1.51 CCSCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000757381 [0,2,0,0,0,0|2,0,0]=4 6197 B16R1.51 CCSCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000757381 [0,2,0,0,0,0|2,0,0]=4 6198 B16R1.51 COCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000740836 [0,2,0,0,0,0|1,0,0]=3 6199 B16R1.51 COCCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000740836 [0,2,0,0,0,0|1,0,0]=3 6200 B16R1.51 COCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000740836 [0,2,0,0,0,0|1,0,0]=3 6201 B16R1.51 COCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000740836 [0,2,0,0,0,0|1,0,0]=3 6202 B16R1.51 COCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000740836 [0,2,0,0,0,0|1,0,0]=3 6203 B16R1.51 COCCCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000740836 [0,2,0,0,0,0|2,0,0]=4 6204 B16R1.51 COCCCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000740836 [0,2,0,0,0,0|2,0,0]=4 6205 B16R1.51 COCCNC(=O)C#Cc1ccc(cc1)Cl 240690a_100000209980_100011892723 [0,2,0,0,0,0|0,0,2]=4 6206 B16R1.51 COCCNC(=O)C#Cc1ccc(cc1)F 240690a_100000209980_100000238512 [0,2,0,0,0,0|0,0,2]=4 6207 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000209980_100016267368 [0,2,0,0,0,0|0,0,0]=2 6208 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)C 1626a_100000209980_100000716854 [0,2,0,0,0,0|0,0,0]=2 6209 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)C 240690a_100000209980_100000716854 [0,2,0,0,0,0|0,0,0]=2 6210 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000209980_100000184863 [0,2,0,0,0,0|0,0,0]=2 6211 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000209980_100000184863 [0,2,0,0,0,0|0,0,0]=2 6212 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000209980_100000182136 [0,2,0,0,0,0|0,0,0]=2 6213 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000209980_100000182136 [0,2,0,0,0,0|0,0,0]=2 6214 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000209980_100102526154 [0,2,0,0,0,0|0,0,0]=2 6215 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000209980_100102526154 [0,2,0,0,0,0|0,0,0]=2 6216 B16R1.51 COCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000209980_100016269017 [0,2,0,0,0,0|0,0,0]=2 6217 B16R1.51 COCCNC(=O)C=Cc1ccc(cn1)F 1626a_100000209980_100020630499 [0,2,0,0,0,0|1,0,0]=3 6218 B16R1.51 COCCNC(=O)C=Cc1ccc(cn1)F 240690a_100000209980_100020630499 [0,2,0,0,0,0|1,0,0]=3 6219 B16R1.51 COCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000209980_100020588214 [0,2,0,0,0,0|1,0,0]=3 6220 B16R1.51 COCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000209980_100020588214 [0,2,0,0,0,0|1,0,0]=3 6221 B16R1.51 COCCNC(=O)CCc1ccc(cc1)Br 1626a_100000209980_100000217147 [0,2,0,0,0,0|0,0,2]=4 6222 B16R1.51 COCCNC(=O)CCc1ccc(cc1)Br 240690a_100000209980_100000217147 [0,2,0,0,0,0|0,0,2]=4 6223 B16R1.51 COCCNC(=O)CCc1ccc(cc1)Br 527a_100000209980_100000217147 [0,2,0,0,0,0|0,0,2]=4 6224 B16R1.51 COCCNC(=O)CCc1ccc(cc1)C 1626a_100000209980_100000234883 [0,2,0,0,0,0|0,0,2]=4 6225 B16R1.51 COCCNC(=O)CCc1ccc(cc1)C 240690a_100000209980_100000234883 [0,2,0,0,0,0|0,0,2]=4 6226 B16R1.51 COCCNC(=O)CCc1ccc(cc1)C 527a_100000209980_100000234883 [0,2,0,0,0,0|0,0,2]=4 6227 B16R1.51 COCCNC(=O)CCc1ccc(cc1)Cl 1626a_100000209980_100000235379 [0,2,0,0,0,0|0,0,2]=4 6228 B16R1.51 COCCNC(=O)CCc1ccc(cc1)Cl 240690a_100000209980_100000235379 [0,2,0,0,0,0|0,0,2]=4 6229 B16R1.51 COCCNC(=O)CCc1ccc(cc1)Cl 527a_100000209980_100000235379 [0,2,0,0,0,0|0,0,2]=4 6230 B16R1.51 COCCNC(=O)CCc1ccc(cc1)F 1626a_100000209980_100000198493 [0,2,0,0,0,0|0,0,2]=4 6231 B16R1.51 COCCNC(=O)CCc1ccc(cc1)F 240690a_100000209980_100000198493 [0,2,0,0,0,0|0,0,2]=4 6232 B16R1.51 COCCNC(=O)CCc1ccc(cc1)F 527a_100000209980_100000198493 [0,2,0,0,0,0|0,0,2]=4 6233 B16R1.51 COCCNC(=O)CCc1ccc(cc1)I 1626a_100000209980_100011217499 [0,2,0,0,0,0|0,0,2]=4 6234 B16R1.51 COCCNC(=O)CCc1ccc(cc1)I 240690a_100000209980_100011217499 [0,2,0,0,0,0|0,0,2]=4 6235 B16R1.51 COCCNC(=O)CCc1ccc(cc1)I 527a_100000209980_100011217499 [0,2,0,0,0,0|0,0,2]=4 6236 B16R1.51 COCCNC(=O)CCc1ccc(cc1)O 240690a_100000209980_100000742835 [0,2,0,0,0,0|0,0,2]=4 6237 B16R1.51 COCCNC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000183275 [0,2,0,0,0,0|1,0,1]=4 6238 B16R1.51 COCCNC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000183275 [0,2,0,0,0,0|1,0,1]=4 6239 B16R1.51 COCCNC(=O)CNc1ccc(cc1)C 34a_100000124888_100000183275 [0,2,0,0,0,0|1,0,1]=4 6240 B16R1.51 COCCNC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000183275 [0,2,0,0,0,0|1,0,1]=4 6241 B16R1.51 COCCNC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000183275 [0,2,0,0,0,0|1,0,1]=4 6242 B16R1.51 COCCNC(=O)CNc1ccc(cc1)F 34a_100000185862_100000183275 [0,2,0,0,0,0|1,0,1]=4 6243 B16R1.51 COCCNC(=O)CNc1ccc(cc1)I 34a_100000185761_100000183275 [0,2,0,0,0,0|1,0,1]=4 6244 B16R1.51 COCCNC(=O)CNc1ccc(cc1)O 34a_100000185829_100000183275 [0,2,0,0,0,0|1,0,1]=4 6245 B16R1.51 COCCNC(=O)COc1ccc(cc1)Br 1626a_100000209980_100000182358 [0,2,0,0,0,0|1,0,1]=4 6246 B16R1.51 COCCNC(=O)COc1ccc(cc1)Br 240690a_100000209980_100000182358 [0,2,0,0,0,0|1,0,1]=4 6247 B16R1.51 COCCNC(=O)COc1ccc(cc1)Br 34a_100000185759_100000183275 [0,2,0,0,0,0|1,0,1]=4 6248 B16R1.51 COCCNC(=O)COc1ccc(cc1)Br 34a_200000158804_200000210301 [0,2,0,0,0,0|1,0,1]=4 6249 B16R1.51 COCCNC(=O)COc1ccc(cc1)Br 527a_100000209980_100000182358 [0,2,0,0,0,0|1,0,1]=4 6250 B16R1.51 COCCNC(=O)COc1ccc(cc1)Br 7a_100000185759_100000183275 [0,2,0,0,0,0|1,0,1]=4 6251 B16R1.51 COCCNC(=O)COc1ccc(cc1)Br 7a_200000158804_200000210301 [0,2,0,0,0,0|1,0,1]=4 6252 B16R1.51 COCCNC(=O)COc1ccc(cc1)C 1626a_100000209980_100000182360 [0,2,0,0,0,0|1,0,1]=4 6253 B16R1.51 COCCNC(=O)COc1ccc(cc1)C 240690a_100000209980_100000182360 [0,2,0,0,0,0|1,0,1]=4 6254 B16R1.51 COCCNC(=O)COc1ccc(cc1)C 34a_100000210336_100000183275 [0,2,0,0,0,0|1,0,1]=4 6255 B16R1.51 COCCNC(=O)COc1ccc(cc1)C 527a_100000209980_100000182360 [0,2,0,0,0,0|1,0,1]=4 6256 B16R1.51 COCCNC(=O)COc1ccc(cc1)C 7a_100000210336_100000183275 [0,2,0,0,0,0|1,0,1]=4 6257 B16R1.51 COCCNC(=O)COc1ccc(cc1)Cl 1626a_100000209980_100016990877 [0,2,0,0,0,0|1,0,1]=4 6258 B16R1.51 COCCNC(=O)COc1ccc(cc1)Cl 240690a_100000209980_100016990877 [0,2,0,0,0,0|1,0,1]=4 6259 B16R1.51 COCCNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183275 [0,2,0,0,0,0|1,0,1]=4 6260 B16R1.51 COCCNC(=O)COc1ccc(cc1)Cl 527a_100000209980_100016990877 [0,2,0,0,0,0|1,0,1]=4 6261 B16R1.51 COCCNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183275 [0,2,0,0,0,0|1,0,1]=4 6262 B16R1.51 COCCNC(=O)COc1ccc(cc1)F 1626a_100000209980_100000184765 [0,2,0,0,0,0|1,0,1]=4 6263 B16R1.51 COCCNC(=O)COc1ccc(cc1)F 240690a_100000209980_100000184765 [0,2,0,0,0,0|1,0,1]=4 6264 B16R1.51 COCCNC(=O)COc1ccc(cc1)F 34a_100000210339_100000183275 [0,2,0,0,0,0|1,0,1]=4 6265 B16R1.51 COCCNC(=O)COc1ccc(cc1)F 527a_100000209980_100000184765 [0,2,0,0,0,0|1,0,1]=4 6266 B16R1.51 COCCNC(=O)COc1ccc(cc1)I 1626a_100000209980_100000184369 [0,2,0,0,0,0|1,0,1]=4 6267 B16R1.51 COCCNC(=O)COc1ccc(cc1)I 240690a_100000209980_100000184369 [0,2,0,0,0,0|1,0,1]=4 6268 B16R1.51 COCCNC(=O)COc1ccc(cc1)I 34a_100000212066_100000183275 [0,2,0,0,0,0|1,0,1]=4 6269 B16R1.51 COCCNC(=O)COc1ccc(cc1)I 527a_100000209980_100000184369 [0,2,0,0,0,0|1,0,1]=4 6270 B16R1.51 COCCNC(=O)COc1ccc(cc1)I 7a_100000212066_100000183275 [0,2,0,0,0,0|1,0,1]=4 6271 B16R1.51 COCCNC(=O)COc1ccc(cc1)N 34a_100000185829_100000183275 [0,2,0,0,0,0|1,0,1]=4 6272 B16R1.51 COCCNC(=O)COc1ccc(cc1)O 240690a_100000209980_100000031633 [0,2,0,0,0,0|1,0,1]=4 6273 B16R1.51 COCCNC(=O)COc1ccc(cc1)O 527a_100000209980_100000031633 [0,2,0,0,0,0|1,0,1]=4 6274 B16R1.51 COCCNC(=O)CSc1ccc(cc1)Br 1626a_100000209980_100000179496 [0,2,0,0,0,0|1,0,1]=4 6275 B16R1.51 COCCNC(=O)CSc1ccc(cc1)Br 240690a_100000209980_100000179496 [0,2,0,0,0,0|1,0,1]=4 6276 B16R1.51 COCCNC(=O)CSc1ccc(cc1)Br 527a_100000209980_100000179496 [0,2,0,0,0,0|1,0,1]=4 6277 B16R1.51 COCCNC(=O)CSc1ccc(cc1)Br 62a_100000183275_100000752885 [0,2,0,0,0,0|1,0,1]=4 6278 B16R1.51 COCCNC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000183275 [0,2,0,0,0,0|1,0,1]=4 6279 B16R1.51 COCCNC(=O)CSc1ccc(cc1)C 1626a_100000209980_100000179497 [0,2,0,0,0,0|1,0,1]=4 6280 B16R1.51 COCCNC(=O)CSc1ccc(cc1)C 240690a_100000209980_100000179497 [0,2,0,0,0,0|1,0,1]=4 6281 B16R1.51 COCCNC(=O)CSc1ccc(cc1)C 527a_100000209980_100000179497 [0,2,0,0,0,0|1,0,1]=4 6282 B16R1.51 COCCNC(=O)CSc1ccc(cc1)C 62a_100000183275_100000186775 [0,2,0,0,0,0|1,0,1]=4 6283 B16R1.51 COCCNC(=O)CSc1ccc(cc1)C 62a_100000186775_100000183275 [0,2,0,0,0,0|1,0,1]=4 6284 B16R1.51 COCCNC(=O)CSc1ccc(cc1)Cl 1626a_100000209980_100000178402 [0,2,0,0,0,0|1,0,1]=4 6285 B16R1.51 COCCNC(=O)CSc1ccc(cc1)Cl 240690a_100000209980_100000178402 [0,2,0,0,0,0|1,0,1]=4 6286 B16R1.51 COCCNC(=O)CSc1ccc(cc1)Cl 527a_100000209980_100000178402 [0,2,0,0,0,0|1,0,1]=4 6287 B16R1.51 COCCNC(=O)CSc1ccc(cc1)Cl 62a_100000183275_100000755918 [0,2,0,0,0,0|1,0,1]=4 6288 B16R1.51 COCCNC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000183275 [0,2,0,0,0,0|1,0,1]=4 6289 B16R1.51 COCCNC(=O)CSc1ccc(cc1)F 1626a_100000209980_100000691584 [0,2,0,0,0,0|1,0,1]=4 6290 B16R1.51 COCCNC(=O)CSc1ccc(cc1)F 240690a_100000209980_100000691584 [0,2,0,0,0,0|1,0,1]=4 6291 B16R1.51 COCCNC(=O)CSc1ccc(cc1)F 527a_100000209980_100000691584 [0,2,0,0,0,0|1,0,1]=4 6292 B16R1.51 COCCNC(=O)CSc1ccc(cc1)F 62a_100000183275_100000211213 [0,2,0,0,0,0|1,0,1]=4 6293 B16R1.51 COCCNC(=O)CSc1ccc(cc1)F 62a_100000211213_100000183275 [0,2,0,0,0,0|1,0,1]=4 6294 B16R1.51 COCCNC(=O)CSc1ccc(cc1)N 62a_100000183275_100000185761 [0,2,0,0,0,0|1,0,1]=4 6295 B16R1.51 COCCNC(=O)CSc1ccc(cc1)N 62a_100000185761_100000183275 [0,2,0,0,0,0|1,0,1]=4 6296 B16R1.51 COCCNC(=O)CSc1ccc(cc1)O 62a_100000183275_100000185759 [0,2,0,0,0,0|1,0,1]=4 6297 B16R1.51 COCCNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_100000209980 [0,2,0,0,0,0|1,0,1]=4 6298 B16R1.51 COCCNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100000209980 [0,2,0,0,0,0|1,0,1]=4 6299 B16R1.51 COCCNC(=O)NCc1ccc(cc1)Br 273464a_100000209980_100000174875 [0,2,0,0,0,0|1,0,1]=4 6300 B16R1.51 COCCNC(=O)NCc1ccc(cc1)C 2708a_100000174908_100000209980 [0,2,0,0,0,0|1,0,1]=4 6301 B16R1.51 COCCNC(=O)NCc1ccc(cc1)C 273464a_100000174908_100000209980 [0,2,0,0,0,0|1,0,1]=4 6302 B16R1.51 COCCNC(=O)NCc1ccc(cc1)C 273464a_100000209980_100000174908 [0,2,0,0,0,0|1,0,1]=4 6303 B16R1.51 COCCNC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_100000209980 [0,2,0,0,0,0|1,0,1]=4 6304 B16R1.51 COCCNC(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100000209980 [0,2,0,0,0,0|1,0,1]=4 6305 B16R1.51 COCCNC(=O)NCc1ccc(cc1)Cl 273464a_100000209980_100000174871 [0,2,0,0,0,0|1,0,1]=4 6306 B16R1.51 COCCNC(=O)NCc1ccc(cc1)F 2708a_100000174882_100000209980 [0,2,0,0,0,0|1,0,1]=4 6307 B16R1.51 COCCNC(=O)NCc1ccc(cc1)F 273464a_100000174882_100000209980 [0,2,0,0,0,0|1,0,1]=4 6308 B16R1.51 COCCNC(=O)NCc1ccc(cc1)F 273464a_100000209980_100000174882 [0,2,0,0,0,0|1,0,1]=4 6309 B16R1.51 COCCNC(=O)NCc1ccc(cc1)I 2708a_100016989417_100000209980 [0,2,0,0,0,0|1,0,1]=4 6310 B16R1.51 COCCNC(=O)NCc1ccc(cc1)I 273464a_100000209980_100016989417 [0,2,0,0,0,0|1,0,1]=4 6311 B16R1.51 COCCNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100000209980 [0,2,0,0,0,0|1,0,1]=4 6312 B16R1.51 COCCNC(=O)NCc1ccc(cc1)O 2708a_100000185549_100000209980 [0,2,0,0,0,0|1,0,1]=4 6313 B16R1.51 COCCNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100000209980 [0,2,0,0,0,0|1,0,1]=4 6314 B16R1.51 COCCNC(=O)NCc1ccc(cc1)O 273464a_100000209980_100000185549 [0,2,0,0,0,0|1,0,1]=4 6315 B16R1.51 COCCNC(=O)NNc1ccc(cc1)Br 273464a_100000209980_100000735608 [0,2,0,0,0,0|2,0,0]=4 6316 B16R1.51 COCCNC(=O)NNc1ccc(cc1)C 273464a_100000209980_100000683527 [0,2,0,0,0,0|2,0,0]=4 6317 B16R1.51 COCCNC(=O)NNc1ccc(cc1)Cl 273464a_100000209980_100000683521 [0,2,0,0,0,0|2,0,0]=4 6318 B16R1.51 COCCNC(=O)NNc1ccc(cc1)F 273464a_100000209980_100000728448 [0,2,0,0,0,0|2,0,0]=4 6319 B16R1.51 COCCNC(=O)NNc1ccc(cc1)I 273464a_100000209980_100016988836 [0,2,0,0,0,0|2,0,0]=4 6320 B16R1.51 CSCCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011399439 [0,2,0,0,0,0|1,1,0]=4 6321 B16R1.51 CSCCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011399439 [0,2,0,0,0,0|1,1,0]=4 6322 B16R1.51 CSCCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011399439 [0,2,0,0,0,0|1,1,0]=4 6323 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Br 11a_100020590264_100016267368 [0,2,0,0,0,0|0,1,0]=3 6324 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100020590264_100016267368 [0,2,0,0,0,0|0,1,0]=3 6325 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)C 11a_100020590264_100000716854 [0,2,0,0,0,0|0,1,0]=3 6326 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)C 1626a_100020590264_100000716854 [0,2,0,0,0,0|0,1,0]=3 6327 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)C 240690a_100020590264_100000716854 [0,2,0,0,0,0|0,1,0]=3 6328 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100020590264_100000184863 [0,2,0,0,0,0|0,1,0]=3 6329 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100020590264_100000184863 [0,2,0,0,0,0|0,1,0]=3 6330 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100020590264_100000184863 [0,2,0,0,0,0|0,1,0]=3 6331 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)F 11a_100020590264_100000182136 [0,2,0,0,0,0|0,1,0]=3 6332 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)F 1626a_100020590264_100000182136 [0,2,0,0,0,0|0,1,0]=3 6333 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)F 240690a_100020590264_100000182136 [0,2,0,0,0,0|0,1,0]=3 6334 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)I 11a_100020590264_100102526154 [0,2,0,0,0,0|0,1,0]=3 6335 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)I 1626a_100020590264_100102526154 [0,2,0,0,0,0|0,1,0]=3 6336 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)I 240690a_100020590264_100102526154 [0,2,0,0,0,0|0,1,0]=3 6337 B16R1.51 CSCCNC(=O)C=Cc1ccc(cc1)O 240690a_100020590264_100016269017 [0,2,0,0,0,0|0,1,0]=3 6338 B16R1.51 CSCCNC(=O)C=Cc1ccc(cn1)F 11a_100020590264_100020630499 [0,2,0,0,0,0|1,1,0]=4 6339 B16R1.51 CSCCNC(=O)C=Cc1ccc(cn1)F 1626a_100020590264_100020630499 [0,2,0,0,0,0|1,1,0]=4 6340 B16R1.51 CSCCNC(=O)C=Cc1ccc(cn1)F 240690a_100020590264_100020630499 [0,2,0,0,0,0|1,1,0]=4 6341 B16R1.51 CSCCNC(=O)C=Cc1ccc(nc1)Br 11a_100020590264_100020588214 [0,2,0,0,0,0|1,1,0]=4 6342 B16R1.51 CSCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100020590264_100020588214 [0,2,0,0,0,0|1,1,0]=4 6343 B16R1.51 CSCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100020590264_100020588214 [0,2,0,0,0,0|1,1,0]=4 6344 B16R1.51 Cc1ccc(cc1)C=CC(=O)CC#CCO 1458a_100000716854_200000047223 [0,2,0,0,0,0|1,0,1]=4 6345 B16R1.51 Cc1ccc(cc1)C=CC(=O)CCCC#N 1458a_100000716854_100000211468 [0,2,0,0,0,0|2,0,0]=4 6346 B16R1.51 Cc1ccc(cc1)C=CC(=O)CCCCF 1458a_100000716854_100000729493 [0,2,0,0,0,0|2,0,0]=4 6347 B16R1.51 Cc1ccc(cc1)C=CC(=O)CCCCO 1458a_100000716854_100000210776 [0,2,0,0,0,0|1,0,0]=3 6348 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCC#N 11a_100000720768_100000716854 [0,2,0,0,0,0|1,0,0]=3 6349 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCC#N 1626a_100000720768_100000716854 [0,2,0,0,0,0|1,0,0]=3 6350 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCC#N 240690a_100000720768_100000716854 [0,2,0,0,0,0|1,0,0]=3 6351 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCF 11a_100015189416_100000716854 [0,2,0,0,0,0|1,0,0]=3 6352 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCF 1626a_100015189416_100000716854 [0,2,0,0,0,0|1,0,0]=3 6353 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCF 240690a_100015189416_100000716854 [0,2,0,0,0,0|1,0,0]=3 6354 B16R1.51 Cc1ccc(cc1)C=CC(=O)NCCCO 240690a_100000182051_100000716854 [0,2,0,0,0,0|0,0,0]=2 6355 B16R1.51 Cc1ccc(cc1)C=CC(=O)NNCCO 22a_100000210001_100000716854 [0,2,0,0,0,0|0,0,0]=2 6356 B16R1.51 Cc1ccc(cc1)CCC(=O)NCCCO 240690a_100000182051_100000234883 [0,2,0,0,0,0|0,0,2]=4 6357 B16R1.51 Cc1ccc(cc1)CCC(=O)NCCCO 527a_100000182051_100000234883 [0,2,0,0,0,0|0,0,2]=4 6358 B16R1.51 Cc1ccc(cc1)CCC(=O)NNCCO 22a_100000210001_100000234883 [0,2,0,0,0,0|0,0,2]=4 6359 B16R1.51 Cc1ccc(cc1)CNC(=O)CNCCO 2230a_100016997473_100000183211 [0,2,0,0,0,0|1,0,1]=4 6360 B16R1.51 Cc1ccc(cc1)CNC(=O)CNCCO 34a_100016990907_100000183211 [0,2,0,0,0,0|1,0,1]=4 6361 B16R1.51 Cc1ccc(cc1)CNC(=O)NCCCO 2708a_100000174908_100000182051 [0,2,0,0,0,0|1,0,1]=4 6362 B16R1.51 Cc1ccc(cc1)CNC(=O)NCCCO 273464a_100000174908_100000182051 [0,2,0,0,0,0|1,0,1]=4 6363 B16R1.51 Cc1ccc(cc1)CNC(=O)NCCCO 273464a_100000182051_100000174908 [0,2,0,0,0,0|1,0,1]=4 6364 B16R1.51 Cc1ccc(cc1)CNC(=O)NCCCO 512a_100000174908_100000182051 [0,2,0,0,0,0|1,0,1]=4 6365 B16R1.51 Cc1ccc(cc1)CNC(=O)NNCCO 273464a_100000174908_100000210001 [0,2,0,0,0,0|1,0,1]=4 6366 B16R1.51 Cc1ccc(cc1)CNC(=O)NNCCO 512a_100000174908_100000210001 [0,2,0,0,0,0|1,0,1]=4 6367 B16R1.51 Cc1ccc(cc1)NNC(=O)NCCCO 273464a_100000182051_100000683527 [0,2,0,0,0,0|2,0,0]=4 6368 B16R1.51 Cc1ccc(cc1)OCC(=O)NCCCO 240690a_100000182051_100000182360 [0,2,0,0,0,0|1,0,1]=4 6369 B16R1.51 Cc1ccc(cc1)OCC(=O)NCCCO 527a_100000182051_100000182360 [0,2,0,0,0,0|1,0,1]=4 6370 B16R1.51 Cc1ccc(cc1)OCC(=O)NNCCO 22a_100000210001_100000182360 [0,2,0,0,0,0|1,0,1]=4 6371 B16R1.51 Cc1ccc(cc1)SCC(=O)NCCCO 240690a_100000182051_100000179497 [0,2,0,0,0,0|1,0,1]=4 6372 B16R1.51 Cc1ccc(cc1)SCC(=O)NCCCO 527a_100000182051_100000179497 [0,2,0,0,0,0|1,0,1]=4 6373 B16R1.51 Cc1ccc(cc1)SCC(=O)NNCCO 22a_100000210001_100000179497 [0,2,0,0,0,0|1,0,1]=4 6374 B16R1.51 N#CCCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000211468 [0,2,0,0,0,0|2,0,0]=4 6375 B16R1.51 N#CCCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000211468 [0,2,0,0,0,0|2,0,0]=4 6376 B16R1.51 N#CCCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000211468 [0,2,0,0,0,0|2,0,0]=4 6377 B16R1.51 N#CCCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000211468 [0,2,0,0,0,0|2,0,0]=4 6378 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Br 11a_100000720768_100016267368 [0,2,0,0,0,0|1,0,0]=3 6379 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Br 1626a_100000720768_100016267368 [0,2,0,0,0,0|1,0,0]=3 6380 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Cl 11a_100000720768_100000184863 [0,2,0,0,0,0|1,0,0]=3 6381 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000720768_100000184863 [0,2,0,0,0,0|1,0,0]=3 6382 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000720768_100000184863 [0,2,0,0,0,0|1,0,0]=3 6383 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)F 11a_100000720768_100000182136 [0,2,0,0,0,0|1,0,0]=3 6384 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)F 1626a_100000720768_100000182136 [0,2,0,0,0,0|1,0,0]=3 6385 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)F 240690a_100000720768_100000182136 [0,2,0,0,0,0|1,0,0]=3 6386 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)I 11a_100000720768_100102526154 [0,2,0,0,0,0|1,0,0]=3 6387 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)I 1626a_100000720768_100102526154 [0,2,0,0,0,0|1,0,0]=3 6388 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)I 240690a_100000720768_100102526154 [0,2,0,0,0,0|1,0,0]=3 6389 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cc1)O 240690a_100000720768_100016269017 [0,2,0,0,0,0|1,0,0]=3 6390 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cn1)F 11a_100000720768_100020630499 [0,2,0,0,0,0|2,0,0]=4 6391 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cn1)F 1626a_100000720768_100020630499 [0,2,0,0,0,0|2,0,0]=4 6392 B16R1.51 N#CCCNC(=O)C=Cc1ccc(cn1)F 240690a_100000720768_100020630499 [0,2,0,0,0,0|2,0,0]=4 6393 B16R1.51 N#CCCNC(=O)C=Cc1ccc(nc1)Br 11a_100000720768_100020588214 [0,2,0,0,0,0|2,0,0]=4 6394 B16R1.51 N#CCCNC(=O)C=Cc1ccc(nc1)Br 1626a_100000720768_100020588214 [0,2,0,0,0,0|2,0,0]=4 6395 B16R1.51 N#CCCNC(=O)C=Cc1ccc(nc1)Br 240690a_100000720768_100020588214 [0,2,0,0,0,0|2,0,0]=4 6396 B16R1.51 O=C(C#Cc1ccc(cc1)Br)NNCCO 22a_100000210001_100012100275 [0,2,0,0,0,0|0,0,2]=4 6397 B16R1.51 O=C(C#Cc1ccc(cc1)Cl)NCCCO 240690a_100000182051_100011892723 [0,2,0,0,0,0|0,0,2]=4 6398 B16R1.51 O=C(C#Cc1ccc(cc1)Cl)NNCCO 22a_100000210001_100011892723 [0,2,0,0,0,0|0,0,2]=4 6399 B16R1.51 O=C(C#Cc1ccc(cc1)F)NCCCO 240690a_100000182051_100000238512 [0,2,0,0,0,0|0,0,2]=4 6400 B16R1.51 O=C(C#Cc1ccc(cc1)F)NNCCO 22a_100000210001_100000238512 [0,2,0,0,0,0|0,0,2]=4 6401 B16R1.51 O=C(C=Cc1ccc(cc1)Br)CC#CCO 1458a_100016267368_200000047223 [0,2,0,0,0,0|1,0,1]=4 6402 B16R1.51 O=C(C=Cc1ccc(cc1)Br)CCCCBr 6a_100000186029_100009817362 [0,2,0,0,0,0|2,0,0]=4 6403 B16R1.51 O=C(C=Cc1ccc(cc1)Br)CCCCCl 6a_100000186029_100000735457 [0,2,0,0,0,0|2,0,0]=4 6404 B16R1.51 O=C(C=Cc1ccc(cc1)Br)CCCCF 1458a_100016267368_100000729493 [0,2,0,0,0,0|2,0,0]=4 6405 B16R1.51 O=C(C=Cc1ccc(cc1)Br)CCCCO 1458a_100016267368_100000210776 [0,2,0,0,0,0|1,0,0]=3 6406 B16R1.51 O=C(C=Cc1ccc(cc1)Br)NCCCF 11a_100015189416_100016267368 [0,2,0,0,0,0|1,0,0]=3 6407 B16R1.51 O=C(C=Cc1ccc(cc1)Br)NCCCF 1626a_100015189416_100016267368 [0,2,0,0,0,0|1,0,0]=3 6408 B16R1.51 O=C(C=Cc1ccc(cc1)Br)NNCCO 22a_100000210001_100016267368 [0,2,0,0,0,0|0,0,0]=2 6409 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)CC#CCO 1458a_100000184863_200000047223 [0,2,0,0,0,0|1,0,1]=4 6410 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)CCCCF 1458a_100000184863_100000729493 [0,2,0,0,0,0|2,0,0]=4 6411 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)CCCCO 1458a_100000184863_100000210776 [0,2,0,0,0,0|1,0,0]=3 6412 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCF 11a_100015189416_100000184863 [0,2,0,0,0,0|1,0,0]=3 6413 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCF 1626a_100015189416_100000184863 [0,2,0,0,0,0|1,0,0]=3 6414 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCF 240690a_100015189416_100000184863 [0,2,0,0,0,0|1,0,0]=3 6415 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NCCCO 240690a_100000182051_100000184863 [0,2,0,0,0,0|0,0,0]=2 6416 B16R1.51 O=C(C=Cc1ccc(cc1)Cl)NNCCO 22a_100000210001_100000184863 [0,2,0,0,0,0|0,0,0]=2 6417 B16R1.51 O=C(C=Cc1ccc(cc1)F)CC#CCO 1458a_100000182136_200000047223 [0,2,0,0,0,0|1,0,1]=4 6418 B16R1.51 O=C(C=Cc1ccc(cc1)F)CCCCBr 6a_100000210084_100009817362 [0,2,0,0,0,0|2,0,0]=4 6419 B16R1.51 O=C(C=Cc1ccc(cc1)F)CCCCCl 6a_100000210084_100000735457 [0,2,0,0,0,0|2,0,0]=4 6420 B16R1.51 O=C(C=Cc1ccc(cc1)F)CCCCF 1458a_100000182136_100000729493 [0,2,0,0,0,0|2,0,0]=4 6421 B16R1.51 O=C(C=Cc1ccc(cc1)F)CCCCO 1458a_100000182136_100000210776 [0,2,0,0,0,0|1,0,0]=3 6422 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCF 11a_100015189416_100000182136 [0,2,0,0,0,0|1,0,0]=3 6423 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCF 1626a_100015189416_100000182136 [0,2,0,0,0,0|1,0,0]=3 6424 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCF 240690a_100015189416_100000182136 [0,2,0,0,0,0|1,0,0]=3 6425 B16R1.51 O=C(C=Cc1ccc(cc1)F)NCCCO 240690a_100000182051_100000182136 [0,2,0,0,0,0|0,0,0]=2 6426 B16R1.51 O=C(C=Cc1ccc(cc1)F)NNCCO 22a_100000210001_100000182136 [0,2,0,0,0,0|0,0,0]=2 6427 B16R1.51 O=C(C=Cc1ccc(cc1)I)CC#CCO 1458a_100102526154_200000047223 [0,2,0,0,0,0|1,0,1]=4 6428 B16R1.51 O=C(C=Cc1ccc(cc1)I)CCCCBr 6a_100000188517_100009817362 [0,2,0,0,0,0|2,0,0]=4 6429 B16R1.51 O=C(C=Cc1ccc(cc1)I)CCCCCl 6a_100000188517_100000735457 [0,2,0,0,0,0|2,0,0]=4 6430 B16R1.51 O=C(C=Cc1ccc(cc1)I)CCCCF 1458a_100102526154_100000729493 [0,2,0,0,0,0|2,0,0]=4 6431 B16R1.51 O=C(C=Cc1ccc(cc1)I)CCCCO 1458a_100102526154_100000210776 [0,2,0,0,0,0|1,0,0]=3 6432 B16R1.51 O=C(C=Cc1ccc(cc1)I)NCCCF 11a_100015189416_100102526154 [0,2,0,0,0,0|1,0,0]=3 6433 B16R1.51 O=C(C=Cc1ccc(cc1)I)NCCCF 1626a_100015189416_100102526154 [0,2,0,0,0,0|1,0,0]=3 6434 B16R1.51 O=C(C=Cc1ccc(cc1)I)NCCCF 240690a_100015189416_100102526154 [0,2,0,0,0,0|1,0,0]=3 6435 B16R1.51 O=C(C=Cc1ccc(cc1)I)NCCCO 240690a_100000182051_100102526154 [0,2,0,0,0,0|0,0,0]=2 6436 B16R1.51 O=C(C=Cc1ccc(cc1)I)NNCCO 22a_100000210001_100102526154 [0,2,0,0,0,0|0,0,0]=2 6437 B16R1.51 O=C(C=Cc1ccc(cc1)O)NCCCF 240690a_100015189416_100016269017 [0,2,0,0,0,0|1,0,0]=3 6438 B16R1.51 O=C(C=Cc1ccc(cc1)O)NCCCO 240690a_100000182051_100016269017 [0,2,0,0,0,0|0,0,0]=2 6439 B16R1.51 O=C(C=Cc1ccc(cc1)O)NNCCO 22a_100000210001_100016269017 [0,2,0,0,0,0|0,0,0]=2 6440 B16R1.51 O=C(C=Cc1ccc(cn1)F)CCCCO 1458a_100020630499_100000210776 [0,2,0,0,0,0|2,0,0]=4 6441 B16R1.51 O=C(C=Cc1ccc(cn1)F)NCCCF 11a_100015189416_100020630499 [0,2,0,0,0,0|2,0,0]=4 6442 B16R1.51 O=C(C=Cc1ccc(cn1)F)NCCCF 1626a_100015189416_100020630499 [0,2,0,0,0,0|2,0,0]=4 6443 B16R1.51 O=C(C=Cc1ccc(cn1)F)NCCCF 240690a_100015189416_100020630499 [0,2,0,0,0,0|2,0,0]=4 6444 B16R1.51 O=C(C=Cc1ccc(cn1)F)NCCCO 240690a_100000182051_100020630499 [0,2,0,0,0,0|1,0,0]=3 6445 B16R1.51 O=C(C=Cc1ccc(cn1)F)NNCCO 22a_100000210001_100020630499 [0,2,0,0,0,0|1,0,0]=3 6446 B16R1.51 O=C(C=Cc1ccc(nc1)Br)CCCCO 1458a_100020588214_100000210776 [0,2,0,0,0,0|2,0,0]=4 6447 B16R1.51 O=C(C=Cc1ccc(nc1)Br)NCCCF 11a_100015189416_100020588214 [0,2,0,0,0,0|2,0,0]=4 6448 B16R1.51 O=C(C=Cc1ccc(nc1)Br)NCCCF 1626a_100015189416_100020588214 [0,2,0,0,0,0|2,0,0]=4 6449 B16R1.51 O=C(C=Cc1ccc(nc1)Br)NCCCF 240690a_100015189416_100020588214 [0,2,0,0,0,0|2,0,0]=4 6450 B16R1.51 O=C(C=Cc1ccc(nc1)Br)NCCCO 240690a_100000182051_100020588214 [0,2,0,0,0,0|1,0,0]=3 6451 B16R1.51 O=C(C=Cc1ccc(nc1)Br)NNCCO 22a_100000210001_100020588214 [0,2,0,0,0,0|1,0,0]=3 6452 B16R1.51 O=C(CCc1ccc(cc1)Br)NCCCO 240690a_100000182051_100000217147 [0,2,0,0,0,0|0,0,2]=4 6453 B16R1.51 O=C(CCc1ccc(cc1)Br)NCCCO 527a_100000182051_100000217147 [0,2,0,0,0,0|0,0,2]=4 6454 B16R1.51 O=C(CCc1ccc(cc1)Br)NNCCO 22a_100000210001_100000217147 [0,2,0,0,0,0|0,0,2]=4 6455 B16R1.51 O=C(CCc1ccc(cc1)Cl)NCCCO 240690a_100000182051_100000235379 [0,2,0,0,0,0|0,0,2]=4 6456 B16R1.51 O=C(CCc1ccc(cc1)Cl)NCCCO 527a_100000182051_100000235379 [0,2,0,0,0,0|0,0,2]=4 6457 B16R1.51 O=C(CCc1ccc(cc1)Cl)NNCCO 22a_100000210001_100000235379 [0,2,0,0,0,0|0,0,2]=4 6458 B16R1.51 O=C(CCc1ccc(cc1)F)NCCCO 240690a_100000182051_100000198493 [0,2,0,0,0,0|0,0,2]=4 6459 B16R1.51 O=C(CCc1ccc(cc1)F)NCCCO 527a_100000182051_100000198493 [0,2,0,0,0,0|0,0,2]=4 6460 B16R1.51 O=C(CCc1ccc(cc1)F)NNCCO 22a_100000210001_100000198493 [0,2,0,0,0,0|0,0,2]=4 6461 B16R1.51 O=C(CCc1ccc(cc1)I)NCCCO 240690a_100000182051_100011217499 [0,2,0,0,0,0|0,0,2]=4 6462 B16R1.51 O=C(CCc1ccc(cc1)I)NCCCO 527a_100000182051_100011217499 [0,2,0,0,0,0|0,0,2]=4 6463 B16R1.51 O=C(CCc1ccc(cc1)I)NNCCO 22a_100000210001_100011217499 [0,2,0,0,0,0|0,0,2]=4 6464 B16R1.51 O=C(CCc1ccc(cc1)O)NCCCO 240690a_100000182051_100000742835 [0,2,0,0,0,0|0,0,2]=4 6465 B16R1.51 O=C(CCc1ccc(cc1)O)NNCCO 22a_100000210001_100000742835 [0,2,0,0,0,0|0,0,2]=4 6466 B16R1.51 O=C(CNCCO)NCc1ccc(cc1)Cl 2230a_100016997473_100000183476 [0,2,0,0,0,0|1,0,1]=4 6467 B16R1.51 O=C(CNCCO)NCc1ccc(cc1)Cl 34a_100016990907_100000183476 [0,2,0,0,0,0|1,0,1]=4 6468 B16R1.51 O=C(CNCCO)NCc1ccc(cc1)F 2230a_100016997473_100000182461 [0,2,0,0,0,0|1,0,1]=4 6469 B16R1.51 O=C(CNCCO)NCc1ccc(cc1)F 34a_100016990907_100000182461 [0,2,0,0,0,0|1,0,1]=4 6470 B16R1.51 O=C(COc1ccc(cc1)Br)NCCCO 240690a_100000182051_100000182358 [0,2,0,0,0,0|1,0,1]=4 6471 B16R1.51 O=C(COc1ccc(cc1)Br)NCCCO 527a_100000182051_100000182358 [0,2,0,0,0,0|1,0,1]=4 6472 B16R1.51 O=C(COc1ccc(cc1)Br)NNCCO 22a_100000210001_100000182358 [0,2,0,0,0,0|1,0,1]=4 6473 B16R1.51 O=C(COc1ccc(cc1)Cl)NCCCO 240690a_100000182051_100016990877 [0,2,0,0,0,0|1,0,1]=4 6474 B16R1.51 O=C(COc1ccc(cc1)Cl)NCCCO 527a_100000182051_100016990877 [0,2,0,0,0,0|1,0,1]=4 6475 B16R1.51 O=C(COc1ccc(cc1)Cl)NNCCO 22a_100000210001_100016990877 [0,2,0,0,0,0|1,0,1]=4 6476 B16R1.51 O=C(COc1ccc(cc1)F)NCCCO 240690a_100000182051_100000184765 [0,2,0,0,0,0|1,0,1]=4 6477 B16R1.51 O=C(COc1ccc(cc1)F)NCCCO 527a_100000182051_100000184765 [0,2,0,0,0,0|1,0,1]=4 6478 B16R1.51 O=C(COc1ccc(cc1)F)NNCCO 22a_100000210001_100000184765 [0,2,0,0,0,0|1,0,1]=4 6479 B16R1.51 O=C(COc1ccc(cc1)I)NCCCO 240690a_100000182051_100000184369 [0,2,0,0,0,0|1,0,1]=4 6480 B16R1.51 O=C(COc1ccc(cc1)I)NCCCO 527a_100000182051_100000184369 [0,2,0,0,0,0|1,0,1]=4 6481 B16R1.51 O=C(COc1ccc(cc1)I)NNCCO 22a_100000210001_100000184369 [0,2,0,0,0,0|1,0,1]=4 6482 B16R1.51 O=C(COc1ccc(cc1)O)NCCCO 240690a_100000182051_100000031633 [0,2,0,0,0,0|1,0,1]=4 6483 B16R1.51 O=C(COc1ccc(cc1)O)NCCCO 527a_100000182051_100000031633 [0,2,0,0,0,0|1,0,1]=4 6484 B16R1.51 O=C(COc1ccc(cc1)O)NNCCO 22a_100000210001_100000031633 [0,2,0,0,0,0|1,0,1]=4 6485 B16R1.51 O=C(CSc1ccc(cc1)Br)NCCCO 240690a_100000182051_100000179496 [0,2,0,0,0,0|1,0,1]=4 6486 B16R1.51 O=C(CSc1ccc(cc1)Br)NCCCO 527a_100000182051_100000179496 [0,2,0,0,0,0|1,0,1]=4 6487 B16R1.51 O=C(CSc1ccc(cc1)Br)NNCCO 22a_100000210001_100000179496 [0,2,0,0,0,0|1,0,1]=4 6488 B16R1.51 O=C(CSc1ccc(cc1)Cl)NCCCO 240690a_100000182051_100000178402 [0,2,0,0,0,0|1,0,1]=4 6489 B16R1.51 O=C(CSc1ccc(cc1)Cl)NCCCO 527a_100000182051_100000178402 [0,2,0,0,0,0|1,0,1]=4 6490 B16R1.51 O=C(CSc1ccc(cc1)Cl)NNCCO 22a_100000210001_100000178402 [0,2,0,0,0,0|1,0,1]=4 6491 B16R1.51 O=C(CSc1ccc(cc1)F)NCCCO 240690a_100000182051_100000691584 [0,2,0,0,0,0|1,0,1]=4 6492 B16R1.51 O=C(CSc1ccc(cc1)F)NCCCO 527a_100000182051_100000691584 [0,2,0,0,0,0|1,0,1]=4 6493 B16R1.51 O=C(CSc1ccc(cc1)F)NNCCO 22a_100000210001_100000691584 [0,2,0,0,0,0|1,0,1]=4 6494 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)Br 2708a_100000174875_100000182051 [0,2,0,0,0,0|1,0,1]=4 6495 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)Br 273464a_100000174875_100000182051 [0,2,0,0,0,0|1,0,1]=4 6496 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)Br 273464a_100000182051_100000174875 [0,2,0,0,0,0|1,0,1]=4 6497 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)Br 512a_100000174875_100000182051 [0,2,0,0,0,0|1,0,1]=4 6498 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)Cl 2708a_100000174871_100000182051 [0,2,0,0,0,0|1,0,1]=4 6499 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)Cl 273464a_100000174871_100000182051 [0,2,0,0,0,0|1,0,1]=4 6500 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)Cl 273464a_100000182051_100000174871 [0,2,0,0,0,0|1,0,1]=4 6501 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)F 2708a_100000174882_100000182051 [0,2,0,0,0,0|1,0,1]=4 6502 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)F 273464a_100000174882_100000182051 [0,2,0,0,0,0|1,0,1]=4 6503 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)F 273464a_100000182051_100000174882 [0,2,0,0,0,0|1,0,1]=4 6504 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)F 512a_100000174882_100000182051 [0,2,0,0,0,0|1,0,1]=4 6505 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)I 2708a_100016989417_100000182051 [0,2,0,0,0,0|1,0,1]=4 6506 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)I 273464a_100000182051_100016989417 [0,2,0,0,0,0|1,0,1]=4 6507 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)I 273464a_100016989417_100000182051 [0,2,0,0,0,0|1,0,1]=4 6508 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)I 512a_100016989417_100000182051 [0,2,0,0,0,0|1,0,1]=4 6509 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)O 2708a_100000185549_100000182051 [0,2,0,0,0,0|1,0,1]=4 6510 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)O 273464a_100000182051_100000185549 [0,2,0,0,0,0|1,0,1]=4 6511 B16R1.51 O=C(NCCCO)NCc1ccc(cc1)O 273464a_100000185549_100000182051 [0,2,0,0,0,0|1,0,1]=4 6512 B16R1.51 O=C(NCCCO)NNc1ccc(cc1)Br 273464a_100000182051_100000735608 [0,2,0,0,0,0|2,0,0]=4 6513 B16R1.51 O=C(NCCCO)NNc1ccc(cc1)Cl 273464a_100000182051_100000683521 [0,2,0,0,0,0|2,0,0]=4 6514 B16R1.51 O=C(NCCCO)NNc1ccc(cc1)F 273464a_100000182051_100000728448 [0,2,0,0,0,0|2,0,0]=4 6515 B16R1.51 O=C(NCCCO)NNc1ccc(cc1)I 273464a_100000182051_100016988836 [0,2,0,0,0,0|2,0,0]=4 6516 B16R1.51 O=C(NCc1ccc(cc1)Br)NNCCO 273464a_100000174875_100000210001 [0,2,0,0,0,0|1,0,1]=4 6517 B16R1.51 O=C(NCc1ccc(cc1)Br)NNCCO 512a_100000174875_100000210001 [0,2,0,0,0,0|1,0,1]=4 6518 B16R1.51 O=C(NCc1ccc(cc1)Cl)NNCCO 273464a_100000174871_100000210001 [0,2,0,0,0,0|1,0,1]=4 6519 B16R1.51 O=C(NCc1ccc(cc1)F)NNCCO 273464a_100000174882_100000210001 [0,2,0,0,0,0|1,0,1]=4 6520 B16R1.51 O=C(NCc1ccc(cc1)F)NNCCO 512a_100000174882_100000210001 [0,2,0,0,0,0|1,0,1]=4 6521 B16R1.51 O=C(NCc1ccc(cc1)I)NNCCO 273464a_100016989417_100000210001 [0,2,0,0,0,0|1,0,1]=4 6522 B16R1.51 O=C(NCc1ccc(cc1)I)NNCCO 512a_100016989417_100000210001 [0,2,0,0,0,0|1,0,1]=4 6523 B16R1.51 [13CH3]OCCNC(=O)COc1ccc(cc1)Br 34a_200000158804_200025704644 [0,2,0,0,0,0|1,0,1]=4 6524 B16R1.51 [13CH3]OCCNC(=O)COc1ccc(cc1)Br 7a_200000158804_200025704644 [0,2,0,0,0,0|1,0,1]=4 6525 B16R1.52 C#CCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000731252 [0,2,0,0,0,0|2,0,0]=4 6526 B16R1.52 C#CCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000731252 [0,2,0,0,0,0|2,0,0]=4 6527 B16R1.52 C#CCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000731252 [0,2,0,0,0,0|2,0,0]=4 6528 B16R1.52 C#CCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000731252 [0,2,0,0,0,0|2,0,0]=4 6529 B16R1.52 C#CCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000731252 [0,2,0,0,0,0|2,0,0]=4 6530 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Br 11a_100000755551_100016258244 [0,2,0,0,0,0|1,0,0]=3 6531 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000755551_100016258244 [0,2,0,0,0,0|1,0,0]=3 6532 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000755551_100016258244 [0,2,0,0,0,0|1,0,0]=3 6533 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)C 11a_100000755551_100000690095 [0,2,0,0,0,0|1,0,0]=3 6534 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)C 1626a_100000755551_100000690095 [0,2,0,0,0,0|1,0,0]=3 6535 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)C 240690a_100000755551_100000690095 [0,2,0,0,0,0|1,0,0]=3 6536 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Cl 11a_100000755551_100000184502 [0,2,0,0,0,0|1,0,0]=3 6537 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000755551_100000184502 [0,2,0,0,0,0|1,0,0]=3 6538 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000755551_100000184502 [0,2,0,0,0,0|1,0,0]=3 6539 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)F 11a_100000755551_100000718793 [0,2,0,0,0,0|1,0,0]=3 6540 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)F 1626a_100000755551_100000718793 [0,2,0,0,0,0|1,0,0]=3 6541 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)F 240690a_100000755551_100000718793 [0,2,0,0,0,0|1,0,0]=3 6542 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)I 11a_100000755551_100020647043 [0,2,0,0,0,0|1,0,0]=3 6543 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)I 1626a_100000755551_100020647043 [0,2,0,0,0,0|1,0,0]=3 6544 B16R1.52 C#CCCNC(=O)C=Cc1cccc(c1)I 240690a_100000755551_100020647043 [0,2,0,0,0,0|1,0,0]=3 6545 B16R1.52 C=CCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000757094 [0,2,0,0,0,0|2,0,0]=4 6546 B16R1.52 C=CCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000757094 [0,2,0,0,0,0|2,0,0]=4 6547 B16R1.52 C=CCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000757094 [0,2,0,0,0,0|2,0,0]=4 6548 B16R1.52 C=CCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000757094 [0,2,0,0,0,0|2,0,0]=4 6549 B16R1.52 C=CCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000757094 [0,2,0,0,0,0|2,0,0]=4 6550 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Br 11a_100015191253_100016258244 [0,2,0,0,0,0|1,0,0]=3 6551 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Br 1626a_100015191253_100016258244 [0,2,0,0,0,0|1,0,0]=3 6552 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Br 240690a_100015191253_100016258244 [0,2,0,0,0,0|1,0,0]=3 6553 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)C 11a_100015191253_100000690095 [0,2,0,0,0,0|1,0,0]=3 6554 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)C 1626a_100015191253_100000690095 [0,2,0,0,0,0|1,0,0]=3 6555 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)C 240690a_100015191253_100000690095 [0,2,0,0,0,0|1,0,0]=3 6556 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Cl 11a_100015191253_100000184502 [0,2,0,0,0,0|1,0,0]=3 6557 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100015191253_100000184502 [0,2,0,0,0,0|1,0,0]=3 6558 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100015191253_100000184502 [0,2,0,0,0,0|1,0,0]=3 6559 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)F 11a_100015191253_100000718793 [0,2,0,0,0,0|1,0,0]=3 6560 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)F 1626a_100015191253_100000718793 [0,2,0,0,0,0|1,0,0]=3 6561 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)F 240690a_100015191253_100000718793 [0,2,0,0,0,0|1,0,0]=3 6562 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)I 11a_100015191253_100020647043 [0,2,0,0,0,0|1,0,0]=3 6563 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)I 1626a_100015191253_100020647043 [0,2,0,0,0,0|1,0,0]=3 6564 B16R1.52 C=CCCNC(=O)C=Cc1cccc(c1)I 240690a_100015191253_100020647043 [0,2,0,0,0,0|1,0,0]=3 6565 B16R1.52 C=CCNNC(=O)C=Cc1cccc(c1)Br 22a_100020588587_100016258244 [0,2,0,0,0,0|1,0,1]=4 6566 B16R1.52 C=CCNNC(=O)C=Cc1cccc(c1)C 22a_100020588587_100000690095 [0,2,0,0,0,0|1,0,1]=4 6567 B16R1.52 C=CCNNC(=O)C=Cc1cccc(c1)Cl 22a_100020588587_100000184502 [0,2,0,0,0,0|1,0,1]=4 6568 B16R1.52 C=CCNNC(=O)C=Cc1cccc(c1)F 22a_100020588587_100000718793 [0,2,0,0,0,0|1,0,1]=4 6569 B16R1.52 C=CCNNC(=O)C=Cc1cccc(c1)I 22a_100020588587_100020647043 [0,2,0,0,0,0|1,0,1]=4 6570 B16R1.52 C=CCNNC(=O)C=Cc1cccc(c1)O 22a_100020588587_100102525460 [0,2,0,0,0,0|1,0,1]=4 6571 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)Br 11a_100000685387_100016258244 [0,2,0,0,0,0|1,0,1]=4 6572 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)Br 1626a_100000685387_100016258244 [0,2,0,0,0,0|1,0,1]=4 6573 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)C 11a_100000685387_100000690095 [0,2,0,0,0,0|1,0,1]=4 6574 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)C 1626a_100000685387_100000690095 [0,2,0,0,0,0|1,0,1]=4 6575 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)Cl 11a_100000685387_100000184502 [0,2,0,0,0,0|1,0,1]=4 6576 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000685387_100000184502 [0,2,0,0,0,0|1,0,1]=4 6577 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)F 11a_100000685387_100000718793 [0,2,0,0,0,0|1,0,1]=4 6578 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)F 1626a_100000685387_100000718793 [0,2,0,0,0,0|1,0,1]=4 6579 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)I 11a_100000685387_100020647043 [0,2,0,0,0,0|1,0,1]=4 6580 B16R1.52 CC#CCNC(=O)C=Cc1cccc(c1)I 1626a_100000685387_100020647043 [0,2,0,0,0,0|1,0,1]=4 6581 B16R1.52 CC(=NNCCO)C=Cc1cccc(c1)Br 4a_100000210001_200016266566 [0,2,0,0,0,0|1,0,0]=3 6582 B16R1.52 CC(=NNCCO)C=Cc1cccc(c1)Cl 4a_100000210001_200016280735 [0,2,0,0,0,0|1,0,0]=3 6583 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210326 [0,2,0,0,0,0|2,0,0]=4 6584 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011215151 [0,2,0,0,0,0|2,0,0]=4 6585 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210326 [0,2,0,0,0,0|2,0,0]=4 6586 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210326 [0,2,0,0,0,0|2,0,0]=4 6587 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210326 [0,2,0,0,0,0|2,0,0]=4 6588 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011215151 [0,2,0,0,0,0|2,0,0]=4 6589 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210326 [0,2,0,0,0,0|2,0,0]=4 6590 B16R1.52 CCCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011215151 [0,2,0,0,0,0|2,0,0]=4 6591 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Br 11a_100000102301_100016258244 [0,2,0,0,0,0|1,0,0]=3 6592 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000102301_100016258244 [0,2,0,0,0,0|1,0,0]=3 6593 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000102301_100016258244 [0,2,0,0,0,0|1,0,0]=3 6594 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)C 11a_100000102301_100000690095 [0,2,0,0,0,0|1,0,0]=3 6595 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)C 1626a_100000102301_100000690095 [0,2,0,0,0,0|1,0,0]=3 6596 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)C 240690a_100000102301_100000690095 [0,2,0,0,0,0|1,0,0]=3 6597 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl 11a_100000102301_100000184502 [0,2,0,0,0,0|1,0,0]=3 6598 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000102301_100000184502 [0,2,0,0,0,0|1,0,0]=3 6599 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000102301_100000184502 [0,2,0,0,0,0|1,0,0]=3 6600 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)F 11a_100000102301_100000718793 [0,2,0,0,0,0|1,0,0]=3 6601 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)F 1626a_100000102301_100000718793 [0,2,0,0,0,0|1,0,0]=3 6602 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)F 240690a_100000102301_100000718793 [0,2,0,0,0,0|1,0,0]=3 6603 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)I 11a_100000102301_100020647043 [0,2,0,0,0,0|1,0,0]=3 6604 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)I 1626a_100000102301_100020647043 [0,2,0,0,0,0|1,0,0]=3 6605 B16R1.52 CCCCNC(=O)C=Cc1cccc(c1)I 240690a_100000102301_100020647043 [0,2,0,0,0,0|1,0,0]=3 6606 B16R1.52 CCCNN=C(C)C=Cc1cccc(c1)Br 4a_100000740057_200016266566 [0,2,0,0,0,0|2,0,0]=4 6607 B16R1.52 CCCNN=C(C)C=Cc1cccc(c1)Cl 4a_100000740057_200016280735 [0,2,0,0,0,0|2,0,0]=4 6608 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)Br 22a_100000740057_100016258244 [0,2,0,0,0,0|1,0,0]=3 6609 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)C 22a_100000740057_100000690095 [0,2,0,0,0,0|1,0,0]=3 6610 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)Cl 22a_100000740057_100000184502 [0,2,0,0,0,0|1,0,0]=3 6611 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)F 22a_100000740057_100000718793 [0,2,0,0,0,0|1,0,0]=3 6612 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)I 22a_100000740057_100020647043 [0,2,0,0,0,0|1,0,0]=3 6613 B16R1.52 CCCNNC(=O)C=Cc1cccc(c1)O 22a_100000740057_100102525460 [0,2,0,0,0,0|1,0,0]=3 6614 B16R1.52 CCCOCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100010632825 [0,2,0,0,0,0|2,0,0]=4 6615 B16R1.52 CCCOCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100010632825 [0,2,0,0,0,0|2,0,0]=4 6616 B16R1.52 CCCOCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100010632825 [0,2,0,0,0,0|2,0,0]=4 6617 B16R1.52 CCCSCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011343953 [0,2,0,0,0,0|2,0,0]=4 6618 B16R1.52 CCCSCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011343953 [0,2,0,0,0,0|2,0,0]=4 6619 B16R1.52 CCCSCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011343953 [0,2,0,0,0,0|2,0,0]=4 6620 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011215890 [0,2,0,0,0,0|2,0,0]=4 6621 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_200011216536 [0,2,0,0,0,0|2,0,0]=4 6622 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100011215890 [0,2,0,0,0,0|2,0,0]=4 6623 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011215890 [0,2,0,0,0,0|2,0,0]=4 6624 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011215890 [0,2,0,0,0,0|2,0,0]=4 6625 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_200011216536 [0,2,0,0,0,0|2,0,0]=4 6626 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011215890 [0,2,0,0,0,0|2,0,0]=4 6627 B16R1.52 CCOCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_200011216536 [0,2,0,0,0,0|2,0,0]=4 6628 B16R1.52 CCSCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000757381 [0,2,0,0,0,0|2,0,0]=4 6629 B16R1.52 CCSCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000757381 [0,2,0,0,0,0|2,0,0]=4 6630 B16R1.52 CCSCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000757381 [0,2,0,0,0,0|2,0,0]=4 6631 B16R1.52 CCSCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000757381 [0,2,0,0,0,0|2,0,0]=4 6632 B16R1.52 CCSCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000757381 [0,2,0,0,0,0|2,0,0]=4 6633 B16R1.52 COCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000740836 [0,2,0,0,0,0|1,0,0]=3 6634 B16R1.52 COCCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000740836 [0,2,0,0,0,0|1,0,0]=3 6635 B16R1.52 COCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000740836 [0,2,0,0,0,0|1,0,0]=3 6636 B16R1.52 COCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000740836 [0,2,0,0,0,0|1,0,0]=3 6637 B16R1.52 COCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000740836 [0,2,0,0,0,0|1,0,0]=3 6638 B16R1.52 COCCNC(=O)C#Cc1cccc(c1)C 240690a_100000209980_100011892726 [0,2,0,0,0,0|0,0,2]=4 6639 B16R1.52 COCCNC(=O)C#Cc1cccc(c1)Cl 240690a_100000209980_100011892777 [0,2,0,0,0,0|0,0,2]=4 6640 B16R1.52 COCCNC(=O)C#Cc1cccc(c1)F 240690a_100000209980_100011892744 [0,2,0,0,0,0|0,0,2]=4 6641 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000209980_100016258244 [0,2,0,0,0,0|0,0,0]=2 6642 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000209980_100016258244 [0,2,0,0,0,0|0,0,0]=2 6643 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)C 1626a_100000209980_100000690095 [0,2,0,0,0,0|0,0,0]=2 6644 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)C 240690a_100000209980_100000690095 [0,2,0,0,0,0|0,0,0]=2 6645 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000209980_100000184502 [0,2,0,0,0,0|0,0,0]=2 6646 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000209980_100000184502 [0,2,0,0,0,0|0,0,0]=2 6647 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)F 1626a_100000209980_100000718793 [0,2,0,0,0,0|0,0,0]=2 6648 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)F 240690a_100000209980_100000718793 [0,2,0,0,0,0|0,0,0]=2 6649 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)I 1626a_100000209980_100020647043 [0,2,0,0,0,0|0,0,0]=2 6650 B16R1.52 COCCNC(=O)C=Cc1cccc(c1)I 240690a_100000209980_100020647043 [0,2,0,0,0,0|0,0,0]=2 6651 B16R1.52 COCCNC(=O)CCc1cccc(c1)Br 1626a_100000209980_100000184314 [0,2,0,0,0,0|0,0,2]=4 6652 B16R1.52 COCCNC(=O)CCc1cccc(c1)Br 240690a_100000209980_100000184314 [0,2,0,0,0,0|0,0,2]=4 6653 B16R1.52 COCCNC(=O)CCc1cccc(c1)Br 527a_100000209980_100000184314 [0,2,0,0,0,0|0,0,2]=4 6654 B16R1.52 COCCNC(=O)CCc1cccc(c1)C 1626a_100000209980_100000234952 [0,2,0,0,0,0|0,0,2]=4 6655 B16R1.52 COCCNC(=O)CCc1cccc(c1)C 240690a_100000209980_100000234952 [0,2,0,0,0,0|0,0,2]=4 6656 B16R1.52 COCCNC(=O)CCc1cccc(c1)C 527a_100000209980_100000234952 [0,2,0,0,0,0|0,0,2]=4 6657 B16R1.52 COCCNC(=O)CCc1cccc(c1)Cl 1626a_100000209980_100000235675 [0,2,0,0,0,0|0,0,2]=4 6658 B16R1.52 COCCNC(=O)CCc1cccc(c1)Cl 240690a_100000209980_100000235675 [0,2,0,0,0,0|0,0,2]=4 6659 B16R1.52 COCCNC(=O)CCc1cccc(c1)Cl 527a_100000209980_100000235675 [0,2,0,0,0,0|0,0,2]=4 6660 B16R1.52 COCCNC(=O)CCc1cccc(c1)F 1626a_100000209980_100000235673 [0,2,0,0,0,0|0,0,2]=4 6661 B16R1.52 COCCNC(=O)CCc1cccc(c1)F 240690a_100000209980_100000235673 [0,2,0,0,0,0|0,0,2]=4 6662 B16R1.52 COCCNC(=O)CCc1cccc(c1)F 527a_100000209980_100000235673 [0,2,0,0,0,0|0,0,2]=4 6663 B16R1.52 COCCNC(=O)CCc1cccc(c1)I 1626a_100000209980_100010007846 [0,2,0,0,0,0|0,0,2]=4 6664 B16R1.52 COCCNC(=O)CCc1cccc(c1)I 240690a_100000209980_100010007846 [0,2,0,0,0,0|0,0,2]=4 6665 B16R1.52 COCCNC(=O)CCc1cccc(c1)I 527a_100000209980_100010007846 [0,2,0,0,0,0|0,0,2]=4 6666 B16R1.52 COCCNC(=O)CCc1cccc(c1)O 240690a_100000209980_100011216126 [0,2,0,0,0,0|0,0,2]=4 6667 B16R1.52 COCCNC(=O)CCc1cccc(c1)O 527a_100000209980_100011216126 [0,2,0,0,0,0|0,0,2]=4 6668 B16R1.52 COCCNC(=O)CNc1cccc(c1)Br 34a_100000210019_100000183275 [0,2,0,0,0,0|1,0,1]=4 6669 B16R1.52 COCCNC(=O)CNc1cccc(c1)C 2230a_100000188690_100000183275 [0,2,0,0,0,0|1,0,1]=4 6670 B16R1.52 COCCNC(=O)CNc1cccc(c1)C 34a_100000188690_100000183275 [0,2,0,0,0,0|1,0,1]=4 6671 B16R1.52 COCCNC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000183275 [0,2,0,0,0,0|1,0,1]=4 6672 B16R1.52 COCCNC(=O)CNc1cccc(c1)F 34a_100000210047_100000183275 [0,2,0,0,0,0|1,0,1]=4 6673 B16R1.52 COCCNC(=O)CNc1cccc(c1)I 34a_100000211102_100000183275 [0,2,0,0,0,0|1,0,1]=4 6674 B16R1.52 COCCNC(=O)CNc1cccc(c1)O 34a_100000210217_100000183275 [0,2,0,0,0,0|1,0,1]=4 6675 B16R1.52 COCCNC(=O)COc1cccc(c1)Br 1626a_100000209980_100000182359 [0,2,0,0,0,0|1,0,1]=4 6676 B16R1.52 COCCNC(=O)COc1cccc(c1)Br 240690a_100000209980_100000182359 [0,2,0,0,0,0|1,0,1]=4 6677 B16R1.52 COCCNC(=O)COc1cccc(c1)Br 34a_100000210342_100000183275 [0,2,0,0,0,0|1,0,1]=4 6678 B16R1.52 COCCNC(=O)COc1cccc(c1)Br 527a_100000209980_100000182359 [0,2,0,0,0,0|1,0,1]=4 6679 B16R1.52 COCCNC(=O)COc1cccc(c1)Br 7a_100000210342_100000183275 [0,2,0,0,0,0|1,0,1]=4 6680 B16R1.52 COCCNC(=O)COc1cccc(c1)C 1626a_100000209980_100000183606 [0,2,0,0,0,0|1,0,1]=4 6681 B16R1.52 COCCNC(=O)COc1cccc(c1)C 240690a_100000209980_100000183606 [0,2,0,0,0,0|1,0,1]=4 6682 B16R1.52 COCCNC(=O)COc1cccc(c1)C 34a_100000210337_100000183275 [0,2,0,0,0,0|1,0,1]=4 6683 B16R1.52 COCCNC(=O)COc1cccc(c1)C 527a_100000209980_100000183606 [0,2,0,0,0,0|1,0,1]=4 6684 B16R1.52 COCCNC(=O)COc1cccc(c1)C 7a_100000210337_100000183275 [0,2,0,0,0,0|1,0,1]=4 6685 B16R1.52 COCCNC(=O)COc1cccc(c1)Cl 1626a_100000209980_100000184978 [0,2,0,0,0,0|1,0,1]=4 6686 B16R1.52 COCCNC(=O)COc1cccc(c1)Cl 240690a_100000209980_100000184978 [0,2,0,0,0,0|1,0,1]=4 6687 B16R1.52 COCCNC(=O)COc1cccc(c1)Cl 34a_100000210295_100000183275 [0,2,0,0,0,0|1,0,1]=4 6688 B16R1.52 COCCNC(=O)COc1cccc(c1)Cl 527a_100000209980_100000184978 [0,2,0,0,0,0|1,0,1]=4 6689 B16R1.52 COCCNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000183275 [0,2,0,0,0,0|1,0,1]=4 6690 B16R1.52 COCCNC(=O)COc1cccc(c1)F 1626a_100000209980_100000182781 [0,2,0,0,0,0|1,0,1]=4 6691 B16R1.52 COCCNC(=O)COc1cccc(c1)F 240690a_100000209980_100000182781 [0,2,0,0,0,0|1,0,1]=4 6692 B16R1.52 COCCNC(=O)COc1cccc(c1)F 34a_100000210426_100000183275 [0,2,0,0,0,0|1,0,1]=4 6693 B16R1.52 COCCNC(=O)COc1cccc(c1)F 527a_100000209980_100000182781 [0,2,0,0,0,0|1,0,1]=4 6694 B16R1.52 COCCNC(=O)COc1cccc(c1)F 7a_100000210426_100000183275 [0,2,0,0,0,0|1,0,1]=4 6695 B16R1.52 COCCNC(=O)COc1cccc(c1)I 34a_100000211634_100000183275 [0,2,0,0,0,0|1,0,1]=4 6696 B16R1.52 COCCNC(=O)COc1cccc(c1)I 7a_100000211634_100000183275 [0,2,0,0,0,0|1,0,1]=4 6697 B16R1.52 COCCNC(=O)COc1cccc(c1)N 34a_100000210217_100000183275 [0,2,0,0,0,0|1,0,1]=4 6698 B16R1.52 COCCNC(=O)CSc1cccc(c1)Br 1626a_100000209980_100000760868 [0,2,0,0,0,0|1,0,1]=4 6699 B16R1.52 COCCNC(=O)CSc1cccc(c1)Br 240690a_100000209980_100000760868 [0,2,0,0,0,0|1,0,1]=4 6700 B16R1.52 COCCNC(=O)CSc1cccc(c1)Br 527a_100000209980_100000760868 [0,2,0,0,0,0|1,0,1]=4 6701 B16R1.52 COCCNC(=O)CSc1cccc(c1)Br 62a_100000183275_100000691529 [0,2,0,0,0,0|1,0,1]=4 6702 B16R1.52 COCCNC(=O)CSc1cccc(c1)Br 62a_100000691529_100000183275 [0,2,0,0,0,0|1,0,1]=4 6703 B16R1.52 COCCNC(=O)CSc1cccc(c1)C 62a_100000183275_100011215228 [0,2,0,0,0,0|1,0,1]=4 6704 B16R1.52 COCCNC(=O)CSc1cccc(c1)C 62a_100011215228_100000183275 [0,2,0,0,0,0|1,0,1]=4 6705 B16R1.52 COCCNC(=O)CSc1cccc(c1)Cl 62a_100000183275_100000699651 [0,2,0,0,0,0|1,0,1]=4 6706 B16R1.52 COCCNC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000183275 [0,2,0,0,0,0|1,0,1]=4 6707 B16R1.52 COCCNC(=O)CSc1cccc(c1)F 62a_100000183275_100000685547 [0,2,0,0,0,0|1,0,1]=4 6708 B16R1.52 COCCNC(=O)CSc1cccc(c1)F 62a_100000685547_100000183275 [0,2,0,0,0,0|1,0,1]=4 6709 B16R1.52 COCCNC(=O)CSc1cccc(c1)N 62a_100000183275_100000210019 [0,2,0,0,0,0|1,0,1]=4 6710 B16R1.52 COCCNC(=O)CSc1cccc(c1)N 62a_100000210019_100000183275 [0,2,0,0,0,0|1,0,1]=4 6711 B16R1.52 COCCNC(=O)CSc1cccc(c1)O 62a_100000183275_100000211634 [0,2,0,0,0,0|1,0,1]=4 6712 B16R1.52 COCCNC(=O)CSc1cccc(c1)[S] 62a_100000183275_114929384022 [0,2,0,0,0,0|1,0,1]=4 6713 B16R1.52 COCCNC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000183275 [0,2,0,0,0,0|1,0,1]=4 6714 B16R1.52 COCCNC(=O)NCc1cccc(c1)Br 2708a_100000174977_100000209980 [0,2,0,0,0,0|1,0,1]=4 6715 B16R1.52 COCCNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100000209980 [0,2,0,0,0,0|1,0,1]=4 6716 B16R1.52 COCCNC(=O)NCc1cccc(c1)Br 273464a_100000209980_100000174977 [0,2,0,0,0,0|1,0,1]=4 6717 B16R1.52 COCCNC(=O)NCc1cccc(c1)C 2708a_100000185548_100000209980 [0,2,0,0,0,0|1,0,1]=4 6718 B16R1.52 COCCNC(=O)NCc1cccc(c1)C 273464a_100000185548_100000209980 [0,2,0,0,0,0|1,0,1]=4 6719 B16R1.52 COCCNC(=O)NCc1cccc(c1)C 273464a_100000209980_100000185548 [0,2,0,0,0,0|1,0,1]=4 6720 B16R1.52 COCCNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_100000209980 [0,2,0,0,0,0|1,0,1]=4 6721 B16R1.52 COCCNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100000209980 [0,2,0,0,0,0|1,0,1]=4 6722 B16R1.52 COCCNC(=O)NCc1cccc(c1)Cl 273464a_100000209980_100000174878 [0,2,0,0,0,0|1,0,1]=4 6723 B16R1.52 COCCNC(=O)NCc1cccc(c1)F 2708a_100000174948_100000209980 [0,2,0,0,0,0|1,0,1]=4 6724 B16R1.52 COCCNC(=O)NCc1cccc(c1)F 273464a_100000174948_100000209980 [0,2,0,0,0,0|1,0,1]=4 6725 B16R1.52 COCCNC(=O)NCc1cccc(c1)F 273464a_100000209980_100000174948 [0,2,0,0,0,0|1,0,1]=4 6726 B16R1.52 COCCNC(=O)NCc1cccc(c1)I 2708a_100000106179_100000209980 [0,2,0,0,0,0|1,0,1]=4 6727 B16R1.52 COCCNC(=O)NCc1cccc(c1)I 273464a_100000106179_100000209980 [0,2,0,0,0,0|1,0,1]=4 6728 B16R1.52 COCCNC(=O)NCc1cccc(c1)I 273464a_100000209980_100000106179 [0,2,0,0,0,0|1,0,1]=4 6729 B16R1.52 COCCNC(=O)NCc1cccc(c1)O 2708a_100000743036_100000209980 [0,2,0,0,0,0|1,0,1]=4 6730 B16R1.52 COCCNC(=O)NCc1cccc(c1)O 273464a_100000209980_100000743036 [0,2,0,0,0,0|1,0,1]=4 6731 B16R1.52 COCCNC(=O)NCc1cccc(c1)O 273464a_100000743036_100000209980 [0,2,0,0,0,0|1,0,1]=4 6732 B16R1.52 COCCNC(=O)NNc1cccc(c1)Br 273464a_100000209980_100000217339 [0,2,0,0,0,0|2,0,0]=4 6733 B16R1.52 COCCNC(=O)NNc1cccc(c1)C 273464a_100000209980_100000681630 [0,2,0,0,0,0|2,0,0]=4 6734 B16R1.52 COCCNC(=O)NNc1cccc(c1)Cl 273464a_100000209980_100000184277 [0,2,0,0,0,0|2,0,0]=4 6735 B16R1.52 COCCNC(=O)NNc1cccc(c1)F 273464a_100000209980_100000745080 [0,2,0,0,0,0|2,0,0]=4 6736 B16R1.52 COCCNC(=O)NNc1cccc(c1)I 273464a_100000209980_100020605690 [0,2,0,0,0,0|2,0,0]=4 6737 B16R1.52 CSCCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011399439 [0,2,0,0,0,0|1,1,0]=4 6738 B16R1.52 CSCCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011399439 [0,2,0,0,0,0|1,1,0]=4 6739 B16R1.52 CSCCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011399439 [0,2,0,0,0,0|1,1,0]=4 6740 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Br 11a_100020590264_100016258244 [0,2,0,0,0,0|0,1,0]=3 6741 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Br 1626a_100020590264_100016258244 [0,2,0,0,0,0|0,1,0]=3 6742 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Br 240690a_100020590264_100016258244 [0,2,0,0,0,0|0,1,0]=3 6743 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)C 11a_100020590264_100000690095 [0,2,0,0,0,0|0,1,0]=3 6744 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)C 1626a_100020590264_100000690095 [0,2,0,0,0,0|0,1,0]=3 6745 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)C 240690a_100020590264_100000690095 [0,2,0,0,0,0|0,1,0]=3 6746 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Cl 11a_100020590264_100000184502 [0,2,0,0,0,0|0,1,0]=3 6747 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100020590264_100000184502 [0,2,0,0,0,0|0,1,0]=3 6748 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100020590264_100000184502 [0,2,0,0,0,0|0,1,0]=3 6749 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)F 11a_100020590264_100000718793 [0,2,0,0,0,0|0,1,0]=3 6750 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)F 1626a_100020590264_100000718793 [0,2,0,0,0,0|0,1,0]=3 6751 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)F 240690a_100020590264_100000718793 [0,2,0,0,0,0|0,1,0]=3 6752 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)I 11a_100020590264_100020647043 [0,2,0,0,0,0|0,1,0]=3 6753 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)I 1626a_100020590264_100020647043 [0,2,0,0,0,0|0,1,0]=3 6754 B16R1.52 CSCCNC(=O)C=Cc1cccc(c1)I 240690a_100020590264_100020647043 [0,2,0,0,0,0|0,1,0]=3 6755 B16R1.52 Cc1cccc(c1)C#CC(=O)NCCCO 240690a_100000182051_100011892726 [0,2,0,0,0,0|0,0,2]=4 6756 B16R1.52 Cc1cccc(c1)C#CC(=O)NNCCO 22a_100000210001_100011892726 [0,2,0,0,0,0|0,0,2]=4 6757 B16R1.52 Cc1cccc(c1)C=CC(=O)CC#CCO 1458a_100000690095_200000047223 [0,2,0,0,0,0|1,0,1]=4 6758 B16R1.52 Cc1cccc(c1)C=CC(=O)CCCC#N 1458a_100000690095_100000211468 [0,2,0,0,0,0|2,0,0]=4 6759 B16R1.52 Cc1cccc(c1)C=CC(=O)CCCCF 1458a_100000690095_100000729493 [0,2,0,0,0,0|2,0,0]=4 6760 B16R1.52 Cc1cccc(c1)C=CC(=O)CCCCO 1458a_100000690095_100000210776 [0,2,0,0,0,0|1,0,0]=3 6761 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCC#N 11a_100000720768_100000690095 [0,2,0,0,0,0|1,0,0]=3 6762 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCC#N 1626a_100000720768_100000690095 [0,2,0,0,0,0|1,0,0]=3 6763 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCC#N 240690a_100000720768_100000690095 [0,2,0,0,0,0|1,0,0]=3 6764 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCCF 11a_100015189416_100000690095 [0,2,0,0,0,0|1,0,0]=3 6765 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCCF 1626a_100015189416_100000690095 [0,2,0,0,0,0|1,0,0]=3 6766 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCCF 240690a_100015189416_100000690095 [0,2,0,0,0,0|1,0,0]=3 6767 B16R1.52 Cc1cccc(c1)C=CC(=O)NCCCO 240690a_100000182051_100000690095 [0,2,0,0,0,0|0,0,0]=2 6768 B16R1.52 Cc1cccc(c1)C=CC(=O)NNCCO 22a_100000210001_100000690095 [0,2,0,0,0,0|0,0,0]=2 6769 B16R1.52 Cc1cccc(c1)CCC(=O)NCCCO 240690a_100000182051_100000234952 [0,2,0,0,0,0|0,0,2]=4 6770 B16R1.52 Cc1cccc(c1)CCC(=O)NCCCO 527a_100000182051_100000234952 [0,2,0,0,0,0|0,0,2]=4 6771 B16R1.52 Cc1cccc(c1)CCC(=O)NNCCO 22a_100000210001_100000234952 [0,2,0,0,0,0|0,0,2]=4 6772 B16R1.52 Cc1cccc(c1)CNC(=O)CNCCO 2230a_100016997473_100000754571 [0,2,0,0,0,0|1,0,1]=4 6773 B16R1.52 Cc1cccc(c1)CNC(=O)CNCCO 34a_100016990907_100000754571 [0,2,0,0,0,0|1,0,1]=4 6774 B16R1.52 Cc1cccc(c1)CNC(=O)NCCCO 2708a_100000185548_100000182051 [0,2,0,0,0,0|1,0,1]=4 6775 B16R1.52 Cc1cccc(c1)CNC(=O)NCCCO 273464a_100000182051_100000185548 [0,2,0,0,0,0|1,0,1]=4 6776 B16R1.52 Cc1cccc(c1)CNC(=O)NCCCO 273464a_100000185548_100000182051 [0,2,0,0,0,0|1,0,1]=4 6777 B16R1.52 Cc1cccc(c1)CNC(=O)NCCCO 512a_100000185548_100000182051 [0,2,0,0,0,0|1,0,1]=4 6778 B16R1.52 Cc1cccc(c1)CNC(=O)NNCCO 273464a_100000185548_100000210001 [0,2,0,0,0,0|1,0,1]=4 6779 B16R1.52 Cc1cccc(c1)CNC(=O)NNCCO 512a_100000185548_100000210001 [0,2,0,0,0,0|1,0,1]=4 6780 B16R1.52 Cc1cccc(c1)NNC(=O)NCCCO 273464a_100000182051_100000681630 [0,2,0,0,0,0|2,0,0]=4 6781 B16R1.52 Cc1cccc(c1)NNC(=O)NCCCO 512a_100000681630_100000182051 [0,2,0,0,0,0|2,0,0]=4 6782 B16R1.52 Cc1cccc(c1)OCC(=O)NCCCO 240690a_100000182051_100000183606 [0,2,0,0,0,0|1,0,1]=4 6783 B16R1.52 Cc1cccc(c1)OCC(=O)NCCCO 527a_100000182051_100000183606 [0,2,0,0,0,0|1,0,1]=4 6784 B16R1.52 Cc1cccc(c1)OCC(=O)NNCCO 22a_100000210001_100000183606 [0,2,0,0,0,0|1,0,1]=4 6785 B16R1.52 N#CCCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000211468 [0,2,0,0,0,0|2,0,0]=4 6786 B16R1.52 N#CCCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000211468 [0,2,0,0,0,0|2,0,0]=4 6787 B16R1.52 N#CCCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000211468 [0,2,0,0,0,0|2,0,0]=4 6788 B16R1.52 N#CCCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000211468 [0,2,0,0,0,0|2,0,0]=4 6789 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Br 11a_100000720768_100016258244 [0,2,0,0,0,0|1,0,0]=3 6790 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Br 1626a_100000720768_100016258244 [0,2,0,0,0,0|1,0,0]=3 6791 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Br 240690a_100000720768_100016258244 [0,2,0,0,0,0|1,0,0]=3 6792 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Cl 11a_100000720768_100000184502 [0,2,0,0,0,0|1,0,0]=3 6793 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Cl 1626a_100000720768_100000184502 [0,2,0,0,0,0|1,0,0]=3 6794 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)Cl 240690a_100000720768_100000184502 [0,2,0,0,0,0|1,0,0]=3 6795 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)F 11a_100000720768_100000718793 [0,2,0,0,0,0|1,0,0]=3 6796 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)F 1626a_100000720768_100000718793 [0,2,0,0,0,0|1,0,0]=3 6797 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)F 240690a_100000720768_100000718793 [0,2,0,0,0,0|1,0,0]=3 6798 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)I 11a_100000720768_100020647043 [0,2,0,0,0,0|1,0,0]=3 6799 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)I 1626a_100000720768_100020647043 [0,2,0,0,0,0|1,0,0]=3 6800 B16R1.52 N#CCCNC(=O)C=Cc1cccc(c1)I 240690a_100000720768_100020647043 [0,2,0,0,0,0|1,0,0]=3 6801 B16R1.52 O=C(C#Cc1cccc(c1)Br)NNCCO 22a_100000210001_100012100324 [0,2,0,0,0,0|0,0,2]=4 6802 B16R1.52 O=C(C#Cc1cccc(c1)Cl)NCCCO 240690a_100000182051_100011892777 [0,2,0,0,0,0|0,0,2]=4 6803 B16R1.52 O=C(C#Cc1cccc(c1)Cl)NNCCO 22a_100000210001_100011892777 [0,2,0,0,0,0|0,0,2]=4 6804 B16R1.52 O=C(C#Cc1cccc(c1)F)NCCCO 240690a_100000182051_100011892744 [0,2,0,0,0,0|0,0,2]=4 6805 B16R1.52 O=C(C#Cc1cccc(c1)F)NNCCO 22a_100000210001_100011892744 [0,2,0,0,0,0|0,0,2]=4 6806 B16R1.52 O=C(C#Cc1cccc(c1)O)NNCCO 22a_100000210001_200009909484 [0,2,0,0,0,0|0,0,2]=4 6807 B16R1.52 O=C(C=Cc1cccc(c1)Br)CC#CCO 1458a_100016258244_200000047223 [0,2,0,0,0,0|1,0,1]=4 6808 B16R1.52 O=C(C=Cc1cccc(c1)Br)CCCCBr 6a_100000210085_100009817362 [0,2,0,0,0,0|2,0,0]=4 6809 B16R1.52 O=C(C=Cc1cccc(c1)Br)CCCCCl 6a_100000210085_100000735457 [0,2,0,0,0,0|2,0,0]=4 6810 B16R1.52 O=C(C=Cc1cccc(c1)Br)CCCCF 1458a_100016258244_100000729493 [0,2,0,0,0,0|2,0,0]=4 6811 B16R1.52 O=C(C=Cc1cccc(c1)Br)CCCCO 1458a_100016258244_100000210776 [0,2,0,0,0,0|1,0,0]=3 6812 B16R1.52 O=C(C=Cc1cccc(c1)Br)NCCCF 11a_100015189416_100016258244 [0,2,0,0,0,0|1,0,0]=3 6813 B16R1.52 O=C(C=Cc1cccc(c1)Br)NCCCF 1626a_100015189416_100016258244 [0,2,0,0,0,0|1,0,0]=3 6814 B16R1.52 O=C(C=Cc1cccc(c1)Br)NCCCF 240690a_100015189416_100016258244 [0,2,0,0,0,0|1,0,0]=3 6815 B16R1.52 O=C(C=Cc1cccc(c1)Br)NCCCO 240690a_100000182051_100016258244 [0,2,0,0,0,0|0,0,0]=2 6816 B16R1.52 O=C(C=Cc1cccc(c1)Br)NNCCO 22a_100000210001_100016258244 [0,2,0,0,0,0|0,0,0]=2 6817 B16R1.52 O=C(C=Cc1cccc(c1)Cl)CC#CCO 1458a_100000184502_200000047223 [0,2,0,0,0,0|1,0,1]=4 6818 B16R1.52 O=C(C=Cc1cccc(c1)Cl)CCCCF 1458a_100000184502_100000729493 [0,2,0,0,0,0|2,0,0]=4 6819 B16R1.52 O=C(C=Cc1cccc(c1)Cl)CCCCO 1458a_100000184502_100000210776 [0,2,0,0,0,0|1,0,0]=3 6820 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCF 11a_100015189416_100000184502 [0,2,0,0,0,0|1,0,0]=3 6821 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCF 1626a_100015189416_100000184502 [0,2,0,0,0,0|1,0,0]=3 6822 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCF 240690a_100015189416_100000184502 [0,2,0,0,0,0|1,0,0]=3 6823 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NCCCO 240690a_100000182051_100000184502 [0,2,0,0,0,0|0,0,0]=2 6824 B16R1.52 O=C(C=Cc1cccc(c1)Cl)NNCCO 22a_100000210001_100000184502 [0,2,0,0,0,0|0,0,0]=2 6825 B16R1.52 O=C(C=Cc1cccc(c1)F)CC#CCO 1458a_100000718793_200000047223 [0,2,0,0,0,0|1,0,1]=4 6826 B16R1.52 O=C(C=Cc1cccc(c1)F)CCCCBr 6a_100000210812_100009817362 [0,2,0,0,0,0|2,0,0]=4 6827 B16R1.52 O=C(C=Cc1cccc(c1)F)CCCCCl 6a_100000210812_100000735457 [0,2,0,0,0,0|2,0,0]=4 6828 B16R1.52 O=C(C=Cc1cccc(c1)F)CCCCF 1458a_100000718793_100000729493 [0,2,0,0,0,0|2,0,0]=4 6829 B16R1.52 O=C(C=Cc1cccc(c1)F)CCCCO 1458a_100000718793_100000210776 [0,2,0,0,0,0|1,0,0]=3 6830 B16R1.52 O=C(C=Cc1cccc(c1)F)NCCCF 11a_100015189416_100000718793 [0,2,0,0,0,0|1,0,0]=3 6831 B16R1.52 O=C(C=Cc1cccc(c1)F)NCCCF 1626a_100015189416_100000718793 [0,2,0,0,0,0|1,0,0]=3 6832 B16R1.52 O=C(C=Cc1cccc(c1)F)NCCCF 240690a_100015189416_100000718793 [0,2,0,0,0,0|1,0,0]=3 6833 B16R1.52 O=C(C=Cc1cccc(c1)F)NCCCO 240690a_100000182051_100000718793 [0,2,0,0,0,0|0,0,0]=2 6834 B16R1.52 O=C(C=Cc1cccc(c1)F)NNCCO 22a_100000210001_100000718793 [0,2,0,0,0,0|0,0,0]=2 6835 B16R1.52 O=C(C=Cc1cccc(c1)I)CC#CCO 1458a_100020647043_200000047223 [0,2,0,0,0,0|1,0,1]=4 6836 B16R1.52 O=C(C=Cc1cccc(c1)I)CCCCBr 6a_100000014684_100009817362 [0,2,0,0,0,0|2,0,0]=4 6837 B16R1.52 O=C(C=Cc1cccc(c1)I)CCCCCl 6a_100000014684_100000735457 [0,2,0,0,0,0|2,0,0]=4 6838 B16R1.52 O=C(C=Cc1cccc(c1)I)CCCCF 1458a_100020647043_100000729493 [0,2,0,0,0,0|2,0,0]=4 6839 B16R1.52 O=C(C=Cc1cccc(c1)I)CCCCO 1458a_100020647043_100000210776 [0,2,0,0,0,0|1,0,0]=3 6840 B16R1.52 O=C(C=Cc1cccc(c1)I)NCCCF 11a_100015189416_100020647043 [0,2,0,0,0,0|1,0,0]=3 6841 B16R1.52 O=C(C=Cc1cccc(c1)I)NCCCF 1626a_100015189416_100020647043 [0,2,0,0,0,0|1,0,0]=3 6842 B16R1.52 O=C(C=Cc1cccc(c1)I)NCCCF 240690a_100015189416_100020647043 [0,2,0,0,0,0|1,0,0]=3 6843 B16R1.52 O=C(C=Cc1cccc(c1)I)NCCCO 240690a_100000182051_100020647043 [0,2,0,0,0,0|0,0,0]=2 6844 B16R1.52 O=C(C=Cc1cccc(c1)I)NNCCO 22a_100000210001_100020647043 [0,2,0,0,0,0|0,0,0]=2 6845 B16R1.52 O=C(C=Cc1cccc(c1)O)NNCCO 22a_100000210001_100102525460 [0,2,0,0,0,0|0,0,0]=2 6846 B16R1.52 O=C(CCc1cccc(c1)Br)NCCCO 240690a_100000182051_100000184314 [0,2,0,0,0,0|0,0,2]=4 6847 B16R1.52 O=C(CCc1cccc(c1)Br)NCCCO 527a_100000182051_100000184314 [0,2,0,0,0,0|0,0,2]=4 6848 B16R1.52 O=C(CCc1cccc(c1)Br)NNCCO 22a_100000210001_100000184314 [0,2,0,0,0,0|0,0,2]=4 6849 B16R1.52 O=C(CCc1cccc(c1)Cl)NCCCO 240690a_100000182051_100000235675 [0,2,0,0,0,0|0,0,2]=4 6850 B16R1.52 O=C(CCc1cccc(c1)Cl)NCCCO 527a_100000182051_100000235675 [0,2,0,0,0,0|0,0,2]=4 6851 B16R1.52 O=C(CCc1cccc(c1)Cl)NNCCO 22a_100000210001_100000235675 [0,2,0,0,0,0|0,0,2]=4 6852 B16R1.52 O=C(CCc1cccc(c1)F)NCCCO 240690a_100000182051_100000235673 [0,2,0,0,0,0|0,0,2]=4 6853 B16R1.52 O=C(CCc1cccc(c1)F)NCCCO 527a_100000182051_100000235673 [0,2,0,0,0,0|0,0,2]=4 6854 B16R1.52 O=C(CCc1cccc(c1)F)NNCCO 22a_100000210001_100000235673 [0,2,0,0,0,0|0,0,2]=4 6855 B16R1.52 O=C(CCc1cccc(c1)I)NCCCO 240690a_100000182051_100010007846 [0,2,0,0,0,0|0,0,2]=4 6856 B16R1.52 O=C(CCc1cccc(c1)I)NCCCO 527a_100000182051_100010007846 [0,2,0,0,0,0|0,0,2]=4 6857 B16R1.52 O=C(CCc1cccc(c1)I)NNCCO 22a_100000210001_100010007846 [0,2,0,0,0,0|0,0,2]=4 6858 B16R1.52 O=C(CCc1cccc(c1)O)NCCCO 240690a_100000182051_100011216126 [0,2,0,0,0,0|0,0,2]=4 6859 B16R1.52 O=C(CCc1cccc(c1)O)NCCCO 527a_100000182051_100011216126 [0,2,0,0,0,0|0,0,2]=4 6860 B16R1.52 O=C(CCc1cccc(c1)O)NNCCO 22a_100000210001_100011216126 [0,2,0,0,0,0|0,0,2]=4 6861 B16R1.52 O=C(CNCCO)NCc1cccc(c1)Br 2230a_100016997473_100011263252 [0,2,0,0,0,0|1,0,1]=4 6862 B16R1.52 O=C(CNCCO)NCc1cccc(c1)Br 34a_100016990907_100011263252 [0,2,0,0,0,0|1,0,1]=4 6863 B16R1.52 O=C(CNCCO)NCc1cccc(c1)Cl 2230a_100016997473_100000181154 [0,2,0,0,0,0|1,0,1]=4 6864 B16R1.52 O=C(CNCCO)NCc1cccc(c1)Cl 34a_100016990907_100000181154 [0,2,0,0,0,0|1,0,1]=4 6865 B16R1.52 O=C(CNCCO)NCc1cccc(c1)F 2230a_100016997473_100000738998 [0,2,0,0,0,0|1,0,1]=4 6866 B16R1.52 O=C(CNCCO)NCc1cccc(c1)F 34a_100016990907_100000738998 [0,2,0,0,0,0|1,0,1]=4 6867 B16R1.52 O=C(COc1cccc(c1)Br)NCCCO 240690a_100000182051_100000182359 [0,2,0,0,0,0|1,0,1]=4 6868 B16R1.52 O=C(COc1cccc(c1)Br)NCCCO 527a_100000182051_100000182359 [0,2,0,0,0,0|1,0,1]=4 6869 B16R1.52 O=C(COc1cccc(c1)Br)NNCCO 22a_100000210001_100000182359 [0,2,0,0,0,0|1,0,1]=4 6870 B16R1.52 O=C(COc1cccc(c1)Cl)NCCCO 240690a_100000182051_100000184978 [0,2,0,0,0,0|1,0,1]=4 6871 B16R1.52 O=C(COc1cccc(c1)Cl)NCCCO 527a_100000182051_100000184978 [0,2,0,0,0,0|1,0,1]=4 6872 B16R1.52 O=C(COc1cccc(c1)Cl)NNCCO 22a_100000210001_100000184978 [0,2,0,0,0,0|1,0,1]=4 6873 B16R1.52 O=C(COc1cccc(c1)F)NCCCO 240690a_100000182051_100000182781 [0,2,0,0,0,0|1,0,1]=4 6874 B16R1.52 O=C(COc1cccc(c1)F)NCCCO 527a_100000182051_100000182781 [0,2,0,0,0,0|1,0,1]=4 6875 B16R1.52 O=C(COc1cccc(c1)F)NNCCO 22a_100000210001_100000182781 [0,2,0,0,0,0|1,0,1]=4 6876 B16R1.52 O=C(CSc1cccc(c1)Br)NCCCO 240690a_100000182051_100000760868 [0,2,0,0,0,0|1,0,1]=4 6877 B16R1.52 O=C(CSc1cccc(c1)Br)NCCCO 527a_100000182051_100000760868 [0,2,0,0,0,0|1,0,1]=4 6878 B16R1.52 O=C(CSc1cccc(c1)Br)NNCCO 22a_100000210001_100000760868 [0,2,0,0,0,0|1,0,1]=4 6879 B16R1.52 O=C(NCCCO)NCc1cccc(c1)Br 2708a_100000174977_100000182051 [0,2,0,0,0,0|1,0,1]=4 6880 B16R1.52 O=C(NCCCO)NCc1cccc(c1)Br 273464a_100000174977_100000182051 [0,2,0,0,0,0|1,0,1]=4 6881 B16R1.52 O=C(NCCCO)NCc1cccc(c1)Br 273464a_100000182051_100000174977 [0,2,0,0,0,0|1,0,1]=4 6882 B16R1.52 O=C(NCCCO)NCc1cccc(c1)Br 512a_100000174977_100000182051 [0,2,0,0,0,0|1,0,1]=4 6883 B16R1.52 O=C(NCCCO)NCc1cccc(c1)Cl 2708a_100000174878_100000182051 [0,2,0,0,0,0|1,0,1]=4 6884 B16R1.52 O=C(NCCCO)NCc1cccc(c1)Cl 273464a_100000174878_100000182051 [0,2,0,0,0,0|1,0,1]=4 6885 B16R1.52 O=C(NCCCO)NCc1cccc(c1)Cl 273464a_100000182051_100000174878 [0,2,0,0,0,0|1,0,1]=4 6886 B16R1.52 O=C(NCCCO)NCc1cccc(c1)Cl 512a_100000174878_100000182051 [0,2,0,0,0,0|1,0,1]=4 6887 B16R1.52 O=C(NCCCO)NCc1cccc(c1)F 2708a_100000174948_100000182051 [0,2,0,0,0,0|1,0,1]=4 6888 B16R1.52 O=C(NCCCO)NCc1cccc(c1)F 273464a_100000174948_100000182051 [0,2,0,0,0,0|1,0,1]=4 6889 B16R1.52 O=C(NCCCO)NCc1cccc(c1)F 273464a_100000182051_100000174948 [0,2,0,0,0,0|1,0,1]=4 6890 B16R1.52 O=C(NCCCO)NCc1cccc(c1)F 512a_100000174948_100000182051 [0,2,0,0,0,0|1,0,1]=4 6891 B16R1.52 O=C(NCCCO)NCc1cccc(c1)I 2708a_100000106179_100000182051 [0,2,0,0,0,0|1,0,1]=4 6892 B16R1.52 O=C(NCCCO)NCc1cccc(c1)I 273464a_100000106179_100000182051 [0,2,0,0,0,0|1,0,1]=4 6893 B16R1.52 O=C(NCCCO)NCc1cccc(c1)I 273464a_100000182051_100000106179 [0,2,0,0,0,0|1,0,1]=4 6894 B16R1.52 O=C(NCCCO)NCc1cccc(c1)I 512a_100000106179_100000182051 [0,2,0,0,0,0|1,0,1]=4 6895 B16R1.52 O=C(NCCCO)NCc1cccc(c1)O 2708a_100000743036_100000182051 [0,2,0,0,0,0|1,0,1]=4 6896 B16R1.52 O=C(NCCCO)NCc1cccc(c1)O 273464a_100000182051_100000743036 [0,2,0,0,0,0|1,0,1]=4 6897 B16R1.52 O=C(NCCCO)NCc1cccc(c1)O 273464a_100000743036_100000182051 [0,2,0,0,0,0|1,0,1]=4 6898 B16R1.52 O=C(NCCCO)NCc1cccc(c1)O 512a_100000743036_100000182051 [0,2,0,0,0,0|1,0,1]=4 6899 B16R1.52 O=C(NCCCO)NNc1cccc(c1)Br 273464a_100000182051_100000217339 [0,2,0,0,0,0|2,0,0]=4 6900 B16R1.52 O=C(NCCCO)NNc1cccc(c1)Br 512a_100000217339_100000182051 [0,2,0,0,0,0|2,0,0]=4 6901 B16R1.52 O=C(NCCCO)NNc1cccc(c1)Cl 273464a_100000182051_100000184277 [0,2,0,0,0,0|2,0,0]=4 6902 B16R1.52 O=C(NCCCO)NNc1cccc(c1)F 273464a_100000182051_100000745080 [0,2,0,0,0,0|2,0,0]=4 6903 B16R1.52 O=C(NCCCO)NNc1cccc(c1)F 512a_100000745080_100000182051 [0,2,0,0,0,0|2,0,0]=4 6904 B16R1.52 O=C(NCCCO)NNc1cccc(c1)I 273464a_100000182051_100020605690 [0,2,0,0,0,0|2,0,0]=4 6905 B16R1.52 O=C(NCCCO)NNc1cccc(c1)I 512a_100020605690_100000182051 [0,2,0,0,0,0|2,0,0]=4 6906 B16R1.52 O=C(NCc1cccc(c1)Br)NNCCO 273464a_100000174977_100000210001 [0,2,0,0,0,0|1,0,1]=4 6907 B16R1.52 O=C(NCc1cccc(c1)Br)NNCCO 512a_100000174977_100000210001 [0,2,0,0,0,0|1,0,1]=4 6908 B16R1.52 O=C(NCc1cccc(c1)Cl)NNCCO 273464a_100000174878_100000210001 [0,2,0,0,0,0|1,0,1]=4 6909 B16R1.52 O=C(NCc1cccc(c1)Cl)NNCCO 512a_100000174878_100000210001 [0,2,0,0,0,0|1,0,1]=4 6910 B16R1.52 O=C(NCc1cccc(c1)F)NNCCO 273464a_100000174948_100000210001 [0,2,0,0,0,0|1,0,1]=4 6911 B16R1.52 O=C(NCc1cccc(c1)F)NNCCO 512a_100000174948_100000210001 [0,2,0,0,0,0|1,0,1]=4 6912 B16R1.52 O=C(NCc1cccc(c1)I)NNCCO 273464a_100000106179_100000210001 [0,2,0,0,0,0|1,0,1]=4 6913 B16R1.52 O=C(NCc1cccc(c1)I)NNCCO 512a_100000106179_100000210001 [0,2,0,0,0,0|1,0,1]=4 6914 B16R1.608 C=C(C)CNNC(=O)C=Cc1ccccc1 22a_100000729518_100000210462 [0,2,0,0,0,0|1,0,1]=4 6915 B16R1.608 CC(=CCNC(=O)C=Cc1ccccc1)C 11a_100000718196_100000210462 [0,2,0,0,0,0|1,0,1]=4 6916 B16R1.608 CC(=CCNC(=O)C=Cc1ccccc1)C 1626a_100000718196_100000210462 [0,2,0,0,0,0|1,0,1]=4 6917 B16R1.608 CC(=NNCC(C)O)C=Cc1ccccc1 4a_200000730056_100000204604 [0,2,0,0,0,0|1,0,0]=3 6918 B16R1.608 CC(=NNCC(C)O)C=Cc1ccccn1 4a_200000730056_100102710650 [0,2,0,0,0,0|2,0,0]=4 6919 B16R1.608 CC(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215641 [0,2,0,0,0,0|1,0,1]=4 6920 B16R1.608 CC(=O)CCNC(=O)C=Cc1ccccc1 1458a_100015194563_200000210301 [0,2,0,0,0,0|0,0,1]=3 6921 B16R1.608 CC(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011214892 [0,2,0,0,0,0|2,0,0]=4 6922 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccc1 11a_100000210545_100000210462 [0,2,0,0,0,0|1,0,0]=3 6923 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccc1 1626a_100000210545_100000210462 [0,2,0,0,0,0|1,0,0]=3 6924 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccn1 11a_100000210545_100000740811 [0,2,0,0,0,0|2,0,0]=4 6925 B16R1.608 CC(C)CCNC(=O)C=Cc1ccccn1 240690a_100000210545_100000740811 [0,2,0,0,0,0|2,0,0]=4 6926 B16R1.608 CC(C)CCNC(=O)C=Cc1cccnc1 11a_100000210545_100000735890 [0,2,0,0,0,0|2,0,0]=4 6927 B16R1.608 CC(C)CCNC(=O)C=Cc1cccnc1 240690a_100000210545_100000735890 [0,2,0,0,0,0|2,0,0]=4 6928 B16R1.608 CC(C)CCNC(=O)C=Cc1ccncc1 240690a_100000210545_100000682801 [0,2,0,0,0,0|2,0,0]=4 6929 B16R1.608 CC(C)CNNC(=O)C=Cc1ccccc1 22a_100000696102_100000210462 [0,2,0,0,0,0|1,0,0]=3 6930 B16R1.608 CC(C)CNNC(=O)C=Cc1ccccn1 22a_100000696102_100000740811 [0,2,0,0,0,0|2,0,0]=4 6931 B16R1.608 CC(C)CNNC(=O)C=Cc1cccnc1 22a_100000696102_100000735890 [0,2,0,0,0,0|2,0,0]=4 6932 B16R1.608 CC(C)CNNC(=O)C=Cc1ccncc1 22a_100000696102_100000682801 [0,2,0,0,0,0|2,0,0]=4 6933 B16R1.608 CC(C)OCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000211751 [0,2,0,0,0,0|2,0,0]=4 6934 B16R1.608 CC(C)SCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000730970 [0,2,0,0,0,0|2,0,0]=4 6935 B16R1.608 CC(O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_200000718107 [0,2,0,0,0,0|1,0,0]=3 6936 B16R1.608 CC(O)CCCC(=O)C=Cc1ccccn1 1458a_100000740811_200000718107 [0,2,0,0,0,0|2,0,0]=4 6937 B16R1.608 CC(O)CCCC(=O)C=Cc1cccnc1 1458a_100000735890_200000718107 [0,2,0,0,0,0|2,0,0]=4 6938 B16R1.608 CC(O)CCCC(=O)C=Cc1ccncc1 1458a_100000682801_200000718107 [0,2,0,0,0,0|2,0,0]=4 6939 B16R1.608 CC(O)CCNC(=O)C#Cc1ccccc1 240690a_200000755665_100000736102 [0,2,0,0,0,0|0,0,2]=4 6940 B16R1.608 CC(O)CCNC(=O)C=Cc1ccccn1 240690a_200000755665_100000740811 [0,2,0,0,0,0|1,0,0]=3 6941 B16R1.608 CC(O)CCNC(=O)C=Cc1cccnc1 240690a_200000755665_100000735890 [0,2,0,0,0,0|1,0,0]=3 6942 B16R1.608 CC(O)CCNC(=O)C=Cc1ccncc1 240690a_200000755665_100000682801 [0,2,0,0,0,0|1,0,0]=3 6943 B16R1.608 CC(O)CCNC(=O)CCc1ccccc1 240690a_200000755665_100000185753 [0,2,0,0,0,0|0,0,2]=4 6944 B16R1.608 CC(O)CCNC(=O)CCc1ccccc1 527a_200000755665_100000185753 [0,2,0,0,0,0|0,0,2]=4 6945 B16R1.608 CC(O)CCNC(=O)COc1ccccc1 240690a_200000755665_100000186222 [0,2,0,0,0,0|1,0,1]=4 6946 B16R1.608 CC(O)CCNC(=O)COc1ccccc1 527a_200000755665_100000186222 [0,2,0,0,0,0|1,0,1]=4 6947 B16R1.608 CC(O)CCNC(=O)CSc1ccccc1 240690a_200000755665_100000211596 [0,2,0,0,0,0|1,0,1]=4 6948 B16R1.608 CC(O)CCNC(=O)CSc1ccccc1 527a_200000755665_100000211596 [0,2,0,0,0,0|1,0,1]=4 6949 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 2708a_100015324214_200000755665 [0,2,0,0,0,0|1,0,1]=4 6950 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 273464a_200000755665_100015324214 [0,2,0,0,0,0|1,0,1]=4 6951 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 512a_100015324214_200000755665 [0,2,0,0,0,0|1,0,1]=4 6952 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 512a_200000755665_100015324214 [0,2,0,0,0,0|1,0,1]=4 6953 B16R1.608 CC(O)CCNC(=O)NNc1ccccc1 273464a_200000755665_100015195140 [0,2,0,0,0,0|2,0,0]=4 6954 B16R1.608 CC(O)CCNC(=O)NNc1ccccc1 512a_200000755665_100015195140 [0,2,0,0,0,0|2,0,0]=4 6955 B16R1.608 CC(O)CNCC(=O)CCc1ccccc1 2230a_100000210904_100012361361 [0,2,0,0,0,0|0,0,2]=4 6956 B16R1.608 CC(O)CNCC(=O)CCc1ccccc1 34a_100000210904_100012361361 [0,2,0,0,0,0|0,0,2]=4 6957 B16R1.608 CC(O)CNCC(=O)NCc1ccccc1 2230a_100000210904_100000183539 [0,2,0,0,0,0|1,0,1]=4 6958 B16R1.608 CC(O)CNCC(=O)NCc1ccccc1 2230a_100000739245_100011218427 [0,2,0,0,0,0|1,0,1]=4 6959 B16R1.608 CC(O)CNCC(=O)NCc1ccccc1 34a_100000210904_100000183539 [0,2,0,0,0,0|1,0,1]=4 6960 B16R1.608 CC(O)CNCC(=O)OCc1ccccc1 2230a_100000210904_100000753625 [0,2,0,0,0,0|1,0,1]=4 6961 B16R1.608 CC(O)CNCC(=O)OCc1ccccc1 34a_100000210904_100000753625 [0,2,0,0,0,0|1,0,1]=4 6962 B16R1.608 CC(O)CNNC(=O)C#Cc1ccccc1 22a_200000730056_100000736102 [0,2,0,0,0,0|0,0,2]=4 6963 B16R1.608 CC(O)CNNC(=O)C=Cc1ccccc1 22a_200000730056_100000210462 [0,2,0,0,0,0|0,0,0]=2 6964 B16R1.608 CC(O)CNNC(=O)C=Cc1ccccn1 22a_200000730056_100000740811 [0,2,0,0,0,0|1,0,0]=3 6965 B16R1.608 CC(O)CNNC(=O)C=Cc1cccnc1 22a_200000730056_100000735890 [0,2,0,0,0,0|1,0,0]=3 6966 B16R1.608 CC(O)CNNC(=O)C=Cc1ccncc1 22a_200000730056_100000682801 [0,2,0,0,0,0|1,0,0]=3 6967 B16R1.608 CC(O)CNNC(=O)CCc1ccccc1 22a_200000730056_100000185753 [0,2,0,0,0,0|0,0,2]=4 6968 B16R1.608 CC(O)CNNC(=O)COc1ccccc1 22a_200000730056_100000186222 [0,2,0,0,0,0|1,0,1]=4 6969 B16R1.608 CC(O)CNNC(=O)CSc1ccccc1 22a_200000730056_100000211596 [0,2,0,0,0,0|1,0,1]=4 6970 B16R1.608 CC(O)CNNC(=O)NCc1ccccc1 512a_100015324214_200000730056 [0,2,0,0,0,0|1,0,1]=4 6971 B16R1.608 CC(O)CNNC(=O)NCc1ccccc1 512a_200000730056_100015324214 [0,2,0,0,0,0|1,0,1]=4 6972 B16R1.608 CN(C)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000695564 [0,2,0,0,0,0|2,0,0]=4 6973 B16R1.608 CN(C)CCNC(=O)C=Cc1ccccn1 240690a_100000210585_100000740811 [0,2,0,0,0,0|2,0,0]=4 6974 B16R1.608 CN(C)CCNC(=O)C=Cc1cccnc1 240690a_100000210585_100000735890 [0,2,0,0,0,0|2,0,0]=4 6975 B16R1.608 CN(C)CCNC(=O)C=Cc1ccncc1 240690a_100000210585_100000682801 [0,2,0,0,0,0|2,0,0]=4 6976 B16R1.608 C[C@@H](O)CNCC(=O)NCc1ccccc1 2230a_100000739245_100009817552 [0,2,0,0,0,0|1,0,1]=4 6977 B16R1.608 NC(=O)CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100102525003 [0,2,0,0,0,0|1,0,1]=4 6978 B16R1.608 NC(=O)CCNC(=O)C=Cc1ccccc1 11a_100000740010_100000210462 [0,2,0,0,0,0|0,0,1]=3 6979 B16R1.608 NC(=O)CCNC(=O)C=Cc1ccccn1 11a_100000740010_100000740811 [0,2,0,0,0,0|1,0,1]=4 6980 B16R1.608 NC(=O)CCNC(=O)C=Cc1ccccn1 240690a_100000740010_100000740811 [0,2,0,0,0,0|1,0,1]=4 6981 B16R1.608 NC(=O)CCNC(=O)C=Cc1cccnc1 11a_100000740010_100000735890 [0,2,0,0,0,0|1,0,1]=4 6982 B16R1.608 NC(=O)CCNC(=O)C=Cc1cccnc1 240690a_100000740010_100000735890 [0,2,0,0,0,0|1,0,1]=4 6983 B16R1.608 NC(=O)CCNC(=O)C=Cc1ccncc1 240690a_100000740010_100000682801 [0,2,0,0,0,0|1,0,1]=4 6984 B16R1.608 [13CH3]C(=O)CCNC(=O)C=Cc1ccccc1 1458a_100015194563_200025704644 [0,2,0,0,0,0|0,0,1]=3 6985 B16R1.688 C#CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100010269958 [0,2,0,0,0,0|2,0,0]=4 6986 B16R1.688 C#CCCCNC(=O)C=Cc1ccccc1 11a_100000718082_100000210462 [0,2,0,0,0,0|1,0,0]=3 6987 B16R1.688 C#CCCCNC(=O)C=Cc1ccccc1 1626a_100000718082_100000210462 [0,2,0,0,0,0|1,0,0]=3 6988 B16R1.688 C#CCCCNC(=O)C=Cc1ccccn1 11a_100000718082_100000740811 [0,2,0,0,0,0|2,0,0]=4 6989 B16R1.688 C#CCCCNC(=O)C=Cc1ccccn1 240690a_100000718082_100000740811 [0,2,0,0,0,0|2,0,0]=4 6990 B16R1.688 C#CCCCNC(=O)C=Cc1cccnc1 11a_100000718082_100000735890 [0,2,0,0,0,0|2,0,0]=4 6991 B16R1.688 C#CCCCNC(=O)C=Cc1cccnc1 240690a_100000718082_100000735890 [0,2,0,0,0,0|2,0,0]=4 6992 B16R1.688 C#CCCCNC(=O)C=Cc1ccncc1 240690a_100000718082_100000682801 [0,2,0,0,0,0|2,0,0]=4 6993 B16R1.688 C#CCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100010402529 [0,2,0,0,0,0|2,0,0]=4 6994 B16R1.688 C=CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215482 [0,2,0,0,0,0|2,0,0]=4 6995 B16R1.688 C=CCCCNC(=O)C=Cc1ccccc1 11a_100000700776_100000210462 [0,2,0,0,0,0|1,0,0]=3 6996 B16R1.688 C=CCCCNC(=O)C=Cc1ccccc1 1626a_100000700776_100000210462 [0,2,0,0,0,0|1,0,0]=3 6997 B16R1.688 C=CCCCNC(=O)C=Cc1ccccn1 11a_100000700776_100000740811 [0,2,0,0,0,0|2,0,0]=4 6998 B16R1.688 C=CCCCNC(=O)C=Cc1ccccn1 240690a_100000700776_100000740811 [0,2,0,0,0,0|2,0,0]=4 6999 B16R1.688 C=CCCCNC(=O)C=Cc1cccnc1 11a_100000700776_100000735890 [0,2,0,0,0,0|2,0,0]=4 7000 B16R1.688 C=CCCCNC(=O)C=Cc1cccnc1 240690a_100000700776_100000735890 [0,2,0,0,0,0|2,0,0]=4 7001 B16R1.688 C=CCCCNC(=O)C=Cc1ccncc1 240690a_100000700776_100000682801 [0,2,0,0,0,0|2,0,0]=4 7002 B16R1.688 CC(=NNCCC#N)C=Cc1ccccc1 4a_100000229987_100000204604 [0,2,0,0,0,0|2,0,0]=4 7003 B16R1.688 CC/C=C\CCC(=O)C=Cc1ccccc1 1458a_100000210462_100015370543 [0,2,0,0,0,0|2,0,0]=4 7004 B16R1.688 CCCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210757 [0,2,0,0,0,0|2,0,0]=4 7005 B16R1.688 CCCCCNC(=O)C=Cc1ccccc1 11a_100000209983_100000210462 [0,2,0,0,0,0|1,0,0]=3 7006 B16R1.688 CCCCCNC(=O)C=Cc1ccccc1 1626a_100000209983_100000210462 [0,2,0,0,0,0|1,0,0]=3 7007 B16R1.688 CCCCCNC(=O)C=Cc1ccccn1 11a_100000209983_100000740811 [0,2,0,0,0,0|2,0,0]=4 7008 B16R1.688 CCCCCNC(=O)C=Cc1ccccn1 240690a_100000209983_100000740811 [0,2,0,0,0,0|2,0,0]=4 7009 B16R1.688 CCCCCNC(=O)C=Cc1cccnc1 11a_100000209983_100000735890 [0,2,0,0,0,0|2,0,0]=4 7010 B16R1.688 CCCCCNC(=O)C=Cc1cccnc1 240690a_100000209983_100000735890 [0,2,0,0,0,0|2,0,0]=4 7011 B16R1.688 CCCCCNC(=O)C=Cc1ccncc1 240690a_100000209983_100000682801 [0,2,0,0,0,0|2,0,0]=4 7012 B16R1.688 CCCCNN=C(C)C=Cc1ccccc1 4a_100025702795_100000204604 [0,2,0,0,0,0|2,0,0]=4 7013 B16R1.688 CCCCNNC(=O)C=Cc1ccccc1 22a_100025702795_100000210462 [0,2,0,0,0,0|1,0,0]=3 7014 B16R1.688 CCCCNNC(=O)C=Cc1ccccn1 22a_100025702795_100000740811 [0,2,0,0,0,0|2,0,0]=4 7015 B16R1.688 CCCCNNC(=O)C=Cc1cccnc1 22a_100025702795_100000735890 [0,2,0,0,0,0|2,0,0]=4 7016 B16R1.688 CCCCNNC(=O)C=Cc1ccncc1 22a_100025702795_100000682801 [0,2,0,0,0,0|2,0,0]=4 7017 B16R1.688 CCCCOCC(=O)C=Cc1ccccc1 1458a_100000210462_100011995733 [0,2,0,0,0,0|2,0,0]=4 7018 B16R1.688 CCCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100011215938 [0,2,0,0,0,0|2,0,0]=4 7019 B16R1.688 CCOCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100012232248 [0,2,0,0,0,0|1,0,0]=3 7020 B16R1.688 CCOCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100012232248 [0,2,0,0,0,0|2,0,0]=4 7021 B16R1.688 CCOCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100012232248 [0,2,0,0,0,0|2,0,0]=4 7022 B16R1.688 CCOCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100012232248 [0,2,0,0,0,0|2,0,0]=4 7023 B16R1.688 CCOCCNC(=O)C#Cc1ccccc1 240690a_100011200944_100000736102 [0,2,0,0,0,0|0,0,2]=4 7024 B16R1.688 CCOCCNC(=O)C=Cc1ccccc1 11a_100011200944_100000210462 [0,2,0,0,0,0|0,0,0]=2 7025 B16R1.688 CCOCCNC(=O)C=Cc1ccccc1 1626a_102516460346_100000210462 [0,2,0,0,0,0|0,0,0]=2 7026 B16R1.688 CCOCCNC(=O)C=Cc1ccccn1 11a_100011200944_100000740811 [0,2,0,0,0,0|1,0,0]=3 7027 B16R1.688 CCOCCNC(=O)C=Cc1ccccn1 240690a_100011200944_100000740811 [0,2,0,0,0,0|1,0,0]=3 7028 B16R1.688 CCOCCNC(=O)C=Cc1cccnc1 11a_100011200944_100000735890 [0,2,0,0,0,0|1,0,0]=3 7029 B16R1.688 CCOCCNC(=O)C=Cc1cccnc1 240690a_100011200944_100000735890 [0,2,0,0,0,0|1,0,0]=3 7030 B16R1.688 CCOCCNC(=O)C=Cc1ccncc1 240690a_100011200944_100000682801 [0,2,0,0,0,0|1,0,0]=3 7031 B16R1.688 CCOCCNC(=O)CCc1ccccc1 11a_100011200944_100000185753 [0,2,0,0,0,0|0,0,2]=4 7032 B16R1.688 CCOCCNC(=O)CCc1ccccc1 1626a_102516460346_100000185753 [0,2,0,0,0,0|0,0,2]=4 7033 B16R1.688 CCOCCNC(=O)CCc1ccccc1 240690a_100011200944_100000185753 [0,2,0,0,0,0|0,0,2]=4 7034 B16R1.688 CCOCCNC(=O)CCc1ccccc1 527a_100011200944_100000185753 [0,2,0,0,0,0|0,0,2]=4 7035 B16R1.688 CCOCCNC(=O)COc1ccccc1 11a_100011200944_100000186222 [0,2,0,0,0,0|1,0,1]=4 7036 B16R1.688 CCOCCNC(=O)COc1ccccc1 1626a_102516460346_100000186222 [0,2,0,0,0,0|1,0,1]=4 7037 B16R1.688 CCOCCNC(=O)COc1ccccc1 240690a_100011200944_100000186222 [0,2,0,0,0,0|1,0,1]=4 7038 B16R1.688 CCOCCNC(=O)COc1ccccc1 527a_100011200944_100000186222 [0,2,0,0,0,0|1,0,1]=4 7039 B16R1.688 CCOCCNC(=O)CSc1ccccc1 11a_100011200944_100000211596 [0,2,0,0,0,0|1,0,1]=4 7040 B16R1.688 CCOCCNC(=O)CSc1ccccc1 1626a_102516460346_100000211596 [0,2,0,0,0,0|1,0,1]=4 7041 B16R1.688 CCOCCNC(=O)CSc1ccccc1 240690a_100011200944_100000211596 [0,2,0,0,0,0|1,0,1]=4 7042 B16R1.688 CCOCCNC(=O)CSc1ccccc1 527a_100011200944_100000211596 [0,2,0,0,0,0|1,0,1]=4 7043 B16R1.688 CCOCCNC(=O)NCc1ccccc1 2708a_100011200944_100015324214 [0,2,0,0,0,0|1,0,1]=4 7044 B16R1.688 CCOCCNC(=O)NCc1ccccc1 2708a_100015324214_100011200944 [0,2,0,0,0,0|1,0,1]=4 7045 B16R1.688 CCOCCNC(=O)NCc1ccccc1 273464a_100015324214_102516460346 [0,2,0,0,0,0|1,0,1]=4 7046 B16R1.688 CCOCCNC(=O)NCc1ccccc1 273464a_102516460346_100015324214 [0,2,0,0,0,0|1,0,1]=4 7047 B16R1.688 CCOCCNC(=O)NCc1ccccc1 512a_100011200944_100015324214 [0,2,0,0,0,0|1,0,1]=4 7048 B16R1.688 CCOCCNC(=O)NCc1ccccc1 512a_100015324214_100011200944 [0,2,0,0,0,0|1,0,1]=4 7049 B16R1.688 CCOCCNC(=O)NNc1ccccc1 273464a_102516460346_100015195140 [0,2,0,0,0,0|2,0,0]=4 7050 B16R1.688 CCOCCNC(=O)NNc1ccccc1 512a_100011200944_100015195140 [0,2,0,0,0,0|2,0,0]=4 7051 B16R1.688 CCOCCNC(=O)OCc1ccccc1 34a_100000159002_100000210202 [0,2,0,0,0,0|1,0,1]=4 7052 B16R1.688 CCOCCNC(=O)OCc1ccccc1 7a_100000159002_100000210202 [0,2,0,0,0,0|1,0,1]=4 7053 B16R1.688 CCSCCNC(=O)C=Cc1ccccc1 11a_100000106463_100000210462 [0,2,0,0,0,0|0,1,0]=3 7054 B16R1.688 CCSCCNC(=O)C=Cc1ccccc1 1626a_100000106463_100000210462 [0,2,0,0,0,0|0,1,0]=3 7055 B16R1.688 CCSCCNC(=O)C=Cc1ccccn1 11a_100000106463_100000740811 [0,2,0,0,0,0|1,1,0]=4 7056 B16R1.688 CCSCCNC(=O)C=Cc1ccccn1 240690a_100000106463_100000740811 [0,2,0,0,0,0|1,1,0]=4 7057 B16R1.688 CCSCCNC(=O)C=Cc1cccnc1 11a_100000106463_100000735890 [0,2,0,0,0,0|1,1,0]=4 7058 B16R1.688 CCSCCNC(=O)C=Cc1cccnc1 240690a_100000106463_100000735890 [0,2,0,0,0,0|1,1,0]=4 7059 B16R1.688 CCSCCNC(=O)C=Cc1ccncc1 240690a_100000106463_100000682801 [0,2,0,0,0,0|1,1,0]=4 7060 B16R1.688 COCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000755781 [0,2,0,0,0,0|1,0,0]=3 7061 B16R1.688 COCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000755781 [0,2,0,0,0,0|2,0,0]=4 7062 B16R1.688 COCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000755781 [0,2,0,0,0,0|2,0,0]=4 7063 B16R1.688 COCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000755781 [0,2,0,0,0,0|2,0,0]=4 7064 B16R1.688 COCCCNC(=O)C#Cc1ccccc1 240690a_100150723488_100000736102 [0,2,0,0,0,0|0,0,2]=4 7065 B16R1.688 COCCCNC(=O)C=Cc1ccccc1 1626a_100150723488_100000210462 [0,2,0,0,0,0|0,0,0]=2 7066 B16R1.688 COCCCNC(=O)C=Cc1ccccn1 240690a_100150723488_100000740811 [0,2,0,0,0,0|1,0,0]=3 7067 B16R1.688 COCCCNC(=O)C=Cc1cccnc1 240690a_100150723488_100000735890 [0,2,0,0,0,0|1,0,0]=3 7068 B16R1.688 COCCCNC(=O)C=Cc1ccncc1 240690a_100150723488_100000682801 [0,2,0,0,0,0|1,0,0]=3 7069 B16R1.688 COCCCNC(=O)CCc1ccccc1 1626a_100150723488_100000185753 [0,2,0,0,0,0|0,0,2]=4 7070 B16R1.688 COCCCNC(=O)CCc1ccccc1 240690a_100150723488_100000185753 [0,2,0,0,0,0|0,0,2]=4 7071 B16R1.688 COCCCNC(=O)CCc1ccccc1 527a_100150723488_100000185753 [0,2,0,0,0,0|0,0,2]=4 7072 B16R1.688 COCCCNC(=O)CNc1ccccc1 34a_100000106764_100000183178 [0,2,0,0,0,0|1,0,1]=4 7073 B16R1.688 COCCCNC(=O)COc1ccccc1 1626a_100150723488_100000186222 [0,2,0,0,0,0|1,0,1]=4 7074 B16R1.688 COCCCNC(=O)COc1ccccc1 240690a_100150723488_100000186222 [0,2,0,0,0,0|1,0,1]=4 7075 B16R1.688 COCCCNC(=O)COc1ccccc1 34a_100000210340_100000183178 [0,2,0,0,0,0|1,0,1]=4 7076 B16R1.688 COCCCNC(=O)COc1ccccc1 527a_100150723488_100000186222 [0,2,0,0,0,0|1,0,1]=4 7077 B16R1.688 COCCCNC(=O)COc1ccccc1 7a_100000210340_100000183178 [0,2,0,0,0,0|1,0,1]=4 7078 B16R1.688 COCCCNC(=O)CSc1ccccc1 1626a_100150723488_100000211596 [0,2,0,0,0,0|1,0,1]=4 7079 B16R1.688 COCCCNC(=O)CSc1ccccc1 240690a_100150723488_100000211596 [0,2,0,0,0,0|1,0,1]=4 7080 B16R1.688 COCCCNC(=O)CSc1ccccc1 527a_100150723488_100000211596 [0,2,0,0,0,0|1,0,1]=4 7081 B16R1.688 COCCCNC(=O)CSc1ccccc1 62a_100000183178_100000041952 [0,2,0,0,0,0|1,0,1]=4 7082 B16R1.688 COCCCNC(=O)NCc1ccccc1 2708a_100015324214_100150723488 [0,2,0,0,0,0|1,0,1]=4 7083 B16R1.688 COCCCNC(=O)NCc1ccccc1 2708a_100150723488_100015324214 [0,2,0,0,0,0|1,0,1]=4 7084 B16R1.688 COCCCNC(=O)NCc1ccccc1 273464a_100015324214_100150723488 [0,2,0,0,0,0|1,0,1]=4 7085 B16R1.688 COCCCNC(=O)NCc1ccccc1 273464a_100150723488_100015324214 [0,2,0,0,0,0|1,0,1]=4 7086 B16R1.688 COCCCNC(=O)NCc1ccccc1 512a_100015324214_100150723488 [0,2,0,0,0,0|1,0,1]=4 7087 B16R1.688 COCCCNC(=O)NNc1ccccc1 273464a_100150723488_100015195140 [0,2,0,0,0,0|2,0,0]=4 7088 B16R1.688 COCCCNC(=O)OCc1ccccc1 34a_100011215709_200000210301 [0,2,0,0,0,0|1,0,1]=4 7089 B16R1.688 COCCCNC(=O)OCc1ccccc1 34a_100138415774_100012340047 [0,2,0,0,0,0|1,0,1]=4 7090 B16R1.688 COCCCNC(=O)OCc1ccccc1 7a_100011215709_200000210301 [0,2,0,0,0,0|1,0,1]=4 7091 B16R1.688 COCCNCC(=O)CCc1ccccc1 2230a_100000209980_100012361361 [0,2,0,0,0,0|0,0,2]=4 7092 B16R1.688 COCCNCC(=O)NCc1ccccc1 2230a_100000209980_100000183539 [0,2,0,0,0,0|1,0,1]=4 7093 B16R1.688 COCCNCC(=O)NCc1ccccc1 2230a_100000739245_100011201679 [0,2,0,0,0,0|1,0,1]=4 7094 B16R1.688 COCCNCC(=O)OCc1ccccc1 2230a_100000209980_100000753625 [0,2,0,0,0,0|1,0,1]=4 7095 B16R1.688 COCCNNC(=O)C#Cc1ccccc1 22a_100000741390_100000736102 [0,2,0,0,0,0|0,0,2]=4 7096 B16R1.688 COCCNNC(=O)C=Cc1ccccc1 22a_100000741390_100000210462 [0,2,0,0,0,0|0,0,0]=2 7097 B16R1.688 COCCNNC(=O)C=Cc1ccccn1 22a_100000741390_100000740811 [0,2,0,0,0,0|1,0,0]=3 7098 B16R1.688 COCCNNC(=O)C=Cc1cccnc1 22a_100000741390_100000735890 [0,2,0,0,0,0|1,0,0]=3 7099 B16R1.688 COCCNNC(=O)C=Cc1ccncc1 22a_100000741390_100000682801 [0,2,0,0,0,0|1,0,0]=3 7100 B16R1.688 COCCNNC(=O)CCc1ccccc1 22a_100000741390_100000185753 [0,2,0,0,0,0|0,0,2]=4 7101 B16R1.688 COCCNNC(=O)COc1ccccc1 22a_100000741390_100000186222 [0,2,0,0,0,0|1,0,1]=4 7102 B16R1.688 COCCNNC(=O)CSc1ccccc1 22a_100000741390_100000211596 [0,2,0,0,0,0|1,0,1]=4 7103 B16R1.688 COCCNNC(=O)NCc1ccccc1 273464a_100015324214_100000741390 [0,2,0,0,0,0|1,0,1]=4 7104 B16R1.688 CSCCCNC(=O)C=Cc1ccccc1 11a_100000749238_100000210462 [0,2,0,0,0,0|0,1,0]=3 7105 B16R1.688 CSCCCNC(=O)C=Cc1ccccc1 1626a_100000749238_100000210462 [0,2,0,0,0,0|0,1,0]=3 7106 B16R1.688 CSCCCNC(=O)C=Cc1ccccn1 11a_100000749238_100000740811 [0,2,0,0,0,0|1,1,0]=4 7107 B16R1.688 CSCCCNC(=O)C=Cc1ccccn1 240690a_100000749238_100000740811 [0,2,0,0,0,0|1,1,0]=4 7108 B16R1.688 CSCCCNC(=O)C=Cc1cccnc1 11a_100000749238_100000735890 [0,2,0,0,0,0|1,1,0]=4 7109 B16R1.688 CSCCCNC(=O)C=Cc1cccnc1 240690a_100000749238_100000735890 [0,2,0,0,0,0|1,1,0]=4 7110 B16R1.688 CSCCCNC(=O)C=Cc1ccncc1 240690a_100000749238_100000682801 [0,2,0,0,0,0|1,1,0]=4 7111 B16R1.688 N#CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000211819 [0,2,0,0,0,0|2,0,0]=4 7112 B16R1.688 N#CCCNNC(=O)C=Cc1ccccc1 22a_100000229987_100000210462 [0,2,0,0,0,0|1,0,0]=3 7113 B16R1.688 N#CCCNNC(=O)C=Cc1ccccn1 22a_100000229987_100000740811 [0,2,0,0,0,0|2,0,0]=4 7114 B16R1.688 N#CCCNNC(=O)C=Cc1cccnc1 22a_100000229987_100000735890 [0,2,0,0,0,0|2,0,0]=4 7115 B16R1.688 N#CCCNNC(=O)C=Cc1ccncc1 22a_100000229987_100000682801 [0,2,0,0,0,0|2,0,0]=4 7116 B16R1.688 N#CCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_200000047693 [0,2,0,0,0,0|2,0,0]=4 7117 B16R1.688 O=C(C#Cc1ccccc1)NCCCCO 240690a_100000750430_100000736102 [0,2,0,0,0,0|0,0,2]=4 7118 B16R1.688 O=C(C=Cc1ccccc1)CCCCCF 1458a_100000210462_100000729378 [0,2,0,0,0,0|2,0,0]=4 7119 B16R1.688 O=C(C=Cc1ccccc1)CCCCCO 1458a_100000210462_100000746330 [0,2,0,0,0,0|1,0,0]=3 7120 B16R1.688 O=C(C=Cc1ccccc1)CCOCCO 1458a_100000210462_100011215305 [0,2,0,0,0,0|1,0,0]=3 7121 B16R1.688 O=C(C=Cc1ccccn1)CCCCCO 1458a_100000740811_100000746330 [0,2,0,0,0,0|2,0,0]=4 7122 B16R1.688 O=C(C=Cc1ccccn1)CCOCCO 1458a_100000740811_100011215305 [0,2,0,0,0,0|2,0,0]=4 7123 B16R1.688 O=C(C=Cc1ccccn1)NCCCCO 240690a_100000750430_100000740811 [0,2,0,0,0,0|1,0,0]=3 7124 B16R1.688 O=C(C=Cc1cccnc1)CCCCCO 1458a_100000735890_100000746330 [0,2,0,0,0,0|2,0,0]=4 7125 B16R1.688 O=C(C=Cc1cccnc1)CCOCCO 1458a_100000735890_100011215305 [0,2,0,0,0,0|2,0,0]=4 7126 B16R1.688 O=C(C=Cc1cccnc1)NCCCCO 240690a_100000750430_100000735890 [0,2,0,0,0,0|1,0,0]=3 7127 B16R1.688 O=C(C=Cc1ccncc1)CCCCCO 1458a_100000682801_100000746330 [0,2,0,0,0,0|2,0,0]=4 7128 B16R1.688 O=C(C=Cc1ccncc1)CCOCCO 1458a_100000682801_100011215305 [0,2,0,0,0,0|2,0,0]=4 7129 B16R1.688 O=C(C=Cc1ccncc1)NCCCCO 240690a_100000750430_100000682801 [0,2,0,0,0,0|1,0,0]=3 7130 B16R1.688 O=C(CCNCCO)NCc1ccccc1 2230a_100025741942_100000211926 [0,2,0,0,0,0|1,0,1]=4 7131 B16R1.688 O=C(CCNCCO)NCc1ccccc1 34a_100025741942_100000211926 [0,2,0,0,0,0|1,0,1]=4 7132 B16R1.688 O=C(CCNCCO)OCc1ccccc1 2230a_100016997473_100009813219 [0,2,0,0,0,0|1,0,1]=4 7133 B16R1.688 O=C(CCc1ccccc1)NCCCCO 240690a_100000750430_100000185753 [0,2,0,0,0,0|0,0,2]=4 7134 B16R1.688 O=C(CCc1ccccc1)NCCCCO 527a_100000750430_100000185753 [0,2,0,0,0,0|0,0,2]=4 7135 B16R1.688 O=C(CNCCCO)NCc1ccccc1 2230a_100000739245_100000230001 [0,2,0,0,0,0|1,0,1]=4 7136 B16R1.688 O=C(COc1ccccc1)NCCCCO 240690a_100000750430_100000186222 [0,2,0,0,0,0|1,0,1]=4 7137 B16R1.688 O=C(COc1ccccc1)NCCCCO 527a_100000750430_100000186222 [0,2,0,0,0,0|1,0,1]=4 7138 B16R1.688 O=C(CSc1ccccc1)NCCCCO 240690a_100000750430_100000211596 [0,2,0,0,0,0|1,0,1]=4 7139 B16R1.688 O=C(CSc1ccccc1)NCCCCO 527a_100000750430_100000211596 [0,2,0,0,0,0|1,0,1]=4 7140 B16R1.688 O=C(NCCCCO)NCc1ccccc1 2708a_100000750430_100015324214 [0,2,0,0,0,0|1,0,1]=4 7141 B16R1.688 O=C(NCCCCO)NCc1ccccc1 2708a_100015324214_100000750430 [0,2,0,0,0,0|1,0,1]=4 7142 B16R1.688 O=C(NCCCCO)NCc1ccccc1 273464a_100000750430_100015324214 [0,2,0,0,0,0|1,0,1]=4 7143 B16R1.688 O=C(NCCCCO)NCc1ccccc1 273464a_100015324214_100000750430 [0,2,0,0,0,0|1,0,1]=4 7144 B16R1.688 O=C(NCCCCO)NCc1ccccc1 512a_100000750430_100015324214 [0,2,0,0,0,0|1,0,1]=4 7145 B16R1.688 O=C(NCCCCO)NCc1ccccc1 512a_100015324214_100000750430 [0,2,0,0,0,0|1,0,1]=4 7146 B16R1.688 O=C(NCCCCO)NNc1ccccc1 273464a_100000750430_100015195140 [0,2,0,0,0,0|2,0,0]=4 7147 B16R1.688 O=C(NCCCCO)NNc1ccccc1 512a_100000750430_100015195140 [0,2,0,0,0,0|2,0,0]=4 7148 B16R1.688 O=C(NCCOCF)OCc1ccccc1 34a_100000159002_100015361967 [0,2,0,0,0,0|1,0,1]=4 7149 B16R1.688 O=C(NCCOCF)OCc1ccccc1 7a_100000159002_100015361967 [0,2,0,0,0,0|1,0,1]=4 7150 B16R1.688 [13CH3]OCCCNC(=O)OCc1ccccc1 34a_100011215709_200025704644 [0,2,0,0,0,0|1,0,1]=4 7151 B16R1.688 [13CH3]OCCCNC(=O)OCc1ccccc1 7a_100011215709_200025704644 [0,2,0,0,0,0|1,0,1]=4 7152 B16R1.1216 C#CCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000731252 [0,2,0,0,0,0|2,0,0]=4 7153 B16R1.1216 C#CCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000731252 [0,2,0,0,0,0|2,0,0]=4 7154 B16R1.1216 C#CCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000731252 [0,2,0,0,0,0|2,0,0]=4 7155 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccc1)/C 11a_100000755551_100016990649 [0,2,0,0,0,0|1,0,0]=3 7156 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000755551_100016990649 [0,2,0,0,0,0|1,0,0]=3 7157 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccc1)/C 527a_100000755551_100016990649 [0,2,0,0,0,0|1,0,0]=3 7158 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000755551_200020598536 [0,2,0,0,0,0|1,0,0]=3 7159 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000755551_200020598536 [0,2,0,0,0,0|1,0,0]=3 7160 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000755551_200020598536 [0,2,0,0,0,0|1,0,0]=3 7161 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000755551_200020598536 [0,2,0,0,0,0|1,0,0]=3 7162 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccn1)/C 11a_100000755551_100025712827 [0,2,0,0,0,0|2,0,0]=4 7163 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100000755551_100025712827 [0,2,0,0,0,0|2,0,0]=4 7164 B16R1.1216 C#CCCNC(=O)/C(=C/c1ccccn1)/C 527a_100000755551_100025712827 [0,2,0,0,0,0|2,0,0]=4 7165 B16R1.1216 C#CCCNC(=O)/C(=C\c1ccccc1)/F 11a_100000755551_100020889036 [0,2,0,0,0,0|1,0,0]=3 7166 B16R1.1216 C#CCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000755551_100020889036 [0,2,0,0,0,0|1,0,0]=3 7167 B16R1.1216 C#CCCNC(=O)C(=C)Cc1ccccc1 11a_100000755551_100000066491 [0,2,0,0,0,0|1,0,1]=4 7168 B16R1.1216 C#CCCNC(=O)C(=C)Cc1ccccc1 1626a_100000755551_100000066491 [0,2,0,0,0,0|1,0,1]=4 7169 B16R1.1216 C#CCCNC(=O)C(=Cc1cccnc1)F 11a_100000755551_100000731744 [0,2,0,0,0,0|2,0,0]=4 7170 B16R1.1216 C#CCCNC(=O)C(=Cc1cccnc1)F 240690a_100000755551_100000731744 [0,2,0,0,0,0|2,0,0]=4 7171 B16R1.1216 C#CCCNC(=O)C(=Cc1cccnc1)F 527a_100000755551_100000731744 [0,2,0,0,0,0|2,0,0]=4 7172 B16R1.1216 C#CCCNC(=O)C(=O)Nc1ccccc1 240690a_100000755551_100000738435 [0,2,0,0,0,0|2,0,0]=4 7173 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)CC#CCO 1458a_100016990649_200000047223 [0,2,0,0,0,0|1,0,1]=4 7174 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)CCCC#N 1458a_100016990649_100000211468 [0,2,0,0,0,0|2,0,0]=4 7175 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)CCCCF 1458a_100016990649_100000729493 [0,2,0,0,0,0|2,0,0]=4 7176 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)CCCCO 1458a_100016990649_100000210776 [0,2,0,0,0,0|1,0,0]=3 7177 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCC#N 11a_100000720768_100016990649 [0,2,0,0,0,0|1,0,0]=3 7178 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCC#N 1626a_100000720768_100016990649 [0,2,0,0,0,0|1,0,0]=3 7179 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCC#N 527a_100000720768_100016990649 [0,2,0,0,0,0|1,0,0]=3 7180 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCCF 11a_100015189416_100016990649 [0,2,0,0,0,0|1,0,0]=3 7181 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCCF 1626a_100015189416_100016990649 [0,2,0,0,0,0|1,0,0]=3 7182 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCCF 527a_100015189416_100016990649 [0,2,0,0,0,0|1,0,0]=3 7183 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NCCCO 527a_100000182051_100016990649 [0,2,0,0,0,0|0,0,0]=2 7184 B16R1.1216 C/C(=C\c1ccccc1)/C(=O)NNCCO 22a_100000210001_100016990649 [0,2,0,0,0,0|0,0,0]=2 7185 B16R1.1216 C/C(=C\c1ccccn1)/C(=O)CCCCO 1458a_100025712827_100000210776 [0,2,0,0,0,0|2,0,0]=4 7186 B16R1.1216 C/C(=C\c1ccccn1)/C(=O)NCCC#N 11a_100000720768_100025712827 [0,2,0,0,0,0|2,0,0]=4 7187 B16R1.1216 C/C(=C\c1ccccn1)/C(=O)NCCC#N 1626a_100000720768_100025712827 [0,2,0,0,0,0|2,0,0]=4 7188 B16R1.1216 C/C(=C\c1ccccn1)/C(=O)NCCC#N 527a_100000720768_100025712827 [0,2,0,0,0,0|2,0,0]=4 7189 B16R1.1216 C/C(=C\c1ccccn1)/C(=O)NCCCF 11a_100015189416_100025712827 [0,2,0,0,0,0|2,0,0]=4 7190 B16R1.1216 C/C(=C\c1ccccn1)/C(=O)NCCCF 1626a_100015189416_100025712827 [0,2,0,0,0,0|2,0,0]=4 7191 B16R1.1216 C/C(=C\c1ccccn1)/C(=O)NCCCF 527a_100015189416_100025712827 [0,2,0,0,0,0|2,0,0]=4 7192 B16R1.1216 C/C(=C\c1ccccn1)/C(=O)NCCCO 527a_100000182051_100025712827 [0,2,0,0,0,0|1,0,0]=3 7193 B16R1.1216 C/C(=C\c1ccccn1)/C(=O)NNCCO 22a_100000210001_100025712827 [0,2,0,0,0,0|1,0,0]=3 7194 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCC#N 11a_100000720768_100000066491 [0,2,0,0,0,0|1,0,1]=4 7195 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCC#N 1626a_100000720768_100000066491 [0,2,0,0,0,0|1,0,1]=4 7196 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCC 11a_100000102301_100000066491 [0,2,0,0,0,0|1,0,1]=4 7197 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCC 1626a_100000102301_100000066491 [0,2,0,0,0,0|1,0,1]=4 7198 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCF 11a_100015189416_100000066491 [0,2,0,0,0,0|1,0,1]=4 7199 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCCF 1626a_100015189416_100000066491 [0,2,0,0,0,0|1,0,1]=4 7200 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCOC 1626a_100000209980_100000066491 [0,2,0,0,0,0|0,0,1]=3 7201 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCSC 11a_100020590264_100000066491 [0,2,0,0,0,0|0,1,1]=4 7202 B16R1.1216 C=C(Cc1ccccc1)C(=O)NCCSC 1626a_100020590264_100000066491 [0,2,0,0,0,0|0,1,1]=4 7203 B16R1.1216 C=C(Cc1ccccc1)C(=O)NNCCC 22a_100000740057_100000066491 [0,2,0,0,0,0|1,0,1]=4 7204 B16R1.1216 C=C(Cc1ccccc1)C(=O)NNCCO 22a_100000210001_100000066491 [0,2,0,0,0,0|0,0,1]=3 7205 B16R1.1216 C=CCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000757094 [0,2,0,0,0,0|2,0,0]=4 7206 B16R1.1216 C=CCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000757094 [0,2,0,0,0,0|2,0,0]=4 7207 B16R1.1216 C=CCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000757094 [0,2,0,0,0,0|2,0,0]=4 7208 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/C 11a_100015191253_100016990649 [0,2,0,0,0,0|1,0,0]=3 7209 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100015191253_100016990649 [0,2,0,0,0,0|1,0,0]=3 7210 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/C 527a_100015191253_100016990649 [0,2,0,0,0,0|1,0,0]=3 7211 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100015191253_200020598536 [0,2,0,0,0,0|1,0,0]=3 7212 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100015191253_200020598536 [0,2,0,0,0,0|1,0,0]=3 7213 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100015191253_200020598536 [0,2,0,0,0,0|1,0,0]=3 7214 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100015191253_200020598536 [0,2,0,0,0,0|1,0,0]=3 7215 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccn1)/C 11a_100015191253_100025712827 [0,2,0,0,0,0|2,0,0]=4 7216 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100015191253_100025712827 [0,2,0,0,0,0|2,0,0]=4 7217 B16R1.1216 C=CCCNC(=O)/C(=C/c1ccccn1)/C 527a_100015191253_100025712827 [0,2,0,0,0,0|2,0,0]=4 7218 B16R1.1216 C=CCCNC(=O)/C(=C\c1ccccc1)/F 11a_100015191253_100020889036 [0,2,0,0,0,0|1,0,0]=3 7219 B16R1.1216 C=CCCNC(=O)/C(=C\c1ccccc1)/F 527a_100015191253_100020889036 [0,2,0,0,0,0|1,0,0]=3 7220 B16R1.1216 C=CCCNC(=O)C(=C)Cc1ccccc1 11a_100015191253_100000066491 [0,2,0,0,0,0|1,0,1]=4 7221 B16R1.1216 C=CCCNC(=O)C(=C)Cc1ccccc1 1626a_100015191253_100000066491 [0,2,0,0,0,0|1,0,1]=4 7222 B16R1.1216 C=CCCNC(=O)C(=Cc1cccnc1)F 11a_100015191253_100000731744 [0,2,0,0,0,0|2,0,0]=4 7223 B16R1.1216 C=CCCNC(=O)C(=Cc1cccnc1)F 240690a_100015191253_100000731744 [0,2,0,0,0,0|2,0,0]=4 7224 B16R1.1216 C=CCCNC(=O)C(=Cc1cccnc1)F 527a_100015191253_100000731744 [0,2,0,0,0,0|2,0,0]=4 7225 B16R1.1216 C=CCCNC(=O)C(=O)Nc1ccccc1 240690a_100015191253_100000738435 [0,2,0,0,0,0|2,0,0]=4 7226 B16R1.1216 C=CCNNC(=O)/C(=C/c1ccccc1)/C 22a_100020588587_100016990649 [0,2,0,0,0,0|1,0,1]=4 7227 B16R1.1216 C=CCNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100020588587_200020598536 [0,2,0,0,0,0|1,0,1]=4 7228 B16R1.1216 C=CCNNC(=O)/C(=C\c1ccccc1)/F 22a_100020588587_100020889036 [0,2,0,0,0,0|1,0,1]=4 7229 B16R1.1216 CC#CCNC(=O)/C(=C/c1ccccc1)/C 11a_100000685387_100016990649 [0,2,0,0,0,0|1,0,1]=4 7230 B16R1.1216 CC#CCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000685387_100016990649 [0,2,0,0,0,0|1,0,1]=4 7231 B16R1.1216 CC#CCNC(=O)/C(=C/c1ccccc1)/C 527a_100000685387_100016990649 [0,2,0,0,0,0|1,0,1]=4 7232 B16R1.1216 CC#CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000685387_200020598536 [0,2,0,0,0,0|1,0,1]=4 7233 B16R1.1216 CC#CCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000685387_200020598536 [0,2,0,0,0,0|1,0,1]=4 7234 B16R1.1216 CC#CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000685387_200020598536 [0,2,0,0,0,0|1,0,1]=4 7235 B16R1.1216 CC#CCNC(=O)/C(=C\c1ccccc1)/F 11a_100000685387_100020889036 [0,2,0,0,0,0|1,0,1]=4 7236 B16R1.1216 CC#CCNC(=O)/C(=C\c1ccccc1)/F 527a_100000685387_100020889036 [0,2,0,0,0,0|1,0,1]=4 7237 B16R1.1216 CC(Cc1ccccc1)C(=O)NCCCO 240690a_100000182051_100000754839 [0,2,0,0,0,0|0,0,2]=4 7238 B16R1.1216 CC(Cc1ccccc1)C(=O)NCCCO 527a_100000182051_100000754839 [0,2,0,0,0,0|0,0,2]=4 7239 B16R1.1216 CC(Cc1ccccc1)C(=O)NNCCO 22a_100000210001_100000754839 [0,2,0,0,0,0|0,0,2]=4 7240 B16R1.1216 CC(Oc1ccccc1)C(=O)NCCCO 240690a_100000182051_100000188414 [0,2,0,0,0,0|1,0,1]=4 7241 B16R1.1216 CC(Oc1ccccc1)C(=O)NCCCO 527a_100000182051_100000188414 [0,2,0,0,0,0|1,0,1]=4 7242 B16R1.1216 CC(Oc1ccccc1)C(=O)NNCCO 22a_100000210001_100000188414 [0,2,0,0,0,0|1,0,1]=4 7243 B16R1.1216 CC(Sc1ccccc1)C(=O)NCCCO 240690a_100000182051_100000199063 [0,2,0,0,0,0|1,0,1]=4 7244 B16R1.1216 CC(Sc1ccccc1)C(=O)NCCCO 527a_100000182051_100000199063 [0,2,0,0,0,0|1,0,1]=4 7245 B16R1.1216 CC(Sc1ccccc1)C(=O)NNCCO 22a_100000210001_100000199063 [0,2,0,0,0,0|1,0,1]=4 7246 B16R1.1216 CCCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210326 [0,2,0,0,0,0|2,0,0]=4 7247 B16R1.1216 CCCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210326 [0,2,0,0,0,0|2,0,0]=4 7248 B16R1.1216 CCCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210326 [0,2,0,0,0,0|2,0,0]=4 7249 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/C 11a_100000102301_100016990649 [0,2,0,0,0,0|1,0,0]=3 7250 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000102301_100016990649 [0,2,0,0,0,0|1,0,0]=3 7251 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/C 527a_100000102301_100016990649 [0,2,0,0,0,0|1,0,0]=3 7252 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000102301_200020598536 [0,2,0,0,0,0|1,0,0]=3 7253 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000102301_200020598536 [0,2,0,0,0,0|1,0,0]=3 7254 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000102301_200020598536 [0,2,0,0,0,0|1,0,0]=3 7255 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000102301_200020598536 [0,2,0,0,0,0|1,0,0]=3 7256 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccn1)/C 11a_100000102301_100025712827 [0,2,0,0,0,0|2,0,0]=4 7257 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100000102301_100025712827 [0,2,0,0,0,0|2,0,0]=4 7258 B16R1.1216 CCCCNC(=O)/C(=C/c1ccccn1)/C 527a_100000102301_100025712827 [0,2,0,0,0,0|2,0,0]=4 7259 B16R1.1216 CCCCNC(=O)/C(=C\c1ccccc1)/F 11a_100000102301_100020889036 [0,2,0,0,0,0|1,0,0]=3 7260 B16R1.1216 CCCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000102301_100020889036 [0,2,0,0,0,0|1,0,0]=3 7261 B16R1.1216 CCCCNC(=O)C(=Cc1cccnc1)F 11a_100000102301_100000731744 [0,2,0,0,0,0|2,0,0]=4 7262 B16R1.1216 CCCCNC(=O)C(=Cc1cccnc1)F 240690a_100000102301_100000731744 [0,2,0,0,0,0|2,0,0]=4 7263 B16R1.1216 CCCCNC(=O)C(=Cc1cccnc1)F 527a_100000102301_100000731744 [0,2,0,0,0,0|2,0,0]=4 7264 B16R1.1216 CCCCNC(=O)C(=O)Nc1ccccc1 240690a_100000102301_100000738435 [0,2,0,0,0,0|2,0,0]=4 7265 B16R1.1216 CCCNNC(=O)/C(=C/c1ccccc1)/C 22a_100000740057_100016990649 [0,2,0,0,0,0|1,0,0]=3 7266 B16R1.1216 CCCNNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000740057_200020598536 [0,2,0,0,0,0|1,0,0]=3 7267 B16R1.1216 CCCNNC(=O)/C(=C/c1ccccn1)/C 22a_100000740057_100025712827 [0,2,0,0,0,0|2,0,0]=4 7268 B16R1.1216 CCCNNC(=O)/C(=C\c1ccccc1)/F 22a_100000740057_100020889036 [0,2,0,0,0,0|1,0,0]=3 7269 B16R1.1216 CCCNNC(=O)C(=Cc1cccnc1)F 22a_100000740057_100000731744 [0,2,0,0,0,0|2,0,0]=4 7270 B16R1.1216 CCCNNC(=O)C(=O)Nc1ccccc1 22a_100000740057_100000738435 [0,2,0,0,0,0|2,0,0]=4 7271 B16R1.1216 CCOCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100011215890 [0,2,0,0,0,0|2,0,0]=4 7272 B16R1.1216 CCOCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011215890 [0,2,0,0,0,0|2,0,0]=4 7273 B16R1.1216 CCOCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011215890 [0,2,0,0,0,0|2,0,0]=4 7274 B16R1.1216 CCSCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000757381 [0,2,0,0,0,0|2,0,0]=4 7275 B16R1.1216 CCSCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000757381 [0,2,0,0,0,0|2,0,0]=4 7276 B16R1.1216 CCSCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000757381 [0,2,0,0,0,0|2,0,0]=4 7277 B16R1.1216 CN(Cc1ccccc1)C(=O)CNCCO 2230a_100016997473_100000182870 [0,2,0,0,0,0|1,0,1]=4 7278 B16R1.1216 CN(Cc1ccccc1)C(=O)CNCCO 34a_100016990907_100000182870 [0,2,0,0,0,0|1,0,1]=4 7279 B16R1.1216 CN(Cc1ccccc1)C(=O)NCCCO 273464a_100000182051_100000186898 [0,2,0,0,0,0|1,0,1]=4 7280 B16R1.1216 COCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000740836 [0,2,0,0,0,0|1,0,0]=3 7281 B16R1.1216 COCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000740836 [0,2,0,0,0,0|1,0,0]=3 7282 B16R1.1216 COCCCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000740836 [0,2,0,0,0,0|2,0,0]=4 7283 B16R1.1216 COCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000740836 [0,2,0,0,0,0|1,0,0]=3 7284 B16R1.1216 COCCCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000740836 [0,2,0,0,0,0|2,0,0]=4 7285 B16R1.1216 COCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000740836 [0,2,0,0,0,0|2,0,0]=4 7286 B16R1.1216 COCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100000209980_100016990649 [0,2,0,0,0,0|0,0,0]=2 7287 B16R1.1216 COCCNC(=O)/C(=C/c1ccccc1)/C 527a_100000209980_100016990649 [0,2,0,0,0,0|0,0,0]=2 7288 B16R1.1216 COCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000209980_200020598536 [0,2,0,0,0,0|0,0,0]=2 7289 B16R1.1216 COCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000209980_200020598536 [0,2,0,0,0,0|0,0,0]=2 7290 B16R1.1216 COCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000209980_200020598536 [0,2,0,0,0,0|0,0,0]=2 7291 B16R1.1216 COCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100000209980_100025712827 [0,2,0,0,0,0|1,0,0]=3 7292 B16R1.1216 COCCNC(=O)/C(=C/c1ccccn1)/C 527a_100000209980_100025712827 [0,2,0,0,0,0|1,0,0]=3 7293 B16R1.1216 COCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000209980_100020889036 [0,2,0,0,0,0|0,0,0]=2 7294 B16R1.1216 COCCNC(=O)C(=Cc1cccnc1)F 240690a_100000209980_100000731744 [0,2,0,0,0,0|1,0,0]=3 7295 B16R1.1216 COCCNC(=O)C(=Cc1cccnc1)F 527a_100000209980_100000731744 [0,2,0,0,0,0|1,0,0]=3 7296 B16R1.1216 COCCNC(=O)C(=O)Nc1ccccc1 240690a_100000209980_100000738435 [0,2,0,0,0,0|1,0,0]=3 7297 B16R1.1216 COCCNC(=O)C(C)Cc1ccccc1 1626a_100000209980_100000754839 [0,2,0,0,0,0|0,0,2]=4 7298 B16R1.1216 COCCNC(=O)C(C)Cc1ccccc1 240690a_100000209980_100000754839 [0,2,0,0,0,0|0,0,2]=4 7299 B16R1.1216 COCCNC(=O)C(C)Cc1ccccc1 527a_100000209980_100000754839 [0,2,0,0,0,0|0,0,2]=4 7300 B16R1.1216 COCCNC(=O)C(C)Oc1ccccc1 1626a_100000209980_100000188414 [0,2,0,0,0,0|1,0,1]=4 7301 B16R1.1216 COCCNC(=O)C(C)Oc1ccccc1 240690a_100000209980_100000188414 [0,2,0,0,0,0|1,0,1]=4 7302 B16R1.1216 COCCNC(=O)C(C)Oc1ccccc1 527a_100000209980_100000188414 [0,2,0,0,0,0|1,0,1]=4 7303 B16R1.1216 COCCNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000230274 [0,2,0,0,0,0|1,0,1]=4 7304 B16R1.1216 COCCNC(=O)C(C)Sc1ccccc1 1626a_100000209980_100000199063 [0,2,0,0,0,0|1,0,1]=4 7305 B16R1.1216 COCCNC(=O)C(C)Sc1ccccc1 240690a_100000209980_100000199063 [0,2,0,0,0,0|1,0,1]=4 7306 B16R1.1216 COCCNC(=O)C(C)Sc1ccccc1 527a_100000209980_100000199063 [0,2,0,0,0,0|1,0,1]=4 7307 B16R1.1216 COCCNC(=O)C(C)Sc1ccccc1 62a_100000230274_100000041952 [0,2,0,0,0,0|1,0,1]=4 7308 B16R1.1216 COCCNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000230274 [0,2,0,0,0,0|1,0,1]=4 7309 B16R1.1216 COCCNC(=O)N(C)Cc1ccccc1 273464a_100000209980_100000186898 [0,2,0,0,0,0|1,0,1]=4 7310 B16R1.1216 COCCNC(=O)[C@H](O)Cc1ccccc1 240690a_100000209980_100009816399 [0,2,0,0,0,0|0,0,2]=4 7311 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/C 11a_100020590264_100016990649 [0,2,0,0,0,0|0,1,0]=3 7312 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/C 1626a_100020590264_100016990649 [0,2,0,0,0,0|0,1,0]=3 7313 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/C 527a_100020590264_100016990649 [0,2,0,0,0,0|0,1,0]=3 7314 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100020590264_200020598536 [0,2,0,0,0,0|0,1,0]=3 7315 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100020590264_200020598536 [0,2,0,0,0,0|0,1,0]=3 7316 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100020590264_200020598536 [0,2,0,0,0,0|0,1,0]=3 7317 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100020590264_200020598536 [0,2,0,0,0,0|0,1,0]=3 7318 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccn1)/C 11a_100020590264_100025712827 [0,2,0,0,0,0|1,1,0]=4 7319 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccn1)/C 1626a_100020590264_100025712827 [0,2,0,0,0,0|1,1,0]=4 7320 B16R1.1216 CSCCNC(=O)/C(=C/c1ccccn1)/C 527a_100020590264_100025712827 [0,2,0,0,0,0|1,1,0]=4 7321 B16R1.1216 CSCCNC(=O)/C(=C\c1ccccc1)/F 11a_100020590264_100020889036 [0,2,0,0,0,0|0,1,0]=3 7322 B16R1.1216 CSCCNC(=O)/C(=C\c1ccccc1)/F 527a_100020590264_100020889036 [0,2,0,0,0,0|0,1,0]=3 7323 B16R1.1216 CSCCNC(=O)C(=Cc1cccnc1)F 11a_100020590264_100000731744 [0,2,0,0,0,0|1,1,0]=4 7324 B16R1.1216 CSCCNC(=O)C(=Cc1cccnc1)F 240690a_100020590264_100000731744 [0,2,0,0,0,0|1,1,0]=4 7325 B16R1.1216 CSCCNC(=O)C(=Cc1cccnc1)F 527a_100020590264_100000731744 [0,2,0,0,0,0|1,1,0]=4 7326 B16R1.1216 CSCCNC(=O)C(=O)Nc1ccccc1 240690a_100020590264_100000738435 [0,2,0,0,0,0|1,1,0]=4 7327 B16R1.1216 N#CCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000211468 [0,2,0,0,0,0|2,0,0]=4 7328 B16R1.1216 N#CCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000211468 [0,2,0,0,0,0|2,0,0]=4 7329 B16R1.1216 N#CCCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000720768_200020598536 [0,2,0,0,0,0|1,0,0]=3 7330 B16R1.1216 N#CCCNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000720768_200020598536 [0,2,0,0,0,0|1,0,0]=3 7331 B16R1.1216 N#CCCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000720768_200020598536 [0,2,0,0,0,0|1,0,0]=3 7332 B16R1.1216 N#CCCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000720768_200020598536 [0,2,0,0,0,0|1,0,0]=3 7333 B16R1.1216 N#CCCNC(=O)/C(=C\c1ccccc1)/F 11a_100000720768_100020889036 [0,2,0,0,0,0|1,0,0]=3 7334 B16R1.1216 N#CCCNC(=O)/C(=C\c1ccccc1)/F 527a_100000720768_100020889036 [0,2,0,0,0,0|1,0,0]=3 7335 B16R1.1216 N#CCCNC(=O)C(=Cc1cccnc1)F 11a_100000720768_100000731744 [0,2,0,0,0,0|2,0,0]=4 7336 B16R1.1216 N#CCCNC(=O)C(=Cc1cccnc1)F 240690a_100000720768_100000731744 [0,2,0,0,0,0|2,0,0]=4 7337 B16R1.1216 N#CCCNC(=O)C(=Cc1cccnc1)F 527a_100000720768_100000731744 [0,2,0,0,0,0|2,0,0]=4 7338 B16R1.1216 N#CCCNC(=O)C(=O)Nc1ccccc1 240690a_100000720768_100000738435 [0,2,0,0,0,0|2,0,0]=4 7339 B16R1.1216 O=C(CC#CCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000047223 [0,2,0,0,0,0|1,0,1]=4 7340 B16R1.1216 O=C(CC#CCO)/C(=C\c1ccccc1)/F 1458a_100020889036_200000047223 [0,2,0,0,0,0|1,0,1]=4 7341 B16R1.1216 O=C(CCCCF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000729493 [0,2,0,0,0,0|2,0,0]=4 7342 B16R1.1216 O=C(CCCCF)/C(=C\c1ccccc1)/F 1458a_100020889036_100000729493 [0,2,0,0,0,0|2,0,0]=4 7343 B16R1.1216 O=C(CCCCO)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210776 [0,2,0,0,0,0|1,0,0]=3 7344 B16R1.1216 O=C(CCCCO)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210776 [0,2,0,0,0,0|1,0,0]=3 7345 B16R1.1216 O=C(CCCCO)C(=Cc1cccnc1)F 1458a_100000731744_100000210776 [0,2,0,0,0,0|2,0,0]=4 7346 B16R1.1216 O=C(CCCCO)C(=O)Nc1ccccc1 1458a_100000738435_100000210776 [0,2,0,0,0,0|2,0,0]=4 7347 B16R1.1216 O=C(NCCCF)/C(=C/c1ccccc1)/Cl 11a_100015189416_200020598536 [0,2,0,0,0,0|1,0,0]=3 7348 B16R1.1216 O=C(NCCCF)/C(=C/c1ccccc1)/Cl 1626a_100015189416_200020598536 [0,2,0,0,0,0|1,0,0]=3 7349 B16R1.1216 O=C(NCCCF)/C(=C/c1ccccc1)/Cl 240690a_100015189416_200020598536 [0,2,0,0,0,0|1,0,0]=3 7350 B16R1.1216 O=C(NCCCF)/C(=C/c1ccccc1)/Cl 527a_100015189416_200020598536 [0,2,0,0,0,0|1,0,0]=3 7351 B16R1.1216 O=C(NCCCF)/C(=C\c1ccccc1)/F 11a_100015189416_100020889036 [0,2,0,0,0,0|1,0,0]=3 7352 B16R1.1216 O=C(NCCCF)/C(=C\c1ccccc1)/F 527a_100015189416_100020889036 [0,2,0,0,0,0|1,0,0]=3 7353 B16R1.1216 O=C(NCCCF)C(=Cc1cccnc1)F 11a_100015189416_100000731744 [0,2,0,0,0,0|2,0,0]=4 7354 B16R1.1216 O=C(NCCCF)C(=Cc1cccnc1)F 240690a_100015189416_100000731744 [0,2,0,0,0,0|2,0,0]=4 7355 B16R1.1216 O=C(NCCCF)C(=Cc1cccnc1)F 527a_100015189416_100000731744 [0,2,0,0,0,0|2,0,0]=4 7356 B16R1.1216 O=C(NCCCF)C(=O)Nc1ccccc1 240690a_100015189416_100000738435 [0,2,0,0,0,0|2,0,0]=4 7357 B16R1.1216 O=C(NCCCO)/C(=C/c1ccccc1)/Cl 240690a_100000182051_200020598536 [0,2,0,0,0,0|0,0,0]=2 7358 B16R1.1216 O=C(NCCCO)/C(=C/c1ccccc1)/Cl 527a_100000182051_200020598536 [0,2,0,0,0,0|0,0,0]=2 7359 B16R1.1216 O=C(NCCCO)/C(=C\c1ccccc1)/F 527a_100000182051_100020889036 [0,2,0,0,0,0|0,0,0]=2 7360 B16R1.1216 O=C(NCCCO)C(=Cc1cccnc1)F 240690a_100000182051_100000731744 [0,2,0,0,0,0|1,0,0]=3 7361 B16R1.1216 O=C(NCCCO)C(=Cc1cccnc1)F 527a_100000182051_100000731744 [0,2,0,0,0,0|1,0,0]=3 7362 B16R1.1216 O=C(NCCCO)C(=O)Nc1ccccc1 240690a_100000182051_100000738435 [0,2,0,0,0,0|1,0,0]=3 7363 B16R1.1216 O=C(NCCCO)[C@H](O)Cc1ccccc1 240690a_100000182051_100009816399 [0,2,0,0,0,0|0,0,2]=4 7364 B16R1.1216 O=C(NNCCO)/C(=C/c1ccccc1)/Cl 22a_100000210001_200020598536 [0,2,0,0,0,0|0,0,0]=2 7365 B16R1.1216 O=C(NNCCO)/C(=C\c1ccccc1)/F 22a_100000210001_100020889036 [0,2,0,0,0,0|0,0,0]=2 7366 B16R1.1216 O=C(NNCCO)C(=Cc1cccnc1)F 22a_100000210001_100000731744 [0,2,0,0,0,0|1,0,0]=3 7367 B16R1.1216 O=C(NNCCO)C(=O)Nc1ccccc1 22a_100000210001_100000738435 [0,2,0,0,0,0|1,0,0]=3 7368 B16R1.1216 O=C(NNCCO)[C@H](O)Cc1ccccc1 22a_100000210001_100009816399 [0,2,0,0,0,0|0,0,2]=4 7369 B16R1.1343 CC(CNC(=O)OCc1ccccc1)O[13CH3] 34a_200011240566_200025704644 [0,2,0,0,0,0|1,0,1]=4 7370 B16R1.1343 CC(CNC(=O)OCc1ccccc1)O[13CH3] 7a_200011240566_200025704644 [0,2,0,0,0,0|1,0,1]=4 7371 B16R1.1343 CC(CO)CNC(=O)C#Cc1ccccc1 240690a_100000744482_100000736102 [0,2,0,0,0,0|0,0,2]=4 7372 B16R1.1343 CC(CO)CNC(=O)C=Cc1ccccn1 240690a_100000744482_100000740811 [0,2,0,0,0,0|1,0,0]=3 7373 B16R1.1343 CC(CO)CNC(=O)C=Cc1cccnc1 240690a_100000744482_100000735890 [0,2,0,0,0,0|1,0,0]=3 7374 B16R1.1343 CC(CO)CNC(=O)C=Cc1ccncc1 240690a_100000744482_100000682801 [0,2,0,0,0,0|1,0,0]=3 7375 B16R1.1343 CC(CO)CNC(=O)CCc1ccccc1 240690a_100000744482_100000185753 [0,2,0,0,0,0|0,0,2]=4 7376 B16R1.1343 CC(CO)CNC(=O)CCc1ccccc1 527a_100000744482_100000185753 [0,2,0,0,0,0|0,0,2]=4 7377 B16R1.1343 CC(CO)CNC(=O)COc1ccccc1 240690a_100000744482_100000186222 [0,2,0,0,0,0|1,0,1]=4 7378 B16R1.1343 CC(CO)CNC(=O)COc1ccccc1 527a_100000744482_100000186222 [0,2,0,0,0,0|1,0,1]=4 7379 B16R1.1343 CC(CO)CNC(=O)CSc1ccccc1 240690a_100000744482_100000211596 [0,2,0,0,0,0|1,0,1]=4 7380 B16R1.1343 CC(CO)CNC(=O)CSc1ccccc1 527a_100000744482_100000211596 [0,2,0,0,0,0|1,0,1]=4 7381 B16R1.1343 CC(CO)CNC(=O)NCc1ccccc1 2708a_100015324214_100000744482 [0,2,0,0,0,0|1,0,1]=4 7382 B16R1.1343 CC(CO)CNC(=O)NCc1ccccc1 273464a_100000744482_100015324214 [0,2,0,0,0,0|1,0,1]=4 7383 B16R1.1343 CC(CO)CNC(=O)NCc1ccccc1 273464a_100015324214_100000744482 [0,2,0,0,0,0|1,0,1]=4 7384 B16R1.1343 CC(CO)CNC(=O)NCc1ccccc1 512a_100000744482_100015324214 [0,2,0,0,0,0|1,0,1]=4 7385 B16R1.1343 CC(CO)CNC(=O)NCc1ccccc1 512a_100015324214_100000744482 [0,2,0,0,0,0|1,0,1]=4 7386 B16R1.1343 CC(CO)CNC(=O)NNc1ccccc1 273464a_100000744482_100015195140 [0,2,0,0,0,0|2,0,0]=4 7387 B16R1.1343 CC(CO)CNC(=O)NNc1ccccc1 512a_100000744482_100015195140 [0,2,0,0,0,0|2,0,0]=4 7388 B16R1.1343 CC(CO)NCC(=O)NCc1ccccc1 2230a_100000739245_100012180447 [0,2,0,0,0,0|1,0,1]=4 7389 B16R1.1343 CCC(=O)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100000210202 [0,2,0,0,0,0|1,0,0]=3 7390 B16R1.1343 CCC(=O)NNC(=O)C=Cc1ccccc1 22a_100000183195_100000210462 [0,2,0,0,0,0|1,0,1]=4 7391 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccc1 11a_100020588543_100000210462 [0,2,0,0,0,0|1,0,0]=3 7392 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccc1 1626a_100020588543_100000210462 [0,2,0,0,0,0|1,0,0]=3 7393 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccn1 11a_100020588543_100000740811 [0,2,0,0,0,0|2,0,0]=4 7394 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccccn1 240690a_100020588543_100000740811 [0,2,0,0,0,0|2,0,0]=4 7395 B16R1.1343 CCC(C)CNC(=O)C=Cc1cccnc1 11a_100020588543_100000735890 [0,2,0,0,0,0|2,0,0]=4 7396 B16R1.1343 CCC(C)CNC(=O)C=Cc1cccnc1 240690a_100020588543_100000735890 [0,2,0,0,0,0|2,0,0]=4 7397 B16R1.1343 CCC(C)CNC(=O)C=Cc1ccncc1 240690a_100020588543_100000682801 [0,2,0,0,0,0|2,0,0]=4 7398 B16R1.1343 CCC(C)NN=C(C)C=Cc1ccccc1 4a_100000718999_100000204604 [0,2,0,0,0,0|2,0,0]=4 7399 B16R1.1343 CCC(C)NNC(=O)C=Cc1ccccc1 22a_100000718999_100000210462 [0,2,0,0,0,0|1,0,0]=3 7400 B16R1.1343 CCC(C)NNC(=O)C=Cc1ccccn1 22a_100000718999_100000740811 [0,2,0,0,0,0|2,0,0]=4 7401 B16R1.1343 CCC(C)NNC(=O)C=Cc1cccnc1 22a_100000718999_100000735890 [0,2,0,0,0,0|2,0,0]=4 7402 B16R1.1343 CCC(C)NNC(=O)C=Cc1ccncc1 22a_100000718999_100000682801 [0,2,0,0,0,0|2,0,0]=4 7403 B16R1.1343 CCC(O)CNC(=O)C#Cc1ccccc1 240690a_100011218483_100000736102 [0,2,0,0,0,0|0,0,2]=4 7404 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccccc1 11a_100011218483_100000210462 [0,2,0,0,0,0|0,0,0]=2 7405 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccccn1 11a_100011218483_100000740811 [0,2,0,0,0,0|1,0,0]=3 7406 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccccn1 240690a_100011218483_100000740811 [0,2,0,0,0,0|1,0,0]=3 7407 B16R1.1343 CCC(O)CNC(=O)C=Cc1cccnc1 11a_100011218483_100000735890 [0,2,0,0,0,0|1,0,0]=3 7408 B16R1.1343 CCC(O)CNC(=O)C=Cc1cccnc1 240690a_100011218483_100000735890 [0,2,0,0,0,0|1,0,0]=3 7409 B16R1.1343 CCC(O)CNC(=O)C=Cc1ccncc1 240690a_100011218483_100000682801 [0,2,0,0,0,0|1,0,0]=3 7410 B16R1.1343 CCC(O)CNC(=O)CCc1ccccc1 11a_100011218483_100000185753 [0,2,0,0,0,0|0,0,2]=4 7411 B16R1.1343 CCC(O)CNC(=O)CCc1ccccc1 240690a_100011218483_100000185753 [0,2,0,0,0,0|0,0,2]=4 7412 B16R1.1343 CCC(O)CNC(=O)CCc1ccccc1 527a_100011218483_100000185753 [0,2,0,0,0,0|0,0,2]=4 7413 B16R1.1343 CCC(O)CNC(=O)COc1ccccc1 11a_100011218483_100000186222 [0,2,0,0,0,0|1,0,1]=4 7414 B16R1.1343 CCC(O)CNC(=O)COc1ccccc1 240690a_100011218483_100000186222 [0,2,0,0,0,0|1,0,1]=4 7415 B16R1.1343 CCC(O)CNC(=O)COc1ccccc1 527a_100011218483_100000186222 [0,2,0,0,0,0|1,0,1]=4 7416 B16R1.1343 CCC(O)CNC(=O)CSc1ccccc1 11a_100011218483_100000211596 [0,2,0,0,0,0|1,0,1]=4 7417 B16R1.1343 CCC(O)CNC(=O)CSc1ccccc1 240690a_100011218483_100000211596 [0,2,0,0,0,0|1,0,1]=4 7418 B16R1.1343 CCC(O)CNC(=O)CSc1ccccc1 527a_100011218483_100000211596 [0,2,0,0,0,0|1,0,1]=4 7419 B16R1.1343 CCC(O)CNC(=O)NCc1ccccc1 2708a_100015324214_100011218483 [0,2,0,0,0,0|1,0,1]=4 7420 B16R1.1343 CCC(O)CNC(=O)NCc1ccccc1 273464a_100011218483_100015324214 [0,2,0,0,0,0|1,0,1]=4 7421 B16R1.1343 CCC(O)CNC(=O)NCc1ccccc1 273464a_100015324214_100011218483 [0,2,0,0,0,0|1,0,1]=4 7422 B16R1.1343 CCC(O)CNC(=O)NCc1ccccc1 512a_100011218483_100015324214 [0,2,0,0,0,0|1,0,1]=4 7423 B16R1.1343 CCC(O)CNC(=O)NNc1ccccc1 273464a_100011218483_100015195140 [0,2,0,0,0,0|2,0,0]=4 7424 B16R1.1343 CCC(O)CNC(=O)NNc1ccccc1 512a_100011218483_100015195140 [0,2,0,0,0,0|2,0,0]=4 7425 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 11a_106832991635_100000183125 [0,2,0,0,0,0|0,0,2]=4 7426 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 240690a_100102657272_100000183125 [0,2,0,0,0,0|0,0,2]=4 7427 B16R1.1343 CNC(=O)CNC(=O)/C=C/c1ccccc1 527a_100102657272_100000183125 [0,2,0,0,0,0|0,0,2]=4 7428 B16R1.1343 CNC(=O)CNC(=O)C=Cc1ccccc1 11a_100000693194_100000210462 [0,2,0,0,0,0|0,0,2]=4 7429 B16R1.1343 COC(=O)CNC(=O)C=Cc1ccccc1 188690a_100000185156_100000210462 [0,2,0,0,0,0|0,0,1]=3 7430 B16R1.1343 COC(=O)CNC(=O)C=Cc1ccccn1 188690a_100000185156_100000740811 [0,2,0,0,0,0|1,0,1]=4 7431 B16R1.1343 COC(=O)CNC(=O)C=Cc1cccnc1 188690a_100000185156_100000735890 [0,2,0,0,0,0|1,0,1]=4 7432 B16R1.1343 COC(=O)CNC(=O)C=Cc1ccncc1 188690a_100000185156_100000682801 [0,2,0,0,0,0|1,0,1]=4 7433 B16R1.1343 COC(C)CNC(=O)OCc1ccccc1 34a_200011240566_200000210301 [0,2,0,0,0,0|1,0,1]=4 7434 B16R1.1343 COC(C)CNC(=O)OCc1ccccc1 7a_200011240566_200000210301 [0,2,0,0,0,0|1,0,1]=4 7435 B16R1.1343 CO[C@H](C)CNC(=O)C#Cc1ccccc1 240690a_100020591295_100000736102 [0,2,0,0,0,0|0,0,2]=4 7436 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccc1 11a_100020591295_100000210462 [0,2,0,0,0,0|0,0,0]=2 7437 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccc1 1626a_100020591295_100000210462 [0,2,0,0,0,0|0,0,0]=2 7438 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccn1 11a_100020591295_100000740811 [0,2,0,0,0,0|1,0,0]=3 7439 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccccn1 240690a_100020591295_100000740811 [0,2,0,0,0,0|1,0,0]=3 7440 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1cccnc1 11a_100020591295_100000735890 [0,2,0,0,0,0|1,0,0]=3 7441 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1cccnc1 240690a_100020591295_100000735890 [0,2,0,0,0,0|1,0,0]=3 7442 B16R1.1343 CO[C@H](C)CNC(=O)C=Cc1ccncc1 240690a_100020591295_100000682801 [0,2,0,0,0,0|1,0,0]=3 7443 B16R1.1343 CO[C@H](C)CNC(=O)CCc1ccccc1 11a_100020591295_100000185753 [0,2,0,0,0,0|0,0,2]=4 7444 B16R1.1343 CO[C@H](C)CNC(=O)CCc1ccccc1 1626a_100020591295_100000185753 [0,2,0,0,0,0|0,0,2]=4 7445 B16R1.1343 CO[C@H](C)CNC(=O)CCc1ccccc1 240690a_100020591295_100000185753 [0,2,0,0,0,0|0,0,2]=4 7446 B16R1.1343 CO[C@H](C)CNC(=O)CCc1ccccc1 527a_100020591295_100000185753 [0,2,0,0,0,0|0,0,2]=4 7447 B16R1.1343 CO[C@H](C)CNC(=O)COc1ccccc1 11a_100020591295_100000186222 [0,2,0,0,0,0|1,0,1]=4 7448 B16R1.1343 CO[C@H](C)CNC(=O)COc1ccccc1 1626a_100020591295_100000186222 [0,2,0,0,0,0|1,0,1]=4 7449 B16R1.1343 CO[C@H](C)CNC(=O)COc1ccccc1 240690a_100020591295_100000186222 [0,2,0,0,0,0|1,0,1]=4 7450 B16R1.1343 CO[C@H](C)CNC(=O)COc1ccccc1 527a_100020591295_100000186222 [0,2,0,0,0,0|1,0,1]=4 7451 B16R1.1343 CO[C@H](C)CNC(=O)CSc1ccccc1 11a_100020591295_100000211596 [0,2,0,0,0,0|1,0,1]=4 7452 B16R1.1343 CO[C@H](C)CNC(=O)CSc1ccccc1 1626a_100020591295_100000211596 [0,2,0,0,0,0|1,0,1]=4 7453 B16R1.1343 CO[C@H](C)CNC(=O)CSc1ccccc1 240690a_100020591295_100000211596 [0,2,0,0,0,0|1,0,1]=4 7454 B16R1.1343 CO[C@H](C)CNC(=O)CSc1ccccc1 527a_100020591295_100000211596 [0,2,0,0,0,0|1,0,1]=4 7455 B16R1.1343 CO[C@H](C)CNC(=O)NCc1ccccc1 2708a_100015324214_100020591295 [0,2,0,0,0,0|1,0,1]=4 7456 B16R1.1343 CO[C@H](C)CNC(=O)NCc1ccccc1 2708a_100020591295_100015324214 [0,2,0,0,0,0|1,0,1]=4 7457 B16R1.1343 CO[C@H](C)CNC(=O)NCc1ccccc1 273464a_100015324214_100020591295 [0,2,0,0,0,0|1,0,1]=4 7458 B16R1.1343 CO[C@H](C)CNC(=O)NCc1ccccc1 273464a_100020591295_100015324214 [0,2,0,0,0,0|1,0,1]=4 7459 B16R1.1343 CO[C@H](C)CNC(=O)NCc1ccccc1 512a_100015324214_100020591295 [0,2,0,0,0,0|1,0,1]=4 7460 B16R1.1343 CO[C@H](C)CNC(=O)NCc1ccccc1 512a_100020591295_100015324214 [0,2,0,0,0,0|1,0,1]=4 7461 B16R1.1343 CO[C@H](C)CNC(=O)NNc1ccccc1 273464a_100020591295_100015195140 [0,2,0,0,0,0|2,0,0]=4 7462 B16R1.1343 CO[C@H](C)CNC(=O)NNc1ccccc1 512a_100020591295_100015195140 [0,2,0,0,0,0|2,0,0]=4 7463 B16R1.1343 C[C@H](CO)NCC(=O)CCc1ccccc1 2230a_100000737577_100012361361 [0,2,0,0,0,0|0,0,2]=4 7464 B16R1.1343 C[C@H](CO)NCC(=O)NCc1ccccc1 2230a_100000737577_100000183539 [0,2,0,0,0,0|1,0,1]=4 7465 B16R1.1343 C[C@H](CO)NCC(=O)OCc1ccccc1 2230a_100000737577_100000753625 [0,2,0,0,0,0|1,0,1]=4 7466 B16R1.1343 O=C(C#Cc1ccccc1)NC[C@@H](F)CO 240690a_100015665980_100000736102 [0,2,0,0,0,0|0,0,2]=4 7467 B16R1.1343 O=C(C#Cc1ccccc1)NC[C@H](O)CO 240690a_100020644852_100000736102 [0,2,0,0,0,0|0,0,2]=4 7468 B16R1.1343 O=C(C=Cc1ccccn1)NC[C@@H](F)CO 240690a_100015665980_100000740811 [0,2,0,0,0,0|1,0,0]=3 7469 B16R1.1343 O=C(C=Cc1ccccn1)NC[C@H](O)CO 240690a_100020644852_100000740811 [0,2,0,0,0,0|1,0,0]=3 7470 B16R1.1343 O=C(C=Cc1cccnc1)NC[C@@H](F)CO 240690a_100015665980_100000735890 [0,2,0,0,0,0|1,0,0]=3 7471 B16R1.1343 O=C(C=Cc1cccnc1)NC[C@H](O)CO 240690a_100020644852_100000735890 [0,2,0,0,0,0|1,0,0]=3 7472 B16R1.1343 O=C(C=Cc1ccncc1)NC[C@@H](F)CO 240690a_100015665980_100000682801 [0,2,0,0,0,0|1,0,0]=3 7473 B16R1.1343 O=C(C=Cc1ccncc1)NC[C@H](O)CO 240690a_100020644852_100000682801 [0,2,0,0,0,0|1,0,0]=3 7474 B16R1.1343 O=C(CCc1ccccc1)NC[C@@H](F)CO 240690a_100015665980_100000185753 [0,2,0,0,0,0|0,0,2]=4 7475 B16R1.1343 O=C(CCc1ccccc1)NC[C@@H](F)CO 527a_100015665980_100000185753 [0,2,0,0,0,0|0,0,2]=4 7476 B16R1.1343 O=C(CCc1ccccc1)NC[C@H](O)CO 240690a_100020644852_100000185753 [0,2,0,0,0,0|0,0,2]=4 7477 B16R1.1343 O=C(CCc1ccccc1)NC[C@H](O)CO 527a_100020644852_100000185753 [0,2,0,0,0,0|0,0,2]=4 7478 B16R1.1343 O=C(CF)CNC(=O)/C=C/c1ccccc1 1458a_100000183125_100015361967 [0,2,0,0,0,0|1,0,0]=3 7479 B16R1.1343 O=C(CNc1ccccc1)NCC(O)CO 34a_100000106764_200012027429 [0,2,0,0,0,0|1,0,1]=4 7480 B16R1.1343 O=C(COc1ccccc1)NCC(O)CO 34a_100000210340_200012027429 [0,2,0,0,0,0|1,0,1]=4 7481 B16R1.1343 O=C(COc1ccccc1)NCC(O)CO 7a_100000210340_200012027429 [0,2,0,0,0,0|1,0,1]=4 7482 B16R1.1343 O=C(COc1ccccc1)NC[C@@H](F)CO 240690a_100015665980_100000186222 [0,2,0,0,0,0|1,0,1]=4 7483 B16R1.1343 O=C(COc1ccccc1)NC[C@@H](F)CO 527a_100015665980_100000186222 [0,2,0,0,0,0|1,0,1]=4 7484 B16R1.1343 O=C(COc1ccccc1)NC[C@H](O)CO 240690a_100020644852_100000186222 [0,2,0,0,0,0|1,0,1]=4 7485 B16R1.1343 O=C(COc1ccccc1)NC[C@H](O)CO 527a_100020644852_100000186222 [0,2,0,0,0,0|1,0,1]=4 7486 B16R1.1343 O=C(CSc1ccccc1)NCC(O)CO 62a_100000719477_200012027429 [0,2,0,0,0,0|1,0,1]=4 7487 B16R1.1343 O=C(CSc1ccccc1)NCC(O)CO 62a_200012027429_100000041952 [0,2,0,0,0,0|1,0,1]=4 7488 B16R1.1343 O=C(CSc1ccccc1)NC[C@@H](F)CO 240690a_100015665980_100000211596 [0,2,0,0,0,0|1,0,1]=4 7489 B16R1.1343 O=C(CSc1ccccc1)NC[C@@H](F)CO 527a_100015665980_100000211596 [0,2,0,0,0,0|1,0,1]=4 7490 B16R1.1343 O=C(CSc1ccccc1)NC[C@H](O)CO 240690a_100020644852_100000211596 [0,2,0,0,0,0|1,0,1]=4 7491 B16R1.1343 O=C(CSc1ccccc1)NC[C@H](O)CO 527a_100020644852_100000211596 [0,2,0,0,0,0|1,0,1]=4 7492 B16R1.1343 O=C(NC[C@@H](F)CO)NNc1ccccc1 273464a_100015665980_100015195140 [0,2,0,0,0,0|2,0,0]=4 7493 B16R1.1343 O=C(NC[C@@H](F)CO)NNc1ccccc1 512a_100015665980_100015195140 [0,2,0,0,0,0|2,0,0]=4 7494 B16R1.1343 O=C(NCc1ccccc1)NC[C@@H](F)CO 2708a_100015324214_100015665980 [0,2,0,0,0,0|1,0,1]=4 7495 B16R1.1343 O=C(NCc1ccccc1)NC[C@@H](F)CO 273464a_100015324214_100015665980 [0,2,0,0,0,0|1,0,1]=4 7496 B16R1.1343 O=C(NCc1ccccc1)NC[C@@H](F)CO 273464a_100015665980_100015324214 [0,2,0,0,0,0|1,0,1]=4 7497 B16R1.1343 O=C(NCc1ccccc1)NC[C@@H](F)CO 512a_100015324214_100015665980 [0,2,0,0,0,0|1,0,1]=4 7498 B16R1.1343 O=C(NCc1ccccc1)NC[C@@H](F)CO 512a_100015665980_100015324214 [0,2,0,0,0,0|1,0,1]=4 7499 B16R1.1343 O=C(NCc1ccccc1)NC[C@H](O)CO 2708a_100015324214_100020644852 [0,2,0,0,0,0|1,0,1]=4 7500 B16R1.1343 O=C(NCc1ccccc1)NC[C@H](O)CO 273464a_100015324214_100020644852 [0,2,0,0,0,0|1,0,1]=4 7501 B16R1.1343 O=C(NCc1ccccc1)NC[C@H](O)CO 273464a_100020644852_100015324214 [0,2,0,0,0,0|1,0,1]=4 7502 B16R1.1570 CCCC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000747444 [0,2,0,0,0,0|2,0,0]=4 7503 B16R1.1570 CCCC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011216630 [0,2,0,0,0,0|2,0,0]=4 7504 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccccc1 11a_100000741246_100000210462 [0,2,0,0,0,0|1,0,0]=3 7505 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccccc1 1626a_100000741246_100000210462 [0,2,0,0,0,0|1,0,0]=3 7506 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccccn1 11a_100000741246_100000740811 [0,2,0,0,0,0|2,0,0]=4 7507 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccccn1 240690a_100000741246_100000740811 [0,2,0,0,0,0|2,0,0]=4 7508 B16R1.1570 CCCC(C)NC(=O)C=Cc1cccnc1 11a_100000741246_100000735890 [0,2,0,0,0,0|2,0,0]=4 7509 B16R1.1570 CCCC(C)NC(=O)C=Cc1cccnc1 240690a_100000741246_100000735890 [0,2,0,0,0,0|2,0,0]=4 7510 B16R1.1570 CCCC(C)NC(=O)C=Cc1ccncc1 240690a_100000741246_100000682801 [0,2,0,0,0,0|2,0,0]=4 7511 B16R1.1570 CN(CCO)CC(=O)CCc1ccccc1 2230a_100000210263_100012361361 [0,2,0,0,0,0|0,0,2]=4 7512 B16R1.1570 CN(CCO)CC(=O)CCc1ccccc1 269982a_100000210263_100012361361 [0,2,0,0,0,0|0,0,2]=4 7513 B16R1.1570 CN(CCO)CC(=O)NCc1ccccc1 2230a_100000210263_100000183539 [0,2,0,0,0,0|1,0,1]=4 7514 B16R1.1570 CN(CCO)CC(=O)NCc1ccccc1 2230a_100015205873_100000211926 [0,2,0,0,0,0|1,0,1]=4 7515 B16R1.1570 CN(CCO)CC(=O)NCc1ccccc1 269982a_100000210263_100000183539 [0,2,0,0,0,0|1,0,1]=4 7516 B16R1.1570 CN(CCO)CC(=O)NCc1ccccc1 269982a_100015205873_100000211926 [0,2,0,0,0,0|1,0,1]=4 7517 B16R1.1570 CN(CCO)CC(=O)OCc1ccccc1 2230a_100000210263_100000753625 [0,2,0,0,0,0|1,0,1]=4 7518 B16R1.1570 CN(CCO)CC(=O)OCc1ccccc1 2230a_100020626385_100000211926 [0,2,0,0,0,0|1,0,1]=4 7519 B16R1.1570 CN(CCO)CC(=O)OCc1ccccc1 269982a_100000210263_100000753625 [0,2,0,0,0,0|1,0,1]=4 7520 B16R1.1570 CN(CCO)CC(=O)OCc1ccccc1 269982a_100020626385_100000211926 [0,2,0,0,0,0|1,0,1]=4 7521 B16R1.1570 COC[C@@H](C)NC(=O)C#Cc1ccccc1 240690a_100000764878_100000736102 [0,2,0,0,0,0|0,0,2]=4 7522 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1ccccc1 11a_100000764878_100000210462 [0,2,0,0,0,0|0,0,0]=2 7523 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1ccccc1 1626a_100000764878_100000210462 [0,2,0,0,0,0|0,0,0]=2 7524 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1ccccn1 11a_100000764878_100000740811 [0,2,0,0,0,0|1,0,0]=3 7525 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1ccccn1 240690a_100000764878_100000740811 [0,2,0,0,0,0|1,0,0]=3 7526 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1cccnc1 11a_100000764878_100000735890 [0,2,0,0,0,0|1,0,0]=3 7527 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1cccnc1 240690a_100000764878_100000735890 [0,2,0,0,0,0|1,0,0]=3 7528 B16R1.1570 COC[C@@H](C)NC(=O)C=Cc1ccncc1 240690a_100000764878_100000682801 [0,2,0,0,0,0|1,0,0]=3 7529 B16R1.1570 COC[C@@H](C)NC(=O)CCc1ccccc1 11a_100000764878_100000185753 [0,2,0,0,0,0|0,0,2]=4 7530 B16R1.1570 COC[C@@H](C)NC(=O)CCc1ccccc1 1626a_100000764878_100000185753 [0,2,0,0,0,0|0,0,2]=4 7531 B16R1.1570 COC[C@@H](C)NC(=O)CCc1ccccc1 240690a_100000764878_100000185753 [0,2,0,0,0,0|0,0,2]=4 7532 B16R1.1570 COC[C@@H](C)NC(=O)CCc1ccccc1 527a_100000764878_100000185753 [0,2,0,0,0,0|0,0,2]=4 7533 B16R1.1570 COC[C@@H](C)NC(=O)COc1ccccc1 11a_100000764878_100000186222 [0,2,0,0,0,0|1,0,1]=4 7534 B16R1.1570 COC[C@@H](C)NC(=O)COc1ccccc1 1626a_100000764878_100000186222 [0,2,0,0,0,0|1,0,1]=4 7535 B16R1.1570 COC[C@@H](C)NC(=O)COc1ccccc1 240690a_100000764878_100000186222 [0,2,0,0,0,0|1,0,1]=4 7536 B16R1.1570 COC[C@@H](C)NC(=O)COc1ccccc1 527a_100000764878_100000186222 [0,2,0,0,0,0|1,0,1]=4 7537 B16R1.1570 COC[C@@H](C)NC(=O)CSc1ccccc1 11a_100000764878_100000211596 [0,2,0,0,0,0|1,0,1]=4 7538 B16R1.1570 COC[C@@H](C)NC(=O)CSc1ccccc1 1626a_100000764878_100000211596 [0,2,0,0,0,0|1,0,1]=4 7539 B16R1.1570 COC[C@@H](C)NC(=O)CSc1ccccc1 240690a_100000764878_100000211596 [0,2,0,0,0,0|1,0,1]=4 7540 B16R1.1570 COC[C@@H](C)NC(=O)CSc1ccccc1 527a_100000764878_100000211596 [0,2,0,0,0,0|1,0,1]=4 7541 B16R1.1570 COC[C@@H](C)NC(=O)NCc1ccccc1 2708a_100000764878_100015324214 [0,2,0,0,0,0|1,0,1]=4 7542 B16R1.1570 COC[C@@H](C)NC(=O)NCc1ccccc1 2708a_100015324214_100000764878 [0,2,0,0,0,0|1,0,1]=4 7543 B16R1.1570 COC[C@@H](C)NC(=O)NCc1ccccc1 273464a_100000764878_100015324214 [0,2,0,0,0,0|1,0,1]=4 7544 B16R1.1570 COC[C@@H](C)NC(=O)NCc1ccccc1 273464a_100015324214_100000764878 [0,2,0,0,0,0|1,0,1]=4 7545 B16R1.1570 COC[C@@H](C)NC(=O)NCc1ccccc1 512a_100000764878_100015324214 [0,2,0,0,0,0|1,0,1]=4 7546 B16R1.1570 COC[C@@H](C)NC(=O)NCc1ccccc1 512a_100015324214_100000764878 [0,2,0,0,0,0|1,0,1]=4 7547 B16R1.1570 COC[C@@H](C)NC(=O)NNc1ccccc1 273464a_100000764878_100015195140 [0,2,0,0,0,0|2,0,0]=4 7548 B16R1.1570 COC[C@@H](C)NC(=O)NNc1ccccc1 512a_100000764878_100015195140 [0,2,0,0,0,0|2,0,0]=4 7549 B16R1.1570 COC[C@H](C)NC(=O)OCc1ccccc1 7a_100011830355_200000210301 [0,2,0,0,0,0|1,0,1]=4 7550 B16R1.1570 C[C@@H](CC#N)NC(=O)C=Cc1ccccc1 11a_100016994482_100000210462 [0,2,0,0,0,0|1,0,0]=3 7551 B16R1.1570 C[C@@H](CC#N)NC(=O)C=Cc1ccccc1 1626a_100016994482_100000210462 [0,2,0,0,0,0|1,0,0]=3 7552 B16R1.1570 C[C@@H](CC#N)NC(=O)C=Cc1ccccn1 11a_100016994482_100000740811 [0,2,0,0,0,0|2,0,0]=4 7553 B16R1.1570 C[C@@H](CC#N)NC(=O)C=Cc1ccccn1 240690a_100016994482_100000740811 [0,2,0,0,0,0|2,0,0]=4 7554 B16R1.1570 C[C@@H](CC#N)NC(=O)C=Cc1cccnc1 11a_100016994482_100000735890 [0,2,0,0,0,0|2,0,0]=4 7555 B16R1.1570 C[C@@H](CC#N)NC(=O)C=Cc1cccnc1 240690a_100016994482_100000735890 [0,2,0,0,0,0|2,0,0]=4 7556 B16R1.1570 C[C@@H](CC#N)NC(=O)C=Cc1ccncc1 240690a_100016994482_100000682801 [0,2,0,0,0,0|2,0,0]=4 7557 B16R1.1570 C[C@@H](CO[13CH3])NC(=O)OCc1ccccc1 7a_100011830355_200025704644 [0,2,0,0,0,0|1,0,1]=4 7558 B16R1.1570 C[C@H](CCO)NC(=O)C#Cc1ccccc1 240690a_100000706166_100000736102 [0,2,0,0,0,0|0,0,2]=4 7559 B16R1.1570 C[C@H](CCO)NC(=O)C=Cc1ccccn1 240690a_100000706166_100000740811 [0,2,0,0,0,0|1,0,0]=3 7560 B16R1.1570 C[C@H](CCO)NC(=O)C=Cc1cccnc1 240690a_100000706166_100000735890 [0,2,0,0,0,0|1,0,0]=3 7561 B16R1.1570 C[C@H](CCO)NC(=O)C=Cc1ccncc1 240690a_100000706166_100000682801 [0,2,0,0,0,0|1,0,0]=3 7562 B16R1.1570 C[C@H](CCO)NC(=O)CCc1ccccc1 240690a_100000706166_100000185753 [0,2,0,0,0,0|0,0,2]=4 7563 B16R1.1570 C[C@H](CCO)NC(=O)CCc1ccccc1 527a_100000706166_100000185753 [0,2,0,0,0,0|0,0,2]=4 7564 B16R1.1570 C[C@H](CCO)NC(=O)COc1ccccc1 240690a_100000706166_100000186222 [0,2,0,0,0,0|1,0,1]=4 7565 B16R1.1570 C[C@H](CCO)NC(=O)COc1ccccc1 527a_100000706166_100000186222 [0,2,0,0,0,0|1,0,1]=4 7566 B16R1.1570 C[C@H](CCO)NC(=O)CSc1ccccc1 240690a_100000706166_100000211596 [0,2,0,0,0,0|1,0,1]=4 7567 B16R1.1570 C[C@H](CCO)NC(=O)CSc1ccccc1 527a_100000706166_100000211596 [0,2,0,0,0,0|1,0,1]=4 7568 B16R1.1570 C[C@H](CCO)NC(=O)NCc1ccccc1 2708a_100015324214_100000706166 [0,2,0,0,0,0|1,0,1]=4 7569 B16R1.1570 C[C@H](CCO)NC(=O)NCc1ccccc1 273464a_100000706166_100015324214 [0,2,0,0,0,0|1,0,1]=4 7570 B16R1.1570 C[C@H](CCO)NC(=O)NCc1ccccc1 512a_100000706166_100015324214 [0,2,0,0,0,0|1,0,1]=4 7571 B16R1.1570 C[C@H](CCO)NC(=O)NCc1ccccc1 512a_100015324214_100000706166 [0,2,0,0,0,0|1,0,1]=4 7572 B16R1.1570 C[C@H](CCO)NC(=O)NNc1ccccc1 273464a_100000706166_100015195140 [0,2,0,0,0,0|2,0,0]=4 7573 B16R1.1570 C[C@H](CCO)NC(=O)NNc1ccccc1 512a_100000706166_100015195140 [0,2,0,0,0,0|2,0,0]=4 7574 B16R1.1570 O=C(C=Cc1ccccc1)CC(=O)NCO 1458a_100000210462_100000185155 [0,2,0,0,0,0|1,0,1]=4 7575 B16R1.1696 C#CCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000731252 [0,2,0,0,0,0|2,0,0]=4 7576 B16R1.1696 C#CCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000731252 [0,2,0,0,0,0|2,0,0]=4 7577 B16R1.1696 C#CCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000731252 [0,2,0,0,0,0|2,0,0]=4 7578 B16R1.1696 C#CCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000731252 [0,2,0,0,0,0|2,0,0]=4 7579 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Br 11a_100000755551_100000719032 [0,2,0,0,0,0|1,0,0]=3 7580 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Br 1626a_100000755551_100000719032 [0,2,0,0,0,0|1,0,0]=3 7581 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Br 240690a_100000755551_100000719032 [0,2,0,0,0,0|1,0,0]=3 7582 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1C 1626a_100000755551_100016266485 [0,2,0,0,0,0|1,0,0]=3 7583 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Cl 11a_100000755551_100000720304 [0,2,0,0,0,0|1,0,0]=3 7584 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Cl 1626a_100000755551_100000720304 [0,2,0,0,0,0|1,0,0]=3 7585 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1Cl 240690a_100000755551_100000720304 [0,2,0,0,0,0|1,0,0]=3 7586 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1F 11a_100000755551_100016256065 [0,2,0,0,0,0|1,0,0]=3 7587 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1F 1626a_100000755551_100016256065 [0,2,0,0,0,0|1,0,0]=3 7588 B16R1.1696 C#CCCNC(=O)C=Cc1ccccc1F 240690a_100000755551_100016256065 [0,2,0,0,0,0|1,0,0]=3 7589 B16R1.1696 C=CCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000757094 [0,2,0,0,0,0|2,0,0]=4 7590 B16R1.1696 C=CCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000757094 [0,2,0,0,0,0|2,0,0]=4 7591 B16R1.1696 C=CCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000757094 [0,2,0,0,0,0|2,0,0]=4 7592 B16R1.1696 C=CCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000757094 [0,2,0,0,0,0|2,0,0]=4 7593 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Br 11a_100015191253_100000719032 [0,2,0,0,0,0|1,0,0]=3 7594 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Br 1626a_100015191253_100000719032 [0,2,0,0,0,0|1,0,0]=3 7595 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Br 240690a_100015191253_100000719032 [0,2,0,0,0,0|1,0,0]=3 7596 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1C 1626a_100015191253_100016266485 [0,2,0,0,0,0|1,0,0]=3 7597 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Cl 11a_100015191253_100000720304 [0,2,0,0,0,0|1,0,0]=3 7598 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Cl 1626a_100015191253_100000720304 [0,2,0,0,0,0|1,0,0]=3 7599 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1Cl 240690a_100015191253_100000720304 [0,2,0,0,0,0|1,0,0]=3 7600 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1F 11a_100015191253_100016256065 [0,2,0,0,0,0|1,0,0]=3 7601 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1F 1626a_100015191253_100016256065 [0,2,0,0,0,0|1,0,0]=3 7602 B16R1.1696 C=CCCNC(=O)C=Cc1ccccc1F 240690a_100015191253_100016256065 [0,2,0,0,0,0|1,0,0]=3 7603 B16R1.1696 C=CCNNC(=O)C=Cc1ccccc1Br 22a_100020588587_100000719032 [0,2,0,0,0,0|1,0,1]=4 7604 B16R1.1696 C=CCNNC(=O)C=Cc1ccccc1C 22a_100020588587_100016266485 [0,2,0,0,0,0|1,0,1]=4 7605 B16R1.1696 C=CCNNC(=O)C=Cc1ccccc1Cl 22a_100020588587_100000720304 [0,2,0,0,0,0|1,0,1]=4 7606 B16R1.1696 C=CCNNC(=O)C=Cc1ccccc1F 22a_100020588587_100016256065 [0,2,0,0,0,0|1,0,1]=4 7607 B16R1.1696 C=CCNNC(=O)C=Cc1ccccc1O 22a_100020588587_100016263591 [0,2,0,0,0,0|1,0,1]=4 7608 B16R1.1696 CC#CCNC(=O)C=Cc1ccccc1Br 11a_100000685387_100000719032 [0,2,0,0,0,0|1,0,1]=4 7609 B16R1.1696 CC#CCNC(=O)C=Cc1ccccc1Br 1626a_100000685387_100000719032 [0,2,0,0,0,0|1,0,1]=4 7610 B16R1.1696 CC#CCNC(=O)C=Cc1ccccc1C 1626a_100000685387_100016266485 [0,2,0,0,0,0|1,0,1]=4 7611 B16R1.1696 CC#CCNC(=O)C=Cc1ccccc1Cl 11a_100000685387_100000720304 [0,2,0,0,0,0|1,0,1]=4 7612 B16R1.1696 CC#CCNC(=O)C=Cc1ccccc1Cl 1626a_100000685387_100000720304 [0,2,0,0,0,0|1,0,1]=4 7613 B16R1.1696 CC#CCNC(=O)C=Cc1ccccc1F 11a_100000685387_100016256065 [0,2,0,0,0,0|1,0,1]=4 7614 B16R1.1696 CC#CCNC(=O)C=Cc1ccccc1F 1626a_100000685387_100016256065 [0,2,0,0,0,0|1,0,1]=4 7615 B16R1.1696 CC(=NNCCO)C=Cc1ccccc1Cl 4a_100000210001_200016284137 [0,2,0,0,0,0|1,0,0]=3 7616 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210326 [0,2,0,0,0,0|2,0,0]=4 7617 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210326 [0,2,0,0,0,0|2,0,0]=4 7618 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210326 [0,2,0,0,0,0|2,0,0]=4 7619 B16R1.1696 CCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210326 [0,2,0,0,0,0|2,0,0]=4 7620 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br 11a_100000102301_100000719032 [0,2,0,0,0,0|1,0,0]=3 7621 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br 1626a_100000102301_100000719032 [0,2,0,0,0,0|1,0,0]=3 7622 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Br 240690a_100000102301_100000719032 [0,2,0,0,0,0|1,0,0]=3 7623 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1C 1626a_100000102301_100016266485 [0,2,0,0,0,0|1,0,0]=3 7624 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Cl 11a_100000102301_100000720304 [0,2,0,0,0,0|1,0,0]=3 7625 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Cl 1626a_100000102301_100000720304 [0,2,0,0,0,0|1,0,0]=3 7626 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1Cl 240690a_100000102301_100000720304 [0,2,0,0,0,0|1,0,0]=3 7627 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1F 11a_100000102301_100016256065 [0,2,0,0,0,0|1,0,0]=3 7628 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1F 1626a_100000102301_100016256065 [0,2,0,0,0,0|1,0,0]=3 7629 B16R1.1696 CCCCNC(=O)C=Cc1ccccc1F 240690a_100000102301_100016256065 [0,2,0,0,0,0|1,0,0]=3 7630 B16R1.1696 CCCNN=C(C)C=Cc1ccccc1Cl 4a_100000740057_200016284137 [0,2,0,0,0,0|2,0,0]=4 7631 B16R1.1696 CCCNNC(=O)C=Cc1ccccc1Br 22a_100000740057_100000719032 [0,2,0,0,0,0|1,0,0]=3 7632 B16R1.1696 CCCNNC(=O)C=Cc1ccccc1C 22a_100000740057_100016266485 [0,2,0,0,0,0|1,0,0]=3 7633 B16R1.1696 CCCNNC(=O)C=Cc1ccccc1Cl 22a_100000740057_100000720304 [0,2,0,0,0,0|1,0,0]=3 7634 B16R1.1696 CCCNNC(=O)C=Cc1ccccc1F 22a_100000740057_100016256065 [0,2,0,0,0,0|1,0,0]=3 7635 B16R1.1696 CCCNNC(=O)C=Cc1ccccc1O 22a_100000740057_100016263591 [0,2,0,0,0,0|1,0,0]=3 7636 B16R1.1696 CCOCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011215890 [0,2,0,0,0,0|2,0,0]=4 7637 B16R1.1696 CCOCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011215890 [0,2,0,0,0,0|2,0,0]=4 7638 B16R1.1696 CCOCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100011215890 [0,2,0,0,0,0|2,0,0]=4 7639 B16R1.1696 CCOCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011215890 [0,2,0,0,0,0|2,0,0]=4 7640 B16R1.1696 CCSCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000757381 [0,2,0,0,0,0|2,0,0]=4 7641 B16R1.1696 CCSCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000757381 [0,2,0,0,0,0|2,0,0]=4 7642 B16R1.1696 CCSCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000757381 [0,2,0,0,0,0|2,0,0]=4 7643 B16R1.1696 CCSCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000757381 [0,2,0,0,0,0|2,0,0]=4 7644 B16R1.1696 COCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000740836 [0,2,0,0,0,0|1,0,0]=3 7645 B16R1.1696 COCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000740836 [0,2,0,0,0,0|1,0,0]=3 7646 B16R1.1696 COCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000740836 [0,2,0,0,0,0|1,0,0]=3 7647 B16R1.1696 COCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000740836 [0,2,0,0,0,0|1,0,0]=3 7648 B16R1.1696 COCCNC(=O)C=Cc1ccccc1Br 1626a_100000209980_100000719032 [0,2,0,0,0,0|0,0,0]=2 7649 B16R1.1696 COCCNC(=O)C=Cc1ccccc1Br 240690a_100000209980_100000719032 [0,2,0,0,0,0|0,0,0]=2 7650 B16R1.1696 COCCNC(=O)C=Cc1ccccc1C 1626a_100000209980_100016266485 [0,2,0,0,0,0|0,0,0]=2 7651 B16R1.1696 COCCNC(=O)C=Cc1ccccc1Cl 1626a_100000209980_100000720304 [0,2,0,0,0,0|0,0,0]=2 7652 B16R1.1696 COCCNC(=O)C=Cc1ccccc1Cl 240690a_100000209980_100000720304 [0,2,0,0,0,0|0,0,0]=2 7653 B16R1.1696 COCCNC(=O)C=Cc1ccccc1F 1626a_100000209980_100016256065 [0,2,0,0,0,0|0,0,0]=2 7654 B16R1.1696 COCCNC(=O)C=Cc1ccccc1F 240690a_100000209980_100016256065 [0,2,0,0,0,0|0,0,0]=2 7655 B16R1.1696 COCCNC(=O)CCc1ccccc1Br 1626a_100000209980_100000740810 [0,2,0,0,0,0|0,0,2]=4 7656 B16R1.1696 COCCNC(=O)CCc1ccccc1Br 240690a_100000209980_100000740810 [0,2,0,0,0,0|0,0,2]=4 7657 B16R1.1696 COCCNC(=O)CCc1ccccc1Br 527a_100000209980_100000740810 [0,2,0,0,0,0|0,0,2]=4 7658 B16R1.1696 COCCNC(=O)CCc1ccccc1C 1626a_100000209980_100000748742 [0,2,0,0,0,0|0,0,2]=4 7659 B16R1.1696 COCCNC(=O)CCc1ccccc1C 240690a_100000209980_100000748742 [0,2,0,0,0,0|0,0,2]=4 7660 B16R1.1696 COCCNC(=O)CCc1ccccc1C 527a_100000209980_100000748742 [0,2,0,0,0,0|0,0,2]=4 7661 B16R1.1696 COCCNC(=O)CCc1ccccc1Cl 1626a_100000209980_100000184300 [0,2,0,0,0,0|0,0,2]=4 7662 B16R1.1696 COCCNC(=O)CCc1ccccc1Cl 240690a_100000209980_100000184300 [0,2,0,0,0,0|0,0,2]=4 7663 B16R1.1696 COCCNC(=O)CCc1ccccc1Cl 527a_100000209980_100000184300 [0,2,0,0,0,0|0,0,2]=4 7664 B16R1.1696 COCCNC(=O)CCc1ccccc1F 1626a_100000209980_100000189703 [0,2,0,0,0,0|0,0,2]=4 7665 B16R1.1696 COCCNC(=O)CCc1ccccc1F 240690a_100000209980_100000189703 [0,2,0,0,0,0|0,0,2]=4 7666 B16R1.1696 COCCNC(=O)CCc1ccccc1F 527a_100000209980_100000189703 [0,2,0,0,0,0|0,0,2]=4 7667 B16R1.1696 COCCNC(=O)CCc1ccccc1I 1626a_100000209980_100000037306 [0,2,0,0,0,0|0,0,2]=4 7668 B16R1.1696 COCCNC(=O)CCc1ccccc1I 240690a_100000209980_100000037306 [0,2,0,0,0,0|0,0,2]=4 7669 B16R1.1696 COCCNC(=O)CCc1ccccc1I 527a_100000209980_100000037306 [0,2,0,0,0,0|0,0,2]=4 7670 B16R1.1696 COCCNC(=O)CCc1ccccc1O 240690a_100000209980_100000181328 [0,2,0,0,0,0|0,0,2]=4 7671 B16R1.1696 COCCNC(=O)CCc1ccccc1O 527a_100000209980_100000181328 [0,2,0,0,0,0|0,0,2]=4 7672 B16R1.1696 COCCNC(=O)CNc1ccccc1Br 34a_100000210017_100000183275 [0,2,0,0,0,0|1,0,1]=4 7673 B16R1.1696 COCCNC(=O)CNc1ccccc1C 34a_100015192222_100000183275 [0,2,0,0,0,0|1,0,1]=4 7674 B16R1.1696 COCCNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183275 [0,2,0,0,0,0|1,0,1]=4 7675 B16R1.1696 COCCNC(=O)CNc1ccccc1F 34a_100000210422_100000183275 [0,2,0,0,0,0|1,0,1]=4 7676 B16R1.1696 COCCNC(=O)CNc1ccccc1I 34a_100000210053_100000183275 [0,2,0,0,0,0|1,0,1]=4 7677 B16R1.1696 COCCNC(=O)CNc1ccccc1O 34a_100000185747_100000183275 [0,2,0,0,0,0|1,0,1]=4 7678 B16R1.1696 COCCNC(=O)COc1ccccc1Br 1626a_100000209980_100000216496 [0,2,0,0,0,0|1,0,1]=4 7679 B16R1.1696 COCCNC(=O)COc1ccccc1Br 240690a_100000209980_100000216496 [0,2,0,0,0,0|1,0,1]=4 7680 B16R1.1696 COCCNC(=O)COc1ccccc1Br 34a_100000181306_100000183275 [0,2,0,0,0,0|1,0,1]=4 7681 B16R1.1696 COCCNC(=O)COc1ccccc1Br 527a_100000209980_100000216496 [0,2,0,0,0,0|1,0,1]=4 7682 B16R1.1696 COCCNC(=O)COc1ccccc1Br 7a_100000181306_100000183275 [0,2,0,0,0,0|1,0,1]=4 7683 B16R1.1696 COCCNC(=O)COc1ccccc1C 1626a_100000209980_100000182418 [0,2,0,0,0,0|1,0,1]=4 7684 B16R1.1696 COCCNC(=O)COc1ccccc1C 240690a_100000209980_100000182418 [0,2,0,0,0,0|1,0,1]=4 7685 B16R1.1696 COCCNC(=O)COc1ccccc1C 34a_100000210338_100000183275 [0,2,0,0,0,0|1,0,1]=4 7686 B16R1.1696 COCCNC(=O)COc1ccccc1C 527a_100000209980_100000182418 [0,2,0,0,0,0|1,0,1]=4 7687 B16R1.1696 COCCNC(=O)COc1ccccc1C 7a_100000210338_100000183275 [0,2,0,0,0,0|1,0,1]=4 7688 B16R1.1696 COCCNC(=O)COc1ccccc1Cl 1626a_100000209980_100000185159 [0,2,0,0,0,0|1,0,1]=4 7689 B16R1.1696 COCCNC(=O)COc1ccccc1Cl 240690a_100000209980_100000185159 [0,2,0,0,0,0|1,0,1]=4 7690 B16R1.1696 COCCNC(=O)COc1ccccc1Cl 34a_100000210172_100000183275 [0,2,0,0,0,0|1,0,1]=4 7691 B16R1.1696 COCCNC(=O)COc1ccccc1Cl 527a_100000209980_100000185159 [0,2,0,0,0,0|1,0,1]=4 7692 B16R1.1696 COCCNC(=O)COc1ccccc1Cl 7a_100000210172_100000183275 [0,2,0,0,0,0|1,0,1]=4 7693 B16R1.1696 COCCNC(=O)COc1ccccc1F 1626a_100000209980_100000182486 [0,2,0,0,0,0|1,0,1]=4 7694 B16R1.1696 COCCNC(=O)COc1ccccc1F 240690a_100000209980_100000182486 [0,2,0,0,0,0|1,0,1]=4 7695 B16R1.1696 COCCNC(=O)COc1ccccc1F 34a_100000210171_100000183275 [0,2,0,0,0,0|1,0,1]=4 7696 B16R1.1696 COCCNC(=O)COc1ccccc1F 527a_100000209980_100000182486 [0,2,0,0,0,0|1,0,1]=4 7697 B16R1.1696 COCCNC(=O)COc1ccccc1F 7a_100000210171_100000183275 [0,2,0,0,0,0|1,0,1]=4 7698 B16R1.1696 COCCNC(=O)COc1ccccc1I 34a_100000739446_100000183275 [0,2,0,0,0,0|1,0,1]=4 7699 B16R1.1696 COCCNC(=O)COc1ccccc1I 7a_100000739446_100000183275 [0,2,0,0,0,0|1,0,1]=4 7700 B16R1.1696 COCCNC(=O)COc1ccccc1N 34a_100000185747_100000183275 [0,2,0,0,0,0|1,0,1]=4 7701 B16R1.1696 COCCNC(=O)COc1ccccc1N 7a_100000185747_100000183275 [0,2,0,0,0,0|1,0,1]=4 7702 B16R1.1696 COCCNC(=O)COc1ccccc1O 240690a_100000209980_100000183020 [0,2,0,0,0,0|1,0,1]=4 7703 B16R1.1696 COCCNC(=O)COc1ccccc1O 527a_100000209980_100000183020 [0,2,0,0,0,0|1,0,1]=4 7704 B16R1.1696 COCCNC(=O)CSc1ccccc1Br 62a_100000183275_100000695589 [0,2,0,0,0,0|1,0,1]=4 7705 B16R1.1696 COCCNC(=O)CSc1ccccc1Br 62a_100000695589_100000183275 [0,2,0,0,0,0|1,0,1]=4 7706 B16R1.1696 COCCNC(=O)CSc1ccccc1C 1626a_100000209980_100000183026 [0,2,0,0,0,0|1,0,1]=4 7707 B16R1.1696 COCCNC(=O)CSc1ccccc1C 240690a_100000209980_100000183026 [0,2,0,0,0,0|1,0,1]=4 7708 B16R1.1696 COCCNC(=O)CSc1ccccc1C 527a_100000209980_100000183026 [0,2,0,0,0,0|1,0,1]=4 7709 B16R1.1696 COCCNC(=O)CSc1ccccc1C 62a_100000183275_100000210755 [0,2,0,0,0,0|1,0,1]=4 7710 B16R1.1696 COCCNC(=O)CSc1ccccc1C 62a_100000210755_100000183275 [0,2,0,0,0,0|1,0,1]=4 7711 B16R1.1696 COCCNC(=O)CSc1ccccc1Cl 62a_100000183275_100000764095 [0,2,0,0,0,0|1,0,1]=4 7712 B16R1.1696 COCCNC(=O)CSc1ccccc1Cl 62a_100000764095_100000183275 [0,2,0,0,0,0|1,0,1]=4 7713 B16R1.1696 COCCNC(=O)CSc1ccccc1F 1626a_100000209980_100000179528 [0,2,0,0,0,0|1,0,1]=4 7714 B16R1.1696 COCCNC(=O)CSc1ccccc1F 240690a_100000209980_100000179528 [0,2,0,0,0,0|1,0,1]=4 7715 B16R1.1696 COCCNC(=O)CSc1ccccc1F 62a_100000183275_100011215700 [0,2,0,0,0,0|1,0,1]=4 7716 B16R1.1696 COCCNC(=O)CSc1ccccc1F 62a_100011215700_100000183275 [0,2,0,0,0,0|1,0,1]=4 7717 B16R1.1696 COCCNC(=O)CSc1ccccc1N 62a_100000183275_100000210017 [0,2,0,0,0,0|1,0,1]=4 7718 B16R1.1696 COCCNC(=O)CSc1ccccc1N 62a_100000210017_100000183275 [0,2,0,0,0,0|1,0,1]=4 7719 B16R1.1696 COCCNC(=O)CSc1ccccc1O 240690a_100000209980_100000695322 [0,2,0,0,0,0|1,0,1]=4 7720 B16R1.1696 COCCNC(=O)CSc1ccccc1O 527a_100000209980_100000695322 [0,2,0,0,0,0|1,0,1]=4 7721 B16R1.1696 COCCNC(=O)CSc1ccccc1O 62a_100000183275_100000739446 [0,2,0,0,0,0|1,0,1]=4 7722 B16R1.1696 COCCNC(=O)CSc1ccccc1O 62a_100000739446_100000183275 [0,2,0,0,0,0|1,0,1]=4 7723 B16R1.1696 COCCNC(=O)NCc1ccccc1Br 2708a_100000689332_100000209980 [0,2,0,0,0,0|1,0,1]=4 7724 B16R1.1696 COCCNC(=O)NCc1ccccc1Br 273464a_100000209980_100000689332 [0,2,0,0,0,0|1,0,1]=4 7725 B16R1.1696 COCCNC(=O)NCc1ccccc1Br 273464a_100000689332_100000209980 [0,2,0,0,0,0|1,0,1]=4 7726 B16R1.1696 COCCNC(=O)NCc1ccccc1C 2708a_100000174972_100000209980 [0,2,0,0,0,0|1,0,1]=4 7727 B16R1.1696 COCCNC(=O)NCc1ccccc1C 273464a_100000174972_100000209980 [0,2,0,0,0,0|1,0,1]=4 7728 B16R1.1696 COCCNC(=O)NCc1ccccc1C 273464a_100000209980_100000174972 [0,2,0,0,0,0|1,0,1]=4 7729 B16R1.1696 COCCNC(=O)NCc1ccccc1Cl 2708a_100000174879_100000209980 [0,2,0,0,0,0|1,0,1]=4 7730 B16R1.1696 COCCNC(=O)NCc1ccccc1Cl 273464a_100000174879_100000209980 [0,2,0,0,0,0|1,0,1]=4 7731 B16R1.1696 COCCNC(=O)NCc1ccccc1Cl 273464a_100000209980_100000174879 [0,2,0,0,0,0|1,0,1]=4 7732 B16R1.1696 COCCNC(=O)NCc1ccccc1F 2708a_100000174869_100000209980 [0,2,0,0,0,0|1,0,1]=4 7733 B16R1.1696 COCCNC(=O)NCc1ccccc1F 273464a_100000174869_100000209980 [0,2,0,0,0,0|1,0,1]=4 7734 B16R1.1696 COCCNC(=O)NCc1ccccc1F 273464a_100000209980_100000174869 [0,2,0,0,0,0|1,0,1]=4 7735 B16R1.1696 COCCNC(=O)NCc1ccccc1I 2708a_100015347259_100000209980 [0,2,0,0,0,0|1,0,1]=4 7736 B16R1.1696 COCCNC(=O)NCc1ccccc1I 273464a_100000209980_100015347259 [0,2,0,0,0,0|1,0,1]=4 7737 B16R1.1696 COCCNC(=O)NCc1ccccc1I 273464a_100015347259_100000209980 [0,2,0,0,0,0|1,0,1]=4 7738 B16R1.1696 COCCNC(=O)NCc1ccccc1O 2708a_100000185550_100000209980 [0,2,0,0,0,0|1,0,1]=4 7739 B16R1.1696 COCCNC(=O)NCc1ccccc1O 273464a_100000185550_100000209980 [0,2,0,0,0,0|1,0,1]=4 7740 B16R1.1696 COCCNC(=O)NCc1ccccc1O 273464a_100000209980_100000185550 [0,2,0,0,0,0|1,0,1]=4 7741 B16R1.1696 COCCNC(=O)NNc1ccccc1Br 273464a_100000209980_100000241748 [0,2,0,0,0,0|2,0,0]=4 7742 B16R1.1696 COCCNC(=O)NNc1ccccc1C 273464a_100000209980_100000184220 [0,2,0,0,0,0|2,0,0]=4 7743 B16R1.1696 COCCNC(=O)NNc1ccccc1Cl 273464a_100000209980_100000683529 [0,2,0,0,0,0|2,0,0]=4 7744 B16R1.1696 COCCNC(=O)NNc1ccccc1F 273464a_100000209980_100000239246 [0,2,0,0,0,0|2,0,0]=4 7745 B16R1.1696 COCCNC(=O)NNc1ccccc1I 273464a_100000209980_100011218156 [0,2,0,0,0,0|2,0,0]=4 7746 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Br 11a_100020590264_100000719032 [0,2,0,0,0,0|0,1,0]=3 7747 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Br 1626a_100020590264_100000719032 [0,2,0,0,0,0|0,1,0]=3 7748 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Br 240690a_100020590264_100000719032 [0,2,0,0,0,0|0,1,0]=3 7749 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1C 1626a_100020590264_100016266485 [0,2,0,0,0,0|0,1,0]=3 7750 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Cl 11a_100020590264_100000720304 [0,2,0,0,0,0|0,1,0]=3 7751 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Cl 1626a_100020590264_100000720304 [0,2,0,0,0,0|0,1,0]=3 7752 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1Cl 240690a_100020590264_100000720304 [0,2,0,0,0,0|0,1,0]=3 7753 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1F 11a_100020590264_100016256065 [0,2,0,0,0,0|0,1,0]=3 7754 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1F 1626a_100020590264_100016256065 [0,2,0,0,0,0|0,1,0]=3 7755 B16R1.1696 CSCCNC(=O)C=Cc1ccccc1F 240690a_100020590264_100016256065 [0,2,0,0,0,0|0,1,0]=3 7756 B16R1.1696 Cc1ccccc1C=CC(=O)NCCC#N 1626a_100000720768_100016266485 [0,2,0,0,0,0|1,0,0]=3 7757 B16R1.1696 Cc1ccccc1C=CC(=O)NCCCF 1626a_100015189416_100016266485 [0,2,0,0,0,0|1,0,0]=3 7758 B16R1.1696 Cc1ccccc1C=CC(=O)NNCCO 22a_100000210001_100016266485 [0,2,0,0,0,0|0,0,0]=2 7759 B16R1.1696 Cc1ccccc1CCC(=O)NCCCO 240690a_100000182051_100000748742 [0,2,0,0,0,0|0,0,2]=4 7760 B16R1.1696 Cc1ccccc1CCC(=O)NCCCO 527a_100000182051_100000748742 [0,2,0,0,0,0|0,0,2]=4 7761 B16R1.1696 Cc1ccccc1CCC(=O)NNCCO 22a_100000210001_100000748742 [0,2,0,0,0,0|0,0,2]=4 7762 B16R1.1696 Cc1ccccc1CNC(=O)CNCCO 2230a_100016997473_100000230231 [0,2,0,0,0,0|1,0,1]=4 7763 B16R1.1696 Cc1ccccc1CNC(=O)CNCCO 34a_100016990907_100000230231 [0,2,0,0,0,0|1,0,1]=4 7764 B16R1.1696 Cc1ccccc1CNC(=O)NCCCO 2708a_100000174972_100000182051 [0,2,0,0,0,0|1,0,1]=4 7765 B16R1.1696 Cc1ccccc1CNC(=O)NCCCO 273464a_100000174972_100000182051 [0,2,0,0,0,0|1,0,1]=4 7766 B16R1.1696 Cc1ccccc1CNC(=O)NCCCO 273464a_100000182051_100000174972 [0,2,0,0,0,0|1,0,1]=4 7767 B16R1.1696 Cc1ccccc1CNC(=O)NCCCO 512a_100000174972_100000182051 [0,2,0,0,0,0|1,0,1]=4 7768 B16R1.1696 Cc1ccccc1CNC(=O)NNCCO 273464a_100000174972_100000210001 [0,2,0,0,0,0|1,0,1]=4 7769 B16R1.1696 Cc1ccccc1CNC(=O)NNCCO 512a_100000174972_100000210001 [0,2,0,0,0,0|1,0,1]=4 7770 B16R1.1696 Cc1ccccc1NNC(=O)NCCCO 273464a_100000182051_100000184220 [0,2,0,0,0,0|2,0,0]=4 7771 B16R1.1696 Cc1ccccc1OCC(=O)NCCCO 240690a_100000182051_100000182418 [0,2,0,0,0,0|1,0,1]=4 7772 B16R1.1696 Cc1ccccc1OCC(=O)NCCCO 527a_100000182051_100000182418 [0,2,0,0,0,0|1,0,1]=4 7773 B16R1.1696 Cc1ccccc1OCC(=O)NNCCO 22a_100000210001_100000182418 [0,2,0,0,0,0|1,0,1]=4 7774 B16R1.1696 Cc1ccccc1SCC(=O)NCCCO 240690a_100000182051_100000183026 [0,2,0,0,0,0|1,0,1]=4 7775 B16R1.1696 Cc1ccccc1SCC(=O)NCCCO 527a_100000182051_100000183026 [0,2,0,0,0,0|1,0,1]=4 7776 B16R1.1696 Cc1ccccc1SCC(=O)NNCCO 22a_100000210001_100000183026 [0,2,0,0,0,0|1,0,1]=4 7777 B16R1.1696 N#CCCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000211468 [0,2,0,0,0,0|2,0,0]=4 7778 B16R1.1696 N#CCCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000211468 [0,2,0,0,0,0|2,0,0]=4 7779 B16R1.1696 N#CCCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000211468 [0,2,0,0,0,0|2,0,0]=4 7780 B16R1.1696 N#CCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000211468 [0,2,0,0,0,0|2,0,0]=4 7781 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Br 11a_100000720768_100000719032 [0,2,0,0,0,0|1,0,0]=3 7782 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Br 1626a_100000720768_100000719032 [0,2,0,0,0,0|1,0,0]=3 7783 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Br 240690a_100000720768_100000719032 [0,2,0,0,0,0|1,0,0]=3 7784 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Cl 11a_100000720768_100000720304 [0,2,0,0,0,0|1,0,0]=3 7785 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Cl 1626a_100000720768_100000720304 [0,2,0,0,0,0|1,0,0]=3 7786 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1Cl 240690a_100000720768_100000720304 [0,2,0,0,0,0|1,0,0]=3 7787 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1F 11a_100000720768_100016256065 [0,2,0,0,0,0|1,0,0]=3 7788 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1F 1626a_100000720768_100016256065 [0,2,0,0,0,0|1,0,0]=3 7789 B16R1.1696 N#CCCNC(=O)C=Cc1ccccc1F 240690a_100000720768_100016256065 [0,2,0,0,0,0|1,0,0]=3 7790 B16R1.1696 O=C(C#Cc1ccccc1F)NNCCO 22a_100000210001_100011892747 [0,2,0,0,0,0|0,0,2]=4 7791 B16R1.1696 O=C(C=Cc1ccccc1Br)CC#CCO 1458a_100000719032_200000047223 [0,2,0,0,0,0|1,0,1]=4 7792 B16R1.1696 O=C(C=Cc1ccccc1Br)CCCCF 1458a_100000719032_100000729493 [0,2,0,0,0,0|2,0,0]=4 7793 B16R1.1696 O=C(C=Cc1ccccc1Br)CCCCO 1458a_100000719032_100000210776 [0,2,0,0,0,0|1,0,0]=3 7794 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCF 11a_100015189416_100000719032 [0,2,0,0,0,0|1,0,0]=3 7795 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCF 1626a_100015189416_100000719032 [0,2,0,0,0,0|1,0,0]=3 7796 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCF 240690a_100015189416_100000719032 [0,2,0,0,0,0|1,0,0]=3 7797 B16R1.1696 O=C(C=Cc1ccccc1Br)NCCCO 240690a_100000182051_100000719032 [0,2,0,0,0,0|0,0,0]=2 7798 B16R1.1696 O=C(C=Cc1ccccc1Br)NNCCO 22a_100000210001_100000719032 [0,2,0,0,0,0|0,0,0]=2 7799 B16R1.1696 O=C(C=Cc1ccccc1Cl)CC#CCO 1458a_100000720304_200000047223 [0,2,0,0,0,0|1,0,1]=4 7800 B16R1.1696 O=C(C=Cc1ccccc1Cl)CCCCF 1458a_100000720304_100000729493 [0,2,0,0,0,0|2,0,0]=4 7801 B16R1.1696 O=C(C=Cc1ccccc1Cl)CCCCO 1458a_100000720304_100000210776 [0,2,0,0,0,0|1,0,0]=3 7802 B16R1.1696 O=C(C=Cc1ccccc1Cl)NCCCF 11a_100015189416_100000720304 [0,2,0,0,0,0|1,0,0]=3 7803 B16R1.1696 O=C(C=Cc1ccccc1Cl)NCCCF 1626a_100015189416_100000720304 [0,2,0,0,0,0|1,0,0]=3 7804 B16R1.1696 O=C(C=Cc1ccccc1Cl)NCCCF 240690a_100015189416_100000720304 [0,2,0,0,0,0|1,0,0]=3 7805 B16R1.1696 O=C(C=Cc1ccccc1Cl)NCCCO 240690a_100000182051_100000720304 [0,2,0,0,0,0|0,0,0]=2 7806 B16R1.1696 O=C(C=Cc1ccccc1Cl)NNCCO 22a_100000210001_100000720304 [0,2,0,0,0,0|0,0,0]=2 7807 B16R1.1696 O=C(C=Cc1ccccc1F)CC#CCO 1458a_100016256065_200000047223 [0,2,0,0,0,0|1,0,1]=4 7808 B16R1.1696 O=C(C=Cc1ccccc1F)CCCCF 1458a_100016256065_100000729493 [0,2,0,0,0,0|2,0,0]=4 7809 B16R1.1696 O=C(C=Cc1ccccc1F)CCCCO 1458a_100016256065_100000210776 [0,2,0,0,0,0|1,0,0]=3 7810 B16R1.1696 O=C(C=Cc1ccccc1F)NCCCF 11a_100015189416_100016256065 [0,2,0,0,0,0|1,0,0]=3 7811 B16R1.1696 O=C(C=Cc1ccccc1F)NCCCF 1626a_100015189416_100016256065 [0,2,0,0,0,0|1,0,0]=3 7812 B16R1.1696 O=C(C=Cc1ccccc1F)NCCCF 240690a_100015189416_100016256065 [0,2,0,0,0,0|1,0,0]=3 7813 B16R1.1696 O=C(C=Cc1ccccc1F)NCCCO 240690a_100000182051_100016256065 [0,2,0,0,0,0|0,0,0]=2 7814 B16R1.1696 O=C(C=Cc1ccccc1F)NNCCO 22a_100000210001_100016256065 [0,2,0,0,0,0|0,0,0]=2 7815 B16R1.1696 O=C(C=Cc1ccccc1O)CC#CCO 1458a_100016263591_200000047223 [0,2,0,0,0,0|1,0,1]=4 7816 B16R1.1696 O=C(C=Cc1ccccc1O)CCCCF 1458a_100016263591_100000729493 [0,2,0,0,0,0|2,0,0]=4 7817 B16R1.1696 O=C(C=Cc1ccccc1O)CCCCO 1458a_100016263591_100000210776 [0,2,0,0,0,0|1,0,0]=3 7818 B16R1.1696 O=C(C=Cc1ccccc1O)NNCCO 22a_100000210001_100016263591 [0,2,0,0,0,0|0,0,0]=2 7819 B16R1.1696 O=C(CCc1ccccc1Br)NCCCO 240690a_100000182051_100000740810 [0,2,0,0,0,0|0,0,2]=4 7820 B16R1.1696 O=C(CCc1ccccc1Br)NCCCO 527a_100000182051_100000740810 [0,2,0,0,0,0|0,0,2]=4 7821 B16R1.1696 O=C(CCc1ccccc1Br)NNCCO 22a_100000210001_100000740810 [0,2,0,0,0,0|0,0,2]=4 7822 B16R1.1696 O=C(CCc1ccccc1Cl)NCCCO 240690a_100000182051_100000184300 [0,2,0,0,0,0|0,0,2]=4 7823 B16R1.1696 O=C(CCc1ccccc1Cl)NCCCO 527a_100000182051_100000184300 [0,2,0,0,0,0|0,0,2]=4 7824 B16R1.1696 O=C(CCc1ccccc1Cl)NNCCO 22a_100000210001_100000184300 [0,2,0,0,0,0|0,0,2]=4 7825 B16R1.1696 O=C(CCc1ccccc1F)NCCCO 240690a_100000182051_100000189703 [0,2,0,0,0,0|0,0,2]=4 7826 B16R1.1696 O=C(CCc1ccccc1F)NCCCO 527a_100000182051_100000189703 [0,2,0,0,0,0|0,0,2]=4 7827 B16R1.1696 O=C(CCc1ccccc1F)NNCCO 22a_100000210001_100000189703 [0,2,0,0,0,0|0,0,2]=4 7828 B16R1.1696 O=C(CCc1ccccc1I)NCCCO 240690a_100000182051_100000037306 [0,2,0,0,0,0|0,0,2]=4 7829 B16R1.1696 O=C(CCc1ccccc1I)NCCCO 527a_100000182051_100000037306 [0,2,0,0,0,0|0,0,2]=4 7830 B16R1.1696 O=C(CCc1ccccc1I)NNCCO 22a_100000210001_100000037306 [0,2,0,0,0,0|0,0,2]=4 7831 B16R1.1696 O=C(CCc1ccccc1O)NCCCO 240690a_100000182051_100000181328 [0,2,0,0,0,0|0,0,2]=4 7832 B16R1.1696 O=C(CCc1ccccc1O)NCCCO 527a_100000182051_100000181328 [0,2,0,0,0,0|0,0,2]=4 7833 B16R1.1696 O=C(CCc1ccccc1O)NNCCO 22a_100000210001_100000181328 [0,2,0,0,0,0|0,0,2]=4 7834 B16R1.1696 O=C(CNCCO)NCc1ccccc1F 2230a_100016997473_100000190583 [0,2,0,0,0,0|1,0,1]=4 7835 B16R1.1696 O=C(CNCCO)NCc1ccccc1F 34a_100016990907_100000190583 [0,2,0,0,0,0|1,0,1]=4 7836 B16R1.1696 O=C(COc1ccccc1Br)NCCCO 240690a_100000182051_100000216496 [0,2,0,0,0,0|1,0,1]=4 7837 B16R1.1696 O=C(COc1ccccc1Br)NCCCO 527a_100000182051_100000216496 [0,2,0,0,0,0|1,0,1]=4 7838 B16R1.1696 O=C(COc1ccccc1Br)NNCCO 22a_100000210001_100000216496 [0,2,0,0,0,0|1,0,1]=4 7839 B16R1.1696 O=C(COc1ccccc1Cl)NCCCO 240690a_100000182051_100000185159 [0,2,0,0,0,0|1,0,1]=4 7840 B16R1.1696 O=C(COc1ccccc1Cl)NCCCO 527a_100000182051_100000185159 [0,2,0,0,0,0|1,0,1]=4 7841 B16R1.1696 O=C(COc1ccccc1Cl)NNCCO 22a_100000210001_100000185159 [0,2,0,0,0,0|1,0,1]=4 7842 B16R1.1696 O=C(COc1ccccc1F)NCCCO 240690a_100000182051_100000182486 [0,2,0,0,0,0|1,0,1]=4 7843 B16R1.1696 O=C(COc1ccccc1F)NCCCO 527a_100000182051_100000182486 [0,2,0,0,0,0|1,0,1]=4 7844 B16R1.1696 O=C(COc1ccccc1F)NNCCO 22a_100000210001_100000182486 [0,2,0,0,0,0|1,0,1]=4 7845 B16R1.1696 O=C(COc1ccccc1O)NCCCO 240690a_100000182051_100000183020 [0,2,0,0,0,0|1,0,1]=4 7846 B16R1.1696 O=C(COc1ccccc1O)NCCCO 527a_100000182051_100000183020 [0,2,0,0,0,0|1,0,1]=4 7847 B16R1.1696 O=C(COc1ccccc1O)NNCCO 22a_100000210001_100000183020 [0,2,0,0,0,0|1,0,1]=4 7848 B16R1.1696 O=C(CSc1ccccc1F)NCCCO 240690a_100000182051_100000179528 [0,2,0,0,0,0|1,0,1]=4 7849 B16R1.1696 O=C(CSc1ccccc1F)NNCCO 22a_100000210001_100000179528 [0,2,0,0,0,0|1,0,1]=4 7850 B16R1.1696 O=C(CSc1ccccc1O)NCCCO 240690a_100000182051_100000695322 [0,2,0,0,0,0|1,0,1]=4 7851 B16R1.1696 O=C(CSc1ccccc1O)NCCCO 527a_100000182051_100000695322 [0,2,0,0,0,0|1,0,1]=4 7852 B16R1.1696 O=C(CSc1ccccc1O)NNCCO 22a_100000210001_100000695322 [0,2,0,0,0,0|1,0,1]=4 7853 B16R1.1696 O=C(NCCCO)NCc1ccccc1Br 2708a_100000689332_100000182051 [0,2,0,0,0,0|1,0,1]=4 7854 B16R1.1696 O=C(NCCCO)NCc1ccccc1Br 273464a_100000182051_100000689332 [0,2,0,0,0,0|1,0,1]=4 7855 B16R1.1696 O=C(NCCCO)NCc1ccccc1Br 273464a_100000689332_100000182051 [0,2,0,0,0,0|1,0,1]=4 7856 B16R1.1696 O=C(NCCCO)NCc1ccccc1Br 512a_100000689332_100000182051 [0,2,0,0,0,0|1,0,1]=4 7857 B16R1.1696 O=C(NCCCO)NCc1ccccc1Cl 2708a_100000174879_100000182051 [0,2,0,0,0,0|1,0,1]=4 7858 B16R1.1696 O=C(NCCCO)NCc1ccccc1Cl 273464a_100000174879_100000182051 [0,2,0,0,0,0|1,0,1]=4 7859 B16R1.1696 O=C(NCCCO)NCc1ccccc1Cl 273464a_100000182051_100000174879 [0,2,0,0,0,0|1,0,1]=4 7860 B16R1.1696 O=C(NCCCO)NCc1ccccc1F 2708a_100000174869_100000182051 [0,2,0,0,0,0|1,0,1]=4 7861 B16R1.1696 O=C(NCCCO)NCc1ccccc1F 273464a_100000174869_100000182051 [0,2,0,0,0,0|1,0,1]=4 7862 B16R1.1696 O=C(NCCCO)NCc1ccccc1F 273464a_100000182051_100000174869 [0,2,0,0,0,0|1,0,1]=4 7863 B16R1.1696 O=C(NCCCO)NCc1ccccc1F 512a_100000174869_100000182051 [0,2,0,0,0,0|1,0,1]=4 7864 B16R1.1696 O=C(NCCCO)NCc1ccccc1I 2708a_100015347259_100000182051 [0,2,0,0,0,0|1,0,1]=4 7865 B16R1.1696 O=C(NCCCO)NCc1ccccc1I 273464a_100000182051_100015347259 [0,2,0,0,0,0|1,0,1]=4 7866 B16R1.1696 O=C(NCCCO)NCc1ccccc1I 273464a_100015347259_100000182051 [0,2,0,0,0,0|1,0,1]=4 7867 B16R1.1696 O=C(NCCCO)NCc1ccccc1I 512a_100015347259_100000182051 [0,2,0,0,0,0|1,0,1]=4 7868 B16R1.1696 O=C(NCCCO)NCc1ccccc1O 2708a_100000185550_100000182051 [0,2,0,0,0,0|1,0,1]=4 7869 B16R1.1696 O=C(NCCCO)NCc1ccccc1O 273464a_100000182051_100000185550 [0,2,0,0,0,0|1,0,1]=4 7870 B16R1.1696 O=C(NCCCO)NCc1ccccc1O 273464a_100000185550_100000182051 [0,2,0,0,0,0|1,0,1]=4 7871 B16R1.1696 O=C(NCCCO)NCc1ccccc1O 512a_100000185550_100000182051 [0,2,0,0,0,0|1,0,1]=4 7872 B16R1.1696 O=C(NCCCO)NNc1ccccc1Br 273464a_100000182051_100000241748 [0,2,0,0,0,0|2,0,0]=4 7873 B16R1.1696 O=C(NCCCO)NNc1ccccc1Cl 273464a_100000182051_100000683529 [0,2,0,0,0,0|2,0,0]=4 7874 B16R1.1696 O=C(NCCCO)NNc1ccccc1F 273464a_100000182051_100000239246 [0,2,0,0,0,0|2,0,0]=4 7875 B16R1.1696 O=C(NCCCO)NNc1ccccc1I 273464a_100000182051_100011218156 [0,2,0,0,0,0|2,0,0]=4 7876 B16R1.1696 O=C(NCc1ccccc1Br)NNCCO 273464a_100000689332_100000210001 [0,2,0,0,0,0|1,0,1]=4 7877 B16R1.1696 O=C(NCc1ccccc1Br)NNCCO 512a_100000689332_100000210001 [0,2,0,0,0,0|1,0,1]=4 7878 B16R1.1696 O=C(NCc1ccccc1Cl)NNCCO 273464a_100000174879_100000210001 [0,2,0,0,0,0|1,0,1]=4 7879 B16R1.1696 O=C(NCc1ccccc1F)NNCCO 273464a_100000174869_100000210001 [0,2,0,0,0,0|1,0,1]=4 7880 B16R1.1696 O=C(NCc1ccccc1F)NNCCO 512a_100000174869_100000210001 [0,2,0,0,0,0|1,0,1]=4 7881 B16R1.1696 O=C(NCc1ccccc1I)NNCCO 273464a_100015347259_100000210001 [0,2,0,0,0,0|1,0,1]=4 7882 B16R1.1696 O=C(NCc1ccccc1I)NNCCO 512a_100015347259_100000210001 [0,2,0,0,0,0|1,0,1]=4 7883 B16R1.20527 C#CCCNS(=O)(=O)C=Cc1ccccc1 40a_100000755551_100011098038 [0,2,0,0,0,0|2,0,0]=4 7884 B16R1.20527 C=CCCNS(=O)(=O)C=Cc1ccccc1 40a_100015191253_100011098038 [0,2,0,0,0,0|2,0,0]=4 7885 B16R1.20527 CCCCNS(=O)(=O)C=Cc1ccccc1 40a_100000102301_100011098038 [0,2,0,0,0,0|2,0,0]=4 7886 B16R1.20527 CCCNNS(=O)(=O)C=Cc1ccccc1 40a_100000740057_100011098038 [0,2,0,0,0,0|2,0,0]=4 7887 B16R1.20527 COCCNS(=O)(=O)C=Cc1ccccc1 40a_100000209980_100011098038 [0,2,0,0,0,0|1,0,0]=3 7888 B16R1.20527 CSCCNS(=O)(=O)C=Cc1ccccc1 40a_100020590264_100011098038 [0,2,0,0,0,0|1,1,0]=4 7889 B16R1.20527 N#CCCNS(=O)(=O)C=Cc1ccccc1 40a_100000720768_100011098038 [0,2,0,0,0,0|2,0,0]=4 7890 B16R1.20527 O=S(=O)(C=Cc1ccccc1)NCCCF 40a_100015189416_100011098038 [0,2,0,0,0,0|2,0,0]=4 7891 B16R1.20527 O=S(=O)(C=Cc1ccccc1)NCCCO 40a_100000182051_100011098038 [0,2,0,0,0,0|1,0,0]=3 7892 B16R1.78 CCCNC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000183358 [0,2,0,0,0,0|1,0,1]=4 7893 B16R1.78 CCCNC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000183358 [0,2,0,0,0,0|1,0,1]=4 7894 B16R1.78 CCCNC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000183358 [0,2,0,0,0,0|1,0,1]=4 7895 B16R1.78 CCCNC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000183358 [0,2,0,0,0,0|1,0,1]=4 7896 B16R1.78 CCCNC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000183358 [0,2,0,0,0,0|1,0,1]=4 7897 B16R1.78 CCCNC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000183358 [0,2,0,0,0,0|1,0,1]=4 7898 B16R1.78 C[C@@H](NC(=O)NCCO)c1ccc(cc1)Br 2708a_100000720352_100000210304 [0,2,0,0,0,0|1,0,1]=4 7899 B16R1.78 C[C@@H](NC(=O)NCCO)c1ccc(cc1)Br 273464a_100000210304_100000720352 [0,2,0,0,0,0|1,0,1]=4 7900 B16R1.78 C[C@@H](NC(=O)NCCO)c1ccc(cc1)Br 273464a_100000720352_100000210304 [0,2,0,0,0,0|1,0,1]=4 7901 B16R1.78 C[C@@H](NC(=O)NCCO)c1ccc(cc1)Br 512a_100000720352_100000210304 [0,2,0,0,0,0|1,0,1]=4 7902 B16R1.78 C[C@@H](NC(=O)NCCO)c1ccc(cc1)Cl 2708a_100015205461_100000210304 [0,2,0,0,0,0|1,0,1]=4 7903 B16R1.78 C[C@@H](NC(=O)NCCO)c1ccc(cc1)Cl 273464a_100000210304_100015205461 [0,2,0,0,0,0|1,0,1]=4 7904 B16R1.78 C[C@@H](NC(=O)NCCO)c1ccc(cc1)Cl 273464a_100015205461_100000210304 [0,2,0,0,0,0|1,0,1]=4 7905 B16R1.78 C[C@@H](NC(=O)NCCO)c1ccc(cc1)Cl 512a_100015205461_100000210304 [0,2,0,0,0,0|1,0,1]=4 7906 B16R1.78 C[C@H](NC(=O)NCCO)c1ccc(cc1)F 2708a_100025705893_100000210304 [0,2,0,0,0,0|1,0,1]=4 7907 B16R1.78 C[C@H](NC(=O)NCCO)c1ccc(cc1)F 273464a_100000210304_100025705893 [0,2,0,0,0,0|1,0,1]=4 7908 B16R1.78 C[C@H](NC(=O)NCCO)c1ccc(cc1)F 273464a_100025705893_100000210304 [0,2,0,0,0,0|1,0,1]=4 7909 B16R1.78 C[C@H](NC(=O)NCCO)c1ccc(cc1)F 512a_100025705893_100000210304 [0,2,0,0,0,0|1,0,1]=4 7910 B16R1.78 C[C@H](NC(=O)NCCO)c1ccc(cc1)I 2708a_100000753911_100000210304 [0,2,0,0,0,0|1,0,1]=4 7911 B16R1.78 C[C@H](NC(=O)NCCO)c1ccc(cc1)I 273464a_100000210304_100000753911 [0,2,0,0,0,0|1,0,1]=4 7912 B16R1.78 C[C@H](NC(=O)NCCO)c1ccc(cc1)I 273464a_100000753911_100000210304 [0,2,0,0,0,0|1,0,1]=4 7913 B16R1.78 C[C@H](NC(=O)NCCO)c1ccc(cc1)I 512a_100000753911_100000210304 [0,2,0,0,0,0|1,0,1]=4 7914 B16R1.78 C[C@H](NC(=O)NCCO)c1ccc(cc1)O 2708a_100161106496_100000210304 [0,2,0,0,0,0|1,0,1]=4 7915 B16R1.78 C[C@H](NC(=O)NCCO)c1ccc(cc1)O 273464a_100000210304_100161106496 [0,2,0,0,0,0|1,0,1]=4 7916 B16R1.78 C[C@H](NC(=O)NCCO)c1ccc(cc1)O 273464a_100161106496_100000210304 [0,2,0,0,0,0|1,0,1]=4 7917 B16R1.78 C[C@H](NC(=O)NCCO)c1ccc(cc1)O 512a_100161106496_100000210304 [0,2,0,0,0,0|1,0,1]=4 7918 B16R1.78 Cc1ccc(cc1)C(C)CC(=O)NCCO 240690a_100000210304_100011240733 [0,2,0,0,0,0|0,0,2]=4 7919 B16R1.78 Cc1ccc(cc1)C(C)CC(=O)NCCO 527a_100000210304_100011240733 [0,2,0,0,0,0|0,0,2]=4 7920 B16R1.78 Cc1ccc(cc1)[C@@H](C)NC(=O)NCCO 2708a_100016988085_100000210304 [0,2,0,0,0,0|1,0,1]=4 7921 B16R1.78 Cc1ccc(cc1)[C@@H](C)NC(=O)NCCO 273464a_100000210304_100016988085 [0,2,0,0,0,0|1,0,1]=4 7922 B16R1.78 Cc1ccc(cc1)[C@@H](C)NC(=O)NCCO 273464a_100016988085_100000210304 [0,2,0,0,0,0|1,0,1]=4 7923 B16R1.78 Cc1ccc(cc1)[C@@H](C)NC(=O)NCCO 512a_100016988085_100000210304 [0,2,0,0,0,0|1,0,1]=4 7924 B16R1.79 CC(NC(=O)NCCO)c1cccc(c1)Br 2708a_100020642005_100000210304 [0,2,0,0,0,0|1,0,1]=4 7925 B16R1.79 CC(NC(=O)NCCO)c1cccc(c1)Br 273464a_100000210304_100020642005 [0,2,0,0,0,0|1,0,1]=4 7926 B16R1.79 CC(NC(=O)NCCO)c1cccc(c1)Br 273464a_100020642005_100000210304 [0,2,0,0,0,0|1,0,1]=4 7927 B16R1.79 CC(NC(=O)NCCO)c1cccc(c1)Br 512a_100020642005_100000210304 [0,2,0,0,0,0|1,0,1]=4 7928 B16R1.79 CC(NC(=O)NCCO)c1cccc(c1)Cl 2708a_100102723534_100000210304 [0,2,0,0,0,0|1,0,1]=4 7929 B16R1.79 CC(NC(=O)NCCO)c1cccc(c1)Cl 273464a_100000210304_100102723534 [0,2,0,0,0,0|1,0,1]=4 7930 B16R1.79 CC(NC(=O)NCCO)c1cccc(c1)Cl 273464a_100102723534_100000210304 [0,2,0,0,0,0|1,0,1]=4 7931 B16R1.79 CC(NC(=O)NCCO)c1cccc(c1)Cl 512a_100102723534_100000210304 [0,2,0,0,0,0|1,0,1]=4 7932 B16R1.79 CC(NC(=O)NCCO)c1cccc(c1)O 2708a_100000740644_100000210304 [0,2,0,0,0,0|1,0,1]=4 7933 B16R1.79 CC(NC(=O)NCCO)c1cccc(c1)O 273464a_100000210304_100000740644 [0,2,0,0,0,0|1,0,1]=4 7934 B16R1.79 CC(NC(=O)NCCO)c1cccc(c1)O 273464a_100000740644_100000210304 [0,2,0,0,0,0|1,0,1]=4 7935 B16R1.79 CC(NC(=O)NCCO)c1cccc(c1)O 512a_100000740644_100000210304 [0,2,0,0,0,0|1,0,1]=4 7936 B16R1.79 CCCNC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000183358 [0,2,0,0,0,0|1,0,1]=4 7937 B16R1.79 CCCNC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000183358 [0,2,0,0,0,0|1,0,1]=4 7938 B16R1.79 CCCNC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000183358 [0,2,0,0,0,0|1,0,1]=4 7939 B16R1.79 CCCNC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000183358 [0,2,0,0,0,0|1,0,1]=4 7940 B16R1.79 CCCNC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000183358 [0,2,0,0,0,0|1,0,1]=4 7941 B16R1.79 CCCNC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000183358 [0,2,0,0,0,0|1,0,1]=4 7942 B16R1.79 C[C@@H](NC(=O)NCCO)c1cccc(c1)F 2708a_100015193778_100000210304 [0,2,0,0,0,0|1,0,1]=4 7943 B16R1.79 C[C@@H](NC(=O)NCCO)c1cccc(c1)F 273464a_100000210304_100015193778 [0,2,0,0,0,0|1,0,1]=4 7944 B16R1.79 C[C@@H](NC(=O)NCCO)c1cccc(c1)F 273464a_100015193778_100000210304 [0,2,0,0,0,0|1,0,1]=4 7945 B16R1.79 C[C@@H](NC(=O)NCCO)c1cccc(c1)F 512a_100015193778_100000210304 [0,2,0,0,0,0|1,0,1]=4 7946 B16R1.79 Cc1cccc(c1)[C@@H](C)NC(=O)NCCO 2708a_100000698126_100000210304 [0,2,0,0,0,0|1,0,1]=4 7947 B16R1.79 Cc1cccc(c1)[C@@H](C)NC(=O)NCCO 273464a_100000210304_100000698126 [0,2,0,0,0,0|1,0,1]=4 7948 B16R1.79 Cc1cccc(c1)[C@@H](C)NC(=O)NCCO 273464a_100000698126_100000210304 [0,2,0,0,0,0|1,0,1]=4 7949 B16R1.79 Cc1cccc(c1)[C@@H](C)NC(=O)NCCO 512a_100000698126_100000210304 [0,2,0,0,0,0|1,0,1]=4 7950 B16R1.79 O=C(C[C@H](O)c1cccc(c1)Cl)NCCO 240690a_100000210304_100010423400 [0,2,0,0,0,0|0,0,2]=4 7951 B16R1.847 C#CC(C)NC(=O)C=C(C)c1ccccc1 11a_100000707721_100000743005 [0,2,0,0,0,0|1,0,1]=4 7952 B16R1.847 C#CC(C)NC(=O)C=C(C)c1ccccc1 1626a_100000707721_100000743005 [0,2,0,0,0,0|1,0,1]=4 7953 B16R1.847 C#CC(C)NC(=O)C=C(C)c1ccccc1 240690a_100000707721_100000743005 [0,2,0,0,0,0|1,0,1]=4 7954 B16R1.847 C#CC(C)NC(=O)C=C(C)c1ccccc1 527a_100000707721_100000743005 [0,2,0,0,0,0|1,0,1]=4 7955 B16R1.847 CC(=CC(=O)C[C@@H](C)CO)c1ccccc1 1458a_100000743005_100000059175 [0,2,0,0,0,0|1,0,0]=3 7956 B16R1.847 CC(=CC(=O)NC(C)C#N)c1ccccc1 11a_100000737613_100000743005 [0,2,0,0,0,0|1,0,1]=4 7957 B16R1.847 CC(=CC(=O)NC(C)C#N)c1ccccc1 1626a_100000737613_100000743005 [0,2,0,0,0,0|1,0,1]=4 7958 B16R1.847 CC(=CC(=O)NC(C)C#N)c1ccccc1 527a_100000737613_100000743005 [0,2,0,0,0,0|1,0,1]=4 7959 B16R1.847 CC(=CC(=O)N[C@H](C)CF)c1ccccc1 11a_100102880703_100000743005 [0,2,0,0,0,0|1,0,0]=3 7960 B16R1.847 CC(=CC(=O)N[C@H](C)CF)c1ccccc1 1626a_100102880703_100000743005 [0,2,0,0,0,0|1,0,0]=3 7961 B16R1.847 CC(=CC(=O)N[C@H](C)CF)c1ccccc1 240690a_100102880703_100000743005 [0,2,0,0,0,0|1,0,0]=3 7962 B16R1.847 CC(=CC(=O)N[C@H](C)CF)c1ccccc1 527a_100102880703_100000743005 [0,2,0,0,0,0|1,0,0]=3 7963 B16R1.847 CC(=CC(=O)N[C@H](C)CO)c1ccccc1 240690a_100000737577_100000743005 [0,2,0,0,0,0|0,0,0]=2 7964 B16R1.847 CC(=CC(=O)N[C@H](C)CO)c1ccccc1 527a_100000737577_100000743005 [0,2,0,0,0,0|0,0,0]=2 7965 B16R1.847 CC(CC(=O)N[C@H](C)CO)c1ccccc1 240690a_100000737577_100000183687 [0,2,0,0,0,0|0,0,2]=4 7966 B16R1.847 CC(CC(=O)N[C@H](C)CO)c1ccccc1 527a_100000737577_100000183687 [0,2,0,0,0,0|0,0,2]=4 7967 B16R1.847 CCC(C)CC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000748023 [0,2,0,0,0,0|2,0,0]=4 7968 B16R1.847 CCC(C)NC(=O)C=C(C)c1ccccc1 11a_100000209981_100000743005 [0,2,0,0,0,0|1,0,0]=3 7969 B16R1.847 CCC(C)NC(=O)C=C(C)c1ccccc1 1626a_100000209981_100000743005 [0,2,0,0,0,0|1,0,0]=3 7970 B16R1.847 CCC(C)NC(=O)C=C(C)c1ccccc1 240690a_100000209981_100000743005 [0,2,0,0,0,0|1,0,0]=3 7971 B16R1.847 CCC(C)NC(=O)C=C(C)c1ccccc1 527a_100000209981_100000743005 [0,2,0,0,0,0|1,0,0]=3 7972 B16R1.847 CCC(C)NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000182745 [0,2,0,0,0,0|1,0,1]=4 7973 B16R1.847 CCC(O)CC(=O)C=C(C)c1ccccc1 1458a_100000743005_100011218378 [0,2,0,0,0,0|2,0,0]=4 7974 B16R1.847 CC[C@H](C)CC(=O)C=C(C)c1ccccc1 1458a_100000743005_100009816398 [0,2,0,0,0,0|2,0,0]=4 7975 B16R1.847 C[C@H](CO)NC(=O)CC(O)c1ccccc1 240690a_100000737577_100000690199 [0,2,0,0,0,0|0,0,2]=4 7976 B16R1.847 C[C@H](CO)NC(=O)CN(C)c1ccccc1 240690a_100000737577_100000745425 [0,2,0,0,0,0|1,0,1]=4 7977 B16R1.847 C[C@H](CO)NC(=O)CN(C)c1ccccc1 527a_100000737577_100000745425 [0,2,0,0,0,0|1,0,1]=4 7978 B16R1.847 C[C@H](CO)NC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100000737577 [0,2,0,0,0,0|1,0,1]=4 7979 B16R1.847 C[C@H](CO)NC(=O)N[C@H](C)c1ccccc1 273464a_100000737577_100000751104 [0,2,0,0,0,0|1,0,1]=4 7980 B16R1.847 C[C@H](CO)NC(=O)N[C@H](C)c1ccccc1 512a_100000737577_100000751104 [0,2,0,0,0,0|1,0,1]=4 7981 B16R1.847 C[C@H](CO)NC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100000737577 [0,2,0,0,0,0|1,0,1]=4 7982 B16R1.912 C#CCN(C)C(=O)C=C(C)c1ccccc1 11a_100000225692_100000743005 [0,2,0,0,0,0|1,0,1]=4 7983 B16R1.912 C#CCN(C)C(=O)C=C(C)c1ccccc1 1626a_100000225692_100000743005 [0,2,0,0,0,0|1,0,1]=4 7984 B16R1.912 C#CCN(C)C(=O)C=C(C)c1ccccc1 527a_100000225692_100000743005 [0,2,0,0,0,0|1,0,1]=4 7985 B16R1.912 C=CCN(C)C(=O)C=C(C)c1ccccc1 11a_100000225617_100000743005 [0,2,0,0,0,0|1,0,1]=4 7986 B16R1.912 C=CCN(C)C(=O)C=C(C)c1ccccc1 1626a_100000225617_100000743005 [0,2,0,0,0,0|1,0,1]=4 7987 B16R1.912 C=CCN(C)C(=O)C=C(C)c1ccccc1 240690a_100000225617_100000743005 [0,2,0,0,0,0|1,0,1]=4 7988 B16R1.912 C=CCN(C)C(=O)C=C(C)c1ccccc1 527a_100000225617_100000743005 [0,2,0,0,0,0|1,0,1]=4 7989 B16R1.912 CC(=CC(=O)C(C)CCO)c1ccccc1 1458a_100000743005_100009893172 [0,2,0,0,0,0|1,0,0]=3 7990 B16R1.912 CC(=CC(=O)N(C)CC#N)c1ccccc1 11a_100000748184_100000743005 [0,2,0,0,0,0|1,0,1]=4 7991 B16R1.912 CC(=CC(=O)N(C)CC#N)c1ccccc1 1626a_100000748184_100000743005 [0,2,0,0,0,0|1,0,1]=4 7992 B16R1.912 CC(=CC(=O)N(C)CCO)c1ccccc1 240690a_100000210263_100000743005 [0,2,0,0,0,0|0,0,0]=2 7993 B16R1.912 CC(=CC(=O)N(C)CCO)c1ccccc1 527a_100000210263_100000743005 [0,2,0,0,0,0|0,0,0]=2 7994 B16R1.912 CC(CC(=O)N(C)CCO)c1ccccc1 240690a_100000210263_100000183687 [0,2,0,0,0,0|0,0,2]=4 7995 B16R1.912 CC(CC(=O)N(C)CCO)c1ccccc1 527a_100000210263_100000183687 [0,2,0,0,0,0|0,0,2]=4 7996 B16R1.912 CCCC(C)C(=O)C=C(C)c1ccccc1 1458a_100000743005_100000766640 [0,2,0,0,0,0|2,0,0]=4 7997 B16R1.912 CCCN(C)C(=O)C=C(C)c1ccccc1 11a_100000747261_100000743005 [0,2,0,0,0,0|1,0,0]=3 7998 B16R1.912 CCCN(C)C(=O)C=C(C)c1ccccc1 1626a_100000747261_100000743005 [0,2,0,0,0,0|1,0,0]=3 7999 B16R1.912 CCCN(C)C(=O)C=C(C)c1ccccc1 240690a_100000747261_100000743005 [0,2,0,0,0,0|1,0,0]=3 8000 B16R1.912 CCCN(C)C(=O)C=C(C)c1ccccc1 527a_100000747261_100000743005 [0,2,0,0,0,0|1,0,0]=3 8001 B16R1.912 CN(CCO)C(=O)CC(O)c1ccccc1 240690a_100000210263_100000690199 [0,2,0,0,0,0|0,0,2]=4 8002 B16R1.912 CN(CCO)C(=O)CN(C)c1ccccc1 240690a_100000210263_100000745425 [0,2,0,0,0,0|1,0,1]=4 8003 B16R1.912 CN(CCO)C(=O)CN(C)c1ccccc1 527a_100000210263_100000745425 [0,2,0,0,0,0|1,0,1]=4 8004 B16R1.912 C[C@@H](NC(=O)N(C)CCO)c1ccccc1 2708a_100000751104_100000210263 [0,2,0,0,0,0|1,0,1]=4 8005 B16R1.912 C[C@@H](NC(=O)N(C)CCO)c1ccccc1 273464a_100000751104_100000210263 [0,2,0,0,0,0|1,0,1]=4 8006 B16R1.1244 CC(c1ccccc1)N(C)C(=O)NCCO 273464a_100000210304_100000195388 [0,2,0,0,0,0|1,0,1]=4 8007 B16R1.1244 CCCNC(=O)C(=O)C(C)c1ccccc1 1458a_200011297150_100000230085 [0,2,0,0,0,0|1,0,1]=4 8008 B16R1.1244 CCCNC(=O)C(=O)N(C)c1ccccc1 1626a_100000210012_200011297150 [0,2,0,0,0,0|2,0,0]=4 8009 B16R1.1244 CCCNC(=O)C(=O)N(C)c1ccccc1 1626a_100020643023_100011297159 [0,2,0,0,0,0|2,0,0]=4 8010 B16R1.1244 CCCNC(=O)C(=O)N(C)c1ccccc1 22a_100000210012_200011297150 [0,2,0,0,0,0|2,0,0]=4 8011 B16R1.1244 CCCNC(=O)C(=O)N(C)c1ccccc1 240690a_100020643023_100011297159 [0,2,0,0,0,0|2,0,0]=4 8012 B16R1.1244 CCCNC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000230305 [0,2,0,0,0,0|1,0,1]=4 8013 B16R1.1244 CN(C(=O)C(=O)CCCO)c1ccccc1 1458a_100011297159_100011215043 [0,2,0,0,0,0|2,0,0]=4 8014 B16R1.1244 CN(C(=O)C(=O)NCCF)c1ccccc1 1626a_100000724931_100011297159 [0,2,0,0,0,0|2,0,0]=4 8015 B16R1.1244 CN(C(=O)C(=O)NCCF)c1ccccc1 240690a_100000724931_100011297159 [0,2,0,0,0,0|2,0,0]=4 8016 B16R1.1244 CN(C(=O)C(=O)NCCO)c1ccccc1 240690a_100000210304_100011297159 [0,2,0,0,0,0|1,0,0]=3 8017 B16R1.1495 CC(C)(CC(=O)NCCO)c1ccccc1 240690a_100000210304_100011409233 [0,2,0,0,0,0|0,0,2]=4 8018 B16R1.1495 CC(C)(CC(=O)NCCO)c1ccccc1 527a_100000210304_100011409233 [0,2,0,0,0,0|0,0,2]=4 8019 B16R1.1495 CC(C)(NC(=O)NCCO)c1ccccc1 273464a_100000210304_100011218174 [0,2,0,0,0,0|1,0,1]=4 8020 B16R1.1495 CC(C)(NC(=O)NCCO)c1ccccc1 273464a_100011218174_100000210304 [0,2,0,0,0,0|1,0,1]=4 8021 B16R1.1495 CC(C)(NC(=O)NCCO)c1ccccc1 512a_100011218174_100000210304 [0,2,0,0,0,0|1,0,1]=4 8022 B16R1.1495 O=C(CS(=O)(=O)c1ccccc1)NCCO 240690a_100000210304_100000187771 [0,2,0,0,0,0|1,0,1]=4 8023 B16R1.1495 O=C(CS(=O)(=O)c1ccccc1)NCCO 527a_100000210304_100000187771 [0,2,0,0,0,0|1,0,1]=4 8024 B16R1.4478 CCC(NC(=O)NCCO)c1ccccc1 2708a_100000737752_100000210304 [0,2,0,0,0,0|1,0,1]=4 8025 B16R1.4478 CCC(NC(=O)NCCO)c1ccccc1 273464a_100000210304_100000737752 [0,2,0,0,0,0|1,0,1]=4 8026 B16R1.4478 CCC(NC(=O)NCCO)c1ccccc1 273464a_100000737752_100000210304 [0,2,0,0,0,0|1,0,1]=4 8027 B16R1.4478 CCC(NC(=O)NCCO)c1ccccc1 512a_100000737752_100000210304 [0,2,0,0,0,0|1,0,1]=4 8028 B16R1.4478 N#CC(CC(=O)NCCO)c1ccccc1 240690a_100000210304_200000079825 [0,2,0,0,0,0|0,0,2]=4 8029 B16R1.4478 N#CC(CC(=O)NCCO)c1ccccc1 527a_100000210304_200000079825 [0,2,0,0,0,0|0,0,2]=4 8030 B16R1.4478 N#CC(NC(=O)NCCO)c1ccccc1 273464a_100000210304_100020627052 [0,2,0,0,0,0|1,0,1]=4 8031 B16R1.4478 N#CC(NC(=O)NCCO)c1ccccc1 273464a_100020627052_100000210304 [0,2,0,0,0,0|1,0,1]=4 8032 B16R1.4478 O=C(CC(CO)c1ccccc1)NCCO 240690a_100000210304_106726389045 [0,2,0,0,0,0|0,0,2]=4 8033 B16R1.4478 O=C(NCCO)N[C@H](CO)c1ccccc1 273464a_100000210304_100000751927 [0,2,0,0,0,0|1,0,1]=4 8034 B16R1.4478 O=C(NCCO)N[C@H](CO)c1ccccc1 273464a_100000751927_100000210304 [0,2,0,0,0,0|1,0,1]=4 8035 B16R1.7010 CC(CC(=O)NCCO)c1ccccc1Br 240690a_100000210304_100000743458 [0,2,0,0,0,0|0,0,2]=4 8036 B16R1.7010 CC(CC(=O)NCCO)c1ccccc1Br 527a_100000210304_100000743458 [0,2,0,0,0,0|0,0,2]=4 8037 B16R1.7010 CC(CC(=O)NCCO)c1ccccc1Cl 240690a_100000210304_100012184337 [0,2,0,0,0,0|0,0,2]=4 8038 B16R1.7010 CC(CC(=O)NCCO)c1ccccc1Cl 527a_100000210304_100012184337 [0,2,0,0,0,0|0,0,2]=4 8039 B16R1.7010 CC(NC(=O)NCCO)c1ccccc1Br 2708a_100000181357_100000210304 [0,2,0,0,0,0|1,0,1]=4 8040 B16R1.7010 CC(NC(=O)NCCO)c1ccccc1Br 273464a_100000181357_100000210304 [0,2,0,0,0,0|1,0,1]=4 8041 B16R1.7010 CC(NC(=O)NCCO)c1ccccc1Br 273464a_100000210304_100000181357 [0,2,0,0,0,0|1,0,1]=4 8042 B16R1.7010 CC(NC(=O)NCCO)c1ccccc1Br 512a_100000181357_100000210304 [0,2,0,0,0,0|1,0,1]=4 8043 B16R1.7010 CC(NC(=O)NCCO)c1ccccc1Cl 2708a_100000174978_100000210304 [0,2,0,0,0,0|1,0,1]=4 8044 B16R1.7010 CC(NC(=O)NCCO)c1ccccc1Cl 273464a_100000174978_100000210304 [0,2,0,0,0,0|1,0,1]=4 8045 B16R1.7010 CC(NC(=O)NCCO)c1ccccc1Cl 273464a_100000210304_100000174978 [0,2,0,0,0,0|1,0,1]=4 8046 B16R1.7010 CC(NC(=O)NCCO)c1ccccc1Cl 512a_100000174978_100000210304 [0,2,0,0,0,0|1,0,1]=4 8047 B16R1.7010 CC(NC(=O)NCCO)c1ccccc1F 2708a_100000181408_100000210304 [0,2,0,0,0,0|1,0,1]=4 8048 B16R1.7010 CC(NC(=O)NCCO)c1ccccc1F 273464a_100000181408_100000210304 [0,2,0,0,0,0|1,0,1]=4 8049 B16R1.7010 CC(NC(=O)NCCO)c1ccccc1F 273464a_100000210304_100000181408 [0,2,0,0,0,0|1,0,1]=4 8050 B16R1.7010 CC(NC(=O)NCCO)c1ccccc1F 512a_100000181408_100000210304 [0,2,0,0,0,0|1,0,1]=4 8051 B16R1.7010 CCCNC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000183358 [0,2,0,0,0,0|1,0,1]=4 8052 B16R1.7010 CCCNC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000183358 [0,2,0,0,0,0|1,0,1]=4 8053 B16R1.7010 CCCNC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000183358 [0,2,0,0,0,0|1,0,1]=4 8054 B16R1.7010 CCCNC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000183358 [0,2,0,0,0,0|1,0,1]=4 8055 B16R1.7010 CCCNC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000183358 [0,2,0,0,0,0|1,0,1]=4 8056 B16R1.7010 CCCNC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000183358 [0,2,0,0,0,0|1,0,1]=4 8057 B16R1.7010 CCCNC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000183358 [0,2,0,0,0,0|1,0,1]=4 8058 B16R1.7010 C[C@@H](NC(=O)NCCO)c1ccccc1O 2708a_100025703389_100000210304 [0,2,0,0,0,0|1,0,1]=4 8059 B16R1.7010 C[C@@H](NC(=O)NCCO)c1ccccc1O 273464a_100000210304_100025703389 [0,2,0,0,0,0|1,0,1]=4 8060 B16R1.7010 C[C@@H](NC(=O)NCCO)c1ccccc1O 273464a_100025703389_100000210304 [0,2,0,0,0,0|1,0,1]=4 8061 B16R1.7010 C[C@@H](NC(=O)NCCO)c1ccccc1O 512a_100025703389_100000210304 [0,2,0,0,0,0|1,0,1]=4 8062 B16R1.7010 Cc1ccccc1C(C)NC(=O)NCCO 2708a_100000181355_100000210304 [0,2,0,0,0,0|1,0,1]=4 8063 B16R1.7010 Cc1ccccc1C(C)NC(=O)NCCO 273464a_100000181355_100000210304 [0,2,0,0,0,0|1,0,1]=4 8064 B16R1.7010 Cc1ccccc1C(C)NC(=O)NCCO 273464a_100000210304_100000181355 [0,2,0,0,0,0|1,0,1]=4 8065 B16R1.7010 Cc1ccccc1C(C)NC(=O)NCCO 512a_100000181355_100000210304 [0,2,0,0,0,0|1,0,1]=4 8066 B16R1.7611 C=C(C)CNC(=O)C=C(C)c1ccccc1 11a_100000765925_100000743005 [0,2,0,0,0,0|1,0,1]=4 8067 B16R1.7611 C=C(C)CNC(=O)C=C(C)c1ccccc1 1626a_100000765925_100000743005 [0,2,0,0,0,0|1,0,1]=4 8068 B16R1.7611 C=C(C)CNC(=O)C=C(C)c1ccccc1 240690a_100000765925_100000743005 [0,2,0,0,0,0|1,0,1]=4 8069 B16R1.7611 C=C(C)CNC(=O)C=C(C)c1ccccc1 527a_100000765925_100000743005 [0,2,0,0,0,0|1,0,1]=4 8070 B16R1.7611 CC(=CC(=O)CCC(C)C)c1ccccc1 1458a_100000743005_100000210312 [0,2,0,0,0,0|2,0,0]=4 8071 B16R1.7611 CC(=CC(=O)CCC(C)O)c1ccccc1 1458a_100000743005_100012276601 [0,2,0,0,0,0|1,0,0]=3 8072 B16R1.7611 CC(=CC(=O)NCC(=O)N)c1ccccc1 11a_100000711301_100000743005 [0,2,0,0,0,0|0,0,2]=4 8073 B16R1.7611 CC(=CC(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100000743005 [0,2,0,0,0,0|0,0,2]=4 8074 B16R1.7611 CC(=CC(=O)NCC(=O)N)c1ccccc1 527a_100000711301_100000743005 [0,2,0,0,0,0|0,0,2]=4 8075 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 11a_100000210953_100000743005 [0,2,0,0,0,0|1,0,0]=3 8076 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 1626a_100000210953_100000743005 [0,2,0,0,0,0|1,0,0]=3 8077 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 240690a_100000210953_100000743005 [0,2,0,0,0,0|1,0,0]=3 8078 B16R1.7611 CC(=CC(=O)NCC(C)C)c1ccccc1 527a_100000210953_100000743005 [0,2,0,0,0,0|1,0,0]=3 8079 B16R1.7611 CC(=CC(=O)NCC(C)O)c1ccccc1 11a_100000210904_100000743005 [0,2,0,0,0,0|0,0,0]=2 8080 B16R1.7611 CC(=CC(=O)NCC(C)O)c1ccccc1 240690a_100000210904_100000743005 [0,2,0,0,0,0|0,0,0]=2 8081 B16R1.7611 CC(=CC(=O)NCC(C)O)c1ccccc1 527a_100000210904_100000743005 [0,2,0,0,0,0|0,0,0]=2 8082 B16R1.7611 CC(=CC(=O)NCC(F)F)c1ccccc1 11a_100000765723_100000743005 [0,2,0,0,0,0|1,0,0]=3 8083 B16R1.7611 CC(=CC(=O)NCC(F)F)c1ccccc1 1626a_100000765723_100000743005 [0,2,0,0,0,0|1,0,0]=3 8084 B16R1.7611 CC(=CC(=O)NCC(F)F)c1ccccc1 240690a_100000765723_100000743005 [0,2,0,0,0,0|1,0,0]=3 8085 B16R1.7611 CC(=CC(=O)NCC(F)F)c1ccccc1 527a_100000765723_100000743005 [0,2,0,0,0,0|1,0,0]=3 8086 B16R1.7611 CC(=CC(=O)NNC(C)C)c1ccccc1 22a_100000741168_100000743005 [0,2,0,0,0,0|2,0,0]=4 8087 B16R1.7611 CC(C)CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183291 [0,2,0,0,0,0|1,0,1]=4 8088 B16R1.7611 CC(O)CNC(=O)CC(C)c1ccccc1 11a_100000210904_100000183687 [0,2,0,0,0,0|0,0,2]=4 8089 B16R1.7611 CC(O)CNC(=O)CC(C)c1ccccc1 240690a_100000210904_100000183687 [0,2,0,0,0,0|0,0,2]=4 8090 B16R1.7611 CC(O)CNC(=O)CC(C)c1ccccc1 527a_100000210904_100000183687 [0,2,0,0,0,0|0,0,2]=4 8091 B16R1.7611 CC(O)CNC(=O)CC(O)c1ccccc1 240690a_100000210904_100000690199 [0,2,0,0,0,0|0,0,2]=4 8092 B16R1.7611 CC(O)CNC(=O)CN(C)c1ccccc1 240690a_100000210904_100000745425 [0,2,0,0,0,0|1,0,1]=4 8093 B16R1.7611 CC(O)CNC(=O)CN(C)c1ccccc1 527a_100000210904_100000745425 [0,2,0,0,0,0|1,0,1]=4 8094 B16R1.7611 CC(O)CNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100000210904 [0,2,0,0,0,0|1,0,1]=4 8095 B16R1.7611 CC(O)CNC(=O)N[C@H](C)c1ccccc1 273464a_100000210904_100000751104 [0,2,0,0,0,0|1,0,1]=4 8096 B16R1.7611 CC(O)CNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100000210904 [0,2,0,0,0,0|1,0,1]=4 8097 B16R1.7611 CC(O)CNC(=O)N[C@H](C)c1ccccc1 512a_100000210904_100000751104 [0,2,0,0,0,0|1,0,1]=4 8098 B16R1.7611 CC(O)CNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100000210904 [0,2,0,0,0,0|1,0,1]=4 8099 B16R1.87 C#CCNC(=O)C=Cc1cccc(c1C)F 11a_100000212058_100102526135 [0,2,0,0,0,0|1,0,1]=4 8100 B16R1.87 C#CCNC(=O)C=Cc1cccc(c1C)F 1626a_100000212058_100102526135 [0,2,0,0,0,0|1,0,1]=4 8101 B16R1.87 C#CCNC(=O)C=Cc1cccc(c1C)F 240690a_100000212058_100102526135 [0,2,0,0,0,0|1,0,1]=4 8102 B16R1.87 C#CCNC(=O)C=Cc1cccc(c1Cl)Cl 11a_100000212058_100000184505 [0,2,0,0,0,0|1,0,1]=4 8103 B16R1.87 C#CCNC(=O)C=Cc1cccc(c1Cl)Cl 1626a_100000212058_100000184505 [0,2,0,0,0,0|1,0,1]=4 8104 B16R1.87 C#CCNC(=O)C=Cc1cccc(c1Cl)Cl 240690a_100000212058_100000184505 [0,2,0,0,0,0|1,0,1]=4 8105 B16R1.87 C#CCNC(=O)C=Cc1cccc(c1F)Br 11a_100000212058_100012351547 [0,2,0,0,0,0|1,0,1]=4 8106 B16R1.87 C#CCNC(=O)C=Cc1cccc(c1F)Br 1626a_100000212058_100012351547 [0,2,0,0,0,0|1,0,1]=4 8107 B16R1.87 C#CCNC(=O)C=Cc1cccc(c1F)Br 240690a_100000212058_100012351547 [0,2,0,0,0,0|1,0,1]=4 8108 B16R1.87 C#CCNC(=O)C=Cc1cccc(c1F)Cl 11a_100000212058_100011217667 [0,2,0,0,0,0|1,0,1]=4 8109 B16R1.87 C#CCNC(=O)C=Cc1cccc(c1F)Cl 1626a_100000212058_100011217667 [0,2,0,0,0,0|1,0,1]=4 8110 B16R1.87 C#CCNC(=O)C=Cc1cccc(c1F)Cl 240690a_100000212058_100011217667 [0,2,0,0,0,0|1,0,1]=4 8111 B16R1.87 C#CCNC(=O)C=Cc1cccc(c1F)F 11a_100000212058_100102526107 [0,2,0,0,0,0|1,0,1]=4 8112 B16R1.87 C#CCNC(=O)C=Cc1cccc(c1F)F 1626a_100000212058_100102526107 [0,2,0,0,0,0|1,0,1]=4 8113 B16R1.87 C#CCNC(=O)C=Cc1cccc(c1F)F 240690a_100000212058_100102526107 [0,2,0,0,0,0|1,0,1]=4 8114 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1C)F 1626a_100020586998_100102526135 [0,2,0,0,0,0|1,0,1]=4 8115 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1C)F 240690a_100020586998_100102526135 [0,2,0,0,0,0|1,0,1]=4 8116 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1Cl)Cl 1626a_100020586998_100000184505 [0,2,0,0,0,0|1,0,1]=4 8117 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1Cl)Cl 240690a_100020586998_100000184505 [0,2,0,0,0,0|1,0,1]=4 8118 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1F)Br 1626a_100020586998_100012351547 [0,2,0,0,0,0|1,0,1]=4 8119 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1F)Br 240690a_100020586998_100012351547 [0,2,0,0,0,0|1,0,1]=4 8120 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1F)Cl 1626a_100020586998_100011217667 [0,2,0,0,0,0|1,0,1]=4 8121 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1F)Cl 240690a_100020586998_100011217667 [0,2,0,0,0,0|1,0,1]=4 8122 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1F)F 1626a_100020586998_100102526107 [0,2,0,0,0,0|1,0,1]=4 8123 B16R1.87 C=CCNC(=O)C=Cc1cccc(c1F)F 240690a_100020586998_100102526107 [0,2,0,0,0,0|1,0,1]=4 8124 B16R1.87 CCCCC(=O)C=Cc1cccc(c1C)F 1458a_100102526135_100000210211 [0,2,0,0,0,0|2,0,0]=4 8125 B16R1.87 CCCCC(=O)C=Cc1cccc(c1Cl)Cl 1458a_100000184505_100000210211 [0,2,0,0,0,0|2,0,0]=4 8126 B16R1.87 CCCCC(=O)C=Cc1cccc(c1F)Br 1458a_100012351547_100000210211 [0,2,0,0,0,0|2,0,0]=4 8127 B16R1.87 CCCCC(=O)C=Cc1cccc(c1F)Cl 1458a_100011217667_100000210211 [0,2,0,0,0,0|2,0,0]=4 8128 B16R1.87 CCCCC(=O)C=Cc1cccc(c1F)F 1458a_100102526107_100000210211 [0,2,0,0,0,0|2,0,0]=4 8129 B16R1.87 CCCCC(=O)C=Cc1cccc(c1F)F 6a_100000753312_100000032102 [0,2,0,0,0,0|2,0,0]=4 8130 B16R1.87 CCCCC(=O)C=Cc1cccc(c1F)I 6a_100010202174_100000032102 [0,2,0,0,0,0|2,0,0]=4 8131 B16R1.87 CCCCC(=O)C=Cc1cccc(c1I)F 6a_100010186293_100000032102 [0,2,0,0,0,0|2,0,0]=4 8132 B16R1.87 CCCNC(=O)C=Cc1cccc(c1C)F 11a_100020643023_100102526135 [0,2,0,0,0,0|1,0,0]=3 8133 B16R1.87 CCCNC(=O)C=Cc1cccc(c1C)F 1626a_100020643023_100102526135 [0,2,0,0,0,0|1,0,0]=3 8134 B16R1.87 CCCNC(=O)C=Cc1cccc(c1C)F 240690a_100020643023_100102526135 [0,2,0,0,0,0|1,0,0]=3 8135 B16R1.87 CCCNC(=O)C=Cc1cccc(c1Cl)Cl 11a_100020643023_100000184505 [0,2,0,0,0,0|1,0,0]=3 8136 B16R1.87 CCCNC(=O)C=Cc1cccc(c1Cl)Cl 1626a_100020643023_100000184505 [0,2,0,0,0,0|1,0,0]=3 8137 B16R1.87 CCCNC(=O)C=Cc1cccc(c1Cl)Cl 240690a_100020643023_100000184505 [0,2,0,0,0,0|1,0,0]=3 8138 B16R1.87 CCCNC(=O)C=Cc1cccc(c1F)Br 11a_100020643023_100012351547 [0,2,0,0,0,0|1,0,0]=3 8139 B16R1.87 CCCNC(=O)C=Cc1cccc(c1F)Br 1626a_100020643023_100012351547 [0,2,0,0,0,0|1,0,0]=3 8140 B16R1.87 CCCNC(=O)C=Cc1cccc(c1F)Br 240690a_100020643023_100012351547 [0,2,0,0,0,0|1,0,0]=3 8141 B16R1.87 CCCNC(=O)C=Cc1cccc(c1F)Cl 11a_100020643023_100011217667 [0,2,0,0,0,0|1,0,0]=3 8142 B16R1.87 CCCNC(=O)C=Cc1cccc(c1F)Cl 1626a_100020643023_100011217667 [0,2,0,0,0,0|1,0,0]=3 8143 B16R1.87 CCCNC(=O)C=Cc1cccc(c1F)Cl 240690a_100020643023_100011217667 [0,2,0,0,0,0|1,0,0]=3 8144 B16R1.87 CCCNC(=O)C=Cc1cccc(c1F)F 11a_100020643023_100102526107 [0,2,0,0,0,0|1,0,0]=3 8145 B16R1.87 CCCNC(=O)C=Cc1cccc(c1F)F 1626a_100020643023_100102526107 [0,2,0,0,0,0|1,0,0]=3 8146 B16R1.87 CCCNC(=O)C=Cc1cccc(c1F)F 240690a_100020643023_100102526107 [0,2,0,0,0,0|1,0,0]=3 8147 B16R1.87 CCNNC(=O)C=Cc1cccc(c1C)F 22a_100000756455_100102526135 [0,2,0,0,0,0|2,0,0]=4 8148 B16R1.87 CCNNC(=O)C=Cc1cccc(c1Cl)Cl 22a_100000756455_100000184505 [0,2,0,0,0,0|2,0,0]=4 8149 B16R1.87 CCNNC(=O)C=Cc1cccc(c1F)Br 22a_100000756455_100012351547 [0,2,0,0,0,0|2,0,0]=4 8150 B16R1.87 CCNNC(=O)C=Cc1cccc(c1F)Cl 22a_100000756455_100011217667 [0,2,0,0,0,0|2,0,0]=4 8151 B16R1.87 CCNNC(=O)C=Cc1cccc(c1F)F 22a_100000756455_100102526107 [0,2,0,0,0,0|2,0,0]=4 8152 B16R1.87 Cc1c(cccc1C=CC(=O)CCCF)F 1458a_100102526135_100011934791 [0,2,0,0,0,0|2,0,0]=4 8153 B16R1.87 Cc1c(cccc1C=CC(=O)CCCO)F 1458a_100102526135_100011215043 [0,2,0,0,0,0|1,0,0]=3 8154 B16R1.87 Cc1c(cccc1C=CC(=O)NCC#N)F 1626a_100000734998_100102526135 [0,2,0,0,0,0|1,0,1]=4 8155 B16R1.87 Cc1c(cccc1C=CC(=O)NCCF)F 11a_100000724931_100102526135 [0,2,0,0,0,0|1,0,0]=3 8156 B16R1.87 Cc1c(cccc1C=CC(=O)NCCF)F 1626a_100000724931_100102526135 [0,2,0,0,0,0|1,0,0]=3 8157 B16R1.87 Cc1c(cccc1C=CC(=O)NCCF)F 240690a_100000724931_100102526135 [0,2,0,0,0,0|1,0,0]=3 8158 B16R1.87 Cc1c(cccc1C=CC(=O)NCCO)F 240690a_100000210304_100102526135 [0,2,0,0,0,0|0,0,0]=2 8159 B16R1.87 Cc1c(cccc1CCC(=O)NCCO)F 240690a_100000210304_100000069055 [0,2,0,0,0,0|0,0,2]=4 8160 B16R1.87 Cc1c(cccc1CCC(=O)NCCO)F 527a_100000210304_100000069055 [0,2,0,0,0,0|0,0,2]=4 8161 B16R1.87 Cc1c(cccc1CNC(=O)NCCO)Br 2708a_100000724210_100000210304 [0,2,0,0,0,0|1,0,1]=4 8162 B16R1.87 Cc1c(cccc1CNC(=O)NCCO)Br 273464a_100000210304_100000724210 [0,2,0,0,0,0|1,0,1]=4 8163 B16R1.87 Cc1c(cccc1CNC(=O)NCCO)Br 273464a_100000724210_100000210304 [0,2,0,0,0,0|1,0,1]=4 8164 B16R1.87 Cc1c(cccc1CNC(=O)NCCO)Br 512a_100000724210_100000210304 [0,2,0,0,0,0|1,0,1]=4 8165 B16R1.87 Cc1c(cccc1CNC(=O)NCCO)Cl 2708a_100020639605_100000210304 [0,2,0,0,0,0|1,0,1]=4 8166 B16R1.87 Cc1c(cccc1CNC(=O)NCCO)Cl 273464a_100000210304_100020639605 [0,2,0,0,0,0|1,0,1]=4 8167 B16R1.87 Cc1c(cccc1CNC(=O)NCCO)Cl 273464a_100020639605_100000210304 [0,2,0,0,0,0|1,0,1]=4 8168 B16R1.87 Cc1c(cccc1CNC(=O)NCCO)Cl 512a_100020639605_100000210304 [0,2,0,0,0,0|1,0,1]=4 8169 B16R1.87 Cc1c(cccc1CNC(=O)NCCO)F 2708a_100132306986_100000210304 [0,2,0,0,0,0|1,0,1]=4 8170 B16R1.87 Cc1c(cccc1CNC(=O)NCCO)F 273464a_100000210304_100132306986 [0,2,0,0,0,0|1,0,1]=4 8171 B16R1.87 Cc1c(cccc1CNC(=O)NCCO)F 273464a_100132306986_100000210304 [0,2,0,0,0,0|1,0,1]=4 8172 B16R1.87 Cc1c(cccc1CNC(=O)NCCO)F 512a_100132306986_100000210304 [0,2,0,0,0,0|1,0,1]=4 8173 B16R1.87 Cc1c(cccc1NNC(=O)NCCO)Cl 273464a_100000210304_100000738547 [0,2,0,0,0,0|2,0,0]=4 8174 B16R1.87 Cc1cccc(c1C)CCC(=O)NCCO 240690a_100000210304_100011218151 [0,2,0,0,0,0|0,0,2]=4 8175 B16R1.87 Cc1cccc(c1C)CCC(=O)NCCO 527a_100000210304_100011218151 [0,2,0,0,0,0|0,0,2]=4 8176 B16R1.87 Cc1cccc(c1C)CNC(=O)NCCO 2708a_100011211637_100000210304 [0,2,0,0,0,0|1,0,1]=4 8177 B16R1.87 Cc1cccc(c1C)CNC(=O)NCCO 273464a_100000210304_100011211637 [0,2,0,0,0,0|1,0,1]=4 8178 B16R1.87 Cc1cccc(c1C)CNC(=O)NCCO 273464a_100011211637_100000210304 [0,2,0,0,0,0|1,0,1]=4 8179 B16R1.87 Cc1cccc(c1C)CNC(=O)NCCO 512a_100011211637_100000210304 [0,2,0,0,0,0|1,0,1]=4 8180 B16R1.87 Cc1cccc(c1C)NNC(=O)NCCO 273464a_100000210304_100020604495 [0,2,0,0,0,0|2,0,0]=4 8181 B16R1.87 Cc1cccc(c1C)OCC(=O)NCCO 240690a_100000210304_200000183798 [0,2,0,0,0,0|1,0,1]=4 8182 B16R1.87 Cc1cccc(c1C)OCC(=O)NCCO 527a_100000210304_200000183798 [0,2,0,0,0,0|1,0,1]=4 8183 B16R1.87 Cc1cccc(c1Cl)CNC(=O)NCCO 2708a_100025705714_100000210304 [0,2,0,0,0,0|1,0,1]=4 8184 B16R1.87 Cc1cccc(c1Cl)CNC(=O)NCCO 273464a_100000210304_100025705714 [0,2,0,0,0,0|1,0,1]=4 8185 B16R1.87 Cc1cccc(c1Cl)CNC(=O)NCCO 273464a_100025705714_100000210304 [0,2,0,0,0,0|1,0,1]=4 8186 B16R1.87 Cc1cccc(c1Cl)CNC(=O)NCCO 512a_100025705714_100000210304 [0,2,0,0,0,0|1,0,1]=4 8187 B16R1.87 Cc1cccc(c1F)CNC(=O)NCCO 2708a_100012002060_100000210304 [0,2,0,0,0,0|1,0,1]=4 8188 B16R1.87 Cc1cccc(c1F)CNC(=O)NCCO 273464a_100000210304_100012002060 [0,2,0,0,0,0|1,0,1]=4 8189 B16R1.87 Cc1cccc(c1F)CNC(=O)NCCO 273464a_100012002060_100000210304 [0,2,0,0,0,0|1,0,1]=4 8190 B16R1.87 Cc1cccc(c1F)CNC(=O)NCCO 512a_100012002060_100000210304 [0,2,0,0,0,0|1,0,1]=4 8191 B16R1.87 Cc1cccc(c1O)CNC(=O)NCCO 2708a_100020639391_100000210304 [0,2,0,0,0,0|1,0,1]=4 8192 B16R1.87 Cc1cccc(c1O)CNC(=O)NCCO 273464a_100000210304_100020639391 [0,2,0,0,0,0|1,0,1]=4 8193 B16R1.87 Cc1cccc(c1O)CNC(=O)NCCO 273464a_100020639391_100000210304 [0,2,0,0,0,0|1,0,1]=4 8194 B16R1.87 Cc1cccc(c1O)CNC(=O)NCCO 512a_100020639391_100000210304 [0,2,0,0,0,0|1,0,1]=4 8195 B16R1.87 N#CCNC(=O)C=Cc1cccc(c1Cl)Cl 1626a_100000734998_100000184505 [0,2,0,0,0,0|1,0,1]=4 8196 B16R1.87 N#CCNC(=O)C=Cc1cccc(c1F)Br 1626a_100000734998_100012351547 [0,2,0,0,0,0|1,0,1]=4 8197 B16R1.87 N#CCNC(=O)C=Cc1cccc(c1F)Cl 1626a_100000734998_100011217667 [0,2,0,0,0,0|1,0,1]=4 8198 B16R1.87 N#CCNC(=O)C=Cc1cccc(c1F)F 1626a_100000734998_100102526107 [0,2,0,0,0,0|1,0,1]=4 8199 B16R1.87 O=C(C=Cc1cccc(c1Cl)Cl)CCCF 1458a_100000184505_100011934791 [0,2,0,0,0,0|2,0,0]=4 8200 B16R1.87 O=C(C=Cc1cccc(c1Cl)Cl)CCCO 1458a_100000184505_100011215043 [0,2,0,0,0,0|1,0,0]=3 8201 B16R1.87 O=C(C=Cc1cccc(c1Cl)Cl)NCCF 11a_100000724931_100000184505 [0,2,0,0,0,0|1,0,0]=3 8202 B16R1.87 O=C(C=Cc1cccc(c1Cl)Cl)NCCF 1626a_100000724931_100000184505 [0,2,0,0,0,0|1,0,0]=3 8203 B16R1.87 O=C(C=Cc1cccc(c1Cl)Cl)NCCF 240690a_100000724931_100000184505 [0,2,0,0,0,0|1,0,0]=3 8204 B16R1.87 O=C(C=Cc1cccc(c1Cl)Cl)NCCO 240690a_100000210304_100000184505 [0,2,0,0,0,0|0,0,0]=2 8205 B16R1.87 O=C(C=Cc1cccc(c1F)Br)CCCF 1458a_100012351547_100011934791 [0,2,0,0,0,0|2,0,0]=4 8206 B16R1.87 O=C(C=Cc1cccc(c1F)Br)CCCO 1458a_100012351547_100011215043 [0,2,0,0,0,0|1,0,0]=3 8207 B16R1.87 O=C(C=Cc1cccc(c1F)Br)NCCF 11a_100000724931_100012351547 [0,2,0,0,0,0|1,0,0]=3 8208 B16R1.87 O=C(C=Cc1cccc(c1F)Br)NCCF 1626a_100000724931_100012351547 [0,2,0,0,0,0|1,0,0]=3 8209 B16R1.87 O=C(C=Cc1cccc(c1F)Br)NCCF 240690a_100000724931_100012351547 [0,2,0,0,0,0|1,0,0]=3 8210 B16R1.87 O=C(C=Cc1cccc(c1F)Br)NCCO 240690a_100000210304_100012351547 [0,2,0,0,0,0|0,0,0]=2 8211 B16R1.87 O=C(C=Cc1cccc(c1F)Cl)CCCF 1458a_100011217667_100011934791 [0,2,0,0,0,0|2,0,0]=4 8212 B16R1.87 O=C(C=Cc1cccc(c1F)Cl)CCCO 1458a_100011217667_100011215043 [0,2,0,0,0,0|1,0,0]=3 8213 B16R1.87 O=C(C=Cc1cccc(c1F)Cl)NCCF 11a_100000724931_100011217667 [0,2,0,0,0,0|1,0,0]=3 8214 B16R1.87 O=C(C=Cc1cccc(c1F)Cl)NCCF 1626a_100000724931_100011217667 [0,2,0,0,0,0|1,0,0]=3 8215 B16R1.87 O=C(C=Cc1cccc(c1F)Cl)NCCF 240690a_100000724931_100011217667 [0,2,0,0,0,0|1,0,0]=3 8216 B16R1.87 O=C(C=Cc1cccc(c1F)Cl)NCCO 240690a_100000210304_100011217667 [0,2,0,0,0,0|0,0,0]=2 8217 B16R1.87 O=C(C=Cc1cccc(c1F)F)CCCBr 6a_100000753312_100000685027 [0,2,0,0,0,0|2,0,0]=4 8218 B16R1.87 O=C(C=Cc1cccc(c1F)F)CCCCl 6a_100000753312_100011215641 [0,2,0,0,0,0|2,0,0]=4 8219 B16R1.87 O=C(C=Cc1cccc(c1F)F)CCCF 1458a_100102526107_100011934791 [0,2,0,0,0,0|2,0,0]=4 8220 B16R1.87 O=C(C=Cc1cccc(c1F)F)CCCO 1458a_100102526107_100011215043 [0,2,0,0,0,0|1,0,0]=3 8221 B16R1.87 O=C(C=Cc1cccc(c1F)F)NCCF 11a_100000724931_100102526107 [0,2,0,0,0,0|1,0,0]=3 8222 B16R1.87 O=C(C=Cc1cccc(c1F)F)NCCF 1626a_100000724931_100102526107 [0,2,0,0,0,0|1,0,0]=3 8223 B16R1.87 O=C(C=Cc1cccc(c1F)F)NCCF 240690a_100000724931_100102526107 [0,2,0,0,0,0|1,0,0]=3 8224 B16R1.87 O=C(C=Cc1cccc(c1F)F)NCCO 240690a_100000210304_100102526107 [0,2,0,0,0,0|0,0,0]=2 8225 B16R1.87 O=C(C=Cc1cccc(c1F)I)CCCBr 6a_100010202174_100000685027 [0,2,0,0,0,0|2,0,0]=4 8226 B16R1.87 O=C(C=Cc1cccc(c1F)I)CCCCl 6a_100010202174_100011215641 [0,2,0,0,0,0|2,0,0]=4 8227 B16R1.87 O=C(C=Cc1cccc(c1I)F)CCCBr 6a_100010186293_100000685027 [0,2,0,0,0,0|2,0,0]=4 8228 B16R1.87 O=C(C=Cc1cccc(c1I)F)CCCCl 6a_100010186293_100011215641 [0,2,0,0,0,0|2,0,0]=4 8229 B16R1.87 O=C(CCc1cccc(c1Cl)Cl)NCCO 240690a_100000210304_100000739359 [0,2,0,0,0,0|0,0,2]=4 8230 B16R1.87 O=C(CCc1cccc(c1Cl)Cl)NCCO 527a_100000210304_100000739359 [0,2,0,0,0,0|0,0,2]=4 8231 B16R1.87 O=C(CCc1cccc(c1F)Br)NCCO 240690a_100000210304_100012349569 [0,2,0,0,0,0|0,0,2]=4 8232 B16R1.87 O=C(CCc1cccc(c1F)Br)NCCO 527a_100000210304_100012349569 [0,2,0,0,0,0|0,0,2]=4 8233 B16R1.87 O=C(CCc1cccc(c1F)Cl)NCCO 240690a_100000210304_100012349026 [0,2,0,0,0,0|0,0,2]=4 8234 B16R1.87 O=C(CCc1cccc(c1F)Cl)NCCO 527a_100000210304_100012349026 [0,2,0,0,0,0|0,0,2]=4 8235 B16R1.87 O=C(CCc1cccc(c1F)F)NCCO 240690a_100000210304_100000748811 [0,2,0,0,0,0|0,0,2]=4 8236 B16R1.87 O=C(CCc1cccc(c1F)F)NCCO 527a_100000210304_100000748811 [0,2,0,0,0,0|0,0,2]=4 8237 B16R1.87 O=C(CCc1cccc(c1O)O)NCCO 240690a_100000210304_100009873524 [0,2,0,0,0,0|0,0,2]=4 8238 B16R1.87 O=C(CCc1cccc(c1O)O)NCCO 527a_100000210304_100009873524 [0,2,0,0,0,0|0,0,2]=4 8239 B16R1.87 O=C(COc1cccc(c1Cl)Cl)NCCO 240690a_100000210304_100000191259 [0,2,0,0,0,0|1,0,1]=4 8240 B16R1.87 O=C(COc1cccc(c1Cl)Cl)NCCO 527a_100000210304_100000191259 [0,2,0,0,0,0|1,0,1]=4 8241 B16R1.87 O=C(NCCO)NCc1cccc(c1Br)F 2708a_100020638964_100000210304 [0,2,0,0,0,0|1,0,1]=4 8242 B16R1.87 O=C(NCCO)NCc1cccc(c1Br)F 273464a_100000210304_100020638964 [0,2,0,0,0,0|1,0,1]=4 8243 B16R1.87 O=C(NCCO)NCc1cccc(c1Br)F 273464a_100020638964_100000210304 [0,2,0,0,0,0|1,0,1]=4 8244 B16R1.87 O=C(NCCO)NCc1cccc(c1Br)F 512a_100020638964_100000210304 [0,2,0,0,0,0|1,0,1]=4 8245 B16R1.87 O=C(NCCO)NCc1cccc(c1Cl)Cl 2708a_100011211633_100000210304 [0,2,0,0,0,0|1,0,1]=4 8246 B16R1.87 O=C(NCCO)NCc1cccc(c1Cl)Cl 273464a_100000210304_100011211633 [0,2,0,0,0,0|1,0,1]=4 8247 B16R1.87 O=C(NCCO)NCc1cccc(c1Cl)Cl 273464a_100011211633_100000210304 [0,2,0,0,0,0|1,0,1]=4 8248 B16R1.87 O=C(NCCO)NCc1cccc(c1Cl)Cl 512a_100011211633_100000210304 [0,2,0,0,0,0|1,0,1]=4 8249 B16R1.87 O=C(NCCO)NCc1cccc(c1Cl)F 2708a_100012001614_100000210304 [0,2,0,0,0,0|1,0,1]=4 8250 B16R1.87 O=C(NCCO)NCc1cccc(c1Cl)F 273464a_100000210304_100012001614 [0,2,0,0,0,0|1,0,1]=4 8251 B16R1.87 O=C(NCCO)NCc1cccc(c1Cl)F 273464a_100012001614_100000210304 [0,2,0,0,0,0|1,0,1]=4 8252 B16R1.87 O=C(NCCO)NCc1cccc(c1Cl)F 512a_100012001614_100000210304 [0,2,0,0,0,0|1,0,1]=4 8253 B16R1.87 O=C(NCCO)NCc1cccc(c1F)Br 2708a_100015189953_100000210304 [0,2,0,0,0,0|1,0,1]=4 8254 B16R1.87 O=C(NCCO)NCc1cccc(c1F)Br 273464a_100000210304_100015189953 [0,2,0,0,0,0|1,0,1]=4 8255 B16R1.87 O=C(NCCO)NCc1cccc(c1F)Br 273464a_100015189953_100000210304 [0,2,0,0,0,0|1,0,1]=4 8256 B16R1.87 O=C(NCCO)NCc1cccc(c1F)Br 512a_100015189953_100000210304 [0,2,0,0,0,0|1,0,1]=4 8257 B16R1.87 O=C(NCCO)NCc1cccc(c1F)Cl 2708a_100000764326_100000210304 [0,2,0,0,0,0|1,0,1]=4 8258 B16R1.87 O=C(NCCO)NCc1cccc(c1F)Cl 273464a_100000210304_100000764326 [0,2,0,0,0,0|1,0,1]=4 8259 B16R1.87 O=C(NCCO)NCc1cccc(c1F)Cl 273464a_100000764326_100000210304 [0,2,0,0,0,0|1,0,1]=4 8260 B16R1.87 O=C(NCCO)NCc1cccc(c1F)Cl 512a_100000764326_100000210304 [0,2,0,0,0,0|1,0,1]=4 8261 B16R1.87 O=C(NCCO)NCc1cccc(c1F)F 2708a_100011199105_100000210304 [0,2,0,0,0,0|1,0,1]=4 8262 B16R1.87 O=C(NCCO)NCc1cccc(c1F)F 273464a_100000210304_100011199105 [0,2,0,0,0,0|1,0,1]=4 8263 B16R1.87 O=C(NCCO)NCc1cccc(c1F)F 273464a_100011199105_100000210304 [0,2,0,0,0,0|1,0,1]=4 8264 B16R1.87 O=C(NCCO)NCc1cccc(c1F)F 512a_100011199105_100000210304 [0,2,0,0,0,0|1,0,1]=4 8265 B16R1.87 O=C(NCCO)NCc1cccc(c1F)O 2708a_100025773512_100000210304 [0,2,0,0,0,0|1,0,1]=4 8266 B16R1.87 O=C(NCCO)NCc1cccc(c1F)O 273464a_100000210304_100025773512 [0,2,0,0,0,0|1,0,1]=4 8267 B16R1.87 O=C(NCCO)NCc1cccc(c1F)O 273464a_100025773512_100000210304 [0,2,0,0,0,0|1,0,1]=4 8268 B16R1.87 O=C(NCCO)NCc1cccc(c1F)O 512a_100025773512_100000210304 [0,2,0,0,0,0|1,0,1]=4 8269 B16R1.87 O=C(NCCO)NNc1cccc(c1Br)Cl 273464a_100000210304_100102837889 [0,2,0,0,0,0|2,0,0]=4 8270 B16R1.87 O=C(NCCO)NNc1cccc(c1Cl)Cl 273464a_100000210304_100000009159 [0,2,0,0,0,0|2,0,0]=4 8271 B16R1.87 O=C(NCCO)NNc1cccc(c1Cl)F 273464a_100000210304_100000122369 [0,2,0,0,0,0|2,0,0]=4 8272 B16R1.87 O=C(NCCO)NNc1cccc(c1F)Cl 273464a_100000210304_100000746303 [0,2,0,0,0,0|2,0,0]=4 8273 B16R1.87 O=C(NCCO)NNc1cccc(c1F)F 273464a_100000210304_100020612164 [0,2,0,0,0,0|2,0,0]=4 8274 B16R1.87 O=C(NCCO)NNc1cccc(c1F)F 512a_100020612164_100000210304 [0,2,0,0,0,0|2,0,0]=4 8275 B16R1.659 CC(Oc1cccc(c1)Br)C(=O)NCCO 240690a_100000210304_100000246016 [0,2,0,0,0,0|1,0,1]=4 8276 B16R1.659 CC(Oc1cccc(c1)Br)C(=O)NCCO 527a_100000210304_100000246016 [0,2,0,0,0,0|1,0,1]=4 8277 B16R1.659 CC(Oc1cccc(c1)Cl)C(=O)NCCO 240690a_100000210304_100000185161 [0,2,0,0,0,0|1,0,1]=4 8278 B16R1.659 CC(Oc1cccc(c1)Cl)C(=O)NCCO 527a_100000210304_100000185161 [0,2,0,0,0,0|1,0,1]=4 8279 B16R1.659 CCCNC(=O)C(=O)Cc1cccc(c1)Br 1458a_200011297150_100000211773 [0,2,0,0,0,0|1,0,1]=4 8280 B16R1.659 CCCNC(=O)C(=O)Cc1cccc(c1)C 1458a_200011297150_100000211840 [0,2,0,0,0,0|1,0,1]=4 8281 B16R1.659 CCCNC(=O)C(=O)Cc1cccc(c1)Cl 1458a_200011297150_100000181238 [0,2,0,0,0,0|1,0,1]=4 8282 B16R1.659 CCCNC(=O)C(=O)Cc1cccc(c1)F 1458a_200011297150_100000230114 [0,2,0,0,0,0|1,0,1]=4 8283 B16R1.659 CCCNC(=O)C(=O)Cc1cccc(c1)I 1458a_200011297150_100011218688 [0,2,0,0,0,0|1,0,1]=4 8284 B16R1.659 CCCNC(=O)C(=O)Cc1cccc(c1)O 1458a_200011297150_100011660834 [0,2,0,0,0,0|1,0,1]=4 8285 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)Br 1626a_100000210019_200011297150 [0,2,0,0,0,0|2,0,0]=4 8286 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)Br 22a_100000210019_200011297150 [0,2,0,0,0,0|2,0,0]=4 8287 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)Br 527a_100000210019_200011297150 [0,2,0,0,0,0|2,0,0]=4 8288 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)C 1626a_100000188690_200011297150 [0,2,0,0,0,0|2,0,0]=4 8289 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)C 22a_100000188690_200011297150 [0,2,0,0,0,0|2,0,0]=4 8290 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)C 527a_100000188690_200011297150 [0,2,0,0,0,0|2,0,0]=4 8291 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_200011297150 [0,2,0,0,0,0|2,0,0]=4 8292 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_200011297150 [0,2,0,0,0,0|2,0,0]=4 8293 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)Cl 240690a_100020643023_200011297299 [0,2,0,0,0,0|2,0,0]=4 8294 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)F 1626a_100000210047_200011297150 [0,2,0,0,0,0|2,0,0]=4 8295 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)F 22a_100000210047_200011297150 [0,2,0,0,0,0|2,0,0]=4 8296 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)F 240690a_100020643023_200011297300 [0,2,0,0,0,0|2,0,0]=4 8297 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)F 527a_100000210047_200011297150 [0,2,0,0,0,0|2,0,0]=4 8298 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)I 1626a_100000211102_200011297150 [0,2,0,0,0,0|2,0,0]=4 8299 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)I 22a_100000211102_200011297150 [0,2,0,0,0,0|2,0,0]=4 8300 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)I 527a_100000211102_200011297150 [0,2,0,0,0,0|2,0,0]=4 8301 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)O 1626a_100000210217_200011297150 [0,2,0,0,0,0|2,0,0]=4 8302 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)O 22a_100000210217_200011297150 [0,2,0,0,0,0|2,0,0]=4 8303 B16R1.659 CCCNC(=O)C(=O)Nc1cccc(c1)O 527a_100000210217_200011297150 [0,2,0,0,0,0|2,0,0]=4 8304 B16R1.659 CN(Cc1cccc(c1)Br)C(=O)NCCO 273464a_100000210304_100000187585 [0,2,0,0,0,0|1,0,1]=4 8305 B16R1.659 CN(Cc1cccc(c1)Cl)C(=O)NCCO 273464a_100000210304_100020629429 [0,2,0,0,0,0|1,0,1]=4 8306 B16R1.659 CN(Cc1cccc(c1)F)C(=O)NCCO 273464a_100000210304_100000184398 [0,2,0,0,0,0|1,0,1]=4 8307 B16R1.659 CN(Cc1cccc(c1)O)C(=O)NCCO 273464a_100000210304_100000207540 [0,2,0,0,0,0|1,0,1]=4 8308 B16R1.659 Cc1cccc(c1)CN(C)C(=O)NCCO 273464a_100000210304_102495364743 [0,2,0,0,0,0|1,0,1]=4 8309 B16R1.659 Cc1cccc(c1)OC(C)C(=O)NCCO 240690a_100000210304_100000183885 [0,2,0,0,0,0|1,0,1]=4 8310 B16R1.659 Cc1cccc(c1)OC(C)C(=O)NCCO 527a_100000210304_100000183885 [0,2,0,0,0,0|1,0,1]=4 8311 B16R1.659 O=C(CCCO)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_100011215043 [0,2,0,0,0,0|2,0,0]=4 8312 B16R1.659 O=C(CCCO)C(=O)Nc1cccc(c1)F 1458a_200011297300_100011215043 [0,2,0,0,0,0|2,0,0]=4 8313 B16R1.659 O=C(NCCF)C(=O)Nc1cccc(c1)Cl 240690a_100000724931_200011297299 [0,2,0,0,0,0|2,0,0]=4 8314 B16R1.659 O=C(NCCF)C(=O)Nc1cccc(c1)F 240690a_100000724931_200011297300 [0,2,0,0,0,0|2,0,0]=4 8315 B16R1.659 O=C(NCCO)C(=O)Nc1cccc(c1)Cl 240690a_100000210304_200011297299 [0,2,0,0,0,0|1,0,0]=3 8316 B16R1.659 O=C(NCCO)C(=O)Nc1cccc(c1)F 240690a_100000210304_200011297300 [0,2,0,0,0,0|1,0,0]=3 8317 B16R1.659 O=C(NCCO)C(O)Cc1cccc(c1)Br 240690a_100000210304_100012362086 [0,2,0,0,0,0|0,0,2]=4 8318 B16R1.659 O=C(NCCO)[C@@H](O)Cc1cccc(c1)F 240690a_100000210304_200016142683 [0,2,0,0,0,0|0,0,2]=4 8319 B16R1.851 C#CC(C)NC(=O)C=Cc1cccc(c1)Br 11a_100000707721_100016258244 [0,2,0,0,0,0|1,0,1]=4 8320 B16R1.851 C#CC(C)NC(=O)C=Cc1cccc(c1)Br 1626a_100000707721_100016258244 [0,2,0,0,0,0|1,0,1]=4 8321 B16R1.851 C#CC(C)NC(=O)C=Cc1cccc(c1)Br 240690a_100000707721_100016258244 [0,2,0,0,0,0|1,0,1]=4 8322 B16R1.851 C#CC(C)NC(=O)C=Cc1cccc(c1)C 11a_100000707721_100000690095 [0,2,0,0,0,0|1,0,1]=4 8323 B16R1.851 C#CC(C)NC(=O)C=Cc1cccc(c1)C 1626a_100000707721_100000690095 [0,2,0,0,0,0|1,0,1]=4 8324 B16R1.851 C#CC(C)NC(=O)C=Cc1cccc(c1)C 240690a_100000707721_100000690095 [0,2,0,0,0,0|1,0,1]=4 8325 B16R1.851 C#CC(C)NC(=O)C=Cc1cccc(c1)Cl 11a_100000707721_100000184502 [0,2,0,0,0,0|1,0,1]=4 8326 B16R1.851 C#CC(C)NC(=O)C=Cc1cccc(c1)Cl 1626a_100000707721_100000184502 [0,2,0,0,0,0|1,0,1]=4 8327 B16R1.851 C#CC(C)NC(=O)C=Cc1cccc(c1)Cl 240690a_100000707721_100000184502 [0,2,0,0,0,0|1,0,1]=4 8328 B16R1.851 C#CC(C)NC(=O)C=Cc1cccc(c1)F 11a_100000707721_100000718793 [0,2,0,0,0,0|1,0,1]=4 8329 B16R1.851 C#CC(C)NC(=O)C=Cc1cccc(c1)F 1626a_100000707721_100000718793 [0,2,0,0,0,0|1,0,1]=4 8330 B16R1.851 C#CC(C)NC(=O)C=Cc1cccc(c1)F 240690a_100000707721_100000718793 [0,2,0,0,0,0|1,0,1]=4 8331 B16R1.851 C#CC(C)NC(=O)C=Cc1cccc(c1)I 11a_100000707721_100020647043 [0,2,0,0,0,0|1,0,1]=4 8332 B16R1.851 C#CC(C)NC(=O)C=Cc1cccc(c1)I 1626a_100000707721_100020647043 [0,2,0,0,0,0|1,0,1]=4 8333 B16R1.851 C#CC(C)NC(=O)C=Cc1cccc(c1)I 240690a_100000707721_100020647043 [0,2,0,0,0,0|1,0,1]=4 8334 B16R1.851 CC(C#N)NC(=O)C=Cc1cccc(c1)Br 11a_100000737613_100016258244 [0,2,0,0,0,0|1,0,1]=4 8335 B16R1.851 CC(C#N)NC(=O)C=Cc1cccc(c1)Br 1626a_100000737613_100016258244 [0,2,0,0,0,0|1,0,1]=4 8336 B16R1.851 CC(C#N)NC(=O)C=Cc1cccc(c1)Cl 11a_100000737613_100000184502 [0,2,0,0,0,0|1,0,1]=4 8337 B16R1.851 CC(C#N)NC(=O)C=Cc1cccc(c1)Cl 1626a_100000737613_100000184502 [0,2,0,0,0,0|1,0,1]=4 8338 B16R1.851 CC(C#N)NC(=O)C=Cc1cccc(c1)F 11a_100000737613_100000718793 [0,2,0,0,0,0|1,0,1]=4 8339 B16R1.851 CC(C#N)NC(=O)C=Cc1cccc(c1)F 1626a_100000737613_100000718793 [0,2,0,0,0,0|1,0,1]=4 8340 B16R1.851 CC(C#N)NC(=O)C=Cc1cccc(c1)I 11a_100000737613_100020647043 [0,2,0,0,0,0|1,0,1]=4 8341 B16R1.851 CC(C#N)NC(=O)C=Cc1cccc(c1)I 1626a_100000737613_100020647043 [0,2,0,0,0,0|1,0,1]=4 8342 B16R1.851 CCC(C)CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000748023 [0,2,0,0,0,0|2,0,0]=4 8343 B16R1.851 CCC(C)CC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011710205 [0,2,0,0,0,0|2,0,0]=4 8344 B16R1.851 CCC(C)CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000748023 [0,2,0,0,0,0|2,0,0]=4 8345 B16R1.851 CCC(C)CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000748023 [0,2,0,0,0,0|2,0,0]=4 8346 B16R1.851 CCC(C)CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000748023 [0,2,0,0,0,0|2,0,0]=4 8347 B16R1.851 CCC(C)CC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011710205 [0,2,0,0,0,0|2,0,0]=4 8348 B16R1.851 CCC(C)CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000748023 [0,2,0,0,0,0|2,0,0]=4 8349 B16R1.851 CCC(C)CC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011710205 [0,2,0,0,0,0|2,0,0]=4 8350 B16R1.851 CCC(C)NC(=O)C=Cc1cccc(c1)Br 11a_100000209981_100016258244 [0,2,0,0,0,0|1,0,0]=3 8351 B16R1.851 CCC(C)NC(=O)C=Cc1cccc(c1)Br 1626a_100000209981_100016258244 [0,2,0,0,0,0|1,0,0]=3 8352 B16R1.851 CCC(C)NC(=O)C=Cc1cccc(c1)Br 240690a_100000209981_100016258244 [0,2,0,0,0,0|1,0,0]=3 8353 B16R1.851 CCC(C)NC(=O)C=Cc1cccc(c1)C 11a_100000209981_100000690095 [0,2,0,0,0,0|1,0,0]=3 8354 B16R1.851 CCC(C)NC(=O)C=Cc1cccc(c1)C 1626a_100000209981_100000690095 [0,2,0,0,0,0|1,0,0]=3 8355 B16R1.851 CCC(C)NC(=O)C=Cc1cccc(c1)C 240690a_100000209981_100000690095 [0,2,0,0,0,0|1,0,0]=3 8356 B16R1.851 CCC(C)NC(=O)C=Cc1cccc(c1)Cl 11a_100000209981_100000184502 [0,2,0,0,0,0|1,0,0]=3 8357 B16R1.851 CCC(C)NC(=O)C=Cc1cccc(c1)Cl 1626a_100000209981_100000184502 [0,2,0,0,0,0|1,0,0]=3 8358 B16R1.851 CCC(C)NC(=O)C=Cc1cccc(c1)Cl 240690a_100000209981_100000184502 [0,2,0,0,0,0|1,0,0]=3 8359 B16R1.851 CCC(C)NC(=O)C=Cc1cccc(c1)F 11a_100000209981_100000718793 [0,2,0,0,0,0|1,0,0]=3 8360 B16R1.851 CCC(C)NC(=O)C=Cc1cccc(c1)F 1626a_100000209981_100000718793 [0,2,0,0,0,0|1,0,0]=3 8361 B16R1.851 CCC(C)NC(=O)C=Cc1cccc(c1)F 240690a_100000209981_100000718793 [0,2,0,0,0,0|1,0,0]=3 8362 B16R1.851 CCC(C)NC(=O)C=Cc1cccc(c1)I 11a_100000209981_100020647043 [0,2,0,0,0,0|1,0,0]=3 8363 B16R1.851 CCC(C)NC(=O)C=Cc1cccc(c1)I 1626a_100000209981_100020647043 [0,2,0,0,0,0|1,0,0]=3 8364 B16R1.851 CCC(C)NC(=O)C=Cc1cccc(c1)I 240690a_100000209981_100020647043 [0,2,0,0,0,0|1,0,0]=3 8365 B16R1.851 CCC(O)CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100011218378 [0,2,0,0,0,0|2,0,0]=4 8366 B16R1.851 CCC(O)CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100011218378 [0,2,0,0,0,0|2,0,0]=4 8367 B16R1.851 CCC(O)CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100011218378 [0,2,0,0,0,0|2,0,0]=4 8368 B16R1.851 CCC(O)CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100011218378 [0,2,0,0,0,0|2,0,0]=4 8369 B16R1.851 CCC(O)CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100011218378 [0,2,0,0,0,0|2,0,0]=4 8370 B16R1.851 CC[C@H](C)CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100009816398 [0,2,0,0,0,0|2,0,0]=4 8371 B16R1.851 CC[C@H](C)CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100009816398 [0,2,0,0,0,0|2,0,0]=4 8372 B16R1.851 CC[C@H](C)CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100009816398 [0,2,0,0,0,0|2,0,0]=4 8373 B16R1.851 CC[C@H](C)CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100009816398 [0,2,0,0,0,0|2,0,0]=4 8374 B16R1.851 CC[C@H](C)CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100009816398 [0,2,0,0,0,0|2,0,0]=4 8375 B16R1.851 C[C@@H](CO)CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000059175 [0,2,0,0,0,0|1,0,0]=3 8376 B16R1.851 C[C@@H](CO)CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000059175 [0,2,0,0,0,0|1,0,0]=3 8377 B16R1.851 C[C@@H](CO)CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000059175 [0,2,0,0,0,0|1,0,0]=3 8378 B16R1.851 C[C@@H](CO)CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000059175 [0,2,0,0,0,0|1,0,0]=3 8379 B16R1.851 C[C@H](CF)NC(=O)C=Cc1cccc(c1)Br 11a_100102880703_100016258244 [0,2,0,0,0,0|1,0,0]=3 8380 B16R1.851 C[C@H](CF)NC(=O)C=Cc1cccc(c1)Br 1626a_100102880703_100016258244 [0,2,0,0,0,0|1,0,0]=3 8381 B16R1.851 C[C@H](CF)NC(=O)C=Cc1cccc(c1)Br 240690a_100102880703_100016258244 [0,2,0,0,0,0|1,0,0]=3 8382 B16R1.851 C[C@H](CF)NC(=O)C=Cc1cccc(c1)Cl 11a_100102880703_100000184502 [0,2,0,0,0,0|1,0,0]=3 8383 B16R1.851 C[C@H](CF)NC(=O)C=Cc1cccc(c1)Cl 1626a_100102880703_100000184502 [0,2,0,0,0,0|1,0,0]=3 8384 B16R1.851 C[C@H](CF)NC(=O)C=Cc1cccc(c1)Cl 240690a_100102880703_100000184502 [0,2,0,0,0,0|1,0,0]=3 8385 B16R1.851 C[C@H](CF)NC(=O)C=Cc1cccc(c1)F 11a_100102880703_100000718793 [0,2,0,0,0,0|1,0,0]=3 8386 B16R1.851 C[C@H](CF)NC(=O)C=Cc1cccc(c1)F 1626a_100102880703_100000718793 [0,2,0,0,0,0|1,0,0]=3 8387 B16R1.851 C[C@H](CF)NC(=O)C=Cc1cccc(c1)F 240690a_100102880703_100000718793 [0,2,0,0,0,0|1,0,0]=3 8388 B16R1.851 C[C@H](CF)NC(=O)C=Cc1cccc(c1)I 11a_100102880703_100020647043 [0,2,0,0,0,0|1,0,0]=3 8389 B16R1.851 C[C@H](CF)NC(=O)C=Cc1cccc(c1)I 1626a_100102880703_100020647043 [0,2,0,0,0,0|1,0,0]=3 8390 B16R1.851 C[C@H](CF)NC(=O)C=Cc1cccc(c1)I 240690a_100102880703_100020647043 [0,2,0,0,0,0|1,0,0]=3 8391 B16R1.851 C[C@H](CO)NC(=O)C#Cc1cccc(c1)Cl 240690a_100000737577_100011892777 [0,2,0,0,0,0|0,0,2]=4 8392 B16R1.851 C[C@H](CO)NC(=O)C#Cc1cccc(c1)F 240690a_100000737577_100011892744 [0,2,0,0,0,0|0,0,2]=4 8393 B16R1.851 C[C@H](CO)NC(=O)C=Cc1cccc(c1)Br 240690a_100000737577_100016258244 [0,2,0,0,0,0|0,0,0]=2 8394 B16R1.851 C[C@H](CO)NC(=O)C=Cc1cccc(c1)Cl 240690a_100000737577_100000184502 [0,2,0,0,0,0|0,0,0]=2 8395 B16R1.851 C[C@H](CO)NC(=O)C=Cc1cccc(c1)F 240690a_100000737577_100000718793 [0,2,0,0,0,0|0,0,0]=2 8396 B16R1.851 C[C@H](CO)NC(=O)C=Cc1cccc(c1)I 240690a_100000737577_100020647043 [0,2,0,0,0,0|0,0,0]=2 8397 B16R1.851 C[C@H](CO)NC(=O)CCc1cccc(c1)Br 240690a_100000737577_100000184314 [0,2,0,0,0,0|0,0,2]=4 8398 B16R1.851 C[C@H](CO)NC(=O)CCc1cccc(c1)Br 527a_100000737577_100000184314 [0,2,0,0,0,0|0,0,2]=4 8399 B16R1.851 C[C@H](CO)NC(=O)CCc1cccc(c1)Cl 240690a_100000737577_100000235675 [0,2,0,0,0,0|0,0,2]=4 8400 B16R1.851 C[C@H](CO)NC(=O)CCc1cccc(c1)Cl 527a_100000737577_100000235675 [0,2,0,0,0,0|0,0,2]=4 8401 B16R1.851 C[C@H](CO)NC(=O)CCc1cccc(c1)F 240690a_100000737577_100000235673 [0,2,0,0,0,0|0,0,2]=4 8402 B16R1.851 C[C@H](CO)NC(=O)CCc1cccc(c1)F 527a_100000737577_100000235673 [0,2,0,0,0,0|0,0,2]=4 8403 B16R1.851 C[C@H](CO)NC(=O)CCc1cccc(c1)I 240690a_100000737577_100010007846 [0,2,0,0,0,0|0,0,2]=4 8404 B16R1.851 C[C@H](CO)NC(=O)CCc1cccc(c1)I 527a_100000737577_100010007846 [0,2,0,0,0,0|0,0,2]=4 8405 B16R1.851 C[C@H](CO)NC(=O)CCc1cccc(c1)O 240690a_100000737577_100011216126 [0,2,0,0,0,0|0,0,2]=4 8406 B16R1.851 C[C@H](CO)NC(=O)CCc1cccc(c1)O 527a_100000737577_100011216126 [0,2,0,0,0,0|0,0,2]=4 8407 B16R1.851 C[C@H](CO)NC(=O)COc1cccc(c1)Br 240690a_100000737577_100000182359 [0,2,0,0,0,0|1,0,1]=4 8408 B16R1.851 C[C@H](CO)NC(=O)COc1cccc(c1)Br 527a_100000737577_100000182359 [0,2,0,0,0,0|1,0,1]=4 8409 B16R1.851 C[C@H](CO)NC(=O)COc1cccc(c1)Cl 240690a_100000737577_100000184978 [0,2,0,0,0,0|1,0,1]=4 8410 B16R1.851 C[C@H](CO)NC(=O)COc1cccc(c1)Cl 527a_100000737577_100000184978 [0,2,0,0,0,0|1,0,1]=4 8411 B16R1.851 C[C@H](CO)NC(=O)COc1cccc(c1)F 240690a_100000737577_100000182781 [0,2,0,0,0,0|1,0,1]=4 8412 B16R1.851 C[C@H](CO)NC(=O)COc1cccc(c1)F 527a_100000737577_100000182781 [0,2,0,0,0,0|1,0,1]=4 8413 B16R1.851 C[C@H](CO)NC(=O)CSc1cccc(c1)Br 240690a_100000737577_100000760868 [0,2,0,0,0,0|1,0,1]=4 8414 B16R1.851 C[C@H](CO)NC(=O)CSc1cccc(c1)Br 527a_100000737577_100000760868 [0,2,0,0,0,0|1,0,1]=4 8415 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)Br 2708a_100000174977_100000737577 [0,2,0,0,0,0|1,0,1]=4 8416 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)Br 273464a_100000737577_100000174977 [0,2,0,0,0,0|1,0,1]=4 8417 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)Br 512a_100000174977_100000737577 [0,2,0,0,0,0|1,0,1]=4 8418 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)Br 512a_100000737577_100000174977 [0,2,0,0,0,0|1,0,1]=4 8419 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)Cl 2708a_100000174878_100000737577 [0,2,0,0,0,0|1,0,1]=4 8420 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)Cl 273464a_100000737577_100000174878 [0,2,0,0,0,0|1,0,1]=4 8421 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)Cl 512a_100000174878_100000737577 [0,2,0,0,0,0|1,0,1]=4 8422 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)Cl 512a_100000737577_100000174878 [0,2,0,0,0,0|1,0,1]=4 8423 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)F 2708a_100000174948_100000737577 [0,2,0,0,0,0|1,0,1]=4 8424 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)F 273464a_100000737577_100000174948 [0,2,0,0,0,0|1,0,1]=4 8425 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)F 512a_100000174948_100000737577 [0,2,0,0,0,0|1,0,1]=4 8426 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)F 512a_100000737577_100000174948 [0,2,0,0,0,0|1,0,1]=4 8427 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)I 2708a_100000106179_100000737577 [0,2,0,0,0,0|1,0,1]=4 8428 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)I 273464a_100000737577_100000106179 [0,2,0,0,0,0|1,0,1]=4 8429 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)I 512a_100000106179_100000737577 [0,2,0,0,0,0|1,0,1]=4 8430 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)I 512a_100000737577_100000106179 [0,2,0,0,0,0|1,0,1]=4 8431 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)O 2708a_100000743036_100000737577 [0,2,0,0,0,0|1,0,1]=4 8432 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)O 273464a_100000737577_100000743036 [0,2,0,0,0,0|1,0,1]=4 8433 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)O 512a_100000737577_100000743036 [0,2,0,0,0,0|1,0,1]=4 8434 B16R1.851 C[C@H](CO)NC(=O)NCc1cccc(c1)O 512a_100000743036_100000737577 [0,2,0,0,0,0|1,0,1]=4 8435 B16R1.851 C[C@H](CO)NC(=O)NNc1cccc(c1)Br 273464a_100000737577_100000217339 [0,2,0,0,0,0|2,0,0]=4 8436 B16R1.851 C[C@H](CO)NC(=O)NNc1cccc(c1)Br 512a_100000217339_100000737577 [0,2,0,0,0,0|2,0,0]=4 8437 B16R1.851 C[C@H](CO)NC(=O)NNc1cccc(c1)Br 512a_100000737577_100000217339 [0,2,0,0,0,0|2,0,0]=4 8438 B16R1.851 C[C@H](CO)NC(=O)NNc1cccc(c1)Cl 273464a_100000737577_100000184277 [0,2,0,0,0,0|2,0,0]=4 8439 B16R1.851 C[C@H](CO)NC(=O)NNc1cccc(c1)Cl 512a_100000737577_100000184277 [0,2,0,0,0,0|2,0,0]=4 8440 B16R1.851 C[C@H](CO)NC(=O)NNc1cccc(c1)F 273464a_100000737577_100000745080 [0,2,0,0,0,0|2,0,0]=4 8441 B16R1.851 C[C@H](CO)NC(=O)NNc1cccc(c1)F 512a_100000737577_100000745080 [0,2,0,0,0,0|2,0,0]=4 8442 B16R1.851 C[C@H](CO)NC(=O)NNc1cccc(c1)F 512a_100000745080_100000737577 [0,2,0,0,0,0|2,0,0]=4 8443 B16R1.851 C[C@H](CO)NC(=O)NNc1cccc(c1)I 273464a_100000737577_100020605690 [0,2,0,0,0,0|2,0,0]=4 8444 B16R1.851 C[C@H](CO)NC(=O)NNc1cccc(c1)I 512a_100000737577_100020605690 [0,2,0,0,0,0|2,0,0]=4 8445 B16R1.851 C[C@H](CO)NC(=O)NNc1cccc(c1)I 512a_100020605690_100000737577 [0,2,0,0,0,0|2,0,0]=4 8446 B16R1.851 Cc1cccc(c1)C#CC(=O)N[C@H](C)CO 240690a_100000737577_100011892726 [0,2,0,0,0,0|0,0,2]=4 8447 B16R1.851 Cc1cccc(c1)C=CC(=O)C[C@@H](C)CO 1458a_100000690095_100000059175 [0,2,0,0,0,0|1,0,0]=3 8448 B16R1.851 Cc1cccc(c1)C=CC(=O)NC(C)C#N 11a_100000737613_100000690095 [0,2,0,0,0,0|1,0,1]=4 8449 B16R1.851 Cc1cccc(c1)C=CC(=O)NC(C)C#N 1626a_100000737613_100000690095 [0,2,0,0,0,0|1,0,1]=4 8450 B16R1.851 Cc1cccc(c1)C=CC(=O)N[C@H](C)CF 11a_100102880703_100000690095 [0,2,0,0,0,0|1,0,0]=3 8451 B16R1.851 Cc1cccc(c1)C=CC(=O)N[C@H](C)CF 1626a_100102880703_100000690095 [0,2,0,0,0,0|1,0,0]=3 8452 B16R1.851 Cc1cccc(c1)C=CC(=O)N[C@H](C)CF 240690a_100102880703_100000690095 [0,2,0,0,0,0|1,0,0]=3 8453 B16R1.851 Cc1cccc(c1)C=CC(=O)N[C@H](C)CO 240690a_100000737577_100000690095 [0,2,0,0,0,0|0,0,0]=2 8454 B16R1.851 Cc1cccc(c1)CCC(=O)N[C@H](C)CO 240690a_100000737577_100000234952 [0,2,0,0,0,0|0,0,2]=4 8455 B16R1.851 Cc1cccc(c1)CCC(=O)N[C@H](C)CO 527a_100000737577_100000234952 [0,2,0,0,0,0|0,0,2]=4 8456 B16R1.851 Cc1cccc(c1)CNC(=O)N[C@H](C)CO 2708a_100000185548_100000737577 [0,2,0,0,0,0|1,0,1]=4 8457 B16R1.851 Cc1cccc(c1)CNC(=O)N[C@H](C)CO 273464a_100000737577_100000185548 [0,2,0,0,0,0|1,0,1]=4 8458 B16R1.851 Cc1cccc(c1)CNC(=O)N[C@H](C)CO 512a_100000185548_100000737577 [0,2,0,0,0,0|1,0,1]=4 8459 B16R1.851 Cc1cccc(c1)CNC(=O)N[C@H](C)CO 512a_100000737577_100000185548 [0,2,0,0,0,0|1,0,1]=4 8460 B16R1.851 Cc1cccc(c1)NNC(=O)N[C@H](C)CO 273464a_100000737577_100000681630 [0,2,0,0,0,0|2,0,0]=4 8461 B16R1.851 Cc1cccc(c1)NNC(=O)N[C@H](C)CO 512a_100000681630_100000737577 [0,2,0,0,0,0|2,0,0]=4 8462 B16R1.851 Cc1cccc(c1)NNC(=O)N[C@H](C)CO 512a_100000737577_100000681630 [0,2,0,0,0,0|2,0,0]=4 8463 B16R1.851 Cc1cccc(c1)OCC(=O)N[C@H](C)CO 240690a_100000737577_100000183606 [0,2,0,0,0,0|1,0,1]=4 8464 B16R1.851 Cc1cccc(c1)OCC(=O)N[C@H](C)CO 527a_100000737577_100000183606 [0,2,0,0,0,0|1,0,1]=4 8465 B16R1.980 C#CCN(C)C(=O)C=Cc1cccc(c1)Br 11a_100000225692_100016258244 [0,2,0,0,0,0|1,0,1]=4 8466 B16R1.980 C#CCN(C)C(=O)C=Cc1cccc(c1)Br 1626a_100000225692_100016258244 [0,2,0,0,0,0|1,0,1]=4 8467 B16R1.980 C#CCN(C)C(=O)C=Cc1cccc(c1)C 11a_100000225692_100000690095 [0,2,0,0,0,0|1,0,1]=4 8468 B16R1.980 C#CCN(C)C(=O)C=Cc1cccc(c1)C 1626a_100000225692_100000690095 [0,2,0,0,0,0|1,0,1]=4 8469 B16R1.980 C#CCN(C)C(=O)C=Cc1cccc(c1)Cl 11a_100000225692_100000184502 [0,2,0,0,0,0|1,0,1]=4 8470 B16R1.980 C#CCN(C)C(=O)C=Cc1cccc(c1)Cl 1626a_100000225692_100000184502 [0,2,0,0,0,0|1,0,1]=4 8471 B16R1.980 C#CCN(C)C(=O)C=Cc1cccc(c1)F 11a_100000225692_100000718793 [0,2,0,0,0,0|1,0,1]=4 8472 B16R1.980 C#CCN(C)C(=O)C=Cc1cccc(c1)F 1626a_100000225692_100000718793 [0,2,0,0,0,0|1,0,1]=4 8473 B16R1.980 C#CCN(C)C(=O)C=Cc1cccc(c1)I 11a_100000225692_100020647043 [0,2,0,0,0,0|1,0,1]=4 8474 B16R1.980 C#CCN(C)C(=O)C=Cc1cccc(c1)I 1626a_100000225692_100020647043 [0,2,0,0,0,0|1,0,1]=4 8475 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)Br 11a_100000225617_100016258244 [0,2,0,0,0,0|1,0,1]=4 8476 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)Br 1626a_100000225617_100016258244 [0,2,0,0,0,0|1,0,1]=4 8477 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)Br 240690a_100000225617_100016258244 [0,2,0,0,0,0|1,0,1]=4 8478 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)C 11a_100000225617_100000690095 [0,2,0,0,0,0|1,0,1]=4 8479 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)C 1626a_100000225617_100000690095 [0,2,0,0,0,0|1,0,1]=4 8480 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)C 240690a_100000225617_100000690095 [0,2,0,0,0,0|1,0,1]=4 8481 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)Cl 11a_100000225617_100000184502 [0,2,0,0,0,0|1,0,1]=4 8482 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)Cl 1626a_100000225617_100000184502 [0,2,0,0,0,0|1,0,1]=4 8483 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)Cl 240690a_100000225617_100000184502 [0,2,0,0,0,0|1,0,1]=4 8484 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)F 11a_100000225617_100000718793 [0,2,0,0,0,0|1,0,1]=4 8485 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)F 1626a_100000225617_100000718793 [0,2,0,0,0,0|1,0,1]=4 8486 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)F 240690a_100000225617_100000718793 [0,2,0,0,0,0|1,0,1]=4 8487 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)I 11a_100000225617_100020647043 [0,2,0,0,0,0|1,0,1]=4 8488 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)I 1626a_100000225617_100020647043 [0,2,0,0,0,0|1,0,1]=4 8489 B16R1.980 C=CCN(C)C(=O)C=Cc1cccc(c1)I 240690a_100000225617_100020647043 [0,2,0,0,0,0|1,0,1]=4 8490 B16R1.980 CC(CCO)C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100009893172 [0,2,0,0,0,0|1,0,0]=3 8491 B16R1.980 CC(CCO)C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100009893172 [0,2,0,0,0,0|1,0,0]=3 8492 B16R1.980 CC(CCO)C(=O)C=Cc1cccc(c1)F 1458a_100000718793_100009893172 [0,2,0,0,0,0|1,0,0]=3 8493 B16R1.980 CC(CCO)C(=O)C=Cc1cccc(c1)I 1458a_100020647043_100009893172 [0,2,0,0,0,0|1,0,0]=3 8494 B16R1.980 CCCC(C)C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000766640 [0,2,0,0,0,0|2,0,0]=4 8495 B16R1.980 CCCC(C)C(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000766640 [0,2,0,0,0,0|2,0,0]=4 8496 B16R1.980 CCCC(C)C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000766640 [0,2,0,0,0,0|2,0,0]=4 8497 B16R1.980 CCCC(C)C(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000766640 [0,2,0,0,0,0|2,0,0]=4 8498 B16R1.980 CCCC(C)C(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000766640 [0,2,0,0,0,0|2,0,0]=4 8499 B16R1.980 CCCN(C)C(=O)C=Cc1cccc(c1)Br 11a_100000747261_100016258244 [0,2,0,0,0,0|1,0,0]=3 8500 B16R1.980 CCCN(C)C(=O)C=Cc1cccc(c1)Br 1626a_100000747261_100016258244 [0,2,0,0,0,0|1,0,0]=3 8501 B16R1.980 CCCN(C)C(=O)C=Cc1cccc(c1)Br 240690a_100000747261_100016258244 [0,2,0,0,0,0|1,0,0]=3 8502 B16R1.980 CCCN(C)C(=O)C=Cc1cccc(c1)C 11a_100000747261_100000690095 [0,2,0,0,0,0|1,0,0]=3 8503 B16R1.980 CCCN(C)C(=O)C=Cc1cccc(c1)C 1626a_100000747261_100000690095 [0,2,0,0,0,0|1,0,0]=3 8504 B16R1.980 CCCN(C)C(=O)C=Cc1cccc(c1)C 240690a_100000747261_100000690095 [0,2,0,0,0,0|1,0,0]=3 8505 B16R1.980 CCCN(C)C(=O)C=Cc1cccc(c1)Cl 11a_100000747261_100000184502 [0,2,0,0,0,0|1,0,0]=3 8506 B16R1.980 CCCN(C)C(=O)C=Cc1cccc(c1)Cl 1626a_100000747261_100000184502 [0,2,0,0,0,0|1,0,0]=3 8507 B16R1.980 CCCN(C)C(=O)C=Cc1cccc(c1)Cl 240690a_100000747261_100000184502 [0,2,0,0,0,0|1,0,0]=3 8508 B16R1.980 CCCN(C)C(=O)C=Cc1cccc(c1)F 11a_100000747261_100000718793 [0,2,0,0,0,0|1,0,0]=3 8509 B16R1.980 CCCN(C)C(=O)C=Cc1cccc(c1)F 1626a_100000747261_100000718793 [0,2,0,0,0,0|1,0,0]=3 8510 B16R1.980 CCCN(C)C(=O)C=Cc1cccc(c1)F 240690a_100000747261_100000718793 [0,2,0,0,0,0|1,0,0]=3 8511 B16R1.980 CCCN(C)C(=O)C=Cc1cccc(c1)I 11a_100000747261_100020647043 [0,2,0,0,0,0|1,0,0]=3 8512 B16R1.980 CCCN(C)C(=O)C=Cc1cccc(c1)I 1626a_100000747261_100020647043 [0,2,0,0,0,0|1,0,0]=3 8513 B16R1.980 CCCN(C)C(=O)C=Cc1cccc(c1)I 240690a_100000747261_100020647043 [0,2,0,0,0,0|1,0,0]=3 8514 B16R1.980 CN(CC#N)C(=O)C=Cc1cccc(c1)Br 11a_100000748184_100016258244 [0,2,0,0,0,0|1,0,1]=4 8515 B16R1.980 CN(CC#N)C(=O)C=Cc1cccc(c1)Br 1626a_100000748184_100016258244 [0,2,0,0,0,0|1,0,1]=4 8516 B16R1.980 CN(CC#N)C(=O)C=Cc1cccc(c1)Cl 11a_100000748184_100000184502 [0,2,0,0,0,0|1,0,1]=4 8517 B16R1.980 CN(CC#N)C(=O)C=Cc1cccc(c1)Cl 1626a_100000748184_100000184502 [0,2,0,0,0,0|1,0,1]=4 8518 B16R1.980 CN(CC#N)C(=O)C=Cc1cccc(c1)F 11a_100000748184_100000718793 [0,2,0,0,0,0|1,0,1]=4 8519 B16R1.980 CN(CC#N)C(=O)C=Cc1cccc(c1)F 1626a_100000748184_100000718793 [0,2,0,0,0,0|1,0,1]=4 8520 B16R1.980 CN(CC#N)C(=O)C=Cc1cccc(c1)I 11a_100000748184_100020647043 [0,2,0,0,0,0|1,0,1]=4 8521 B16R1.980 CN(CC#N)C(=O)C=Cc1cccc(c1)I 1626a_100000748184_100020647043 [0,2,0,0,0,0|1,0,1]=4 8522 B16R1.980 CN(CCO)C(=O)C#Cc1cccc(c1)Cl 240690a_100000210263_100011892777 [0,2,0,0,0,0|0,0,2]=4 8523 B16R1.980 CN(CCO)C(=O)C#Cc1cccc(c1)F 240690a_100000210263_100011892744 [0,2,0,0,0,0|0,0,2]=4 8524 B16R1.980 CN(CCO)C(=O)C=Cc1cccc(c1)Br 240690a_100000210263_100016258244 [0,2,0,0,0,0|0,0,0]=2 8525 B16R1.980 CN(CCO)C(=O)C=Cc1cccc(c1)Cl 240690a_100000210263_100000184502 [0,2,0,0,0,0|0,0,0]=2 8526 B16R1.980 CN(CCO)C(=O)C=Cc1cccc(c1)F 240690a_100000210263_100000718793 [0,2,0,0,0,0|0,0,0]=2 8527 B16R1.980 CN(CCO)C(=O)C=Cc1cccc(c1)I 240690a_100000210263_100020647043 [0,2,0,0,0,0|0,0,0]=2 8528 B16R1.980 CN(CCO)C(=O)CCc1cccc(c1)Br 240690a_100000210263_100000184314 [0,2,0,0,0,0|0,0,2]=4 8529 B16R1.980 CN(CCO)C(=O)CCc1cccc(c1)Br 527a_100000210263_100000184314 [0,2,0,0,0,0|0,0,2]=4 8530 B16R1.980 CN(CCO)C(=O)CCc1cccc(c1)Cl 240690a_100000210263_100000235675 [0,2,0,0,0,0|0,0,2]=4 8531 B16R1.980 CN(CCO)C(=O)CCc1cccc(c1)Cl 527a_100000210263_100000235675 [0,2,0,0,0,0|0,0,2]=4 8532 B16R1.980 CN(CCO)C(=O)CCc1cccc(c1)F 240690a_100000210263_100000235673 [0,2,0,0,0,0|0,0,2]=4 8533 B16R1.980 CN(CCO)C(=O)CCc1cccc(c1)F 527a_100000210263_100000235673 [0,2,0,0,0,0|0,0,2]=4 8534 B16R1.980 CN(CCO)C(=O)CCc1cccc(c1)I 240690a_100000210263_100010007846 [0,2,0,0,0,0|0,0,2]=4 8535 B16R1.980 CN(CCO)C(=O)CCc1cccc(c1)I 527a_100000210263_100010007846 [0,2,0,0,0,0|0,0,2]=4 8536 B16R1.980 CN(CCO)C(=O)CCc1cccc(c1)O 240690a_100000210263_100011216126 [0,2,0,0,0,0|0,0,2]=4 8537 B16R1.980 CN(CCO)C(=O)CCc1cccc(c1)O 527a_100000210263_100011216126 [0,2,0,0,0,0|0,0,2]=4 8538 B16R1.980 CN(CCO)C(=O)COc1cccc(c1)Br 240690a_100000210263_100000182359 [0,2,0,0,0,0|1,0,1]=4 8539 B16R1.980 CN(CCO)C(=O)COc1cccc(c1)Br 527a_100000210263_100000182359 [0,2,0,0,0,0|1,0,1]=4 8540 B16R1.980 CN(CCO)C(=O)COc1cccc(c1)Cl 240690a_100000210263_100000184978 [0,2,0,0,0,0|1,0,1]=4 8541 B16R1.980 CN(CCO)C(=O)COc1cccc(c1)Cl 527a_100000210263_100000184978 [0,2,0,0,0,0|1,0,1]=4 8542 B16R1.980 CN(CCO)C(=O)COc1cccc(c1)F 240690a_100000210263_100000182781 [0,2,0,0,0,0|1,0,1]=4 8543 B16R1.980 CN(CCO)C(=O)COc1cccc(c1)F 527a_100000210263_100000182781 [0,2,0,0,0,0|1,0,1]=4 8544 B16R1.980 CN(CCO)C(=O)CSc1cccc(c1)Br 240690a_100000210263_100000760868 [0,2,0,0,0,0|1,0,1]=4 8545 B16R1.980 CN(CCO)C(=O)CSc1cccc(c1)Br 527a_100000210263_100000760868 [0,2,0,0,0,0|1,0,1]=4 8546 B16R1.980 CN(CCO)C(=O)NCc1cccc(c1)Br 2708a_100000174977_100000210263 [0,2,0,0,0,0|1,0,1]=4 8547 B16R1.980 CN(CCO)C(=O)NCc1cccc(c1)Br 273464a_100000174977_100000210263 [0,2,0,0,0,0|1,0,1]=4 8548 B16R1.980 CN(CCO)C(=O)NCc1cccc(c1)Cl 2708a_100000174878_100000210263 [0,2,0,0,0,0|1,0,1]=4 8549 B16R1.980 CN(CCO)C(=O)NCc1cccc(c1)Cl 273464a_100000174878_100000210263 [0,2,0,0,0,0|1,0,1]=4 8550 B16R1.980 CN(CCO)C(=O)NCc1cccc(c1)F 2708a_100000174948_100000210263 [0,2,0,0,0,0|1,0,1]=4 8551 B16R1.980 CN(CCO)C(=O)NCc1cccc(c1)F 273464a_100000174948_100000210263 [0,2,0,0,0,0|1,0,1]=4 8552 B16R1.980 CN(CCO)C(=O)NCc1cccc(c1)I 2708a_100000106179_100000210263 [0,2,0,0,0,0|1,0,1]=4 8553 B16R1.980 CN(CCO)C(=O)NCc1cccc(c1)I 273464a_100000106179_100000210263 [0,2,0,0,0,0|1,0,1]=4 8554 B16R1.980 CN(CCO)C(=O)NCc1cccc(c1)O 2708a_100000743036_100000210263 [0,2,0,0,0,0|1,0,1]=4 8555 B16R1.980 CN(CCO)C(=O)NCc1cccc(c1)O 273464a_100000743036_100000210263 [0,2,0,0,0,0|1,0,1]=4 8556 B16R1.980 Cc1cccc(c1)C#CC(=O)N(C)CCO 240690a_100000210263_100011892726 [0,2,0,0,0,0|0,0,2]=4 8557 B16R1.980 Cc1cccc(c1)C=CC(=O)C(C)CCO 1458a_100000690095_100009893172 [0,2,0,0,0,0|1,0,0]=3 8558 B16R1.980 Cc1cccc(c1)C=CC(=O)N(C)CC#N 11a_100000748184_100000690095 [0,2,0,0,0,0|1,0,1]=4 8559 B16R1.980 Cc1cccc(c1)C=CC(=O)N(C)CC#N 1626a_100000748184_100000690095 [0,2,0,0,0,0|1,0,1]=4 8560 B16R1.980 Cc1cccc(c1)C=CC(=O)N(C)CCO 240690a_100000210263_100000690095 [0,2,0,0,0,0|0,0,0]=2 8561 B16R1.980 Cc1cccc(c1)CCC(=O)N(C)CCO 240690a_100000210263_100000234952 [0,2,0,0,0,0|0,0,2]=4 8562 B16R1.980 Cc1cccc(c1)CCC(=O)N(C)CCO 527a_100000210263_100000234952 [0,2,0,0,0,0|0,0,2]=4 8563 B16R1.980 Cc1cccc(c1)CNC(=O)N(C)CCO 2708a_100000185548_100000210263 [0,2,0,0,0,0|1,0,1]=4 8564 B16R1.980 Cc1cccc(c1)CNC(=O)N(C)CCO 273464a_100000185548_100000210263 [0,2,0,0,0,0|1,0,1]=4 8565 B16R1.980 Cc1cccc(c1)OCC(=O)N(C)CCO 240690a_100000210263_100000183606 [0,2,0,0,0,0|1,0,1]=4 8566 B16R1.980 Cc1cccc(c1)OCC(=O)N(C)CCO 527a_100000210263_100000183606 [0,2,0,0,0,0|1,0,1]=4 8567 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1Br)F 11a_100000212058_100102525183 [0,2,0,0,0,0|1,0,1]=4 8568 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1Br)F 1626a_100000212058_100102525183 [0,2,0,0,0,0|1,0,1]=4 8569 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1Br)F 240690a_100000212058_100102525183 [0,2,0,0,0,0|1,0,1]=4 8570 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1Br)O 240690a_100000212058_200159324452 [0,2,0,0,0,0|1,0,1]=4 8571 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1C)C 1626a_100000212058_200016256798 [0,2,0,0,0,0|1,0,1]=4 8572 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1C)F 11a_100000212058_100102526137 [0,2,0,0,0,0|1,0,1]=4 8573 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1C)F 1626a_100000212058_100102526137 [0,2,0,0,0,0|1,0,1]=4 8574 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1Cl)Cl 11a_100000212058_100000234794 [0,2,0,0,0,0|1,0,1]=4 8575 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1Cl)Cl 1626a_100000212058_100000234794 [0,2,0,0,0,0|1,0,1]=4 8576 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1Cl)Cl 240690a_100000212058_100000234794 [0,2,0,0,0,0|1,0,1]=4 8577 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1F)Br 11a_100000212058_100000718207 [0,2,0,0,0,0|1,0,1]=4 8578 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1F)Br 1626a_100000212058_100000718207 [0,2,0,0,0,0|1,0,1]=4 8579 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1F)Br 240690a_100000212058_100000718207 [0,2,0,0,0,0|1,0,1]=4 8580 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1F)C 11a_100000212058_100102526132 [0,2,0,0,0,0|1,0,1]=4 8581 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1F)C 1626a_100000212058_100102526132 [0,2,0,0,0,0|1,0,1]=4 8582 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1F)C 240690a_100000212058_100102526132 [0,2,0,0,0,0|1,0,1]=4 8583 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1F)F 11a_100000212058_100000744626 [0,2,0,0,0,0|1,0,1]=4 8584 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1F)F 1626a_100000212058_100000744626 [0,2,0,0,0,0|1,0,1]=4 8585 B16R1.7334 C#CCNC(=O)C=Cc1cc(ccc1F)F 240690a_100000212058_100000744626 [0,2,0,0,0,0|1,0,1]=4 8586 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1Br)F 1626a_100020586998_100102525183 [0,2,0,0,0,0|1,0,1]=4 8587 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1Br)F 240690a_100020586998_100102525183 [0,2,0,0,0,0|1,0,1]=4 8588 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1Br)O 240690a_100020586998_200159324452 [0,2,0,0,0,0|1,0,1]=4 8589 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1C)C 1626a_100020586998_200016256798 [0,2,0,0,0,0|1,0,1]=4 8590 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1C)F 1626a_100020586998_100102526137 [0,2,0,0,0,0|1,0,1]=4 8591 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1Cl)Cl 1626a_100020586998_100000234794 [0,2,0,0,0,0|1,0,1]=4 8592 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1Cl)Cl 240690a_100020586998_100000234794 [0,2,0,0,0,0|1,0,1]=4 8593 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1F)Br 1626a_100020586998_100000718207 [0,2,0,0,0,0|1,0,1]=4 8594 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1F)Br 240690a_100020586998_100000718207 [0,2,0,0,0,0|1,0,1]=4 8595 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1F)C 1626a_100020586998_100102526132 [0,2,0,0,0,0|1,0,1]=4 8596 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1F)C 240690a_100020586998_100102526132 [0,2,0,0,0,0|1,0,1]=4 8597 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1F)F 1626a_100020586998_100000744626 [0,2,0,0,0,0|1,0,1]=4 8598 B16R1.7334 C=CCNC(=O)C=Cc1cc(ccc1F)F 240690a_100020586998_100000744626 [0,2,0,0,0,0|1,0,1]=4 8599 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1Br)F 1458a_100102525183_100000210211 [0,2,0,0,0,0|2,0,0]=4 8600 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1Br)I 6a_100010185652_100000032102 [0,2,0,0,0,0|2,0,0]=4 8601 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1Cl)Cl 1458a_100000234794_100000210211 [0,2,0,0,0,0|2,0,0]=4 8602 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1Cl)I 6a_100010254384_100000032102 [0,2,0,0,0,0|2,0,0]=4 8603 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1F)Br 1458a_100000718207_100000210211 [0,2,0,0,0,0|2,0,0]=4 8604 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1F)Br 6a_100000211465_100000032102 [0,2,0,0,0,0|2,0,0]=4 8605 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1F)C 1458a_100102526132_100000210211 [0,2,0,0,0,0|2,0,0]=4 8606 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1F)C 6a_100000756917_100000032102 [0,2,0,0,0,0|2,0,0]=4 8607 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1F)Cl 6a_100000745245_100000032102 [0,2,0,0,0,0|2,0,0]=4 8608 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1F)F 1458a_100000744626_100000210211 [0,2,0,0,0,0|2,0,0]=4 8609 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1F)F 6a_100000740046_100000032102 [0,2,0,0,0,0|2,0,0]=4 8610 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1F)I 6a_100000050626_100000032102 [0,2,0,0,0,0|2,0,0]=4 8611 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1I)Br 6a_100010185651_100000032102 [0,2,0,0,0,0|2,0,0]=4 8612 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1I)C 6a_100010150105_100000032102 [0,2,0,0,0,0|2,0,0]=4 8613 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1I)Cl 6a_100010254386_100000032102 [0,2,0,0,0,0|2,0,0]=4 8614 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1I)F 6a_100010186294_100000032102 [0,2,0,0,0,0|2,0,0]=4 8615 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1I)O 6a_100000069132_100000032102 [0,2,0,0,0,0|2,0,0]=4 8616 B16R1.7334 CCCCC(=O)C=Cc1cc(ccc1O)I 6a_100011215628_100000032102 [0,2,0,0,0,0|2,0,0]=4 8617 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1Br)F 11a_100020643023_100102525183 [0,2,0,0,0,0|1,0,0]=3 8618 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1Br)F 1626a_100020643023_100102525183 [0,2,0,0,0,0|1,0,0]=3 8619 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1Br)F 240690a_100020643023_100102525183 [0,2,0,0,0,0|1,0,0]=3 8620 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1Br)O 240690a_100020643023_200159324452 [0,2,0,0,0,0|1,0,0]=3 8621 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1C)C 1626a_100020643023_200016256798 [0,2,0,0,0,0|1,0,0]=3 8622 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1C)F 11a_100020643023_100102526137 [0,2,0,0,0,0|1,0,0]=3 8623 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1C)F 1626a_100020643023_100102526137 [0,2,0,0,0,0|1,0,0]=3 8624 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1Cl)Cl 11a_100020643023_100000234794 [0,2,0,0,0,0|1,0,0]=3 8625 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1Cl)Cl 1626a_100020643023_100000234794 [0,2,0,0,0,0|1,0,0]=3 8626 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1Cl)Cl 240690a_100020643023_100000234794 [0,2,0,0,0,0|1,0,0]=3 8627 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1F)Br 11a_100020643023_100000718207 [0,2,0,0,0,0|1,0,0]=3 8628 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1F)Br 1626a_100020643023_100000718207 [0,2,0,0,0,0|1,0,0]=3 8629 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1F)Br 240690a_100020643023_100000718207 [0,2,0,0,0,0|1,0,0]=3 8630 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1F)C 11a_100020643023_100102526132 [0,2,0,0,0,0|1,0,0]=3 8631 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1F)C 1626a_100020643023_100102526132 [0,2,0,0,0,0|1,0,0]=3 8632 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1F)C 240690a_100020643023_100102526132 [0,2,0,0,0,0|1,0,0]=3 8633 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1F)F 11a_100020643023_100000744626 [0,2,0,0,0,0|1,0,0]=3 8634 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1F)F 1626a_100020643023_100000744626 [0,2,0,0,0,0|1,0,0]=3 8635 B16R1.7334 CCCNC(=O)C=Cc1cc(ccc1F)F 240690a_100020643023_100000744626 [0,2,0,0,0,0|1,0,0]=3 8636 B16R1.7334 CCNNC(=O)C=Cc1cc(ccc1Br)F 22a_100000756455_100102525183 [0,2,0,0,0,0|2,0,0]=4 8637 B16R1.7334 CCNNC(=O)C=Cc1cc(ccc1Br)O 22a_100000756455_200159324452 [0,2,0,0,0,0|2,0,0]=4 8638 B16R1.7334 CCNNC(=O)C=Cc1cc(ccc1C)C 22a_100000756455_200016256798 [0,2,0,0,0,0|2,0,0]=4 8639 B16R1.7334 CCNNC(=O)C=Cc1cc(ccc1C)F 22a_100000756455_100102526137 [0,2,0,0,0,0|2,0,0]=4 8640 B16R1.7334 CCNNC(=O)C=Cc1cc(ccc1Cl)Cl 22a_100000756455_100000234794 [0,2,0,0,0,0|2,0,0]=4 8641 B16R1.7334 CCNNC(=O)C=Cc1cc(ccc1F)Br 22a_100000756455_100000718207 [0,2,0,0,0,0|2,0,0]=4 8642 B16R1.7334 CCNNC(=O)C=Cc1cc(ccc1F)C 22a_100000756455_100102526132 [0,2,0,0,0,0|2,0,0]=4 8643 B16R1.7334 CCNNC(=O)C=Cc1cc(ccc1F)F 22a_100000756455_100000744626 [0,2,0,0,0,0|2,0,0]=4 8644 B16R1.7334 Cc1ccc(c(c1)C=CC(=O)CCCBr)F 6a_100000756917_100000685027 [0,2,0,0,0,0|2,0,0]=4 8645 B16R1.7334 Cc1ccc(c(c1)C=CC(=O)CCCBr)I 6a_100010150105_100000685027 [0,2,0,0,0,0|2,0,0]=4 8646 B16R1.7334 Cc1ccc(c(c1)C=CC(=O)CCCCl)F 6a_100000756917_100011215641 [0,2,0,0,0,0|2,0,0]=4 8647 B16R1.7334 Cc1ccc(c(c1)C=CC(=O)CCCCl)I 6a_100010150105_100011215641 [0,2,0,0,0,0|2,0,0]=4 8648 B16R1.7334 Cc1ccc(c(c1)C=CC(=O)CCCF)F 1458a_100102526132_100011934791 [0,2,0,0,0,0|2,0,0]=4 8649 B16R1.7334 Cc1ccc(c(c1)C=CC(=O)CCCO)F 1458a_100102526132_100011215043 [0,2,0,0,0,0|1,0,0]=3 8650 B16R1.7334 Cc1ccc(c(c1)C=CC(=O)NCC#N)C 1626a_100000734998_200016256798 [0,2,0,0,0,0|1,0,1]=4 8651 B16R1.7334 Cc1ccc(c(c1)C=CC(=O)NCC#N)F 1626a_100000734998_100102526132 [0,2,0,0,0,0|1,0,1]=4 8652 B16R1.7334 Cc1ccc(c(c1)C=CC(=O)NCCF)C 1626a_100000724931_200016256798 [0,2,0,0,0,0|1,0,0]=3 8653 B16R1.7334 Cc1ccc(c(c1)C=CC(=O)NCCF)F 11a_100000724931_100102526132 [0,2,0,0,0,0|1,0,0]=3 8654 B16R1.7334 Cc1ccc(c(c1)C=CC(=O)NCCF)F 1626a_100000724931_100102526132 [0,2,0,0,0,0|1,0,0]=3 8655 B16R1.7334 Cc1ccc(c(c1)C=CC(=O)NCCF)F 240690a_100000724931_100102526132 [0,2,0,0,0,0|1,0,0]=3 8656 B16R1.7334 Cc1ccc(c(c1)C=CC(=O)NCCO)F 240690a_100000210304_100102526132 [0,2,0,0,0,0|0,0,0]=2 8657 B16R1.7334 Cc1ccc(c(c1)CCC(=O)NCCO)C 240690a_100000210304_100011485725 [0,2,0,0,0,0|0,0,2]=4 8658 B16R1.7334 Cc1ccc(c(c1)CCC(=O)NCCO)C 527a_100000210304_100011485725 [0,2,0,0,0,0|0,0,2]=4 8659 B16R1.7334 Cc1ccc(c(c1)CCC(=O)NCCO)F 240690a_100000210304_100011934859 [0,2,0,0,0,0|0,0,2]=4 8660 B16R1.7334 Cc1ccc(c(c1)CCC(=O)NCCO)F 527a_100000210304_100011934859 [0,2,0,0,0,0|0,0,2]=4 8661 B16R1.7334 Cc1ccc(c(c1)CNC(=O)NCCO)C 2708a_100000174964_100000210304 [0,2,0,0,0,0|1,0,1]=4 8662 B16R1.7334 Cc1ccc(c(c1)CNC(=O)NCCO)C 273464a_100000174964_100000210304 [0,2,0,0,0,0|1,0,1]=4 8663 B16R1.7334 Cc1ccc(c(c1)CNC(=O)NCCO)C 273464a_100000210304_100000174964 [0,2,0,0,0,0|1,0,1]=4 8664 B16R1.7334 Cc1ccc(c(c1)CNC(=O)NCCO)C 512a_100000174964_100000210304 [0,2,0,0,0,0|1,0,1]=4 8665 B16R1.7334 Cc1ccc(c(c1)CNC(=O)NCCO)Cl 2708a_100025705715_100000210304 [0,2,0,0,0,0|1,0,1]=4 8666 B16R1.7334 Cc1ccc(c(c1)CNC(=O)NCCO)Cl 273464a_100000210304_100025705715 [0,2,0,0,0,0|1,0,1]=4 8667 B16R1.7334 Cc1ccc(c(c1)CNC(=O)NCCO)Cl 273464a_100025705715_100000210304 [0,2,0,0,0,0|1,0,1]=4 8668 B16R1.7334 Cc1ccc(c(c1)CNC(=O)NCCO)Cl 512a_100025705715_100000210304 [0,2,0,0,0,0|1,0,1]=4 8669 B16R1.7334 Cc1ccc(c(c1)CNC(=O)NCCO)F 2708a_100102693586_100000210304 [0,2,0,0,0,0|1,0,1]=4 8670 B16R1.7334 Cc1ccc(c(c1)CNC(=O)NCCO)F 273464a_100000210304_100102693586 [0,2,0,0,0,0|1,0,1]=4 8671 B16R1.7334 Cc1ccc(c(c1)CNC(=O)NCCO)F 273464a_100102693586_100000210304 [0,2,0,0,0,0|1,0,1]=4 8672 B16R1.7334 Cc1ccc(c(c1)CNC(=O)NCCO)F 512a_100102693586_100000210304 [0,2,0,0,0,0|1,0,1]=4 8673 B16R1.7334 Cc1ccc(c(c1)NNC(=O)NCCO)C 273464a_100000210304_100000683361 [0,2,0,0,0,0|2,0,0]=4 8674 B16R1.7334 Cc1ccc(c(c1)NNC(=O)NCCO)Cl 273464a_100000210304_200020642191 [0,2,0,0,0,0|2,0,0]=4 8675 B16R1.7334 Cc1ccc(c(c1)NNC(=O)NCCO)F 273464a_100000210304_100011248256 [0,2,0,0,0,0|2,0,0]=4 8676 B16R1.7334 Cc1ccc(c(c1)OCC(=O)NCCO)C 240690a_100000210304_100000182428 [0,2,0,0,0,0|1,0,1]=4 8677 B16R1.7334 Cc1ccc(c(c1)OCC(=O)NCCO)C 527a_100000210304_100000182428 [0,2,0,0,0,0|1,0,1]=4 8678 B16R1.7334 Cc1ccc(c(c1)OCC(=O)NCCO)Cl 240690a_100000210304_100000183693 [0,2,0,0,0,0|1,0,1]=4 8679 B16R1.7334 Cc1ccc(c(c1)OCC(=O)NCCO)Cl 527a_100000210304_100000183693 [0,2,0,0,0,0|1,0,1]=4 8680 B16R1.7334 Cc1ccc(cc1C=CC(=O)NCC#N)F 1626a_100000734998_100102526137 [0,2,0,0,0,0|1,0,1]=4 8681 B16R1.7334 Cc1ccc(cc1C=CC(=O)NCCF)F 11a_100000724931_100102526137 [0,2,0,0,0,0|1,0,0]=3 8682 B16R1.7334 Cc1ccc(cc1C=CC(=O)NCCF)F 1626a_100000724931_100102526137 [0,2,0,0,0,0|1,0,0]=3 8683 B16R1.7334 Cc1ccc(cc1CCC(=O)NCCO)F 240690a_100000210304_100011830270 [0,2,0,0,0,0|0,0,2]=4 8684 B16R1.7334 Cc1ccc(cc1CCC(=O)NCCO)F 527a_100000210304_100011830270 [0,2,0,0,0,0|0,0,2]=4 8685 B16R1.7334 Cc1ccc(cc1CNC(=O)NCCO)Cl 2708a_100000717755_100000210304 [0,2,0,0,0,0|1,0,1]=4 8686 B16R1.7334 Cc1ccc(cc1CNC(=O)NCCO)Cl 273464a_100000210304_100000717755 [0,2,0,0,0,0|1,0,1]=4 8687 B16R1.7334 Cc1ccc(cc1CNC(=O)NCCO)Cl 273464a_100000717755_100000210304 [0,2,0,0,0,0|1,0,1]=4 8688 B16R1.7334 Cc1ccc(cc1CNC(=O)NCCO)Cl 512a_100000717755_100000210304 [0,2,0,0,0,0|1,0,1]=4 8689 B16R1.7334 Cc1ccc(cc1CNC(=O)NCCO)F 2708a_100011217291_100000210304 [0,2,0,0,0,0|1,0,1]=4 8690 B16R1.7334 Cc1ccc(cc1CNC(=O)NCCO)F 273464a_100000210304_100011217291 [0,2,0,0,0,0|1,0,1]=4 8691 B16R1.7334 Cc1ccc(cc1CNC(=O)NCCO)F 273464a_100011217291_100000210304 [0,2,0,0,0,0|1,0,1]=4 8692 B16R1.7334 Cc1ccc(cc1CNC(=O)NCCO)F 512a_100011217291_100000210304 [0,2,0,0,0,0|1,0,1]=4 8693 B16R1.7334 Cc1ccc(cc1CNC(=O)NCCO)O 2708a_200009844824_100000210304 [0,2,0,0,0,0|1,0,1]=4 8694 B16R1.7334 Cc1ccc(cc1CNC(=O)NCCO)O 273464a_100000210304_200009844824 [0,2,0,0,0,0|1,0,1]=4 8695 B16R1.7334 Cc1ccc(cc1CNC(=O)NCCO)O 273464a_200009844824_100000210304 [0,2,0,0,0,0|1,0,1]=4 8696 B16R1.7334 Cc1ccc(cc1CNC(=O)NCCO)O 512a_200009844824_100000210304 [0,2,0,0,0,0|1,0,1]=4 8697 B16R1.7334 Cc1ccc(cc1NNC(=O)NCCO)Cl 273464a_100000210304_100020587667 [0,2,0,0,0,0|2,0,0]=4 8698 B16R1.7334 Cc1ccc(cc1NNC(=O)NCCO)F 273464a_100000210304_100011206524 [0,2,0,0,0,0|2,0,0]=4 8699 B16R1.7334 N#CCNC(=O)C=Cc1cc(ccc1Br)F 1626a_100000734998_100102525183 [0,2,0,0,0,0|1,0,1]=4 8700 B16R1.7334 N#CCNC(=O)C=Cc1cc(ccc1Cl)Cl 1626a_100000734998_100000234794 [0,2,0,0,0,0|1,0,1]=4 8701 B16R1.7334 N#CCNC(=O)C=Cc1cc(ccc1F)Br 1626a_100000734998_100000718207 [0,2,0,0,0,0|1,0,1]=4 8702 B16R1.7334 N#CCNC(=O)C=Cc1cc(ccc1F)F 1626a_100000734998_100000744626 [0,2,0,0,0,0|1,0,1]=4 8703 B16R1.7334 O=C(C=Cc1cc(ccc1Br)F)CCCF 1458a_100102525183_100011934791 [0,2,0,0,0,0|2,0,0]=4 8704 B16R1.7334 O=C(C=Cc1cc(ccc1Br)F)CCCO 1458a_100102525183_100011215043 [0,2,0,0,0,0|1,0,0]=3 8705 B16R1.7334 O=C(C=Cc1cc(ccc1Br)F)NCCF 11a_100000724931_100102525183 [0,2,0,0,0,0|1,0,0]=3 8706 B16R1.7334 O=C(C=Cc1cc(ccc1Br)F)NCCF 1626a_100000724931_100102525183 [0,2,0,0,0,0|1,0,0]=3 8707 B16R1.7334 O=C(C=Cc1cc(ccc1Br)F)NCCF 240690a_100000724931_100102525183 [0,2,0,0,0,0|1,0,0]=3 8708 B16R1.7334 O=C(C=Cc1cc(ccc1Br)F)NCCO 240690a_100000210304_100102525183 [0,2,0,0,0,0|0,0,0]=2 8709 B16R1.7334 O=C(C=Cc1cc(ccc1Br)I)CCCBr 6a_100010185652_100000685027 [0,2,0,0,0,0|2,0,0]=4 8710 B16R1.7334 O=C(C=Cc1cc(ccc1Br)I)CCCCl 6a_100010185652_100011215641 [0,2,0,0,0,0|2,0,0]=4 8711 B16R1.7334 O=C(C=Cc1cc(ccc1Br)O)NCCF 240690a_100000724931_200159324452 [0,2,0,0,0,0|1,0,0]=3 8712 B16R1.7334 O=C(C=Cc1cc(ccc1Br)O)NCCO 240690a_100000210304_200159324452 [0,2,0,0,0,0|0,0,0]=2 8713 B16R1.7334 O=C(C=Cc1cc(ccc1Cl)Cl)CCCF 1458a_100000234794_100011934791 [0,2,0,0,0,0|2,0,0]=4 8714 B16R1.7334 O=C(C=Cc1cc(ccc1Cl)Cl)CCCO 1458a_100000234794_100011215043 [0,2,0,0,0,0|1,0,0]=3 8715 B16R1.7334 O=C(C=Cc1cc(ccc1Cl)Cl)NCCF 11a_100000724931_100000234794 [0,2,0,0,0,0|1,0,0]=3 8716 B16R1.7334 O=C(C=Cc1cc(ccc1Cl)Cl)NCCF 1626a_100000724931_100000234794 [0,2,0,0,0,0|1,0,0]=3 8717 B16R1.7334 O=C(C=Cc1cc(ccc1Cl)Cl)NCCF 240690a_100000724931_100000234794 [0,2,0,0,0,0|1,0,0]=3 8718 B16R1.7334 O=C(C=Cc1cc(ccc1Cl)Cl)NCCO 240690a_100000210304_100000234794 [0,2,0,0,0,0|0,0,0]=2 8719 B16R1.7334 O=C(C=Cc1cc(ccc1Cl)I)CCCBr 6a_100010254384_100000685027 [0,2,0,0,0,0|2,0,0]=4 8720 B16R1.7334 O=C(C=Cc1cc(ccc1Cl)I)CCCCl 6a_100010254384_100011215641 [0,2,0,0,0,0|2,0,0]=4 8721 B16R1.7334 O=C(C=Cc1cc(ccc1F)Br)CCCBr 6a_100000211465_100000685027 [0,2,0,0,0,0|2,0,0]=4 8722 B16R1.7334 O=C(C=Cc1cc(ccc1F)Br)CCCCl 6a_100000211465_100011215641 [0,2,0,0,0,0|2,0,0]=4 8723 B16R1.7334 O=C(C=Cc1cc(ccc1F)Br)CCCF 1458a_100000718207_100011934791 [0,2,0,0,0,0|2,0,0]=4 8724 B16R1.7334 O=C(C=Cc1cc(ccc1F)Br)CCCO 1458a_100000718207_100011215043 [0,2,0,0,0,0|1,0,0]=3 8725 B16R1.7334 O=C(C=Cc1cc(ccc1F)Br)NCCF 11a_100000724931_100000718207 [0,2,0,0,0,0|1,0,0]=3 8726 B16R1.7334 O=C(C=Cc1cc(ccc1F)Br)NCCF 1626a_100000724931_100000718207 [0,2,0,0,0,0|1,0,0]=3 8727 B16R1.7334 O=C(C=Cc1cc(ccc1F)Br)NCCF 240690a_100000724931_100000718207 [0,2,0,0,0,0|1,0,0]=3 8728 B16R1.7334 O=C(C=Cc1cc(ccc1F)Br)NCCO 240690a_100000210304_100000718207 [0,2,0,0,0,0|0,0,0]=2 8729 B16R1.7334 O=C(C=Cc1cc(ccc1F)Cl)CCCBr 6a_100000745245_100000685027 [0,2,0,0,0,0|2,0,0]=4 8730 B16R1.7334 O=C(C=Cc1cc(ccc1F)Cl)CCCCl 6a_100000745245_100011215641 [0,2,0,0,0,0|2,0,0]=4 8731 B16R1.7334 O=C(C=Cc1cc(ccc1F)F)CCCBr 6a_100000740046_100000685027 [0,2,0,0,0,0|2,0,0]=4 8732 B16R1.7334 O=C(C=Cc1cc(ccc1F)F)CCCCl 6a_100000740046_100011215641 [0,2,0,0,0,0|2,0,0]=4 8733 B16R1.7334 O=C(C=Cc1cc(ccc1F)F)CCCF 1458a_100000744626_100011934791 [0,2,0,0,0,0|2,0,0]=4 8734 B16R1.7334 O=C(C=Cc1cc(ccc1F)F)CCCO 1458a_100000744626_100011215043 [0,2,0,0,0,0|1,0,0]=3 8735 B16R1.7334 O=C(C=Cc1cc(ccc1F)F)NCCF 11a_100000724931_100000744626 [0,2,0,0,0,0|1,0,0]=3 8736 B16R1.7334 O=C(C=Cc1cc(ccc1F)F)NCCF 1626a_100000724931_100000744626 [0,2,0,0,0,0|1,0,0]=3 8737 B16R1.7334 O=C(C=Cc1cc(ccc1F)F)NCCF 240690a_100000724931_100000744626 [0,2,0,0,0,0|1,0,0]=3 8738 B16R1.7334 O=C(C=Cc1cc(ccc1F)F)NCCO 240690a_100000210304_100000744626 [0,2,0,0,0,0|0,0,0]=2 8739 B16R1.7334 O=C(C=Cc1cc(ccc1F)I)CCCBr 6a_100000050626_100000685027 [0,2,0,0,0,0|2,0,0]=4 8740 B16R1.7334 O=C(C=Cc1cc(ccc1F)I)CCCCl 6a_100000050626_100011215641 [0,2,0,0,0,0|2,0,0]=4 8741 B16R1.7334 O=C(C=Cc1cc(ccc1I)Br)CCCBr 6a_100010185651_100000685027 [0,2,0,0,0,0|2,0,0]=4 8742 B16R1.7334 O=C(C=Cc1cc(ccc1I)Br)CCCCl 6a_100010185651_100011215641 [0,2,0,0,0,0|2,0,0]=4 8743 B16R1.7334 O=C(C=Cc1cc(ccc1I)Cl)CCCBr 6a_100010254386_100000685027 [0,2,0,0,0,0|2,0,0]=4 8744 B16R1.7334 O=C(C=Cc1cc(ccc1I)Cl)CCCCl 6a_100010254386_100011215641 [0,2,0,0,0,0|2,0,0]=4 8745 B16R1.7334 O=C(C=Cc1cc(ccc1I)F)CCCBr 6a_100010186294_100000685027 [0,2,0,0,0,0|2,0,0]=4 8746 B16R1.7334 O=C(C=Cc1cc(ccc1I)F)CCCCl 6a_100010186294_100011215641 [0,2,0,0,0,0|2,0,0]=4 8747 B16R1.7334 O=C(C=Cc1cc(ccc1I)O)CCCBr 6a_100000069132_100000685027 [0,2,0,0,0,0|2,0,0]=4 8748 B16R1.7334 O=C(C=Cc1cc(ccc1I)O)CCCCl 6a_100000069132_100011215641 [0,2,0,0,0,0|2,0,0]=4 8749 B16R1.7334 O=C(C=Cc1cc(ccc1O)I)CCCBr 6a_100011215628_100000685027 [0,2,0,0,0,0|2,0,0]=4 8750 B16R1.7334 O=C(C=Cc1cc(ccc1O)I)CCCCl 6a_100011215628_100011215641 [0,2,0,0,0,0|2,0,0]=4 8751 B16R1.7334 O=C(CCc1cc(ccc1Br)F)NCCO 240690a_100000210304_100000685340 [0,2,0,0,0,0|0,0,2]=4 8752 B16R1.7334 O=C(CCc1cc(ccc1Br)F)NCCO 527a_100000210304_100000685340 [0,2,0,0,0,0|0,0,2]=4 8753 B16R1.7334 O=C(CCc1cc(ccc1Cl)Br)NCCO 240690a_100000210304_100010145785 [0,2,0,0,0,0|0,0,2]=4 8754 B16R1.7334 O=C(CCc1cc(ccc1Cl)Br)NCCO 527a_100000210304_100010145785 [0,2,0,0,0,0|0,0,2]=4 8755 B16R1.7334 O=C(CCc1cc(ccc1Cl)Cl)NCCO 240690a_100000210304_200012258936 [0,2,0,0,0,0|0,0,2]=4 8756 B16R1.7334 O=C(CCc1cc(ccc1Cl)Cl)NCCO 527a_100000210304_200012258936 [0,2,0,0,0,0|0,0,2]=4 8757 B16R1.7334 O=C(CCc1cc(ccc1Cl)F)NCCO 240690a_100000210304_100012357546 [0,2,0,0,0,0|0,0,2]=4 8758 B16R1.7334 O=C(CCc1cc(ccc1Cl)F)NCCO 527a_100000210304_100012357546 [0,2,0,0,0,0|0,0,2]=4 8759 B16R1.7334 O=C(CCc1cc(ccc1F)Br)NCCO 240690a_100000210304_100000694007 [0,2,0,0,0,0|0,0,2]=4 8760 B16R1.7334 O=C(CCc1cc(ccc1F)Br)NCCO 527a_100000210304_100000694007 [0,2,0,0,0,0|0,0,2]=4 8761 B16R1.7334 O=C(CCc1cc(ccc1F)Cl)NCCO 240690a_100000210304_200012349660 [0,2,0,0,0,0|0,0,2]=4 8762 B16R1.7334 O=C(CCc1cc(ccc1F)Cl)NCCO 527a_100000210304_200012349660 [0,2,0,0,0,0|0,0,2]=4 8763 B16R1.7334 O=C(CCc1cc(ccc1F)F)NCCO 240690a_100000210304_100000744313 [0,2,0,0,0,0|0,0,2]=4 8764 B16R1.7334 O=C(CCc1cc(ccc1F)F)NCCO 527a_100000210304_100000744313 [0,2,0,0,0,0|0,0,2]=4 8765 B16R1.7334 O=C(COc1cc(ccc1Br)Cl)NCCO 240690a_100000210304_100015481456 [0,2,0,0,0,0|1,0,1]=4 8766 B16R1.7334 O=C(COc1cc(ccc1Br)Cl)NCCO 527a_100000210304_100015481456 [0,2,0,0,0,0|1,0,1]=4 8767 B16R1.7334 O=C(COc1cc(ccc1Cl)Cl)NCCO 240690a_100000210304_100000187393 [0,2,0,0,0,0|1,0,1]=4 8768 B16R1.7334 O=C(COc1cc(ccc1Cl)Cl)NCCO 527a_100000210304_100000187393 [0,2,0,0,0,0|1,0,1]=4 8769 B16R1.7334 O=C(COc1cc(ccc1F)F)NCCO 240690a_100000210304_100000752474 [0,2,0,0,0,0|1,0,1]=4 8770 B16R1.7334 O=C(COc1cc(ccc1F)F)NCCO 527a_100000210304_100000752474 [0,2,0,0,0,0|1,0,1]=4 8771 B16R1.7334 O=C(CSc1cc(ccc1Cl)Cl)NCCO 240690a_100000210304_100000179523 [0,2,0,0,0,0|1,0,1]=4 8772 B16R1.7334 O=C(CSc1cc(ccc1Cl)Cl)NCCO 527a_100000210304_100000179523 [0,2,0,0,0,0|1,0,1]=4 8773 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Br)Br 2708a_100000707832_100000210304 [0,2,0,0,0,0|1,0,1]=4 8774 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Br)Br 273464a_100000210304_100000707832 [0,2,0,0,0,0|1,0,1]=4 8775 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Br)Br 273464a_100000707832_100000210304 [0,2,0,0,0,0|1,0,1]=4 8776 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Br)Br 512a_100000707832_100000210304 [0,2,0,0,0,0|1,0,1]=4 8777 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Br)F 2708a_100000742738_100000210304 [0,2,0,0,0,0|1,0,1]=4 8778 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Br)F 273464a_100000210304_100000742738 [0,2,0,0,0,0|1,0,1]=4 8779 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Br)F 273464a_100000742738_100000210304 [0,2,0,0,0,0|1,0,1]=4 8780 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Br)F 512a_100000742738_100000210304 [0,2,0,0,0,0|1,0,1]=4 8781 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Cl)Br 2708a_100025772652_100000210304 [0,2,0,0,0,0|1,0,1]=4 8782 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Cl)Br 273464a_100000210304_100025772652 [0,2,0,0,0,0|1,0,1]=4 8783 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Cl)Br 273464a_100025772652_100000210304 [0,2,0,0,0,0|1,0,1]=4 8784 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Cl)Br 512a_100025772652_100000210304 [0,2,0,0,0,0|1,0,1]=4 8785 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Cl)Cl 2708a_100102946428_100000210304 [0,2,0,0,0,0|1,0,1]=4 8786 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Cl)Cl 273464a_100000210304_100102946428 [0,2,0,0,0,0|1,0,1]=4 8787 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Cl)Cl 273464a_100102946428_100000210304 [0,2,0,0,0,0|1,0,1]=4 8788 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Cl)Cl 512a_100102946428_100000210304 [0,2,0,0,0,0|1,0,1]=4 8789 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Cl)F 2708a_100011830483_100000210304 [0,2,0,0,0,0|1,0,1]=4 8790 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Cl)F 273464a_100000210304_100011830483 [0,2,0,0,0,0|1,0,1]=4 8791 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Cl)F 273464a_100011830483_100000210304 [0,2,0,0,0,0|1,0,1]=4 8792 B16R1.7334 O=C(NCCO)NCc1cc(ccc1Cl)F 512a_100011830483_100000210304 [0,2,0,0,0,0|1,0,1]=4 8793 B16R1.7334 O=C(NCCO)NCc1cc(ccc1F)Br 2708a_100009815772_100000210304 [0,2,0,0,0,0|1,0,1]=4 8794 B16R1.7334 O=C(NCCO)NCc1cc(ccc1F)Br 273464a_100000210304_100009815772 [0,2,0,0,0,0|1,0,1]=4 8795 B16R1.7334 O=C(NCCO)NCc1cc(ccc1F)Br 273464a_100009815772_100000210304 [0,2,0,0,0,0|1,0,1]=4 8796 B16R1.7334 O=C(NCCO)NCc1cc(ccc1F)Br 512a_100009815772_100000210304 [0,2,0,0,0,0|1,0,1]=4 8797 B16R1.7334 O=C(NCCO)NCc1cc(ccc1F)Cl 2708a_100011211646_100000210304 [0,2,0,0,0,0|1,0,1]=4 8798 B16R1.7334 O=C(NCCO)NCc1cc(ccc1F)Cl 273464a_100000210304_100011211646 [0,2,0,0,0,0|1,0,1]=4 8799 B16R1.7334 O=C(NCCO)NCc1cc(ccc1F)Cl 273464a_100011211646_100000210304 [0,2,0,0,0,0|1,0,1]=4 8800 B16R1.7334 O=C(NCCO)NCc1cc(ccc1F)Cl 512a_100011211646_100000210304 [0,2,0,0,0,0|1,0,1]=4 8801 B16R1.7334 O=C(NCCO)NCc1cc(ccc1F)F 2708a_100000752317_100000210304 [0,2,0,0,0,0|1,0,1]=4 8802 B16R1.7334 O=C(NCCO)NCc1cc(ccc1F)F 273464a_100000210304_100000752317 [0,2,0,0,0,0|1,0,1]=4 8803 B16R1.7334 O=C(NCCO)NCc1cc(ccc1F)F 273464a_100000752317_100000210304 [0,2,0,0,0,0|1,0,1]=4 8804 B16R1.7334 O=C(NCCO)NCc1cc(ccc1F)F 512a_100000752317_100000210304 [0,2,0,0,0,0|1,0,1]=4 8805 B16R1.7334 O=C(NCCO)NCc1cc(ccc1O)Br 2708a_100000730032_100000210304 [0,2,0,0,0,0|1,0,1]=4 8806 B16R1.7334 O=C(NCCO)NCc1cc(ccc1O)Br 273464a_100000210304_100000730032 [0,2,0,0,0,0|1,0,1]=4 8807 B16R1.7334 O=C(NCCO)NCc1cc(ccc1O)Br 273464a_100000730032_100000210304 [0,2,0,0,0,0|1,0,1]=4 8808 B16R1.7334 O=C(NCCO)NCc1cc(ccc1O)Br 512a_100000730032_100000210304 [0,2,0,0,0,0|1,0,1]=4 8809 B16R1.7334 O=C(NCCO)NCc1cc(ccc1O)Cl 2708a_100000238540_100000210304 [0,2,0,0,0,0|1,0,1]=4 8810 B16R1.7334 O=C(NCCO)NCc1cc(ccc1O)Cl 273464a_100000210304_100000238540 [0,2,0,0,0,0|1,0,1]=4 8811 B16R1.7334 O=C(NCCO)NCc1cc(ccc1O)Cl 273464a_100000238540_100000210304 [0,2,0,0,0,0|1,0,1]=4 8812 B16R1.7334 O=C(NCCO)NNc1cc(ccc1Br)Br 273464a_100000210304_200011483129 [0,2,0,0,0,0|2,0,0]=4 8813 B16R1.7334 O=C(NCCO)NNc1cc(ccc1Br)F 273464a_100000210304_100012362518 [0,2,0,0,0,0|2,0,0]=4 8814 B16R1.7334 O=C(NCCO)NNc1cc(ccc1Cl)Cl 273464a_100000210304_100000765587 [0,2,0,0,0,0|2,0,0]=4 8815 B16R1.7334 O=C(NCCO)NNc1cc(ccc1Cl)F 273464a_100000210304_100016987657 [0,2,0,0,0,0|2,0,0]=4 8816 B16R1.7334 O=C(NCCO)NNc1cc(ccc1F)Br 273464a_100000210304_100020610843 [0,2,0,0,0,0|2,0,0]=4 8817 B16R1.7334 O=C(NCCO)NNc1cc(ccc1F)Br 512a_100020610843_100000210304 [0,2,0,0,0,0|2,0,0]=4 8818 B16R1.7334 O=C(NCCO)NNc1cc(ccc1F)Cl 273464a_100000210304_100016987663 [0,2,0,0,0,0|2,0,0]=4 8819 B16R1.7334 O=C(NCCO)NNc1cc(ccc1F)F 273464a_100000210304_100000005413 [0,2,0,0,0,0|2,0,0]=4 8820 B16R1.7629 C#CCNC(=O)C=Cc1cc(cc(c1)C)C 11a_100000212058_100016257640 [0,2,0,0,0,0|1,0,1]=4 8821 B16R1.7629 C#CCNC(=O)C=Cc1cc(cc(c1)C)C 1626a_100000212058_100016257640 [0,2,0,0,0,0|1,0,1]=4 8822 B16R1.7629 C#CCNC(=O)C=Cc1cc(cc(c1)C)C 240690a_100000212058_100016257640 [0,2,0,0,0,0|1,0,1]=4 8823 B16R1.7629 C#CCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 11a_100000212058_100000234795 [0,2,0,0,0,0|1,0,1]=4 8824 B16R1.7629 C#CCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 1626a_100000212058_100000234795 [0,2,0,0,0,0|1,0,1]=4 8825 B16R1.7629 C#CCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 240690a_100000212058_100000234795 [0,2,0,0,0,0|1,0,1]=4 8826 B16R1.7629 C#CCNC(=O)C=Cc1cc(cc(c1)Cl)F 11a_100000212058_100012349021 [0,2,0,0,0,0|1,0,1]=4 8827 B16R1.7629 C#CCNC(=O)C=Cc1cc(cc(c1)Cl)F 1626a_100000212058_100012349021 [0,2,0,0,0,0|1,0,1]=4 8828 B16R1.7629 C#CCNC(=O)C=Cc1cc(cc(c1)Cl)F 240690a_100000212058_100012349021 [0,2,0,0,0,0|1,0,1]=4 8829 B16R1.7629 C#CCNC(=O)C=Cc1cc(cc(c1)F)C 11a_100000212058_100102526130 [0,2,0,0,0,0|1,0,1]=4 8830 B16R1.7629 C#CCNC(=O)C=Cc1cc(cc(c1)F)C 1626a_100000212058_100102526130 [0,2,0,0,0,0|1,0,1]=4 8831 B16R1.7629 C#CCNC(=O)C=Cc1cc(cc(c1)F)C 240690a_100000212058_100102526130 [0,2,0,0,0,0|1,0,1]=4 8832 B16R1.7629 C#CCNC(=O)C=Cc1cc(cc(c1)F)F 11a_100000212058_100015207409 [0,2,0,0,0,0|1,0,1]=4 8833 B16R1.7629 C#CCNC(=O)C=Cc1cc(cc(c1)F)F 1626a_100000212058_100015207409 [0,2,0,0,0,0|1,0,1]=4 8834 B16R1.7629 C#CCNC(=O)C=Cc1cc(cc(c1)F)F 240690a_100000212058_100015207409 [0,2,0,0,0,0|1,0,1]=4 8835 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)C)C 1626a_100020586998_100016257640 [0,2,0,0,0,0|1,0,1]=4 8836 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)C)C 240690a_100020586998_100016257640 [0,2,0,0,0,0|1,0,1]=4 8837 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 1626a_100020586998_100000234795 [0,2,0,0,0,0|1,0,1]=4 8838 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 240690a_100020586998_100000234795 [0,2,0,0,0,0|1,0,1]=4 8839 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)Cl)F 1626a_100020586998_100012349021 [0,2,0,0,0,0|1,0,1]=4 8840 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)Cl)F 240690a_100020586998_100012349021 [0,2,0,0,0,0|1,0,1]=4 8841 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)F)C 1626a_100020586998_100102526130 [0,2,0,0,0,0|1,0,1]=4 8842 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)F)C 240690a_100020586998_100102526130 [0,2,0,0,0,0|1,0,1]=4 8843 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)F)F 1626a_100020586998_100015207409 [0,2,0,0,0,0|1,0,1]=4 8844 B16R1.7629 C=CCNC(=O)C=Cc1cc(cc(c1)F)F 240690a_100020586998_100015207409 [0,2,0,0,0,0|1,0,1]=4 8845 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)Br)Br 6a_100000719502_100000032102 [0,2,0,0,0,0|2,0,0]=4 8846 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)Br)C 6a_100000686105_100000032102 [0,2,0,0,0,0|2,0,0]=4 8847 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)Br)Cl 6a_100011934515_100000032102 [0,2,0,0,0,0|2,0,0]=4 8848 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)Br)F 6a_100011794424_100000032102 [0,2,0,0,0,0|2,0,0]=4 8849 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)Br)O 6a_100010176088_100000032102 [0,2,0,0,0,0|2,0,0]=4 8850 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)C)C 1458a_100016257640_100000210211 [0,2,0,0,0,0|2,0,0]=4 8851 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)C)C 6a_100000745632_100000032102 [0,2,0,0,0,0|2,0,0]=4 8852 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)Cl)C 6a_100000684525_100000032102 [0,2,0,0,0,0|2,0,0]=4 8853 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 1458a_100000234795_100000210211 [0,2,0,0,0,0|2,0,0]=4 8854 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)Cl)Cl 6a_100000741761_100000032102 [0,2,0,0,0,0|2,0,0]=4 8855 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)Cl)F 1458a_100012349021_100000210211 [0,2,0,0,0,0|2,0,0]=4 8856 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)Cl)F 6a_100000703917_100000032102 [0,2,0,0,0,0|2,0,0]=4 8857 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)Cl)O 6a_100000050827_100000032102 [0,2,0,0,0,0|2,0,0]=4 8858 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)F)C 1458a_100102526130_100000210211 [0,2,0,0,0,0|2,0,0]=4 8859 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)F)C 6a_100011217087_100000032102 [0,2,0,0,0,0|2,0,0]=4 8860 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)F)F 1458a_100015207409_100000210211 [0,2,0,0,0,0|2,0,0]=4 8861 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)F)F 6a_100000743029_100000032102 [0,2,0,0,0,0|2,0,0]=4 8862 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)F)O 6a_100000703664_100000032102 [0,2,0,0,0,0|2,0,0]=4 8863 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)I)Br 6a_100010185649_100000032102 [0,2,0,0,0,0|2,0,0]=4 8864 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)I)F 6a_100010185655_100000032102 [0,2,0,0,0,0|2,0,0]=4 8865 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)I)I 6a_100010185653_100000032102 [0,2,0,0,0,0|2,0,0]=4 8866 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)O)C 6a_100009853434_100000032102 [0,2,0,0,0,0|2,0,0]=4 8867 B16R1.7629 CCCCC(=O)C=Cc1cc(cc(c1)O)O 6a_100000043415_100000032102 [0,2,0,0,0,0|2,0,0]=4 8868 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)C)C 11a_100020643023_100016257640 [0,2,0,0,0,0|1,0,0]=3 8869 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)C)C 1626a_100020643023_100016257640 [0,2,0,0,0,0|1,0,0]=3 8870 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)C)C 240690a_100020643023_100016257640 [0,2,0,0,0,0|1,0,0]=3 8871 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 11a_100020643023_100000234795 [0,2,0,0,0,0|1,0,0]=3 8872 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 1626a_100020643023_100000234795 [0,2,0,0,0,0|1,0,0]=3 8873 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 240690a_100020643023_100000234795 [0,2,0,0,0,0|1,0,0]=3 8874 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)Cl)F 11a_100020643023_100012349021 [0,2,0,0,0,0|1,0,0]=3 8875 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)Cl)F 1626a_100020643023_100012349021 [0,2,0,0,0,0|1,0,0]=3 8876 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)Cl)F 240690a_100020643023_100012349021 [0,2,0,0,0,0|1,0,0]=3 8877 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)F)C 11a_100020643023_100102526130 [0,2,0,0,0,0|1,0,0]=3 8878 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)F)C 1626a_100020643023_100102526130 [0,2,0,0,0,0|1,0,0]=3 8879 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)F)C 240690a_100020643023_100102526130 [0,2,0,0,0,0|1,0,0]=3 8880 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)F)F 11a_100020643023_100015207409 [0,2,0,0,0,0|1,0,0]=3 8881 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)F)F 1626a_100020643023_100015207409 [0,2,0,0,0,0|1,0,0]=3 8882 B16R1.7629 CCCNC(=O)C=Cc1cc(cc(c1)F)F 240690a_100020643023_100015207409 [0,2,0,0,0,0|1,0,0]=3 8883 B16R1.7629 CCNNC(=O)C=Cc1cc(cc(c1)C)C 22a_100000756455_100016257640 [0,2,0,0,0,0|2,0,0]=4 8884 B16R1.7629 CCNNC(=O)C=Cc1cc(cc(c1)Cl)Cl 22a_100000756455_100000234795 [0,2,0,0,0,0|2,0,0]=4 8885 B16R1.7629 CCNNC(=O)C=Cc1cc(cc(c1)Cl)F 22a_100000756455_100012349021 [0,2,0,0,0,0|2,0,0]=4 8886 B16R1.7629 CCNNC(=O)C=Cc1cc(cc(c1)F)C 22a_100000756455_100102526130 [0,2,0,0,0,0|2,0,0]=4 8887 B16R1.7629 CCNNC(=O)C=Cc1cc(cc(c1)F)F 22a_100000756455_100015207409 [0,2,0,0,0,0|2,0,0]=4 8888 B16R1.7629 CCNNC(=O)C=Cc1cc(cc(c1)O)O 22a_100000756455_200016280741 [0,2,0,0,0,0|2,0,0]=4 8889 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)CCCBr)Br 6a_100000686105_100000685027 [0,2,0,0,0,0|2,0,0]=4 8890 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)CCCBr)C 6a_100000745632_100000685027 [0,2,0,0,0,0|2,0,0]=4 8891 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)CCCBr)Cl 6a_100000684525_100000685027 [0,2,0,0,0,0|2,0,0]=4 8892 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)CCCBr)F 6a_100011217087_100000685027 [0,2,0,0,0,0|2,0,0]=4 8893 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)CCCBr)O 6a_100009853434_100000685027 [0,2,0,0,0,0|2,0,0]=4 8894 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)CCCCl)Br 6a_100000686105_100011215641 [0,2,0,0,0,0|2,0,0]=4 8895 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)CCCCl)C 6a_100000745632_100011215641 [0,2,0,0,0,0|2,0,0]=4 8896 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)CCCCl)Cl 6a_100000684525_100011215641 [0,2,0,0,0,0|2,0,0]=4 8897 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)CCCCl)F 6a_100011217087_100011215641 [0,2,0,0,0,0|2,0,0]=4 8898 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)CCCCl)O 6a_100009853434_100011215641 [0,2,0,0,0,0|2,0,0]=4 8899 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)CCCF)C 1458a_100016257640_100011934791 [0,2,0,0,0,0|2,0,0]=4 8900 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)CCCF)F 1458a_100102526130_100011934791 [0,2,0,0,0,0|2,0,0]=4 8901 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)CCCO)C 1458a_100016257640_100011215043 [0,2,0,0,0,0|1,0,0]=3 8902 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)CCCO)F 1458a_100102526130_100011215043 [0,2,0,0,0,0|1,0,0]=3 8903 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)NCC#N)C 1626a_100000734998_100016257640 [0,2,0,0,0,0|1,0,1]=4 8904 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)NCC#N)F 1626a_100000734998_100102526130 [0,2,0,0,0,0|1,0,1]=4 8905 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)NCCF)C 11a_100000724931_100016257640 [0,2,0,0,0,0|1,0,0]=3 8906 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)NCCF)C 1626a_100000724931_100016257640 [0,2,0,0,0,0|1,0,0]=3 8907 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)NCCF)C 240690a_100000724931_100016257640 [0,2,0,0,0,0|1,0,0]=3 8908 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)NCCF)F 11a_100000724931_100102526130 [0,2,0,0,0,0|1,0,0]=3 8909 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)NCCF)F 1626a_100000724931_100102526130 [0,2,0,0,0,0|1,0,0]=3 8910 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)NCCF)F 240690a_100000724931_100102526130 [0,2,0,0,0,0|1,0,0]=3 8911 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)NCCO)C 240690a_100000210304_100016257640 [0,2,0,0,0,0|0,0,0]=2 8912 B16R1.7629 Cc1cc(cc(c1)C=CC(=O)NCCO)F 240690a_100000210304_100102526130 [0,2,0,0,0,0|0,0,0]=2 8913 B16R1.7629 Cc1cc(cc(c1)CCC(=O)NCCO)C 240690a_100000210304_100000688337 [0,2,0,0,0,0|0,0,2]=4 8914 B16R1.7629 Cc1cc(cc(c1)CCC(=O)NCCO)C 527a_100000210304_100000688337 [0,2,0,0,0,0|0,0,2]=4 8915 B16R1.7629 Cc1cc(cc(c1)CNC(=O)NCCO)C 2708a_100020591340_100000210304 [0,2,0,0,0,0|1,0,1]=4 8916 B16R1.7629 Cc1cc(cc(c1)CNC(=O)NCCO)C 273464a_100000210304_100020591340 [0,2,0,0,0,0|1,0,1]=4 8917 B16R1.7629 Cc1cc(cc(c1)CNC(=O)NCCO)C 273464a_100020591340_100000210304 [0,2,0,0,0,0|1,0,1]=4 8918 B16R1.7629 Cc1cc(cc(c1)CNC(=O)NCCO)C 512a_100020591340_100000210304 [0,2,0,0,0,0|1,0,1]=4 8919 B16R1.7629 Cc1cc(cc(c1)CNC(=O)NCCO)F 2708a_100011830484_100000210304 [0,2,0,0,0,0|1,0,1]=4 8920 B16R1.7629 Cc1cc(cc(c1)CNC(=O)NCCO)F 273464a_100000210304_100011830484 [0,2,0,0,0,0|1,0,1]=4 8921 B16R1.7629 Cc1cc(cc(c1)CNC(=O)NCCO)F 273464a_100011830484_100000210304 [0,2,0,0,0,0|1,0,1]=4 8922 B16R1.7629 Cc1cc(cc(c1)CNC(=O)NCCO)F 512a_100011830484_100000210304 [0,2,0,0,0,0|1,0,1]=4 8923 B16R1.7629 Cc1cc(cc(c1)NNC(=O)NCCO)C 273464a_100000210304_100000184486 [0,2,0,0,0,0|2,0,0]=4 8924 B16R1.7629 Cc1cc(cc(c1)NNC(=O)NCCO)C 512a_100000184486_100000210304 [0,2,0,0,0,0|2,0,0]=4 8925 B16R1.7629 Cc1cc(cc(c1)OCC(=O)NCCO)C 240690a_100000210304_100000182991 [0,2,0,0,0,0|1,0,1]=4 8926 B16R1.7629 Cc1cc(cc(c1)OCC(=O)NCCO)C 527a_100000210304_100000182991 [0,2,0,0,0,0|1,0,1]=4 8927 B16R1.7629 N#CCNC(=O)C=Cc1cc(cc(c1)Cl)Cl 1626a_100000734998_100000234795 [0,2,0,0,0,0|1,0,1]=4 8928 B16R1.7629 N#CCNC(=O)C=Cc1cc(cc(c1)Cl)F 1626a_100000734998_100012349021 [0,2,0,0,0,0|1,0,1]=4 8929 B16R1.7629 N#CCNC(=O)C=Cc1cc(cc(c1)F)F 1626a_100000734998_100015207409 [0,2,0,0,0,0|1,0,1]=4 8930 B16R1.7629 O=C(C=Cc1cc(cc(c1)Br)Br)CCCBr 6a_100000719502_100000685027 [0,2,0,0,0,0|2,0,0]=4 8931 B16R1.7629 O=C(C=Cc1cc(cc(c1)Br)Br)CCCCl 6a_100000719502_100011215641 [0,2,0,0,0,0|2,0,0]=4 8932 B16R1.7629 O=C(C=Cc1cc(cc(c1)Br)Cl)CCCBr 6a_100011934515_100000685027 [0,2,0,0,0,0|2,0,0]=4 8933 B16R1.7629 O=C(C=Cc1cc(cc(c1)Br)Cl)CCCCl 6a_100011934515_100011215641 [0,2,0,0,0,0|2,0,0]=4 8934 B16R1.7629 O=C(C=Cc1cc(cc(c1)Br)F)CCCBr 6a_100011794424_100000685027 [0,2,0,0,0,0|2,0,0]=4 8935 B16R1.7629 O=C(C=Cc1cc(cc(c1)Br)F)CCCCl 6a_100011794424_100011215641 [0,2,0,0,0,0|2,0,0]=4 8936 B16R1.7629 O=C(C=Cc1cc(cc(c1)Br)O)CCCBr 6a_100010176088_100000685027 [0,2,0,0,0,0|2,0,0]=4 8937 B16R1.7629 O=C(C=Cc1cc(cc(c1)Br)O)CCCCl 6a_100010176088_100011215641 [0,2,0,0,0,0|2,0,0]=4 8938 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)Cl)CCCBr 6a_100000741761_100000685027 [0,2,0,0,0,0|2,0,0]=4 8939 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)Cl)CCCCl 6a_100000741761_100011215641 [0,2,0,0,0,0|2,0,0]=4 8940 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)Cl)CCCF 1458a_100000234795_100011934791 [0,2,0,0,0,0|2,0,0]=4 8941 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)Cl)CCCO 1458a_100000234795_100011215043 [0,2,0,0,0,0|1,0,0]=3 8942 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)Cl)NCCF 11a_100000724931_100000234795 [0,2,0,0,0,0|1,0,0]=3 8943 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)Cl)NCCF 1626a_100000724931_100000234795 [0,2,0,0,0,0|1,0,0]=3 8944 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)Cl)NCCF 240690a_100000724931_100000234795 [0,2,0,0,0,0|1,0,0]=3 8945 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)Cl)NCCO 240690a_100000210304_100000234795 [0,2,0,0,0,0|0,0,0]=2 8946 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)F)CCCBr 6a_100000703917_100000685027 [0,2,0,0,0,0|2,0,0]=4 8947 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)F)CCCCl 6a_100000703917_100011215641 [0,2,0,0,0,0|2,0,0]=4 8948 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)F)CCCF 1458a_100012349021_100011934791 [0,2,0,0,0,0|2,0,0]=4 8949 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)F)CCCO 1458a_100012349021_100011215043 [0,2,0,0,0,0|1,0,0]=3 8950 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)F)NCCF 11a_100000724931_100012349021 [0,2,0,0,0,0|1,0,0]=3 8951 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)F)NCCF 1626a_100000724931_100012349021 [0,2,0,0,0,0|1,0,0]=3 8952 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)F)NCCF 240690a_100000724931_100012349021 [0,2,0,0,0,0|1,0,0]=3 8953 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)F)NCCO 240690a_100000210304_100012349021 [0,2,0,0,0,0|0,0,0]=2 8954 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)O)CCCBr 6a_100000050827_100000685027 [0,2,0,0,0,0|2,0,0]=4 8955 B16R1.7629 O=C(C=Cc1cc(cc(c1)Cl)O)CCCCl 6a_100000050827_100011215641 [0,2,0,0,0,0|2,0,0]=4 8956 B16R1.7629 O=C(C=Cc1cc(cc(c1)F)F)CCCBr 6a_100000743029_100000685027 [0,2,0,0,0,0|2,0,0]=4 8957 B16R1.7629 O=C(C=Cc1cc(cc(c1)F)F)CCCCl 6a_100000743029_100011215641 [0,2,0,0,0,0|2,0,0]=4 8958 B16R1.7629 O=C(C=Cc1cc(cc(c1)F)F)CCCF 1458a_100015207409_100011934791 [0,2,0,0,0,0|2,0,0]=4 8959 B16R1.7629 O=C(C=Cc1cc(cc(c1)F)F)CCCO 1458a_100015207409_100011215043 [0,2,0,0,0,0|1,0,0]=3 8960 B16R1.7629 O=C(C=Cc1cc(cc(c1)F)F)NCCF 11a_100000724931_100015207409 [0,2,0,0,0,0|1,0,0]=3 8961 B16R1.7629 O=C(C=Cc1cc(cc(c1)F)F)NCCF 1626a_100000724931_100015207409 [0,2,0,0,0,0|1,0,0]=3 8962 B16R1.7629 O=C(C=Cc1cc(cc(c1)F)F)NCCF 240690a_100000724931_100015207409 [0,2,0,0,0,0|1,0,0]=3 8963 B16R1.7629 O=C(C=Cc1cc(cc(c1)F)F)NCCO 240690a_100000210304_100015207409 [0,2,0,0,0,0|0,0,0]=2 8964 B16R1.7629 O=C(C=Cc1cc(cc(c1)F)O)CCCBr 6a_100000703664_100000685027 [0,2,0,0,0,0|2,0,0]=4 8965 B16R1.7629 O=C(C=Cc1cc(cc(c1)F)O)CCCCl 6a_100000703664_100011215641 [0,2,0,0,0,0|2,0,0]=4 8966 B16R1.7629 O=C(C=Cc1cc(cc(c1)I)Br)CCCBr 6a_100010185649_100000685027 [0,2,0,0,0,0|2,0,0]=4 8967 B16R1.7629 O=C(C=Cc1cc(cc(c1)I)Br)CCCCl 6a_100010185649_100011215641 [0,2,0,0,0,0|2,0,0]=4 8968 B16R1.7629 O=C(C=Cc1cc(cc(c1)I)F)CCCBr 6a_100010185655_100000685027 [0,2,0,0,0,0|2,0,0]=4 8969 B16R1.7629 O=C(C=Cc1cc(cc(c1)I)F)CCCCl 6a_100010185655_100011215641 [0,2,0,0,0,0|2,0,0]=4 8970 B16R1.7629 O=C(C=Cc1cc(cc(c1)I)I)CCCCl 6a_100010185653_100011215641 [0,2,0,0,0,0|2,0,0]=4 8971 B16R1.7629 O=C(C=Cc1cc(cc(c1)O)O)CCCBr 6a_100000043415_100000685027 [0,2,0,0,0,0|2,0,0]=4 8972 B16R1.7629 O=C(C=Cc1cc(cc(c1)O)O)CCCCl 6a_100000043415_100011215641 [0,2,0,0,0,0|2,0,0]=4 8973 B16R1.7629 O=C(CCc1cc(cc(c1)Br)Br)NCCO 240690a_100000210304_100010253072 [0,2,0,0,0,0|0,0,2]=4 8974 B16R1.7629 O=C(CCc1cc(cc(c1)Br)Br)NCCO 527a_100000210304_100010253072 [0,2,0,0,0,0|0,0,2]=4 8975 B16R1.7629 O=C(CCc1cc(cc(c1)Br)F)NCCO 240690a_100000210304_100012357547 [0,2,0,0,0,0|0,0,2]=4 8976 B16R1.7629 O=C(CCc1cc(cc(c1)Br)F)NCCO 527a_100000210304_100012357547 [0,2,0,0,0,0|0,0,2]=4 8977 B16R1.7629 O=C(CCc1cc(cc(c1)Cl)Cl)NCCO 240690a_100000210304_100000689174 [0,2,0,0,0,0|0,0,2]=4 8978 B16R1.7629 O=C(CCc1cc(cc(c1)Cl)Cl)NCCO 527a_100000210304_100000689174 [0,2,0,0,0,0|0,0,2]=4 8979 B16R1.7629 O=C(CCc1cc(cc(c1)F)F)NCCO 240690a_100000210304_100011934504 [0,2,0,0,0,0|0,0,2]=4 8980 B16R1.7629 O=C(CCc1cc(cc(c1)F)F)NCCO 527a_100000210304_100011934504 [0,2,0,0,0,0|0,0,2]=4 8981 B16R1.7629 O=C(COc1cc(cc(c1)Br)Cl)NCCO 240690a_100000210304_100010899942 [0,2,0,0,0,0|1,0,1]=4 8982 B16R1.7629 O=C(COc1cc(cc(c1)Br)Cl)NCCO 527a_100000210304_100010899942 [0,2,0,0,0,0|1,0,1]=4 8983 B16R1.7629 O=C(COc1cc(cc(c1)Cl)Cl)NCCO 240690a_100000210304_100000764634 [0,2,0,0,0,0|1,0,1]=4 8984 B16R1.7629 O=C(COc1cc(cc(c1)Cl)Cl)NCCO 527a_100000210304_100000764634 [0,2,0,0,0,0|1,0,1]=4 8985 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Br)Br 2708a_100015211796_100000210304 [0,2,0,0,0,0|1,0,1]=4 8986 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Br)Br 273464a_100000210304_100015211796 [0,2,0,0,0,0|1,0,1]=4 8987 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Br)Br 273464a_100015211796_100000210304 [0,2,0,0,0,0|1,0,1]=4 8988 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Br)Br 512a_100015211796_100000210304 [0,2,0,0,0,0|1,0,1]=4 8989 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Br)F 2708a_100020611034_100000210304 [0,2,0,0,0,0|1,0,1]=4 8990 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Br)F 273464a_100000210304_100020611034 [0,2,0,0,0,0|1,0,1]=4 8991 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Br)F 273464a_100020611034_100000210304 [0,2,0,0,0,0|1,0,1]=4 8992 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Br)F 512a_100020611034_100000210304 [0,2,0,0,0,0|1,0,1]=4 8993 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Cl)Cl 2708a_100011211636_100000210304 [0,2,0,0,0,0|1,0,1]=4 8994 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Cl)Cl 273464a_100000210304_100011211636 [0,2,0,0,0,0|1,0,1]=4 8995 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Cl)Cl 512a_100011211636_100000210304 [0,2,0,0,0,0|1,0,1]=4 8996 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Cl)F 2708a_100137329012_100000210304 [0,2,0,0,0,0|1,0,1]=4 8997 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Cl)F 273464a_100000210304_100137329012 [0,2,0,0,0,0|1,0,1]=4 8998 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Cl)F 273464a_100137329012_100000210304 [0,2,0,0,0,0|1,0,1]=4 8999 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Cl)F 512a_100137329012_100000210304 [0,2,0,0,0,0|1,0,1]=4 9000 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Cl)O 2708a_107254831445_100000210304 [0,2,0,0,0,0|1,0,1]=4 9001 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Cl)O 273464a_100000210304_107254831445 [0,2,0,0,0,0|1,0,1]=4 9002 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Cl)O 273464a_107254831445_100000210304 [0,2,0,0,0,0|1,0,1]=4 9003 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)Cl)O 512a_107254831445_100000210304 [0,2,0,0,0,0|1,0,1]=4 9004 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)F)F 2708a_100000737602_100000210304 [0,2,0,0,0,0|1,0,1]=4 9005 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)F)F 273464a_100000210304_100000737602 [0,2,0,0,0,0|1,0,1]=4 9006 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)F)F 273464a_100000737602_100000210304 [0,2,0,0,0,0|1,0,1]=4 9007 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)F)F 512a_100000737602_100000210304 [0,2,0,0,0,0|1,0,1]=4 9008 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)F)O 2708a_100160469513_100000210304 [0,2,0,0,0,0|1,0,1]=4 9009 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)F)O 273464a_100000210304_100160469513 [0,2,0,0,0,0|1,0,1]=4 9010 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)F)O 273464a_100160469513_100000210304 [0,2,0,0,0,0|1,0,1]=4 9011 B16R1.7629 O=C(NCCO)NCc1cc(cc(c1)F)O 512a_100160469513_100000210304 [0,2,0,0,0,0|1,0,1]=4 9012 B16R1.7629 O=C(NCCO)NNc1cc(cc(c1)Cl)Cl 273464a_100000210304_100000716695 [0,2,0,0,0,0|2,0,0]=4 9013 B16R1.7629 O=C(NCCO)NNc1cc(cc(c1)Cl)Cl 512a_100000716695_100000210304 [0,2,0,0,0,0|2,0,0]=4 9014 B16R1.7629 O=C(NCCO)NNc1cc(cc(c1)F)F 273464a_100000210304_100000744470 [0,2,0,0,0,0|2,0,0]=4 9015 B16R1.7629 O=C(NCCO)NNc1cc(cc(c1)F)F 512a_100000744470_100000210304 [0,2,0,0,0,0|2,0,0]=4 9016 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Br 11a_100000765925_100016258244 [0,2,0,0,0,0|1,0,1]=4 9017 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Br 1626a_100000765925_100016258244 [0,2,0,0,0,0|1,0,1]=4 9018 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000765925_100016258244 [0,2,0,0,0,0|1,0,1]=4 9019 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)C 11a_100000765925_100000690095 [0,2,0,0,0,0|1,0,1]=4 9020 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)C 1626a_100000765925_100000690095 [0,2,0,0,0,0|1,0,1]=4 9021 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)C 240690a_100000765925_100000690095 [0,2,0,0,0,0|1,0,1]=4 9022 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Cl 11a_100000765925_100000184502 [0,2,0,0,0,0|1,0,1]=4 9023 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Cl 1626a_100000765925_100000184502 [0,2,0,0,0,0|1,0,1]=4 9024 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000765925_100000184502 [0,2,0,0,0,0|1,0,1]=4 9025 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)F 11a_100000765925_100000718793 [0,2,0,0,0,0|1,0,1]=4 9026 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)F 1626a_100000765925_100000718793 [0,2,0,0,0,0|1,0,1]=4 9027 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)F 240690a_100000765925_100000718793 [0,2,0,0,0,0|1,0,1]=4 9028 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)I 11a_100000765925_100020647043 [0,2,0,0,0,0|1,0,1]=4 9029 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)I 1626a_100000765925_100020647043 [0,2,0,0,0,0|1,0,1]=4 9030 B16R1.11227 C=C(C)CNC(=O)C=Cc1cccc(c1)I 240690a_100000765925_100020647043 [0,2,0,0,0,0|1,0,1]=4 9031 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210312 [0,2,0,0,0,0|2,0,0]=4 9032 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000210476 [0,2,0,0,0,0|2,0,0]=4 9033 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210312 [0,2,0,0,0,0|2,0,0]=4 9034 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210312 [0,2,0,0,0,0|2,0,0]=4 9035 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000210476 [0,2,0,0,0,0|2,0,0]=4 9036 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210312 [0,2,0,0,0,0|2,0,0]=4 9037 B16R1.11227 CC(C)CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000210476 [0,2,0,0,0,0|2,0,0]=4 9038 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Br 11a_100000210953_100016258244 [0,2,0,0,0,0|1,0,0]=3 9039 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Br 1626a_100000210953_100016258244 [0,2,0,0,0,0|1,0,0]=3 9040 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000210953_100016258244 [0,2,0,0,0,0|1,0,0]=3 9041 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl 11a_100000210953_100000184502 [0,2,0,0,0,0|1,0,0]=3 9042 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl 1626a_100000210953_100000184502 [0,2,0,0,0,0|1,0,0]=3 9043 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000210953_100000184502 [0,2,0,0,0,0|1,0,0]=3 9044 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)F 11a_100000210953_100000718793 [0,2,0,0,0,0|1,0,0]=3 9045 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)F 1626a_100000210953_100000718793 [0,2,0,0,0,0|1,0,0]=3 9046 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)F 240690a_100000210953_100000718793 [0,2,0,0,0,0|1,0,0]=3 9047 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)I 11a_100000210953_100020647043 [0,2,0,0,0,0|1,0,0]=3 9048 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)I 1626a_100000210953_100020647043 [0,2,0,0,0,0|1,0,0]=3 9049 B16R1.11227 CC(C)CNC(=O)C=Cc1cccc(c1)I 240690a_100000210953_100020647043 [0,2,0,0,0,0|1,0,0]=3 9050 B16R1.11227 CC(C)NNC(=O)C=Cc1cccc(c1)Br 22a_100000741168_100016258244 [0,2,0,0,0,0|2,0,0]=4 9051 B16R1.11227 CC(C)NNC(=O)C=Cc1cccc(c1)Cl 22a_100000741168_100000184502 [0,2,0,0,0,0|2,0,0]=4 9052 B16R1.11227 CC(C)NNC(=O)C=Cc1cccc(c1)F 22a_100000741168_100000718793 [0,2,0,0,0,0|2,0,0]=4 9053 B16R1.11227 CC(C)NNC(=O)C=Cc1cccc(c1)I 22a_100000741168_100020647043 [0,2,0,0,0,0|2,0,0]=4 9054 B16R1.11227 CC(C)NNC(=O)C=Cc1cccc(c1)O 22a_100000741168_100102525460 [0,2,0,0,0,0|2,0,0]=4 9055 B16R1.11227 CC(O)CCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100012276601 [0,2,0,0,0,0|1,0,0]=3 9056 B16R1.11227 CC(O)CCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100012276601 [0,2,0,0,0,0|1,0,0]=3 9057 B16R1.11227 CC(O)CCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100012276601 [0,2,0,0,0,0|1,0,0]=3 9058 B16R1.11227 CC(O)CCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100012276601 [0,2,0,0,0,0|1,0,0]=3 9059 B16R1.11227 CC(O)CNC(=O)C#Cc1cccc(c1)Cl 240690a_100000210904_100011892777 [0,2,0,0,0,0|0,0,2]=4 9060 B16R1.11227 CC(O)CNC(=O)C#Cc1cccc(c1)F 240690a_100000210904_100011892744 [0,2,0,0,0,0|0,0,2]=4 9061 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Br 11a_100000210904_100016258244 [0,2,0,0,0,0|0,0,0]=2 9062 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000210904_100016258244 [0,2,0,0,0,0|0,0,0]=2 9063 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Cl 11a_100000210904_100000184502 [0,2,0,0,0,0|0,0,0]=2 9064 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000210904_100000184502 [0,2,0,0,0,0|0,0,0]=2 9065 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)F 11a_100000210904_100000718793 [0,2,0,0,0,0|0,0,0]=2 9066 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)F 240690a_100000210904_100000718793 [0,2,0,0,0,0|0,0,0]=2 9067 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)I 11a_100000210904_100020647043 [0,2,0,0,0,0|0,0,0]=2 9068 B16R1.11227 CC(O)CNC(=O)C=Cc1cccc(c1)I 240690a_100000210904_100020647043 [0,2,0,0,0,0|0,0,0]=2 9069 B16R1.11227 CC(O)CNC(=O)CCc1cccc(c1)Br 11a_100000210904_100000184314 [0,2,0,0,0,0|0,0,2]=4 9070 B16R1.11227 CC(O)CNC(=O)CCc1cccc(c1)Br 240690a_100000210904_100000184314 [0,2,0,0,0,0|0,0,2]=4 9071 B16R1.11227 CC(O)CNC(=O)CCc1cccc(c1)Br 527a_100000210904_100000184314 [0,2,0,0,0,0|0,0,2]=4 9072 B16R1.11227 CC(O)CNC(=O)CCc1cccc(c1)Cl 11a_100000210904_100000235675 [0,2,0,0,0,0|0,0,2]=4 9073 B16R1.11227 CC(O)CNC(=O)CCc1cccc(c1)Cl 240690a_100000210904_100000235675 [0,2,0,0,0,0|0,0,2]=4 9074 B16R1.11227 CC(O)CNC(=O)CCc1cccc(c1)Cl 527a_100000210904_100000235675 [0,2,0,0,0,0|0,0,2]=4 9075 B16R1.11227 CC(O)CNC(=O)CCc1cccc(c1)F 11a_100000210904_100000235673 [0,2,0,0,0,0|0,0,2]=4 9076 B16R1.11227 CC(O)CNC(=O)CCc1cccc(c1)F 240690a_100000210904_100000235673 [0,2,0,0,0,0|0,0,2]=4 9077 B16R1.11227 CC(O)CNC(=O)CCc1cccc(c1)F 527a_100000210904_100000235673 [0,2,0,0,0,0|0,0,2]=4 9078 B16R1.11227 CC(O)CNC(=O)CCc1cccc(c1)I 11a_100000210904_100010007846 [0,2,0,0,0,0|0,0,2]=4 9079 B16R1.11227 CC(O)CNC(=O)CCc1cccc(c1)I 240690a_100000210904_100010007846 [0,2,0,0,0,0|0,0,2]=4 9080 B16R1.11227 CC(O)CNC(=O)CCc1cccc(c1)I 527a_100000210904_100010007846 [0,2,0,0,0,0|0,0,2]=4 9081 B16R1.11227 CC(O)CNC(=O)CCc1cccc(c1)O 240690a_100000210904_100011216126 [0,2,0,0,0,0|0,0,2]=4 9082 B16R1.11227 CC(O)CNC(=O)CCc1cccc(c1)O 527a_100000210904_100011216126 [0,2,0,0,0,0|0,0,2]=4 9083 B16R1.11227 CC(O)CNC(=O)COc1cccc(c1)Br 11a_100000210904_100000182359 [0,2,0,0,0,0|1,0,1]=4 9084 B16R1.11227 CC(O)CNC(=O)COc1cccc(c1)Br 240690a_100000210904_100000182359 [0,2,0,0,0,0|1,0,1]=4 9085 B16R1.11227 CC(O)CNC(=O)COc1cccc(c1)Br 527a_100000210904_100000182359 [0,2,0,0,0,0|1,0,1]=4 9086 B16R1.11227 CC(O)CNC(=O)COc1cccc(c1)Cl 11a_100000210904_100000184978 [0,2,0,0,0,0|1,0,1]=4 9087 B16R1.11227 CC(O)CNC(=O)COc1cccc(c1)Cl 240690a_100000210904_100000184978 [0,2,0,0,0,0|1,0,1]=4 9088 B16R1.11227 CC(O)CNC(=O)COc1cccc(c1)Cl 527a_100000210904_100000184978 [0,2,0,0,0,0|1,0,1]=4 9089 B16R1.11227 CC(O)CNC(=O)COc1cccc(c1)F 11a_100000210904_100000182781 [0,2,0,0,0,0|1,0,1]=4 9090 B16R1.11227 CC(O)CNC(=O)COc1cccc(c1)F 240690a_100000210904_100000182781 [0,2,0,0,0,0|1,0,1]=4 9091 B16R1.11227 CC(O)CNC(=O)COc1cccc(c1)F 527a_100000210904_100000182781 [0,2,0,0,0,0|1,0,1]=4 9092 B16R1.11227 CC(O)CNC(=O)CSc1cccc(c1)Br 11a_100000210904_100000760868 [0,2,0,0,0,0|1,0,1]=4 9093 B16R1.11227 CC(O)CNC(=O)CSc1cccc(c1)Br 240690a_100000210904_100000760868 [0,2,0,0,0,0|1,0,1]=4 9094 B16R1.11227 CC(O)CNC(=O)CSc1cccc(c1)Br 527a_100000210904_100000760868 [0,2,0,0,0,0|1,0,1]=4 9095 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)Br 2708a_100000174977_100000210904 [0,2,0,0,0,0|1,0,1]=4 9096 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100000210904 [0,2,0,0,0,0|1,0,1]=4 9097 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)Br 273464a_100000210904_100000174977 [0,2,0,0,0,0|1,0,1]=4 9098 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)Br 512a_100000174977_100000210904 [0,2,0,0,0,0|1,0,1]=4 9099 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)Br 512a_100000210904_100000174977 [0,2,0,0,0,0|1,0,1]=4 9100 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_100000210904 [0,2,0,0,0,0|1,0,1]=4 9101 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100000210904 [0,2,0,0,0,0|1,0,1]=4 9102 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)Cl 273464a_100000210904_100000174878 [0,2,0,0,0,0|1,0,1]=4 9103 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)Cl 512a_100000174878_100000210904 [0,2,0,0,0,0|1,0,1]=4 9104 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)Cl 512a_100000210904_100000174878 [0,2,0,0,0,0|1,0,1]=4 9105 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)F 2708a_100000174948_100000210904 [0,2,0,0,0,0|1,0,1]=4 9106 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)F 273464a_100000174948_100000210904 [0,2,0,0,0,0|1,0,1]=4 9107 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)F 273464a_100000210904_100000174948 [0,2,0,0,0,0|1,0,1]=4 9108 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)F 512a_100000174948_100000210904 [0,2,0,0,0,0|1,0,1]=4 9109 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)F 512a_100000210904_100000174948 [0,2,0,0,0,0|1,0,1]=4 9110 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)I 2708a_100000106179_100000210904 [0,2,0,0,0,0|1,0,1]=4 9111 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)I 273464a_100000106179_100000210904 [0,2,0,0,0,0|1,0,1]=4 9112 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)I 273464a_100000210904_100000106179 [0,2,0,0,0,0|1,0,1]=4 9113 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)I 512a_100000106179_100000210904 [0,2,0,0,0,0|1,0,1]=4 9114 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)I 512a_100000210904_100000106179 [0,2,0,0,0,0|1,0,1]=4 9115 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)O 2708a_100000743036_100000210904 [0,2,0,0,0,0|1,0,1]=4 9116 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)O 273464a_100000210904_100000743036 [0,2,0,0,0,0|1,0,1]=4 9117 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)O 273464a_100000743036_100000210904 [0,2,0,0,0,0|1,0,1]=4 9118 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)O 512a_100000210904_100000743036 [0,2,0,0,0,0|1,0,1]=4 9119 B16R1.11227 CC(O)CNC(=O)NCc1cccc(c1)O 512a_100000743036_100000210904 [0,2,0,0,0,0|1,0,1]=4 9120 B16R1.11227 CC(O)CNC(=O)NNc1cccc(c1)Br 273464a_100000210904_100000217339 [0,2,0,0,0,0|2,0,0]=4 9121 B16R1.11227 CC(O)CNC(=O)NNc1cccc(c1)Br 512a_100000210904_100000217339 [0,2,0,0,0,0|2,0,0]=4 9122 B16R1.11227 CC(O)CNC(=O)NNc1cccc(c1)Br 512a_100000217339_100000210904 [0,2,0,0,0,0|2,0,0]=4 9123 B16R1.11227 CC(O)CNC(=O)NNc1cccc(c1)Cl 273464a_100000210904_100000184277 [0,2,0,0,0,0|2,0,0]=4 9124 B16R1.11227 CC(O)CNC(=O)NNc1cccc(c1)Cl 512a_100000210904_100000184277 [0,2,0,0,0,0|2,0,0]=4 9125 B16R1.11227 CC(O)CNC(=O)NNc1cccc(c1)F 273464a_100000210904_100000745080 [0,2,0,0,0,0|2,0,0]=4 9126 B16R1.11227 CC(O)CNC(=O)NNc1cccc(c1)F 512a_100000210904_100000745080 [0,2,0,0,0,0|2,0,0]=4 9127 B16R1.11227 CC(O)CNC(=O)NNc1cccc(c1)F 512a_100000745080_100000210904 [0,2,0,0,0,0|2,0,0]=4 9128 B16R1.11227 CC(O)CNC(=O)NNc1cccc(c1)I 273464a_100000210904_100020605690 [0,2,0,0,0,0|2,0,0]=4 9129 B16R1.11227 CC(O)CNC(=O)NNc1cccc(c1)I 512a_100000210904_100020605690 [0,2,0,0,0,0|2,0,0]=4 9130 B16R1.11227 CC(O)CNC(=O)NNc1cccc(c1)I 512a_100020605690_100000210904 [0,2,0,0,0,0|2,0,0]=4 9131 B16R1.11227 Cc1cccc(c1)C#CC(=O)NCC(C)O 240690a_100000210904_100011892726 [0,2,0,0,0,0|0,0,2]=4 9132 B16R1.11227 Cc1cccc(c1)C=CC(=O)CCC(C)C 1458a_100000690095_100000210312 [0,2,0,0,0,0|2,0,0]=4 9133 B16R1.11227 Cc1cccc(c1)C=CC(=O)CCC(C)O 1458a_100000690095_100012276601 [0,2,0,0,0,0|1,0,0]=3 9134 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(=O)N 11a_100000711301_100000690095 [0,2,0,0,0,0|0,0,2]=4 9135 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(=O)N 240690a_100000711301_100000690095 [0,2,0,0,0,0|0,0,2]=4 9136 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)C 11a_100000210953_100000690095 [0,2,0,0,0,0|1,0,0]=3 9137 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)C 1626a_100000210953_100000690095 [0,2,0,0,0,0|1,0,0]=3 9138 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)C 240690a_100000210953_100000690095 [0,2,0,0,0,0|1,0,0]=3 9139 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)O 11a_100000210904_100000690095 [0,2,0,0,0,0|0,0,0]=2 9140 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(C)O 240690a_100000210904_100000690095 [0,2,0,0,0,0|0,0,0]=2 9141 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(F)F 11a_100000765723_100000690095 [0,2,0,0,0,0|1,0,0]=3 9142 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(F)F 1626a_100000765723_100000690095 [0,2,0,0,0,0|1,0,0]=3 9143 B16R1.11227 Cc1cccc(c1)C=CC(=O)NCC(F)F 240690a_100000765723_100000690095 [0,2,0,0,0,0|1,0,0]=3 9144 B16R1.11227 Cc1cccc(c1)C=CC(=O)NNC(C)C 22a_100000741168_100000690095 [0,2,0,0,0,0|2,0,0]=4 9145 B16R1.11227 Cc1cccc(c1)CCC(=O)NCC(C)O 11a_100000210904_100000234952 [0,2,0,0,0,0|0,0,2]=4 9146 B16R1.11227 Cc1cccc(c1)CCC(=O)NCC(C)O 240690a_100000210904_100000234952 [0,2,0,0,0,0|0,0,2]=4 9147 B16R1.11227 Cc1cccc(c1)CCC(=O)NCC(C)O 527a_100000210904_100000234952 [0,2,0,0,0,0|0,0,2]=4 9148 B16R1.11227 Cc1cccc(c1)CNC(=O)NCC(C)O 2708a_100000185548_100000210904 [0,2,0,0,0,0|1,0,1]=4 9149 B16R1.11227 Cc1cccc(c1)CNC(=O)NCC(C)O 273464a_100000185548_100000210904 [0,2,0,0,0,0|1,0,1]=4 9150 B16R1.11227 Cc1cccc(c1)CNC(=O)NCC(C)O 273464a_100000210904_100000185548 [0,2,0,0,0,0|1,0,1]=4 9151 B16R1.11227 Cc1cccc(c1)CNC(=O)NCC(C)O 512a_100000185548_100000210904 [0,2,0,0,0,0|1,0,1]=4 9152 B16R1.11227 Cc1cccc(c1)CNC(=O)NCC(C)O 512a_100000210904_100000185548 [0,2,0,0,0,0|1,0,1]=4 9153 B16R1.11227 Cc1cccc(c1)NNC(=O)NCC(C)O 273464a_100000210904_100000681630 [0,2,0,0,0,0|2,0,0]=4 9154 B16R1.11227 Cc1cccc(c1)NNC(=O)NCC(C)O 512a_100000210904_100000681630 [0,2,0,0,0,0|2,0,0]=4 9155 B16R1.11227 Cc1cccc(c1)NNC(=O)NCC(C)O 512a_100000681630_100000210904 [0,2,0,0,0,0|2,0,0]=4 9156 B16R1.11227 Cc1cccc(c1)OCC(=O)NCC(C)O 11a_100000210904_100000183606 [0,2,0,0,0,0|1,0,1]=4 9157 B16R1.11227 Cc1cccc(c1)OCC(=O)NCC(C)O 240690a_100000210904_100000183606 [0,2,0,0,0,0|1,0,1]=4 9158 B16R1.11227 Cc1cccc(c1)OCC(=O)NCC(C)O 527a_100000210904_100000183606 [0,2,0,0,0,0|1,0,1]=4 9159 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)Br 11a_100000711301_100016258244 [0,2,0,0,0,0|0,0,2]=4 9160 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)Br 240690a_100000711301_100016258244 [0,2,0,0,0,0|0,0,2]=4 9161 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)Cl 11a_100000711301_100000184502 [0,2,0,0,0,0|0,0,2]=4 9162 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)Cl 240690a_100000711301_100000184502 [0,2,0,0,0,0|0,0,2]=4 9163 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)F 11a_100000711301_100000718793 [0,2,0,0,0,0|0,0,2]=4 9164 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)F 240690a_100000711301_100000718793 [0,2,0,0,0,0|0,0,2]=4 9165 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)I 11a_100000711301_100020647043 [0,2,0,0,0,0|0,0,2]=4 9166 B16R1.11227 NC(=O)CNC(=O)C=Cc1cccc(c1)I 240690a_100000711301_100020647043 [0,2,0,0,0,0|0,0,2]=4 9167 B16R1.11227 O=C(C=Cc1cccc(c1)Br)NCC(F)F 11a_100000765723_100016258244 [0,2,0,0,0,0|1,0,0]=3 9168 B16R1.11227 O=C(C=Cc1cccc(c1)Br)NCC(F)F 1626a_100000765723_100016258244 [0,2,0,0,0,0|1,0,0]=3 9169 B16R1.11227 O=C(C=Cc1cccc(c1)Br)NCC(F)F 240690a_100000765723_100016258244 [0,2,0,0,0,0|1,0,0]=3 9170 B16R1.11227 O=C(C=Cc1cccc(c1)Cl)NCC(F)F 11a_100000765723_100000184502 [0,2,0,0,0,0|1,0,0]=3 9171 B16R1.11227 O=C(C=Cc1cccc(c1)Cl)NCC(F)F 1626a_100000765723_100000184502 [0,2,0,0,0,0|1,0,0]=3 9172 B16R1.11227 O=C(C=Cc1cccc(c1)Cl)NCC(F)F 240690a_100000765723_100000184502 [0,2,0,0,0,0|1,0,0]=3 9173 B16R1.11227 O=C(C=Cc1cccc(c1)F)NCC(F)F 11a_100000765723_100000718793 [0,2,0,0,0,0|1,0,0]=3 9174 B16R1.11227 O=C(C=Cc1cccc(c1)F)NCC(F)F 1626a_100000765723_100000718793 [0,2,0,0,0,0|1,0,0]=3 9175 B16R1.11227 O=C(C=Cc1cccc(c1)F)NCC(F)F 240690a_100000765723_100000718793 [0,2,0,0,0,0|1,0,0]=3 9176 B16R1.11227 O=C(C=Cc1cccc(c1)I)NCC(F)F 11a_100000765723_100020647043 [0,2,0,0,0,0|1,0,0]=3 9177 B16R1.11227 O=C(C=Cc1cccc(c1)I)NCC(F)F 1626a_100000765723_100020647043 [0,2,0,0,0,0|1,0,0]=3 9178 B16R1.11227 O=C(C=Cc1cccc(c1)I)NCC(F)F 240690a_100000765723_100020647043 [0,2,0,0,0,0|1,0,0]=3 9179 B16R1.11227 O=C(O)CCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100000210954 [0,2,0,0,0,0|1,0,1]=4 9180 B16R1.11227 O=C(O)CCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100000210954 [0,2,0,0,0,0|1,0,1]=4 9181 B16R1.11227 O=C(O)CCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100000210954 [0,2,0,0,0,0|1,0,1]=4 9182 B16R1.20755 C#CCNC(=O)C=Cc1cccc(c1)C#N 11a_100000212058_100000738773 [0,2,0,0,0,0|1,0,1]=4 9183 B16R1.20755 C#CCNC(=O)C=Cc1cccc(c1)C#N 1626a_100000212058_100000738773 [0,2,0,0,0,0|1,0,1]=4 9184 B16R1.20755 C#CCNC(=O)C=Cc1cccc(c1)C#N 240690a_100000212058_100000738773 [0,2,0,0,0,0|1,0,1]=4 9185 B16R1.20755 C=CCNC(=O)C=Cc1cccc(c1)C#N 1626a_100020586998_100000738773 [0,2,0,0,0,0|1,0,1]=4 9186 B16R1.20755 C=CCNC(=O)C=Cc1cccc(c1)C#N 240690a_100020586998_100000738773 [0,2,0,0,0,0|1,0,1]=4 9187 B16R1.20755 CCCCC(=O)C=Cc1cccc(c1)C#N 1458a_100000738773_100000210211 [0,2,0,0,0,0|2,0,0]=4 9188 B16R1.20755 CCCNC(=O)C=Cc1cccc(c1)C#N 11a_100020643023_100000738773 [0,2,0,0,0,0|1,0,0]=3 9189 B16R1.20755 CCCNC(=O)C=Cc1cccc(c1)C#N 1626a_100020643023_100000738773 [0,2,0,0,0,0|1,0,0]=3 9190 B16R1.20755 CCCNC(=O)C=Cc1cccc(c1)C#N 240690a_100020643023_100000738773 [0,2,0,0,0,0|1,0,0]=3 9191 B16R1.20755 CCNNC(=O)C=Cc1cccc(c1)C#N 22a_100000756455_100000738773 [0,2,0,0,0,0|2,0,0]=4 9192 B16R1.20755 CCNNC(=O)C=Cc1cccc(c1)OC 22a_100000756455_100000211917 [0,2,0,0,0,0|2,0,0]=4 9193 B16R1.20755 COc1cccc(c1)CCC(=O)NCCO 240690a_100000210304_100000234931 [0,2,0,0,0,0|0,0,2]=4 9194 B16R1.20755 COc1cccc(c1)CCC(=O)NCCO 527a_100000210304_100000234931 [0,2,0,0,0,0|0,0,2]=4 9195 B16R1.20755 COc1cccc(c1)CNC(=O)NCCO 2708a_100000174954_100000210304 [0,2,0,0,0,0|1,0,1]=4 9196 B16R1.20755 COc1cccc(c1)CNC(=O)NCCO 273464a_100000174954_100000210304 [0,2,0,0,0,0|1,0,1]=4 9197 B16R1.20755 COc1cccc(c1)CNC(=O)NCCO 273464a_100000210304_100000174954 [0,2,0,0,0,0|1,0,1]=4 9198 B16R1.20755 COc1cccc(c1)CNC(=O)NCCO 512a_100000174954_100000210304 [0,2,0,0,0,0|1,0,1]=4 9199 B16R1.20755 COc1cccc(c1)NNC(=O)NCCO 273464a_100000210304_100000722927 [0,2,0,0,0,0|2,0,0]=4 9200 B16R1.20755 COc1cccc(c1)NNC(=O)NCCO 512a_100000722927_100000210304 [0,2,0,0,0,0|2,0,0]=4 9201 B16R1.20755 COc1cccc(c1)OCC(=O)NCCO 240690a_100000210304_100000182123 [0,2,0,0,0,0|1,0,1]=4 9202 B16R1.20755 COc1cccc(c1)OCC(=O)NCCO 527a_100000210304_100000182123 [0,2,0,0,0,0|1,0,1]=4 9203 B16R1.20755 COc1cccc(c1)SCC(=O)NCCO 240690a_100000210304_100000741315 [0,2,0,0,0,0|1,0,1]=4 9204 B16R1.20755 COc1cccc(c1)SCC(=O)NCCO 527a_100000210304_100000741315 [0,2,0,0,0,0|1,0,1]=4 9205 B16R1.20755 N#CCNC(=O)C=Cc1cccc(c1)C#N 1626a_100000734998_100000738773 [0,2,0,0,0,0|1,0,1]=4 9206 B16R1.20755 N#Cc1cccc(c1)C=CC(=O)CCCF 1458a_100000738773_100011934791 [0,2,0,0,0,0|2,0,0]=4 9207 B16R1.20755 N#Cc1cccc(c1)C=CC(=O)CCCO 1458a_100000738773_100011215043 [0,2,0,0,0,0|1,0,0]=3 9208 B16R1.20755 N#Cc1cccc(c1)C=CC(=O)NCCF 11a_100000724931_100000738773 [0,2,0,0,0,0|1,0,0]=3 9209 B16R1.20755 N#Cc1cccc(c1)C=CC(=O)NCCF 1626a_100000724931_100000738773 [0,2,0,0,0,0|1,0,0]=3 9210 B16R1.20755 N#Cc1cccc(c1)C=CC(=O)NCCF 240690a_100000724931_100000738773 [0,2,0,0,0,0|1,0,0]=3 9211 B16R1.20755 N#Cc1cccc(c1)C=CC(=O)NCCO 240690a_100000210304_100000738773 [0,2,0,0,0,0|0,0,0]=2 9212 B16R1.20755 N#Cc1cccc(c1)CCC(=O)NCCO 240690a_100000210304_100011998624 [0,2,0,0,0,0|0,0,2]=4 9213 B16R1.20755 N#Cc1cccc(c1)CCC(=O)NCCO 527a_100000210304_100011998624 [0,2,0,0,0,0|0,0,2]=4 9214 B16R1.20755 N#Cc1cccc(c1)CNC(=O)NCCO 2708a_100000755147_100000210304 [0,2,0,0,0,0|1,0,1]=4 9215 B16R1.20755 N#Cc1cccc(c1)CNC(=O)NCCO 273464a_100000210304_100000755147 [0,2,0,0,0,0|1,0,1]=4 9216 B16R1.20755 N#Cc1cccc(c1)CNC(=O)NCCO 273464a_100000755147_100000210304 [0,2,0,0,0,0|1,0,1]=4 9217 B16R1.20755 N#Cc1cccc(c1)CNC(=O)NCCO 512a_100000755147_100000210304 [0,2,0,0,0,0|1,0,1]=4 9218 B16R1.20755 N#Cc1cccc(c1)NNC(=O)NCCO 273464a_100000210304_100016987777 [0,2,0,0,0,0|2,0,0]=4 9219 B16R1.20755 N#Cc1cccc(c1)NNC(=O)NCCO 512a_100016987777_100000210304 [0,2,0,0,0,0|2,0,0]=4 9220 B16R1.20755 N#Cc1cccc(c1)OCC(=O)NCCO 240690a_100000210304_100000230692 [0,2,0,0,0,0|1,0,1]=4 9221 B16R1.20755 N#Cc1cccc(c1)OCC(=O)NCCO 527a_100000210304_100000230692 [0,2,0,0,0,0|1,0,1]=4 9222 B16R1.20755 O=C(NCCO)NCc1cccc(c1)CO 2708a_100011269909_100000210304 [0,2,0,0,0,0|1,0,1]=4 9223 B16R1.20755 O=C(NCCO)NCc1cccc(c1)CO 273464a_100000210304_100011269909 [0,2,0,0,0,0|1,0,1]=4 9224 B16R1.20755 O=C(NCCO)NCc1cccc(c1)CO 273464a_100011269909_100000210304 [0,2,0,0,0,0|1,0,1]=4 9225 B16R1.20755 O=C(NCCO)NCc1cccc(c1)CO 512a_100011269909_100000210304 [0,2,0,0,0,0|1,0,1]=4 9226 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)Br)Cl 11a_100000212058_100102889548 [0,2,0,0,0,0|1,0,1]=4 9227 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)Br)Cl 1626a_100000212058_100102889548 [0,2,0,0,0,0|1,0,1]=4 9228 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_100000212058_100102889548 [0,2,0,0,0,0|1,0,1]=4 9229 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)Br)F 11a_100000212058_100011195070 [0,2,0,0,0,0|1,0,1]=4 9230 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)Br)F 1626a_100000212058_100011195070 [0,2,0,0,0,0|1,0,1]=4 9231 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_100000212058_100011195070 [0,2,0,0,0,0|1,0,1]=4 9232 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100000212058_200103079279 [0,2,0,0,0,0|1,0,1]=4 9233 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)C)C 11a_100000212058_100011338269 [0,2,0,0,0,0|1,0,1]=4 9234 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)C)C 1626a_100000212058_100011338269 [0,2,0,0,0,0|1,0,1]=4 9235 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)C)C 240690a_100000212058_100011338269 [0,2,0,0,0,0|1,0,1]=4 9236 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)C)F 11a_100000212058_100016261966 [0,2,0,0,0,0|1,0,1]=4 9237 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)C)F 1626a_100000212058_100016261966 [0,2,0,0,0,0|1,0,1]=4 9238 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)C)F 240690a_100000212058_100016261966 [0,2,0,0,0,0|1,0,1]=4 9239 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 11a_100000212058_100000716972 [0,2,0,0,0,0|1,0,1]=4 9240 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 1626a_100000212058_100000716972 [0,2,0,0,0,0|1,0,1]=4 9241 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_100000212058_100000716972 [0,2,0,0,0,0|1,0,1]=4 9242 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)Cl)F 11a_100000212058_100102525453 [0,2,0,0,0,0|1,0,1]=4 9243 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)Cl)F 1626a_100000212058_100102525453 [0,2,0,0,0,0|1,0,1]=4 9244 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_100000212058_100102525453 [0,2,0,0,0,0|1,0,1]=4 9245 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100000212058_200103117615 [0,2,0,0,0,0|1,0,1]=4 9246 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)F)Br 11a_100000212058_100102601611 [0,2,0,0,0,0|1,0,1]=4 9247 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)F)Br 1626a_100000212058_100102601611 [0,2,0,0,0,0|1,0,1]=4 9248 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_100000212058_100102601611 [0,2,0,0,0,0|1,0,1]=4 9249 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)F)C 11a_100000212058_100102526211 [0,2,0,0,0,0|1,0,1]=4 9250 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)F)C 1626a_100000212058_100102526211 [0,2,0,0,0,0|1,0,1]=4 9251 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)F)C 240690a_100000212058_100102526211 [0,2,0,0,0,0|1,0,1]=4 9252 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)F)Cl 11a_100000212058_100020610926 [0,2,0,0,0,0|1,0,1]=4 9253 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)F)Cl 1626a_100000212058_100020610926 [0,2,0,0,0,0|1,0,1]=4 9254 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_100000212058_100020610926 [0,2,0,0,0,0|1,0,1]=4 9255 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)F)F 11a_100000212058_100011195075 [0,2,0,0,0,0|1,0,1]=4 9256 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)F)F 1626a_100000212058_100011195075 [0,2,0,0,0,0|1,0,1]=4 9257 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)F)F 240690a_100000212058_100011195075 [0,2,0,0,0,0|1,0,1]=4 9258 B16R1.20760 C#CCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100000212058_100011195073 [0,2,0,0,0,0|1,0,1]=4 9259 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Br)Cl 1626a_100020586998_100102889548 [0,2,0,0,0,0|1,0,1]=4 9260 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_100020586998_100102889548 [0,2,0,0,0,0|1,0,1]=4 9261 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Br)F 1626a_100020586998_100011195070 [0,2,0,0,0,0|1,0,1]=4 9262 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_100020586998_100011195070 [0,2,0,0,0,0|1,0,1]=4 9263 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100020586998_200103079279 [0,2,0,0,0,0|1,0,1]=4 9264 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)C)C 1626a_100020586998_100011338269 [0,2,0,0,0,0|1,0,1]=4 9265 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)C)C 240690a_100020586998_100011338269 [0,2,0,0,0,0|1,0,1]=4 9266 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)C)F 1626a_100020586998_100016261966 [0,2,0,0,0,0|1,0,1]=4 9267 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)C)F 240690a_100020586998_100016261966 [0,2,0,0,0,0|1,0,1]=4 9268 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 1626a_100020586998_100000716972 [0,2,0,0,0,0|1,0,1]=4 9269 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_100020586998_100000716972 [0,2,0,0,0,0|1,0,1]=4 9270 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Cl)F 1626a_100020586998_100102525453 [0,2,0,0,0,0|1,0,1]=4 9271 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_100020586998_100102525453 [0,2,0,0,0,0|1,0,1]=4 9272 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100020586998_200103117615 [0,2,0,0,0,0|1,0,1]=4 9273 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)Br 1626a_100020586998_100102601611 [0,2,0,0,0,0|1,0,1]=4 9274 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_100020586998_100102601611 [0,2,0,0,0,0|1,0,1]=4 9275 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)C 1626a_100020586998_100102526211 [0,2,0,0,0,0|1,0,1]=4 9276 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)C 240690a_100020586998_100102526211 [0,2,0,0,0,0|1,0,1]=4 9277 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)Cl 1626a_100020586998_100020610926 [0,2,0,0,0,0|1,0,1]=4 9278 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_100020586998_100020610926 [0,2,0,0,0,0|1,0,1]=4 9279 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)F 1626a_100020586998_100011195075 [0,2,0,0,0,0|1,0,1]=4 9280 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)F)F 240690a_100020586998_100011195075 [0,2,0,0,0,0|1,0,1]=4 9281 B16R1.20760 C=CCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100020586998_100011195073 [0,2,0,0,0,0|1,0,1]=4 9282 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)Br)Cl 1458a_100102889548_100000210211 [0,2,0,0,0,0|2,0,0]=4 9283 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)Br)Cl 6a_100000693810_100000032102 [0,2,0,0,0,0|2,0,0]=4 9284 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)Br)F 1458a_100011195070_100000210211 [0,2,0,0,0,0|2,0,0]=4 9285 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)Br)F 6a_100000211747_100000032102 [0,2,0,0,0,0|2,0,0]=4 9286 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_100000210211 [0,2,0,0,0,0|2,0,0]=4 9287 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)C)C 1458a_100011338269_100000210211 [0,2,0,0,0,0|2,0,0]=4 9288 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)C)C 6a_100000229942_100000032102 [0,2,0,0,0,0|2,0,0]=4 9289 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)C)Cl 6a_100000698814_100000032102 [0,2,0,0,0,0|2,0,0]=4 9290 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)C)F 1458a_100016261966_100000210211 [0,2,0,0,0,0|2,0,0]=4 9291 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)C)F 6a_100000748208_100000032102 [0,2,0,0,0,0|2,0,0]=4 9292 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)Cl)C 6a_100000760539_100000032102 [0,2,0,0,0,0|2,0,0]=4 9293 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 1458a_100000716972_100000210211 [0,2,0,0,0,0|2,0,0]=4 9294 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)Cl)Cl 6a_100000188533_100000032102 [0,2,0,0,0,0|2,0,0]=4 9295 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)Cl)F 1458a_100102525453_100000210211 [0,2,0,0,0,0|2,0,0]=4 9296 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)Cl)F 6a_100000742290_100000032102 [0,2,0,0,0,0|2,0,0]=4 9297 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_100000210211 [0,2,0,0,0,0|2,0,0]=4 9298 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)Cl)O 6a_100000186751_100000032102 [0,2,0,0,0,0|2,0,0]=4 9299 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)F)Br 1458a_100102601611_100000210211 [0,2,0,0,0,0|2,0,0]=4 9300 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)F)Br 6a_100000686674_100000032102 [0,2,0,0,0,0|2,0,0]=4 9301 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)F)C 1458a_100102526211_100000210211 [0,2,0,0,0,0|2,0,0]=4 9302 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)F)C 6a_100000753222_100000032102 [0,2,0,0,0,0|2,0,0]=4 9303 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)F)Cl 1458a_100020610926_100000210211 [0,2,0,0,0,0|2,0,0]=4 9304 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)F)Cl 6a_100000745630_100000032102 [0,2,0,0,0,0|2,0,0]=4 9305 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)F)F 1458a_100011195075_100000210211 [0,2,0,0,0,0|2,0,0]=4 9306 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)F)F 6a_100000211062_100000032102 [0,2,0,0,0,0|2,0,0]=4 9307 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)F)I 6a_100000050832_100000032102 [0,2,0,0,0,0|2,0,0]=4 9308 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)F)O 6a_100000742332_100000032102 [0,2,0,0,0,0|2,0,0]=4 9309 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)I)Br 6a_100010146563_100000032102 [0,2,0,0,0,0|2,0,0]=4 9310 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)I)C 6a_100010197721_100000032102 [0,2,0,0,0,0|2,0,0]=4 9311 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)I)Cl 6a_100010209939_100000032102 [0,2,0,0,0,0|2,0,0]=4 9312 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)I)F 6a_100010188209_100000032102 [0,2,0,0,0,0|2,0,0]=4 9313 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)I)O 6a_100000186752_100000032102 [0,2,0,0,0,0|2,0,0]=4 9314 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)O)Cl 6a_100009876013_100000032102 [0,2,0,0,0,0|2,0,0]=4 9315 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)O)F 6a_100000102368_100000032102 [0,2,0,0,0,0|2,0,0]=4 9316 B16R1.20760 CCCCC(=O)C=Cc1ccc(c(c1)O)I 6a_100000041418_100000032102 [0,2,0,0,0,0|2,0,0]=4 9317 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Br)Cl 11a_100020643023_100102889548 [0,2,0,0,0,0|1,0,0]=3 9318 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Br)Cl 1626a_100020643023_100102889548 [0,2,0,0,0,0|1,0,0]=3 9319 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Br)Cl 240690a_100020643023_100102889548 [0,2,0,0,0,0|1,0,0]=3 9320 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Br)F 11a_100020643023_100011195070 [0,2,0,0,0,0|1,0,0]=3 9321 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Br)F 1626a_100020643023_100011195070 [0,2,0,0,0,0|1,0,0]=3 9322 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Br)F 240690a_100020643023_100011195070 [0,2,0,0,0,0|1,0,0]=3 9323 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Br)O 240690a_100020643023_200103079279 [0,2,0,0,0,0|1,0,0]=3 9324 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)C)C 11a_100020643023_100011338269 [0,2,0,0,0,0|1,0,0]=3 9325 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)C)C 1626a_100020643023_100011338269 [0,2,0,0,0,0|1,0,0]=3 9326 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)C)C 240690a_100020643023_100011338269 [0,2,0,0,0,0|1,0,0]=3 9327 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)C)F 11a_100020643023_100016261966 [0,2,0,0,0,0|1,0,0]=3 9328 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)C)F 1626a_100020643023_100016261966 [0,2,0,0,0,0|1,0,0]=3 9329 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)C)F 240690a_100020643023_100016261966 [0,2,0,0,0,0|1,0,0]=3 9330 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 11a_100020643023_100000716972 [0,2,0,0,0,0|1,0,0]=3 9331 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 1626a_100020643023_100000716972 [0,2,0,0,0,0|1,0,0]=3 9332 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 240690a_100020643023_100000716972 [0,2,0,0,0,0|1,0,0]=3 9333 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Cl)F 11a_100020643023_100102525453 [0,2,0,0,0,0|1,0,0]=3 9334 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Cl)F 1626a_100020643023_100102525453 [0,2,0,0,0,0|1,0,0]=3 9335 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Cl)F 240690a_100020643023_100102525453 [0,2,0,0,0,0|1,0,0]=3 9336 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)Cl)O 240690a_100020643023_200103117615 [0,2,0,0,0,0|1,0,0]=3 9337 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)F)Br 11a_100020643023_100102601611 [0,2,0,0,0,0|1,0,0]=3 9338 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)F)Br 1626a_100020643023_100102601611 [0,2,0,0,0,0|1,0,0]=3 9339 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)F)Br 240690a_100020643023_100102601611 [0,2,0,0,0,0|1,0,0]=3 9340 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)F)C 11a_100020643023_100102526211 [0,2,0,0,0,0|1,0,0]=3 9341 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)F)C 1626a_100020643023_100102526211 [0,2,0,0,0,0|1,0,0]=3 9342 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)F)C 240690a_100020643023_100102526211 [0,2,0,0,0,0|1,0,0]=3 9343 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)F)Cl 11a_100020643023_100020610926 [0,2,0,0,0,0|1,0,0]=3 9344 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)F)Cl 1626a_100020643023_100020610926 [0,2,0,0,0,0|1,0,0]=3 9345 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)F)Cl 240690a_100020643023_100020610926 [0,2,0,0,0,0|1,0,0]=3 9346 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)F)F 11a_100020643023_100011195075 [0,2,0,0,0,0|1,0,0]=3 9347 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)F)F 1626a_100020643023_100011195075 [0,2,0,0,0,0|1,0,0]=3 9348 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)F)F 240690a_100020643023_100011195075 [0,2,0,0,0,0|1,0,0]=3 9349 B16R1.20760 CCCNC(=O)C=Cc1ccc(c(c1)O)O 240690a_100020643023_100011195073 [0,2,0,0,0,0|1,0,0]=3 9350 B16R1.20760 CCNNC(=O)C=Cc1ccc(c(c1)Br)Cl 22a_100000756455_100102889548 [0,2,0,0,0,0|2,0,0]=4 9351 B16R1.20760 CCNNC(=O)C=Cc1ccc(c(c1)Br)F 22a_100000756455_100011195070 [0,2,0,0,0,0|2,0,0]=4 9352 B16R1.20760 CCNNC(=O)C=Cc1ccc(c(c1)Br)O 22a_100000756455_200103079279 [0,2,0,0,0,0|2,0,0]=4 9353 B16R1.20760 CCNNC(=O)C=Cc1ccc(c(c1)C)C 22a_100000756455_100011338269 [0,2,0,0,0,0|2,0,0]=4 9354 B16R1.20760 CCNNC(=O)C=Cc1ccc(c(c1)C)F 22a_100000756455_100016261966 [0,2,0,0,0,0|2,0,0]=4 9355 B16R1.20760 CCNNC(=O)C=Cc1ccc(c(c1)Cl)Cl 22a_100000756455_100000716972 [0,2,0,0,0,0|2,0,0]=4 9356 B16R1.20760 CCNNC(=O)C=Cc1ccc(c(c1)Cl)F 22a_100000756455_100102525453 [0,2,0,0,0,0|2,0,0]=4 9357 B16R1.20760 CCNNC(=O)C=Cc1ccc(c(c1)Cl)O 22a_100000756455_200103117615 [0,2,0,0,0,0|2,0,0]=4 9358 B16R1.20760 CCNNC(=O)C=Cc1ccc(c(c1)F)Br 22a_100000756455_100102601611 [0,2,0,0,0,0|2,0,0]=4 9359 B16R1.20760 CCNNC(=O)C=Cc1ccc(c(c1)F)C 22a_100000756455_100102526211 [0,2,0,0,0,0|2,0,0]=4 9360 B16R1.20760 CCNNC(=O)C=Cc1ccc(c(c1)F)Cl 22a_100000756455_100020610926 [0,2,0,0,0,0|2,0,0]=4 9361 B16R1.20760 CCNNC(=O)C=Cc1ccc(c(c1)F)F 22a_100000756455_100011195075 [0,2,0,0,0,0|2,0,0]=4 9362 B16R1.20760 CCNNC(=O)C=Cc1ccc(c(c1)O)O 22a_100000756455_100011195073 [0,2,0,0,0,0|2,0,0]=4 9363 B16R1.20760 Cc1cc(ccc1Br)CNC(=O)NCCO 2708a_100015205234_100000210304 [0,2,0,0,0,0|1,0,1]=4 9364 B16R1.20760 Cc1cc(ccc1Br)CNC(=O)NCCO 273464a_100000210304_100015205234 [0,2,0,0,0,0|1,0,1]=4 9365 B16R1.20760 Cc1cc(ccc1Br)CNC(=O)NCCO 273464a_100015205234_100000210304 [0,2,0,0,0,0|1,0,1]=4 9366 B16R1.20760 Cc1cc(ccc1Br)CNC(=O)NCCO 512a_100015205234_100000210304 [0,2,0,0,0,0|1,0,1]=4 9367 B16R1.20760 Cc1cc(ccc1Br)NNC(=O)NCCO 273464a_100000210304_100000745493 [0,2,0,0,0,0|2,0,0]=4 9368 B16R1.20760 Cc1cc(ccc1Cl)C=CC(=O)CCCBr 6a_100000698814_100000685027 [0,2,0,0,0,0|2,0,0]=4 9369 B16R1.20760 Cc1cc(ccc1Cl)C=CC(=O)CCCCl 6a_100000698814_100011215641 [0,2,0,0,0,0|2,0,0]=4 9370 B16R1.20760 Cc1cc(ccc1Cl)NNC(=O)NCCO 273464a_100000210304_100015233126 [0,2,0,0,0,0|2,0,0]=4 9371 B16R1.20760 Cc1cc(ccc1Cl)OCC(=O)NCCO 240690a_100000210304_100000182483 [0,2,0,0,0,0|1,0,1]=4 9372 B16R1.20760 Cc1cc(ccc1Cl)OCC(=O)NCCO 527a_100000210304_100000182483 [0,2,0,0,0,0|1,0,1]=4 9373 B16R1.20760 Cc1cc(ccc1F)C=CC(=O)CCCBr 6a_100000748208_100000685027 [0,2,0,0,0,0|2,0,0]=4 9374 B16R1.20760 Cc1cc(ccc1F)C=CC(=O)CCCCl 6a_100000748208_100011215641 [0,2,0,0,0,0|2,0,0]=4 9375 B16R1.20760 Cc1cc(ccc1F)C=CC(=O)CCCF 1458a_100016261966_100011934791 [0,2,0,0,0,0|2,0,0]=4 9376 B16R1.20760 Cc1cc(ccc1F)C=CC(=O)CCCO 1458a_100016261966_100011215043 [0,2,0,0,0,0|1,0,0]=3 9377 B16R1.20760 Cc1cc(ccc1F)C=CC(=O)NCC#N 1626a_100000734998_100016261966 [0,2,0,0,0,0|1,0,1]=4 9378 B16R1.20760 Cc1cc(ccc1F)C=CC(=O)NCCF 11a_100000724931_100016261966 [0,2,0,0,0,0|1,0,0]=3 9379 B16R1.20760 Cc1cc(ccc1F)C=CC(=O)NCCF 1626a_100000724931_100016261966 [0,2,0,0,0,0|1,0,0]=3 9380 B16R1.20760 Cc1cc(ccc1F)C=CC(=O)NCCF 240690a_100000724931_100016261966 [0,2,0,0,0,0|1,0,0]=3 9381 B16R1.20760 Cc1cc(ccc1F)C=CC(=O)NCCO 240690a_100000210304_100016261966 [0,2,0,0,0,0|0,0,0]=2 9382 B16R1.20760 Cc1cc(ccc1F)CCC(=O)NCCO 240690a_100000210304_100011615030 [0,2,0,0,0,0|0,0,2]=4 9383 B16R1.20760 Cc1cc(ccc1F)CCC(=O)NCCO 527a_100000210304_100011615030 [0,2,0,0,0,0|0,0,2]=4 9384 B16R1.20760 Cc1cc(ccc1F)CNC(=O)NCCO 2708a_100000239911_100000210304 [0,2,0,0,0,0|1,0,1]=4 9385 B16R1.20760 Cc1cc(ccc1F)CNC(=O)NCCO 273464a_100000210304_100000239911 [0,2,0,0,0,0|1,0,1]=4 9386 B16R1.20760 Cc1cc(ccc1F)CNC(=O)NCCO 273464a_100000239911_100000210304 [0,2,0,0,0,0|1,0,1]=4 9387 B16R1.20760 Cc1cc(ccc1F)CNC(=O)NCCO 512a_100000239911_100000210304 [0,2,0,0,0,0|1,0,1]=4 9388 B16R1.20760 Cc1ccc(cc1Br)CCC(=O)NCCO 240690a_100000210304_100010220830 [0,2,0,0,0,0|0,0,2]=4 9389 B16R1.20760 Cc1ccc(cc1Br)CCC(=O)NCCO 527a_100000210304_100010220830 [0,2,0,0,0,0|0,0,2]=4 9390 B16R1.20760 Cc1ccc(cc1Br)NNC(=O)NCCO 273464a_100000210304_100016991967 [0,2,0,0,0,0|2,0,0]=4 9391 B16R1.20760 Cc1ccc(cc1C)C=CC(=O)CCCBr 6a_100000229942_100000685027 [0,2,0,0,0,0|2,0,0]=4 9392 B16R1.20760 Cc1ccc(cc1C)C=CC(=O)CCCCl 6a_100000229942_100011215641 [0,2,0,0,0,0|2,0,0]=4 9393 B16R1.20760 Cc1ccc(cc1C)C=CC(=O)CCCF 1458a_100011338269_100011934791 [0,2,0,0,0,0|2,0,0]=4 9394 B16R1.20760 Cc1ccc(cc1C)C=CC(=O)CCCO 1458a_100011338269_100011215043 [0,2,0,0,0,0|1,0,0]=3 9395 B16R1.20760 Cc1ccc(cc1C)C=CC(=O)NCC#N 1626a_100000734998_100011338269 [0,2,0,0,0,0|1,0,1]=4 9396 B16R1.20760 Cc1ccc(cc1C)C=CC(=O)NCCF 11a_100000724931_100011338269 [0,2,0,0,0,0|1,0,0]=3 9397 B16R1.20760 Cc1ccc(cc1C)C=CC(=O)NCCF 1626a_100000724931_100011338269 [0,2,0,0,0,0|1,0,0]=3 9398 B16R1.20760 Cc1ccc(cc1C)C=CC(=O)NCCF 240690a_100000724931_100011338269 [0,2,0,0,0,0|1,0,0]=3 9399 B16R1.20760 Cc1ccc(cc1C)C=CC(=O)NCCO 240690a_100000210304_100011338269 [0,2,0,0,0,0|0,0,0]=2 9400 B16R1.20760 Cc1ccc(cc1C)CCC(=O)NCCO 240690a_100000210304_100011338283 [0,2,0,0,0,0|0,0,2]=4 9401 B16R1.20760 Cc1ccc(cc1C)CCC(=O)NCCO 527a_100000210304_100011338283 [0,2,0,0,0,0|0,0,2]=4 9402 B16R1.20760 Cc1ccc(cc1C)CNC(=O)NCCO 2708a_100025706692_100000210304 [0,2,0,0,0,0|1,0,1]=4 9403 B16R1.20760 Cc1ccc(cc1C)CNC(=O)NCCO 273464a_100000210304_100025706692 [0,2,0,0,0,0|1,0,1]=4 9404 B16R1.20760 Cc1ccc(cc1C)CNC(=O)NCCO 273464a_100025706692_100000210304 [0,2,0,0,0,0|1,0,1]=4 9405 B16R1.20760 Cc1ccc(cc1C)NNC(=O)NCCO 273464a_100000210304_100000004666 [0,2,0,0,0,0|2,0,0]=4 9406 B16R1.20760 Cc1ccc(cc1C)OCC(=O)NCCO 240690a_100000210304_100000182425 [0,2,0,0,0,0|1,0,1]=4 9407 B16R1.20760 Cc1ccc(cc1C)OCC(=O)NCCO 527a_100000210304_100000182425 [0,2,0,0,0,0|1,0,1]=4 9408 B16R1.20760 Cc1ccc(cc1Cl)C=CC(=O)CCCBr 6a_100000760539_100000685027 [0,2,0,0,0,0|2,0,0]=4 9409 B16R1.20760 Cc1ccc(cc1Cl)C=CC(=O)CCCCl 6a_100000760539_100011215641 [0,2,0,0,0,0|2,0,0]=4 9410 B16R1.20760 Cc1ccc(cc1Cl)CNC(=O)NCCO 2708a_102495364989_100000210304 [0,2,0,0,0,0|1,0,1]=4 9411 B16R1.20760 Cc1ccc(cc1Cl)CNC(=O)NCCO 273464a_100000210304_102495364989 [0,2,0,0,0,0|1,0,1]=4 9412 B16R1.20760 Cc1ccc(cc1Cl)CNC(=O)NCCO 273464a_102495364989_100000210304 [0,2,0,0,0,0|1,0,1]=4 9413 B16R1.20760 Cc1ccc(cc1Cl)NNC(=O)NCCO 273464a_100000210304_100000681537 [0,2,0,0,0,0|2,0,0]=4 9414 B16R1.20760 Cc1ccc(cc1F)C=CC(=O)CCCBr 6a_100000753222_100000685027 [0,2,0,0,0,0|2,0,0]=4 9415 B16R1.20760 Cc1ccc(cc1F)C=CC(=O)CCCCl 6a_100000753222_100011215641 [0,2,0,0,0,0|2,0,0]=4 9416 B16R1.20760 Cc1ccc(cc1F)C=CC(=O)CCCF 1458a_100102526211_100011934791 [0,2,0,0,0,0|2,0,0]=4 9417 B16R1.20760 Cc1ccc(cc1F)C=CC(=O)CCCO 1458a_100102526211_100011215043 [0,2,0,0,0,0|1,0,0]=3 9418 B16R1.20760 Cc1ccc(cc1F)C=CC(=O)NCC#N 1626a_100000734998_100102526211 [0,2,0,0,0,0|1,0,1]=4 9419 B16R1.20760 Cc1ccc(cc1F)C=CC(=O)NCCF 11a_100000724931_100102526211 [0,2,0,0,0,0|1,0,0]=3 9420 B16R1.20760 Cc1ccc(cc1F)C=CC(=O)NCCF 1626a_100000724931_100102526211 [0,2,0,0,0,0|1,0,0]=3 9421 B16R1.20760 Cc1ccc(cc1F)C=CC(=O)NCCF 240690a_100000724931_100102526211 [0,2,0,0,0,0|1,0,0]=3 9422 B16R1.20760 Cc1ccc(cc1F)C=CC(=O)NCCO 240690a_100000210304_100102526211 [0,2,0,0,0,0|0,0,0]=2 9423 B16R1.20760 Cc1ccc(cc1F)CCC(=O)NCCO 240690a_100000210304_100011830284 [0,2,0,0,0,0|0,0,2]=4 9424 B16R1.20760 Cc1ccc(cc1F)CCC(=O)NCCO 527a_100000210304_100011830284 [0,2,0,0,0,0|0,0,2]=4 9425 B16R1.20760 Cc1ccc(cc1F)CNC(=O)NCCO 2708a_100102708794_100000210304 [0,2,0,0,0,0|1,0,1]=4 9426 B16R1.20760 Cc1ccc(cc1F)CNC(=O)NCCO 273464a_100000210304_100102708794 [0,2,0,0,0,0|1,0,1]=4 9427 B16R1.20760 Cc1ccc(cc1F)CNC(=O)NCCO 273464a_100102708794_100000210304 [0,2,0,0,0,0|1,0,1]=4 9428 B16R1.20760 Cc1ccc(cc1F)NNC(=O)NCCO 273464a_100000210304_100000689702 [0,2,0,0,0,0|2,0,0]=4 9429 B16R1.20760 Cc1ccc(cc1I)C=CC(=O)CCCBr 6a_100010197721_100000685027 [0,2,0,0,0,0|2,0,0]=4 9430 B16R1.20760 Cc1ccc(cc1I)C=CC(=O)CCCCl 6a_100010197721_100011215641 [0,2,0,0,0,0|2,0,0]=4 9431 B16R1.20760 N#CCNC(=O)C=Cc1ccc(c(c1)Br)Cl 1626a_100000734998_100102889548 [0,2,0,0,0,0|1,0,1]=4 9432 B16R1.20760 N#CCNC(=O)C=Cc1ccc(c(c1)Br)F 1626a_100000734998_100011195070 [0,2,0,0,0,0|1,0,1]=4 9433 B16R1.20760 N#CCNC(=O)C=Cc1ccc(c(c1)Cl)Cl 1626a_100000734998_100000716972 [0,2,0,0,0,0|1,0,1]=4 9434 B16R1.20760 N#CCNC(=O)C=Cc1ccc(c(c1)Cl)F 1626a_100000734998_100102525453 [0,2,0,0,0,0|1,0,1]=4 9435 B16R1.20760 N#CCNC(=O)C=Cc1ccc(c(c1)F)Br 1626a_100000734998_100102601611 [0,2,0,0,0,0|1,0,1]=4 9436 B16R1.20760 N#CCNC(=O)C=Cc1ccc(c(c1)F)Cl 1626a_100000734998_100020610926 [0,2,0,0,0,0|1,0,1]=4 9437 B16R1.20760 N#CCNC(=O)C=Cc1ccc(c(c1)F)F 1626a_100000734998_100011195075 [0,2,0,0,0,0|1,0,1]=4 9438 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)Cl)CCCBr 6a_100000693810_100000685027 [0,2,0,0,0,0|2,0,0]=4 9439 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)Cl)CCCCl 6a_100000693810_100011215641 [0,2,0,0,0,0|2,0,0]=4 9440 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)Cl)CCCF 1458a_100102889548_100011934791 [0,2,0,0,0,0|2,0,0]=4 9441 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)Cl)CCCO 1458a_100102889548_100011215043 [0,2,0,0,0,0|1,0,0]=3 9442 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)Cl)NCCF 11a_100000724931_100102889548 [0,2,0,0,0,0|1,0,0]=3 9443 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)Cl)NCCF 1626a_100000724931_100102889548 [0,2,0,0,0,0|1,0,0]=3 9444 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)Cl)NCCF 240690a_100000724931_100102889548 [0,2,0,0,0,0|1,0,0]=3 9445 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)Cl)NCCO 240690a_100000210304_100102889548 [0,2,0,0,0,0|0,0,0]=2 9446 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)F)CCCBr 6a_100000211747_100000685027 [0,2,0,0,0,0|2,0,0]=4 9447 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)F)CCCCl 6a_100000211747_100011215641 [0,2,0,0,0,0|2,0,0]=4 9448 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)F)CCCF 1458a_100011195070_100011934791 [0,2,0,0,0,0|2,0,0]=4 9449 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)F)CCCO 1458a_100011195070_100011215043 [0,2,0,0,0,0|1,0,0]=3 9450 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)F)NCCF 11a_100000724931_100011195070 [0,2,0,0,0,0|1,0,0]=3 9451 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)F)NCCF 1626a_100000724931_100011195070 [0,2,0,0,0,0|1,0,0]=3 9452 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)F)NCCF 240690a_100000724931_100011195070 [0,2,0,0,0,0|1,0,0]=3 9453 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)F)NCCO 240690a_100000210304_100011195070 [0,2,0,0,0,0|0,0,0]=2 9454 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)O)CCCF 1458a_200103079279_100011934791 [0,2,0,0,0,0|2,0,0]=4 9455 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)O)CCCO 1458a_200103079279_100011215043 [0,2,0,0,0,0|1,0,0]=3 9456 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)O)NCCF 240690a_100000724931_200103079279 [0,2,0,0,0,0|1,0,0]=3 9457 B16R1.20760 O=C(C=Cc1ccc(c(c1)Br)O)NCCO 240690a_100000210304_200103079279 [0,2,0,0,0,0|0,0,0]=2 9458 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCCBr 6a_100000188533_100000685027 [0,2,0,0,0,0|2,0,0]=4 9459 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCCCl 6a_100000188533_100011215641 [0,2,0,0,0,0|2,0,0]=4 9460 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCCF 1458a_100000716972_100011934791 [0,2,0,0,0,0|2,0,0]=4 9461 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)Cl)CCCO 1458a_100000716972_100011215043 [0,2,0,0,0,0|1,0,0]=3 9462 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)Cl)NCCF 11a_100000724931_100000716972 [0,2,0,0,0,0|1,0,0]=3 9463 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)Cl)NCCF 1626a_100000724931_100000716972 [0,2,0,0,0,0|1,0,0]=3 9464 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)Cl)NCCF 240690a_100000724931_100000716972 [0,2,0,0,0,0|1,0,0]=3 9465 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)Cl)NCCO 240690a_100000210304_100000716972 [0,2,0,0,0,0|0,0,0]=2 9466 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)F)CCCBr 6a_100000742290_100000685027 [0,2,0,0,0,0|2,0,0]=4 9467 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)F)CCCCl 6a_100000742290_100011215641 [0,2,0,0,0,0|2,0,0]=4 9468 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)F)CCCF 1458a_100102525453_100011934791 [0,2,0,0,0,0|2,0,0]=4 9469 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)F)CCCO 1458a_100102525453_100011215043 [0,2,0,0,0,0|1,0,0]=3 9470 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)F)NCCF 11a_100000724931_100102525453 [0,2,0,0,0,0|1,0,0]=3 9471 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)F)NCCF 1626a_100000724931_100102525453 [0,2,0,0,0,0|1,0,0]=3 9472 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)F)NCCF 240690a_100000724931_100102525453 [0,2,0,0,0,0|1,0,0]=3 9473 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)F)NCCO 240690a_100000210304_100102525453 [0,2,0,0,0,0|0,0,0]=2 9474 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)O)CCCBr 6a_100000186751_100000685027 [0,2,0,0,0,0|2,0,0]=4 9475 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)O)CCCCl 6a_100000186751_100011215641 [0,2,0,0,0,0|2,0,0]=4 9476 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)O)CCCF 1458a_200103117615_100011934791 [0,2,0,0,0,0|2,0,0]=4 9477 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)O)CCCO 1458a_200103117615_100011215043 [0,2,0,0,0,0|1,0,0]=3 9478 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)O)NCCF 240690a_100000724931_200103117615 [0,2,0,0,0,0|1,0,0]=3 9479 B16R1.20760 O=C(C=Cc1ccc(c(c1)Cl)O)NCCO 240690a_100000210304_200103117615 [0,2,0,0,0,0|0,0,0]=2 9480 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Br)CCCBr 6a_100000686674_100000685027 [0,2,0,0,0,0|2,0,0]=4 9481 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Br)CCCCl 6a_100000686674_100011215641 [0,2,0,0,0,0|2,0,0]=4 9482 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Br)CCCF 1458a_100102601611_100011934791 [0,2,0,0,0,0|2,0,0]=4 9483 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Br)CCCO 1458a_100102601611_100011215043 [0,2,0,0,0,0|1,0,0]=3 9484 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Br)NCCF 11a_100000724931_100102601611 [0,2,0,0,0,0|1,0,0]=3 9485 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Br)NCCF 1626a_100000724931_100102601611 [0,2,0,0,0,0|1,0,0]=3 9486 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Br)NCCF 240690a_100000724931_100102601611 [0,2,0,0,0,0|1,0,0]=3 9487 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Br)NCCO 240690a_100000210304_100102601611 [0,2,0,0,0,0|0,0,0]=2 9488 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Cl)CCCBr 6a_100000745630_100000685027 [0,2,0,0,0,0|2,0,0]=4 9489 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Cl)CCCCl 6a_100000745630_100011215641 [0,2,0,0,0,0|2,0,0]=4 9490 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Cl)CCCF 1458a_100020610926_100011934791 [0,2,0,0,0,0|2,0,0]=4 9491 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Cl)CCCO 1458a_100020610926_100011215043 [0,2,0,0,0,0|1,0,0]=3 9492 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Cl)NCCF 11a_100000724931_100020610926 [0,2,0,0,0,0|1,0,0]=3 9493 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Cl)NCCF 1626a_100000724931_100020610926 [0,2,0,0,0,0|1,0,0]=3 9494 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Cl)NCCF 240690a_100000724931_100020610926 [0,2,0,0,0,0|1,0,0]=3 9495 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)Cl)NCCO 240690a_100000210304_100020610926 [0,2,0,0,0,0|0,0,0]=2 9496 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)F)CCCBr 6a_100000211062_100000685027 [0,2,0,0,0,0|2,0,0]=4 9497 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)F)CCCCl 6a_100000211062_100011215641 [0,2,0,0,0,0|2,0,0]=4 9498 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)F)CCCF 1458a_100011195075_100011934791 [0,2,0,0,0,0|2,0,0]=4 9499 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)F)CCCO 1458a_100011195075_100011215043 [0,2,0,0,0,0|1,0,0]=3 9500 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)F)NCCF 11a_100000724931_100011195075 [0,2,0,0,0,0|1,0,0]=3 9501 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)F)NCCF 1626a_100000724931_100011195075 [0,2,0,0,0,0|1,0,0]=3 9502 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)F)NCCF 240690a_100000724931_100011195075 [0,2,0,0,0,0|1,0,0]=3 9503 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)F)NCCO 240690a_100000210304_100011195075 [0,2,0,0,0,0|0,0,0]=2 9504 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)I)CCCBr 6a_100000050832_100000685027 [0,2,0,0,0,0|2,0,0]=4 9505 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)I)CCCCl 6a_100000050832_100011215641 [0,2,0,0,0,0|2,0,0]=4 9506 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)O)CCCBr 6a_100000742332_100000685027 [0,2,0,0,0,0|2,0,0]=4 9507 B16R1.20760 O=C(C=Cc1ccc(c(c1)F)O)CCCCl 6a_100000742332_100011215641 [0,2,0,0,0,0|2,0,0]=4 9508 B16R1.20760 O=C(C=Cc1ccc(c(c1)I)Br)CCCBr 6a_100010146563_100000685027 [0,2,0,0,0,0|2,0,0]=4 9509 B16R1.20760 O=C(C=Cc1ccc(c(c1)I)Br)CCCCl 6a_100010146563_100011215641 [0,2,0,0,0,0|2,0,0]=4 9510 B16R1.20760 O=C(C=Cc1ccc(c(c1)I)Cl)CCCBr 6a_100010209939_100000685027 [0,2,0,0,0,0|2,0,0]=4 9511 B16R1.20760 O=C(C=Cc1ccc(c(c1)I)Cl)CCCCl 6a_100010209939_100011215641 [0,2,0,0,0,0|2,0,0]=4 9512 B16R1.20760 O=C(C=Cc1ccc(c(c1)I)F)CCCBr 6a_100010188209_100000685027 [0,2,0,0,0,0|2,0,0]=4 9513 B16R1.20760 O=C(C=Cc1ccc(c(c1)I)F)CCCCl 6a_100010188209_100011215641 [0,2,0,0,0,0|2,0,0]=4 9514 B16R1.20760 O=C(C=Cc1ccc(c(c1)I)O)CCCBr 6a_100000186752_100000685027 [0,2,0,0,0,0|2,0,0]=4 9515 B16R1.20760 O=C(C=Cc1ccc(c(c1)I)O)CCCCl 6a_100000186752_100011215641 [0,2,0,0,0,0|2,0,0]=4 9516 B16R1.20760 O=C(C=Cc1ccc(c(c1)O)Cl)CCCBr 6a_100009876013_100000685027 [0,2,0,0,0,0|2,0,0]=4 9517 B16R1.20760 O=C(C=Cc1ccc(c(c1)O)Cl)CCCCl 6a_100009876013_100011215641 [0,2,0,0,0,0|2,0,0]=4 9518 B16R1.20760 O=C(C=Cc1ccc(c(c1)O)F)CCCBr 6a_100000102368_100000685027 [0,2,0,0,0,0|2,0,0]=4 9519 B16R1.20760 O=C(C=Cc1ccc(c(c1)O)F)CCCCl 6a_100000102368_100011215641 [0,2,0,0,0,0|2,0,0]=4 9520 B16R1.20760 O=C(C=Cc1ccc(c(c1)O)I)CCCBr 6a_100000041418_100000685027 [0,2,0,0,0,0|2,0,0]=4 9521 B16R1.20760 O=C(C=Cc1ccc(c(c1)O)I)CCCCl 6a_100000041418_100011215641 [0,2,0,0,0,0|2,0,0]=4 9522 B16R1.20760 O=C(C=Cc1ccc(c(c1)O)O)NCCF 240690a_100000724931_100011195073 [0,2,0,0,0,0|1,0,0]=3 9523 B16R1.20760 O=C(C=Cc1ccc(c(c1)O)O)NCCO 240690a_100000210304_100011195073 [0,2,0,0,0,0|0,0,0]=2 9524 B16R1.20760 O=C(CCc1ccc(c(c1)Br)F)NCCO 240690a_100000210304_100011308364 [0,2,0,0,0,0|0,0,2]=4 9525 B16R1.20760 O=C(CCc1ccc(c(c1)Br)F)NCCO 527a_100000210304_100011308364 [0,2,0,0,0,0|0,0,2]=4 9526 B16R1.20760 O=C(CCc1ccc(c(c1)Cl)Br)NCCO 240690a_100000210304_100009812081 [0,2,0,0,0,0|0,0,2]=4 9527 B16R1.20760 O=C(CCc1ccc(c(c1)Cl)Br)NCCO 527a_100000210304_100009812081 [0,2,0,0,0,0|0,0,2]=4 9528 B16R1.20760 O=C(CCc1ccc(c(c1)Cl)Cl)NCCO 240690a_100000210304_100000735579 [0,2,0,0,0,0|0,0,2]=4 9529 B16R1.20760 O=C(CCc1ccc(c(c1)Cl)Cl)NCCO 527a_100000210304_100000735579 [0,2,0,0,0,0|0,0,2]=4 9530 B16R1.20760 O=C(CCc1ccc(c(c1)Cl)F)NCCO 240690a_100000210304_100011218152 [0,2,0,0,0,0|0,0,2]=4 9531 B16R1.20760 O=C(CCc1ccc(c(c1)Cl)F)NCCO 527a_100000210304_100011218152 [0,2,0,0,0,0|0,0,2]=4 9532 B16R1.20760 O=C(CCc1ccc(c(c1)F)Br)NCCO 240690a_100000210304_100010146367 [0,2,0,0,0,0|0,0,2]=4 9533 B16R1.20760 O=C(CCc1ccc(c(c1)F)Br)NCCO 527a_100000210304_100010146367 [0,2,0,0,0,0|0,0,2]=4 9534 B16R1.20760 O=C(CCc1ccc(c(c1)F)Cl)NCCO 240690a_100000210304_100011518922 [0,2,0,0,0,0|0,0,2]=4 9535 B16R1.20760 O=C(CCc1ccc(c(c1)F)Cl)NCCO 527a_100000210304_100011518922 [0,2,0,0,0,0|0,0,2]=4 9536 B16R1.20760 O=C(CCc1ccc(c(c1)F)F)NCCO 240690a_100000210304_100000737970 [0,2,0,0,0,0|0,0,2]=4 9537 B16R1.20760 O=C(CCc1ccc(c(c1)F)F)NCCO 527a_100000210304_100000737970 [0,2,0,0,0,0|0,0,2]=4 9538 B16R1.20760 O=C(COc1ccc(c(c1)Cl)Cl)NCCO 240690a_100000210304_100000191221 [0,2,0,0,0,0|1,0,1]=4 9539 B16R1.20760 O=C(COc1ccc(c(c1)Cl)Cl)NCCO 527a_100000210304_100000191221 [0,2,0,0,0,0|1,0,1]=4 9540 B16R1.20760 O=C(COc1ccc(c(c1)Cl)F)NCCO 240690a_100000210304_100000191248 [0,2,0,0,0,0|1,0,1]=4 9541 B16R1.20760 O=C(COc1ccc(c(c1)Cl)F)NCCO 527a_100000210304_100000191248 [0,2,0,0,0,0|1,0,1]=4 9542 B16R1.20760 O=C(COc1ccc(c(c1)F)Cl)NCCO 240690a_100000210304_100012982646 [0,2,0,0,0,0|1,0,1]=4 9543 B16R1.20760 O=C(COc1ccc(c(c1)F)Cl)NCCO 527a_100000210304_100012982646 [0,2,0,0,0,0|1,0,1]=4 9544 B16R1.20760 O=C(COc1ccc(c(c1)F)F)NCCO 240690a_100000210304_100000246063 [0,2,0,0,0,0|1,0,1]=4 9545 B16R1.20760 O=C(COc1ccc(c(c1)F)F)NCCO 527a_100000210304_100000246063 [0,2,0,0,0,0|1,0,1]=4 9546 B16R1.20760 O=C(CSc1ccc(c(c1)F)F)NCCO 240690a_100000210304_100000204393 [0,2,0,0,0,0|1,0,1]=4 9547 B16R1.20760 O=C(CSc1ccc(c(c1)F)F)NCCO 527a_100000210304_100000204393 [0,2,0,0,0,0|1,0,1]=4 9548 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Br)Br 2708a_100012351559_100000210304 [0,2,0,0,0,0|1,0,1]=4 9549 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Br)Br 273464a_100000210304_100012351559 [0,2,0,0,0,0|1,0,1]=4 9550 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Br)Br 273464a_100012351559_100000210304 [0,2,0,0,0,0|1,0,1]=4 9551 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Br)Br 512a_100012351559_100000210304 [0,2,0,0,0,0|1,0,1]=4 9552 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Br)Cl 2708a_100012349490_100000210304 [0,2,0,0,0,0|1,0,1]=4 9553 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Br)Cl 273464a_100000210304_100012349490 [0,2,0,0,0,0|1,0,1]=4 9554 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Br)Cl 273464a_100012349490_100000210304 [0,2,0,0,0,0|1,0,1]=4 9555 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Br)Cl 512a_100012349490_100000210304 [0,2,0,0,0,0|1,0,1]=4 9556 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Br)F 2708a_100015193890_100000210304 [0,2,0,0,0,0|1,0,1]=4 9557 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Br)F 273464a_100000210304_100015193890 [0,2,0,0,0,0|1,0,1]=4 9558 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Br)F 273464a_100015193890_100000210304 [0,2,0,0,0,0|1,0,1]=4 9559 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Br)F 512a_100015193890_100000210304 [0,2,0,0,0,0|1,0,1]=4 9560 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Cl)Br 2708a_100012362553_100000210304 [0,2,0,0,0,0|1,0,1]=4 9561 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Cl)Br 273464a_100000210304_100012362553 [0,2,0,0,0,0|1,0,1]=4 9562 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Cl)Br 273464a_100012362553_100000210304 [0,2,0,0,0,0|1,0,1]=4 9563 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Cl)Br 512a_100012362553_100000210304 [0,2,0,0,0,0|1,0,1]=4 9564 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Cl)Cl 2708a_100000174881_100000210304 [0,2,0,0,0,0|1,0,1]=4 9565 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Cl)Cl 273464a_100000174881_100000210304 [0,2,0,0,0,0|1,0,1]=4 9566 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Cl)Cl 273464a_100000210304_100000174881 [0,2,0,0,0,0|1,0,1]=4 9567 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Cl)Cl 512a_100000174881_100000210304 [0,2,0,0,0,0|1,0,1]=4 9568 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Cl)F 2708a_100000749334_100000210304 [0,2,0,0,0,0|1,0,1]=4 9569 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Cl)F 273464a_100000210304_100000749334 [0,2,0,0,0,0|1,0,1]=4 9570 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Cl)F 273464a_100000749334_100000210304 [0,2,0,0,0,0|1,0,1]=4 9571 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)Cl)F 512a_100000749334_100000210304 [0,2,0,0,0,0|1,0,1]=4 9572 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)F)Br 2708a_100000755036_100000210304 [0,2,0,0,0,0|1,0,1]=4 9573 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)F)Br 273464a_100000210304_100000755036 [0,2,0,0,0,0|1,0,1]=4 9574 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)F)Br 273464a_100000755036_100000210304 [0,2,0,0,0,0|1,0,1]=4 9575 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)F)Br 512a_100000755036_100000210304 [0,2,0,0,0,0|1,0,1]=4 9576 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)F)Cl 2708a_100011219866_100000210304 [0,2,0,0,0,0|1,0,1]=4 9577 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)F)Cl 273464a_100000210304_100011219866 [0,2,0,0,0,0|1,0,1]=4 9578 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)F)Cl 273464a_100011219866_100000210304 [0,2,0,0,0,0|1,0,1]=4 9579 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)F)Cl 512a_100011219866_100000210304 [0,2,0,0,0,0|1,0,1]=4 9580 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)F)F 2708a_100000737897_100000210304 [0,2,0,0,0,0|1,0,1]=4 9581 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)F)F 273464a_100000210304_100000737897 [0,2,0,0,0,0|1,0,1]=4 9582 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)F)F 273464a_100000737897_100000210304 [0,2,0,0,0,0|1,0,1]=4 9583 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)F)F 512a_100000737897_100000210304 [0,2,0,0,0,0|1,0,1]=4 9584 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)F)O 2708a_100000758358_100000210304 [0,2,0,0,0,0|1,0,1]=4 9585 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)F)O 273464a_100000210304_100000758358 [0,2,0,0,0,0|1,0,1]=4 9586 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)F)O 273464a_100000758358_100000210304 [0,2,0,0,0,0|1,0,1]=4 9587 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)O)Cl 2708a_100020636435_100000210304 [0,2,0,0,0,0|1,0,1]=4 9588 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)O)Cl 273464a_100000210304_100020636435 [0,2,0,0,0,0|1,0,1]=4 9589 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)O)Cl 273464a_100020636435_100000210304 [0,2,0,0,0,0|1,0,1]=4 9590 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)O)Cl 512a_100020636435_100000210304 [0,2,0,0,0,0|1,0,1]=4 9591 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)O)F 2708a_100160469508_100000210304 [0,2,0,0,0,0|1,0,1]=4 9592 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)O)F 273464a_100000210304_100160469508 [0,2,0,0,0,0|1,0,1]=4 9593 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)O)F 273464a_100160469508_100000210304 [0,2,0,0,0,0|1,0,1]=4 9594 B16R1.20760 O=C(NCCO)NCc1ccc(c(c1)O)F 512a_100160469508_100000210304 [0,2,0,0,0,0|1,0,1]=4 9595 B16R1.20760 O=C(NCCO)NNc1ccc(c(c1)Br)F 273464a_100000210304_200025705588 [0,2,0,0,0,0|2,0,0]=4 9596 B16R1.20760 O=C(NCCO)NNc1ccc(c(c1)Cl)Br 273464a_100000210304_100102421838 [0,2,0,0,0,0|2,0,0]=4 9597 B16R1.20760 O=C(NCCO)NNc1ccc(c(c1)Cl)Cl 273464a_100000210304_100000106602 [0,2,0,0,0,0|2,0,0]=4 9598 B16R1.20760 O=C(NCCO)NNc1ccc(c(c1)Cl)F 273464a_100000210304_100000007618 [0,2,0,0,0,0|2,0,0]=4 9599 B16R1.20760 O=C(NCCO)NNc1ccc(c(c1)F)Br 273464a_100000210304_100016992936 [0,2,0,0,0,0|2,0,0]=4 9600 B16R1.20760 O=C(NCCO)NNc1ccc(c(c1)F)F 273464a_100000210304_100015184291 [0,2,0,0,0,0|2,0,0]=4 9601 B16R1.658 C#CCNC(=O)/C(=C/c1ccc(cc1)F)/C 11a_100000212058_100053117043 [0,2,0,0,0,0|1,0,1]=4 9602 B16R1.658 C#CCNC(=O)/C(=C/c1ccc(cc1)F)/C 1626a_100000212058_100053117043 [0,2,0,0,0,0|1,0,1]=4 9603 B16R1.658 C#CCNC(=O)/C(=C/c1ccc(cc1)F)/C 240690a_100000212058_100053117043 [0,2,0,0,0,0|1,0,1]=4 9604 B16R1.658 C#CCNC(=O)/C(=C/c1ccc(cc1)F)/C 527a_100000212058_100053117043 [0,2,0,0,0,0|1,0,1]=4 9605 B16R1.658 C/C(=C\c1ccc(cc1)F)/C(=O)CCCF 1458a_100053117043_100011934791 [0,2,0,0,0,0|2,0,0]=4 9606 B16R1.658 C/C(=C\c1ccc(cc1)F)/C(=O)CCCO 1458a_100053117043_100011215043 [0,2,0,0,0,0|1,0,0]=3 9607 B16R1.658 C/C(=C\c1ccc(cc1)F)/C(=O)NCC#N 1626a_100000734998_100053117043 [0,2,0,0,0,0|1,0,1]=4 9608 B16R1.658 C/C(=C\c1ccc(cc1)F)/C(=O)NCC#N 527a_100000734998_100053117043 [0,2,0,0,0,0|1,0,1]=4 9609 B16R1.658 C/C(=C\c1ccc(cc1)F)/C(=O)NCCF 11a_100000724931_100053117043 [0,2,0,0,0,0|1,0,0]=3 9610 B16R1.658 C/C(=C\c1ccc(cc1)F)/C(=O)NCCF 1626a_100000724931_100053117043 [0,2,0,0,0,0|1,0,0]=3 9611 B16R1.658 C/C(=C\c1ccc(cc1)F)/C(=O)NCCF 240690a_100000724931_100053117043 [0,2,0,0,0,0|1,0,0]=3 9612 B16R1.658 C/C(=C\c1ccc(cc1)F)/C(=O)NCCF 527a_100000724931_100053117043 [0,2,0,0,0,0|1,0,0]=3 9613 B16R1.658 C/C(=C\c1ccc(cc1)F)/C(=O)NCCO 240690a_100000210304_100053117043 [0,2,0,0,0,0|0,0,0]=2 9614 B16R1.658 C/C(=C\c1ccc(cc1)F)/C(=O)NCCO 527a_100000210304_100053117043 [0,2,0,0,0,0|0,0,0]=2 9615 B16R1.658 C=CCNC(=O)/C(=C/c1ccc(cc1)F)/C 1626a_100020586998_100053117043 [0,2,0,0,0,0|1,0,1]=4 9616 B16R1.658 C=CCNC(=O)/C(=C/c1ccc(cc1)F)/C 240690a_100020586998_100053117043 [0,2,0,0,0,0|1,0,1]=4 9617 B16R1.658 C=CCNC(=O)/C(=C/c1ccc(cc1)F)/C 527a_100020586998_100053117043 [0,2,0,0,0,0|1,0,1]=4 9618 B16R1.658 CC(Cc1ccc(cc1)Br)C(=O)NCCO 240690a_100000210304_100000695199 [0,2,0,0,0,0|0,0,2]=4 9619 B16R1.658 CC(Cc1ccc(cc1)Br)C(=O)NCCO 527a_100000210304_100000695199 [0,2,0,0,0,0|0,0,2]=4 9620 B16R1.658 CC(Cc1ccc(cc1)F)C(=O)NCCO 240690a_100000210304_100000746122 [0,2,0,0,0,0|0,0,2]=4 9621 B16R1.658 CC(Cc1ccc(cc1)F)C(=O)NCCO 527a_100000210304_100000746122 [0,2,0,0,0,0|0,0,2]=4 9622 B16R1.658 CC(Oc1ccc(cc1)Br)C(=O)NCCO 240690a_100000210304_100000181392 [0,2,0,0,0,0|1,0,1]=4 9623 B16R1.658 CC(Oc1ccc(cc1)Br)C(=O)NCCO 527a_100000210304_100000181392 [0,2,0,0,0,0|1,0,1]=4 9624 B16R1.658 CC(Oc1ccc(cc1)Cl)C(=O)NCCO 240690a_100000210304_100000184027 [0,2,0,0,0,0|1,0,1]=4 9625 B16R1.658 CC(Oc1ccc(cc1)Cl)C(=O)NCCO 527a_100000210304_100000184027 [0,2,0,0,0,0|1,0,1]=4 9626 B16R1.658 CC(Oc1ccc(cc1)F)C(=O)NCCO 240690a_100000210304_100000203723 [0,2,0,0,0,0|1,0,1]=4 9627 B16R1.658 CC(Oc1ccc(cc1)F)C(=O)NCCO 527a_100000210304_100000203723 [0,2,0,0,0,0|1,0,1]=4 9628 B16R1.658 CC(Sc1ccc(cc1)Cl)C(=O)NCCO 240690a_100000210304_100000178403 [0,2,0,0,0,0|1,0,1]=4 9629 B16R1.658 CC(Sc1ccc(cc1)Cl)C(=O)NCCO 527a_100000210304_100000178403 [0,2,0,0,0,0|1,0,1]=4 9630 B16R1.658 CC(Sc1ccc(cc1)F)C(=O)NCCO 240690a_100000210304_100000181075 [0,2,0,0,0,0|1,0,1]=4 9631 B16R1.658 CC(Sc1ccc(cc1)F)C(=O)NCCO 527a_100000210304_100000181075 [0,2,0,0,0,0|1,0,1]=4 9632 B16R1.658 CCCCC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_100000210211 [0,2,0,0,0,0|2,0,0]=4 9633 B16R1.658 CCCNC(=O)/C(=C/c1ccc(cc1)F)/C 11a_100020643023_100053117043 [0,2,0,0,0,0|1,0,0]=3 9634 B16R1.658 CCCNC(=O)/C(=C/c1ccc(cc1)F)/C 1626a_100020643023_100053117043 [0,2,0,0,0,0|1,0,0]=3 9635 B16R1.658 CCCNC(=O)/C(=C/c1ccc(cc1)F)/C 240690a_100020643023_100053117043 [0,2,0,0,0,0|1,0,0]=3 9636 B16R1.658 CCCNC(=O)/C(=C/c1ccc(cc1)F)/C 527a_100020643023_100053117043 [0,2,0,0,0,0|1,0,0]=3 9637 B16R1.658 CCCNC(=O)C(=O)Cc1ccc(cc1)Br 1458a_200011297150_100000189115 [0,2,0,0,0,0|1,0,1]=4 9638 B16R1.658 CCCNC(=O)C(=O)Cc1ccc(cc1)C 1458a_200011297150_100000210814 [0,2,0,0,0,0|1,0,1]=4 9639 B16R1.658 CCCNC(=O)C(=O)Cc1ccc(cc1)Cl 1458a_200011297150_100000694040 [0,2,0,0,0,0|1,0,1]=4 9640 B16R1.658 CCCNC(=O)C(=O)Cc1ccc(cc1)F 1458a_200011297150_100000198546 [0,2,0,0,0,0|1,0,1]=4 9641 B16R1.658 CCCNC(=O)C(=O)Cc1ccc(cc1)I 1458a_200011297150_100000189116 [0,2,0,0,0,0|1,0,1]=4 9642 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_200011297150 [0,2,0,0,0,0|2,0,0]=4 9643 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_200011297150 [0,2,0,0,0,0|2,0,0]=4 9644 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)Br 527a_100000210018_200011297150 [0,2,0,0,0,0|2,0,0]=4 9645 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)C 1626a_100000124888_200011297150 [0,2,0,0,0,0|2,0,0]=4 9646 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)C 1626a_100020643023_100000189662 [0,2,0,0,0,0|2,0,0]=4 9647 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)C 22a_100000124888_200011297150 [0,2,0,0,0,0|2,0,0]=4 9648 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)C 240690a_100020643023_100000189662 [0,2,0,0,0,0|2,0,0]=4 9649 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)C 527a_100000124888_200011297150 [0,2,0,0,0,0|2,0,0]=4 9650 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_200011297150 [0,2,0,0,0,0|2,0,0]=4 9651 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)Cl 1626a_100020643023_100000199041 [0,2,0,0,0,0|2,0,0]=4 9652 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_200011297150 [0,2,0,0,0,0|2,0,0]=4 9653 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)Cl 240690a_100020643023_100000199041 [0,2,0,0,0,0|2,0,0]=4 9654 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)Cl 527a_100000210052_200011297150 [0,2,0,0,0,0|2,0,0]=4 9655 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)F 1626a_100000185862_200011297150 [0,2,0,0,0,0|2,0,0]=4 9656 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)F 1626a_100020643023_100011297306 [0,2,0,0,0,0|2,0,0]=4 9657 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)F 22a_100000185862_200011297150 [0,2,0,0,0,0|2,0,0]=4 9658 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)F 240690a_100020643023_100011297306 [0,2,0,0,0,0|2,0,0]=4 9659 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)F 527a_100000185862_200011297150 [0,2,0,0,0,0|2,0,0]=4 9660 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)I 1626a_100000185761_200011297150 [0,2,0,0,0,0|2,0,0]=4 9661 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)I 22a_100000185761_200011297150 [0,2,0,0,0,0|2,0,0]=4 9662 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)I 527a_100000185761_200011297150 [0,2,0,0,0,0|2,0,0]=4 9663 B16R1.658 CCCNC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_200011297150 [0,2,0,0,0,0|2,0,0]=4 9664 B16R1.658 CCCNC(=O)C(=O)Sc1ccc(cc1)C 11a_100020643023_100009913200 [0,2,0,0,0,0|2,0,0]=4 9665 B16R1.658 CCCNC(=O)C(=O)Sc1ccc(cc1)C 1626a_100020643023_100009913200 [0,2,0,0,0,0|2,0,0]=4 9666 B16R1.658 CCCNC(=O)C(=O)Sc1ccc(cc1)C 240690a_100020643023_100009913200 [0,2,0,0,0,0|2,0,0]=4 9667 B16R1.658 CCCNC(=O)C(=O)Sc1ccc(cc1)C 527a_100020643023_100009913200 [0,2,0,0,0,0|2,0,0]=4 9668 B16R1.658 CCNNC(=O)/C(=C/c1ccc(cc1)F)/C 22a_100000756455_100053117043 [0,2,0,0,0,0|2,0,0]=4 9669 B16R1.658 CN(Cc1ccc(cc1)Br)C(=O)NCCO 273464a_100000210304_100000180866 [0,2,0,0,0,0|1,0,1]=4 9670 B16R1.658 CN(Cc1ccc(cc1)Cl)C(=O)NCCO 273464a_100000210304_100000184517 [0,2,0,0,0,0|1,0,1]=4 9671 B16R1.658 CN(Cc1ccc(cc1)F)C(=O)NCCO 273464a_100000210304_100000184576 [0,2,0,0,0,0|1,0,1]=4 9672 B16R1.658 CN(Cc1ccc(cc1)O)C(=O)NCCO 273464a_100000210304_100000207500 [0,2,0,0,0,0|1,0,1]=4 9673 B16R1.658 C[C@@H](Oc1ccc(cc1)O)C(=O)NCCO 240690a_100000210304_100000005562 [0,2,0,0,0,0|1,0,1]=4 9674 B16R1.658 C[C@@H](Oc1ccc(cc1)O)C(=O)NCCO 527a_100000210304_100000005562 [0,2,0,0,0,0|1,0,1]=4 9675 B16R1.658 Cc1ccc(cc1)CN(C)C(=O)NCCO 273464a_100000210304_100000744650 [0,2,0,0,0,0|1,0,1]=4 9676 B16R1.658 Cc1ccc(cc1)NC(=O)C(=O)CCCO 1458a_100000189662_100011215043 [0,2,0,0,0,0|2,0,0]=4 9677 B16R1.658 Cc1ccc(cc1)NC(=O)C(=O)NCCF 1626a_100000724931_100000189662 [0,2,0,0,0,0|2,0,0]=4 9678 B16R1.658 Cc1ccc(cc1)NC(=O)C(=O)NCCF 240690a_100000724931_100000189662 [0,2,0,0,0,0|2,0,0]=4 9679 B16R1.658 Cc1ccc(cc1)NC(=O)C(=O)NCCO 240690a_100000210304_100000189662 [0,2,0,0,0,0|1,0,0]=3 9680 B16R1.658 Cc1ccc(cc1)OC(C)C(=O)NCCO 240690a_100000210304_100000183867 [0,2,0,0,0,0|1,0,1]=4 9681 B16R1.658 Cc1ccc(cc1)OC(C)C(=O)NCCO 527a_100000210304_100000183867 [0,2,0,0,0,0|1,0,1]=4 9682 B16R1.658 Cc1ccc(cc1)SC(=O)C(=O)NCCF 11a_100000724931_100009913200 [0,2,0,0,0,0|2,0,0]=4 9683 B16R1.658 Cc1ccc(cc1)SC(=O)C(=O)NCCF 1626a_100000724931_100009913200 [0,2,0,0,0,0|2,0,0]=4 9684 B16R1.658 Cc1ccc(cc1)SC(=O)C(=O)NCCF 240690a_100000724931_100009913200 [0,2,0,0,0,0|2,0,0]=4 9685 B16R1.658 Cc1ccc(cc1)SC(=O)C(=O)NCCF 527a_100000724931_100009913200 [0,2,0,0,0,0|2,0,0]=4 9686 B16R1.658 Cc1ccc(cc1)SC(=O)C(=O)NCCO 240690a_100000210304_100009913200 [0,2,0,0,0,0|1,0,0]=3 9687 B16R1.658 Cc1ccc(cc1)SC(=O)C(=O)NCCO 527a_100000210304_100009913200 [0,2,0,0,0,0|1,0,0]=3 9688 B16R1.658 Cc1ccc(cc1)SC(C)C(=O)NCCO 240690a_100000210304_100000181072 [0,2,0,0,0,0|1,0,1]=4 9689 B16R1.658 Cc1ccc(cc1)SC(C)C(=O)NCCO 527a_100000210304_100000181072 [0,2,0,0,0,0|1,0,1]=4 9690 B16R1.658 O=C(NCCF)C(=O)Nc1ccc(cc1)Cl 1626a_100000724931_100000199041 [0,2,0,0,0,0|2,0,0]=4 9691 B16R1.658 O=C(NCCF)C(=O)Nc1ccc(cc1)Cl 240690a_100000724931_100000199041 [0,2,0,0,0,0|2,0,0]=4 9692 B16R1.658 O=C(NCCF)C(=O)Nc1ccc(cc1)F 1626a_100000724931_100011297306 [0,2,0,0,0,0|2,0,0]=4 9693 B16R1.658 O=C(NCCF)C(=O)Nc1ccc(cc1)F 240690a_100000724931_100011297306 [0,2,0,0,0,0|2,0,0]=4 9694 B16R1.658 O=C(NCCO)C(=O)Nc1ccc(cc1)Cl 240690a_100000210304_100000199041 [0,2,0,0,0,0|1,0,0]=3 9695 B16R1.658 O=C(NCCO)C(=O)Nc1ccc(cc1)F 240690a_100000210304_100011297306 [0,2,0,0,0,0|1,0,0]=3 9696 B16R1.658 O=C(NCCO)C(=O)Nc1ccc(cn1)Cl 240690a_100000210304_100011297360 [0,2,0,0,0,0|2,0,0]=4 9697 B16R1.658 O=C(NCCO)C(O)Cc1ccc(cc1)Cl 240690a_100000210304_100012362158 [0,2,0,0,0,0|0,0,2]=4 9698 B16R1.658 O=C(NCCO)C(O)Cc1ccc(cc1)F 240690a_100000210304_100012179405 [0,2,0,0,0,0|0,0,2]=4 9699 B16R1.658 O=C(NCCO)C(O)Cc1ccc(cc1)O 240690a_100000210304_100015278814 [0,2,0,0,0,0|0,0,2]=4 9700 B16R1.658 O=C(NCCO)[C@@H](O)Cc1ccc(cc1)Br 240690a_100000210304_200015644258 [0,2,0,0,0,0|0,0,2]=4 9701 B16R1.850 C#CC(C)NC(=O)C=Cc1ccc(cc1)Br 11a_100000707721_100016267368 [0,2,0,0,0,0|1,0,1]=4 9702 B16R1.850 C#CC(C)NC(=O)C=Cc1ccc(cc1)Br 1626a_100000707721_100016267368 [0,2,0,0,0,0|1,0,1]=4 9703 B16R1.850 C#CC(C)NC(=O)C=Cc1ccc(cc1)C 11a_100000707721_100000716854 [0,2,0,0,0,0|1,0,1]=4 9704 B16R1.850 C#CC(C)NC(=O)C=Cc1ccc(cc1)C 1626a_100000707721_100000716854 [0,2,0,0,0,0|1,0,1]=4 9705 B16R1.850 C#CC(C)NC(=O)C=Cc1ccc(cc1)C 240690a_100000707721_100000716854 [0,2,0,0,0,0|1,0,1]=4 9706 B16R1.850 C#CC(C)NC(=O)C=Cc1ccc(cc1)Cl 11a_100000707721_100000184863 [0,2,0,0,0,0|1,0,1]=4 9707 B16R1.850 C#CC(C)NC(=O)C=Cc1ccc(cc1)Cl 1626a_100000707721_100000184863 [0,2,0,0,0,0|1,0,1]=4 9708 B16R1.850 C#CC(C)NC(=O)C=Cc1ccc(cc1)Cl 240690a_100000707721_100000184863 [0,2,0,0,0,0|1,0,1]=4 9709 B16R1.850 C#CC(C)NC(=O)C=Cc1ccc(cc1)F 11a_100000707721_100000182136 [0,2,0,0,0,0|1,0,1]=4 9710 B16R1.850 C#CC(C)NC(=O)C=Cc1ccc(cc1)F 1626a_100000707721_100000182136 [0,2,0,0,0,0|1,0,1]=4 9711 B16R1.850 C#CC(C)NC(=O)C=Cc1ccc(cc1)F 240690a_100000707721_100000182136 [0,2,0,0,0,0|1,0,1]=4 9712 B16R1.850 C#CC(C)NC(=O)C=Cc1ccc(cc1)I 11a_100000707721_100102526154 [0,2,0,0,0,0|1,0,1]=4 9713 B16R1.850 C#CC(C)NC(=O)C=Cc1ccc(cc1)I 1626a_100000707721_100102526154 [0,2,0,0,0,0|1,0,1]=4 9714 B16R1.850 C#CC(C)NC(=O)C=Cc1ccc(cc1)I 240690a_100000707721_100102526154 [0,2,0,0,0,0|1,0,1]=4 9715 B16R1.850 C#CC(C)NC(=O)C=Cc1ccc(cc1)O 240690a_100000707721_100016269017 [0,2,0,0,0,0|1,0,1]=4 9716 B16R1.850 CC(C#N)NC(=O)C=Cc1ccc(cc1)Br 11a_100000737613_100016267368 [0,2,0,0,0,0|1,0,1]=4 9717 B16R1.850 CC(C#N)NC(=O)C=Cc1ccc(cc1)Br 1626a_100000737613_100016267368 [0,2,0,0,0,0|1,0,1]=4 9718 B16R1.850 CC(C#N)NC(=O)C=Cc1ccc(cc1)Cl 11a_100000737613_100000184863 [0,2,0,0,0,0|1,0,1]=4 9719 B16R1.850 CC(C#N)NC(=O)C=Cc1ccc(cc1)Cl 1626a_100000737613_100000184863 [0,2,0,0,0,0|1,0,1]=4 9720 B16R1.850 CC(C#N)NC(=O)C=Cc1ccc(cc1)F 11a_100000737613_100000182136 [0,2,0,0,0,0|1,0,1]=4 9721 B16R1.850 CC(C#N)NC(=O)C=Cc1ccc(cc1)F 1626a_100000737613_100000182136 [0,2,0,0,0,0|1,0,1]=4 9722 B16R1.850 CC(C#N)NC(=O)C=Cc1ccc(cc1)I 11a_100000737613_100102526154 [0,2,0,0,0,0|1,0,1]=4 9723 B16R1.850 CC(C#N)NC(=O)C=Cc1ccc(cc1)I 1626a_100000737613_100102526154 [0,2,0,0,0,0|1,0,1]=4 9724 B16R1.850 CCC(C)CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000748023 [0,2,0,0,0,0|2,0,0]=4 9725 B16R1.850 CCC(C)CC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011710205 [0,2,0,0,0,0|2,0,0]=4 9726 B16R1.850 CCC(C)CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000748023 [0,2,0,0,0,0|2,0,0]=4 9727 B16R1.850 CCC(C)CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000748023 [0,2,0,0,0,0|2,0,0]=4 9728 B16R1.850 CCC(C)CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000748023 [0,2,0,0,0,0|2,0,0]=4 9729 B16R1.850 CCC(C)CC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011710205 [0,2,0,0,0,0|2,0,0]=4 9730 B16R1.850 CCC(C)CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000748023 [0,2,0,0,0,0|2,0,0]=4 9731 B16R1.850 CCC(C)CC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011710205 [0,2,0,0,0,0|2,0,0]=4 9732 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cc1)Br 11a_100000209981_100016267368 [0,2,0,0,0,0|1,0,0]=3 9733 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cc1)Br 1626a_100000209981_100016267368 [0,2,0,0,0,0|1,0,0]=3 9734 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cc1)C 11a_100000209981_100000716854 [0,2,0,0,0,0|1,0,0]=3 9735 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cc1)C 1626a_100000209981_100000716854 [0,2,0,0,0,0|1,0,0]=3 9736 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cc1)C 240690a_100000209981_100000716854 [0,2,0,0,0,0|1,0,0]=3 9737 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cc1)Cl 11a_100000209981_100000184863 [0,2,0,0,0,0|1,0,0]=3 9738 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cc1)Cl 1626a_100000209981_100000184863 [0,2,0,0,0,0|1,0,0]=3 9739 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cc1)Cl 240690a_100000209981_100000184863 [0,2,0,0,0,0|1,0,0]=3 9740 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cc1)F 11a_100000209981_100000182136 [0,2,0,0,0,0|1,0,0]=3 9741 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cc1)F 1626a_100000209981_100000182136 [0,2,0,0,0,0|1,0,0]=3 9742 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cc1)F 240690a_100000209981_100000182136 [0,2,0,0,0,0|1,0,0]=3 9743 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cc1)I 11a_100000209981_100102526154 [0,2,0,0,0,0|1,0,0]=3 9744 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cc1)I 1626a_100000209981_100102526154 [0,2,0,0,0,0|1,0,0]=3 9745 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cc1)I 240690a_100000209981_100102526154 [0,2,0,0,0,0|1,0,0]=3 9746 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cc1)O 240690a_100000209981_100016269017 [0,2,0,0,0,0|1,0,0]=3 9747 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cn1)F 11a_100000209981_100020630499 [0,2,0,0,0,0|2,0,0]=4 9748 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cn1)F 1626a_100000209981_100020630499 [0,2,0,0,0,0|2,0,0]=4 9749 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(cn1)F 240690a_100000209981_100020630499 [0,2,0,0,0,0|2,0,0]=4 9750 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(nc1)Br 11a_100000209981_100020588214 [0,2,0,0,0,0|2,0,0]=4 9751 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(nc1)Br 1626a_100000209981_100020588214 [0,2,0,0,0,0|2,0,0]=4 9752 B16R1.850 CCC(C)NC(=O)C=Cc1ccc(nc1)Br 240690a_100000209981_100020588214 [0,2,0,0,0,0|2,0,0]=4 9753 B16R1.850 CCC(O)CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100011218378 [0,2,0,0,0,0|2,0,0]=4 9754 B16R1.850 CCC(O)CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100011218378 [0,2,0,0,0,0|2,0,0]=4 9755 B16R1.850 CCC(O)CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100011218378 [0,2,0,0,0,0|2,0,0]=4 9756 B16R1.850 CCC(O)CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100011218378 [0,2,0,0,0,0|2,0,0]=4 9757 B16R1.850 CCC(O)CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100011218378 [0,2,0,0,0,0|2,0,0]=4 9758 B16R1.850 CC[C@H](C)CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100009816398 [0,2,0,0,0,0|2,0,0]=4 9759 B16R1.850 CC[C@H](C)CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100009816398 [0,2,0,0,0,0|2,0,0]=4 9760 B16R1.850 CC[C@H](C)CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100009816398 [0,2,0,0,0,0|2,0,0]=4 9761 B16R1.850 CC[C@H](C)CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100009816398 [0,2,0,0,0,0|2,0,0]=4 9762 B16R1.850 CC[C@H](C)CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100009816398 [0,2,0,0,0,0|2,0,0]=4 9763 B16R1.850 C[C@@H](CO)CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000059175 [0,2,0,0,0,0|1,0,0]=3 9764 B16R1.850 C[C@@H](CO)CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000059175 [0,2,0,0,0,0|1,0,0]=3 9765 B16R1.850 C[C@@H](CO)CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000059175 [0,2,0,0,0,0|1,0,0]=3 9766 B16R1.850 C[C@@H](CO)CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000059175 [0,2,0,0,0,0|1,0,0]=3 9767 B16R1.850 C[C@@H](CO)CC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000059175 [0,2,0,0,0,0|2,0,0]=4 9768 B16R1.850 C[C@@H](CO)CC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100000059175 [0,2,0,0,0,0|2,0,0]=4 9769 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(cc1)Br 11a_100102880703_100016267368 [0,2,0,0,0,0|1,0,0]=3 9770 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(cc1)Br 1626a_100102880703_100016267368 [0,2,0,0,0,0|1,0,0]=3 9771 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(cc1)Cl 11a_100102880703_100000184863 [0,2,0,0,0,0|1,0,0]=3 9772 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(cc1)Cl 1626a_100102880703_100000184863 [0,2,0,0,0,0|1,0,0]=3 9773 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(cc1)Cl 240690a_100102880703_100000184863 [0,2,0,0,0,0|1,0,0]=3 9774 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(cc1)F 11a_100102880703_100000182136 [0,2,0,0,0,0|1,0,0]=3 9775 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(cc1)F 1626a_100102880703_100000182136 [0,2,0,0,0,0|1,0,0]=3 9776 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(cc1)F 240690a_100102880703_100000182136 [0,2,0,0,0,0|1,0,0]=3 9777 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(cc1)I 11a_100102880703_100102526154 [0,2,0,0,0,0|1,0,0]=3 9778 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(cc1)I 1626a_100102880703_100102526154 [0,2,0,0,0,0|1,0,0]=3 9779 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(cc1)I 240690a_100102880703_100102526154 [0,2,0,0,0,0|1,0,0]=3 9780 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(cc1)O 240690a_100102880703_100016269017 [0,2,0,0,0,0|1,0,0]=3 9781 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(cn1)F 11a_100102880703_100020630499 [0,2,0,0,0,0|2,0,0]=4 9782 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(cn1)F 1626a_100102880703_100020630499 [0,2,0,0,0,0|2,0,0]=4 9783 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(cn1)F 240690a_100102880703_100020630499 [0,2,0,0,0,0|2,0,0]=4 9784 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(nc1)Br 11a_100102880703_100020588214 [0,2,0,0,0,0|2,0,0]=4 9785 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(nc1)Br 1626a_100102880703_100020588214 [0,2,0,0,0,0|2,0,0]=4 9786 B16R1.850 C[C@H](CF)NC(=O)C=Cc1ccc(nc1)Br 240690a_100102880703_100020588214 [0,2,0,0,0,0|2,0,0]=4 9787 B16R1.850 C[C@H](CO)NC(=O)C#Cc1ccc(cc1)Cl 240690a_100000737577_100011892723 [0,2,0,0,0,0|0,0,2]=4 9788 B16R1.850 C[C@H](CO)NC(=O)C#Cc1ccc(cc1)F 240690a_100000737577_100000238512 [0,2,0,0,0,0|0,0,2]=4 9789 B16R1.850 C[C@H](CO)NC(=O)C=Cc1ccc(cc1)Cl 240690a_100000737577_100000184863 [0,2,0,0,0,0|0,0,0]=2 9790 B16R1.850 C[C@H](CO)NC(=O)C=Cc1ccc(cc1)F 240690a_100000737577_100000182136 [0,2,0,0,0,0|0,0,0]=2 9791 B16R1.850 C[C@H](CO)NC(=O)C=Cc1ccc(cc1)I 240690a_100000737577_100102526154 [0,2,0,0,0,0|0,0,0]=2 9792 B16R1.850 C[C@H](CO)NC(=O)C=Cc1ccc(cc1)O 240690a_100000737577_100016269017 [0,2,0,0,0,0|0,0,0]=2 9793 B16R1.850 C[C@H](CO)NC(=O)C=Cc1ccc(cn1)F 240690a_100000737577_100020630499 [0,2,0,0,0,0|1,0,0]=3 9794 B16R1.850 C[C@H](CO)NC(=O)C=Cc1ccc(nc1)Br 240690a_100000737577_100020588214 [0,2,0,0,0,0|1,0,0]=3 9795 B16R1.850 C[C@H](CO)NC(=O)CCc1ccc(cc1)Br 240690a_100000737577_100000217147 [0,2,0,0,0,0|0,0,2]=4 9796 B16R1.850 C[C@H](CO)NC(=O)CCc1ccc(cc1)Br 527a_100000737577_100000217147 [0,2,0,0,0,0|0,0,2]=4 9797 B16R1.850 C[C@H](CO)NC(=O)CCc1ccc(cc1)Cl 240690a_100000737577_100000235379 [0,2,0,0,0,0|0,0,2]=4 9798 B16R1.850 C[C@H](CO)NC(=O)CCc1ccc(cc1)Cl 527a_100000737577_100000235379 [0,2,0,0,0,0|0,0,2]=4 9799 B16R1.850 C[C@H](CO)NC(=O)CCc1ccc(cc1)F 240690a_100000737577_100000198493 [0,2,0,0,0,0|0,0,2]=4 9800 B16R1.850 C[C@H](CO)NC(=O)CCc1ccc(cc1)F 527a_100000737577_100000198493 [0,2,0,0,0,0|0,0,2]=4 9801 B16R1.850 C[C@H](CO)NC(=O)CCc1ccc(cc1)I 240690a_100000737577_100011217499 [0,2,0,0,0,0|0,0,2]=4 9802 B16R1.850 C[C@H](CO)NC(=O)CCc1ccc(cc1)I 527a_100000737577_100011217499 [0,2,0,0,0,0|0,0,2]=4 9803 B16R1.850 C[C@H](CO)NC(=O)CCc1ccc(cc1)O 240690a_100000737577_100000742835 [0,2,0,0,0,0|0,0,2]=4 9804 B16R1.850 C[C@H](CO)NC(=O)COc1ccc(cc1)Br 240690a_100000737577_100000182358 [0,2,0,0,0,0|1,0,1]=4 9805 B16R1.850 C[C@H](CO)NC(=O)COc1ccc(cc1)Br 527a_100000737577_100000182358 [0,2,0,0,0,0|1,0,1]=4 9806 B16R1.850 C[C@H](CO)NC(=O)COc1ccc(cc1)Cl 240690a_100000737577_100016990877 [0,2,0,0,0,0|1,0,1]=4 9807 B16R1.850 C[C@H](CO)NC(=O)COc1ccc(cc1)Cl 527a_100000737577_100016990877 [0,2,0,0,0,0|1,0,1]=4 9808 B16R1.850 C[C@H](CO)NC(=O)COc1ccc(cc1)F 240690a_100000737577_100000184765 [0,2,0,0,0,0|1,0,1]=4 9809 B16R1.850 C[C@H](CO)NC(=O)COc1ccc(cc1)F 527a_100000737577_100000184765 [0,2,0,0,0,0|1,0,1]=4 9810 B16R1.850 C[C@H](CO)NC(=O)COc1ccc(cc1)I 240690a_100000737577_100000184369 [0,2,0,0,0,0|1,0,1]=4 9811 B16R1.850 C[C@H](CO)NC(=O)COc1ccc(cc1)I 527a_100000737577_100000184369 [0,2,0,0,0,0|1,0,1]=4 9812 B16R1.850 C[C@H](CO)NC(=O)COc1ccc(cc1)O 240690a_100000737577_100000031633 [0,2,0,0,0,0|1,0,1]=4 9813 B16R1.850 C[C@H](CO)NC(=O)COc1ccc(cc1)O 527a_100000737577_100000031633 [0,2,0,0,0,0|1,0,1]=4 9814 B16R1.850 C[C@H](CO)NC(=O)CSc1ccc(cc1)Br 240690a_100000737577_100000179496 [0,2,0,0,0,0|1,0,1]=4 9815 B16R1.850 C[C@H](CO)NC(=O)CSc1ccc(cc1)Br 527a_100000737577_100000179496 [0,2,0,0,0,0|1,0,1]=4 9816 B16R1.850 C[C@H](CO)NC(=O)CSc1ccc(cc1)Cl 240690a_100000737577_100000178402 [0,2,0,0,0,0|1,0,1]=4 9817 B16R1.850 C[C@H](CO)NC(=O)CSc1ccc(cc1)Cl 527a_100000737577_100000178402 [0,2,0,0,0,0|1,0,1]=4 9818 B16R1.850 C[C@H](CO)NC(=O)CSc1ccc(cc1)F 240690a_100000737577_100000691584 [0,2,0,0,0,0|1,0,1]=4 9819 B16R1.850 C[C@H](CO)NC(=O)CSc1ccc(cc1)F 527a_100000737577_100000691584 [0,2,0,0,0,0|1,0,1]=4 9820 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)Br 2708a_100000174875_100000737577 [0,2,0,0,0,0|1,0,1]=4 9821 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)Br 273464a_100000737577_100000174875 [0,2,0,0,0,0|1,0,1]=4 9822 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)Br 512a_100000174875_100000737577 [0,2,0,0,0,0|1,0,1]=4 9823 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)Br 512a_100000737577_100000174875 [0,2,0,0,0,0|1,0,1]=4 9824 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_100000737577 [0,2,0,0,0,0|1,0,1]=4 9825 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)Cl 273464a_100000737577_100000174871 [0,2,0,0,0,0|1,0,1]=4 9826 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)Cl 512a_100000737577_100000174871 [0,2,0,0,0,0|1,0,1]=4 9827 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)F 2708a_100000174882_100000737577 [0,2,0,0,0,0|1,0,1]=4 9828 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)F 273464a_100000737577_100000174882 [0,2,0,0,0,0|1,0,1]=4 9829 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)F 512a_100000174882_100000737577 [0,2,0,0,0,0|1,0,1]=4 9830 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)F 512a_100000737577_100000174882 [0,2,0,0,0,0|1,0,1]=4 9831 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)I 2708a_100016989417_100000737577 [0,2,0,0,0,0|1,0,1]=4 9832 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)I 273464a_100000737577_100016989417 [0,2,0,0,0,0|1,0,1]=4 9833 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)I 512a_100000737577_100016989417 [0,2,0,0,0,0|1,0,1]=4 9834 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)I 512a_100016989417_100000737577 [0,2,0,0,0,0|1,0,1]=4 9835 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)O 2708a_100000185549_100000737577 [0,2,0,0,0,0|1,0,1]=4 9836 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)O 273464a_100000737577_100000185549 [0,2,0,0,0,0|1,0,1]=4 9837 B16R1.850 C[C@H](CO)NC(=O)NCc1ccc(cc1)O 512a_100000737577_100000185549 [0,2,0,0,0,0|1,0,1]=4 9838 B16R1.850 C[C@H](CO)NC(=O)NNc1ccc(cc1)Br 273464a_100000737577_100000735608 [0,2,0,0,0,0|2,0,0]=4 9839 B16R1.850 C[C@H](CO)NC(=O)NNc1ccc(cc1)Br 512a_100000737577_100000735608 [0,2,0,0,0,0|2,0,0]=4 9840 B16R1.850 C[C@H](CO)NC(=O)NNc1ccc(cc1)Cl 273464a_100000737577_100000683521 [0,2,0,0,0,0|2,0,0]=4 9841 B16R1.850 C[C@H](CO)NC(=O)NNc1ccc(cc1)Cl 512a_100000737577_100000683521 [0,2,0,0,0,0|2,0,0]=4 9842 B16R1.850 C[C@H](CO)NC(=O)NNc1ccc(cc1)F 273464a_100000737577_100000728448 [0,2,0,0,0,0|2,0,0]=4 9843 B16R1.850 C[C@H](CO)NC(=O)NNc1ccc(cc1)F 512a_100000737577_100000728448 [0,2,0,0,0,0|2,0,0]=4 9844 B16R1.850 C[C@H](CO)NC(=O)NNc1ccc(cc1)I 273464a_100000737577_100016988836 [0,2,0,0,0,0|2,0,0]=4 9845 B16R1.850 C[C@H](CO)NC(=O)NNc1ccc(cc1)I 512a_100000737577_100016988836 [0,2,0,0,0,0|2,0,0]=4 9846 B16R1.850 Cc1ccc(cc1)C=CC(=O)C[C@@H](C)CO 1458a_100000716854_100000059175 [0,2,0,0,0,0|1,0,0]=3 9847 B16R1.850 Cc1ccc(cc1)C=CC(=O)NC(C)C#N 11a_100000737613_100000716854 [0,2,0,0,0,0|1,0,1]=4 9848 B16R1.850 Cc1ccc(cc1)C=CC(=O)NC(C)C#N 1626a_100000737613_100000716854 [0,2,0,0,0,0|1,0,1]=4 9849 B16R1.850 Cc1ccc(cc1)C=CC(=O)N[C@H](C)CF 11a_100102880703_100000716854 [0,2,0,0,0,0|1,0,0]=3 9850 B16R1.850 Cc1ccc(cc1)C=CC(=O)N[C@H](C)CF 1626a_100102880703_100000716854 [0,2,0,0,0,0|1,0,0]=3 9851 B16R1.850 Cc1ccc(cc1)C=CC(=O)N[C@H](C)CF 240690a_100102880703_100000716854 [0,2,0,0,0,0|1,0,0]=3 9852 B16R1.850 Cc1ccc(cc1)C=CC(=O)N[C@H](C)CO 240690a_100000737577_100000716854 [0,2,0,0,0,0|0,0,0]=2 9853 B16R1.850 Cc1ccc(cc1)CCC(=O)N[C@H](C)CO 240690a_100000737577_100000234883 [0,2,0,0,0,0|0,0,2]=4 9854 B16R1.850 Cc1ccc(cc1)CCC(=O)N[C@H](C)CO 527a_100000737577_100000234883 [0,2,0,0,0,0|0,0,2]=4 9855 B16R1.850 Cc1ccc(cc1)CNC(=O)N[C@H](C)CO 2708a_100000174908_100000737577 [0,2,0,0,0,0|1,0,1]=4 9856 B16R1.850 Cc1ccc(cc1)CNC(=O)N[C@H](C)CO 273464a_100000737577_100000174908 [0,2,0,0,0,0|1,0,1]=4 9857 B16R1.850 Cc1ccc(cc1)CNC(=O)N[C@H](C)CO 512a_100000174908_100000737577 [0,2,0,0,0,0|1,0,1]=4 9858 B16R1.850 Cc1ccc(cc1)CNC(=O)N[C@H](C)CO 512a_100000737577_100000174908 [0,2,0,0,0,0|1,0,1]=4 9859 B16R1.850 Cc1ccc(cc1)NNC(=O)N[C@H](C)CO 273464a_100000737577_100000683527 [0,2,0,0,0,0|2,0,0]=4 9860 B16R1.850 Cc1ccc(cc1)NNC(=O)N[C@H](C)CO 512a_100000737577_100000683527 [0,2,0,0,0,0|2,0,0]=4 9861 B16R1.850 Cc1ccc(cc1)OCC(=O)N[C@H](C)CO 240690a_100000737577_100000182360 [0,2,0,0,0,0|1,0,1]=4 9862 B16R1.850 Cc1ccc(cc1)OCC(=O)N[C@H](C)CO 527a_100000737577_100000182360 [0,2,0,0,0,0|1,0,1]=4 9863 B16R1.850 Cc1ccc(cc1)SCC(=O)N[C@H](C)CO 240690a_100000737577_100000179497 [0,2,0,0,0,0|1,0,1]=4 9864 B16R1.850 Cc1ccc(cc1)SCC(=O)N[C@H](C)CO 527a_100000737577_100000179497 [0,2,0,0,0,0|1,0,1]=4 9865 B16R1.979 C#CCN(C)C(=O)C=Cc1ccc(cc1)Br 11a_100000225692_100016267368 [0,2,0,0,0,0|1,0,1]=4 9866 B16R1.979 C#CCN(C)C(=O)C=Cc1ccc(cc1)Br 1626a_100000225692_100016267368 [0,2,0,0,0,0|1,0,1]=4 9867 B16R1.979 C#CCN(C)C(=O)C=Cc1ccc(cc1)C 11a_100000225692_100000716854 [0,2,0,0,0,0|1,0,1]=4 9868 B16R1.979 C#CCN(C)C(=O)C=Cc1ccc(cc1)C 1626a_100000225692_100000716854 [0,2,0,0,0,0|1,0,1]=4 9869 B16R1.979 C#CCN(C)C(=O)C=Cc1ccc(cc1)Cl 11a_100000225692_100000184863 [0,2,0,0,0,0|1,0,1]=4 9870 B16R1.979 C#CCN(C)C(=O)C=Cc1ccc(cc1)Cl 1626a_100000225692_100000184863 [0,2,0,0,0,0|1,0,1]=4 9871 B16R1.979 C#CCN(C)C(=O)C=Cc1ccc(cc1)F 11a_100000225692_100000182136 [0,2,0,0,0,0|1,0,1]=4 9872 B16R1.979 C#CCN(C)C(=O)C=Cc1ccc(cc1)F 1626a_100000225692_100000182136 [0,2,0,0,0,0|1,0,1]=4 9873 B16R1.979 C#CCN(C)C(=O)C=Cc1ccc(cc1)I 11a_100000225692_100102526154 [0,2,0,0,0,0|1,0,1]=4 9874 B16R1.979 C#CCN(C)C(=O)C=Cc1ccc(cc1)I 1626a_100000225692_100102526154 [0,2,0,0,0,0|1,0,1]=4 9875 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)Br 11a_100000225617_100016267368 [0,2,0,0,0,0|1,0,1]=4 9876 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)Br 1626a_100000225617_100016267368 [0,2,0,0,0,0|1,0,1]=4 9877 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)C 11a_100000225617_100000716854 [0,2,0,0,0,0|1,0,1]=4 9878 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)C 1626a_100000225617_100000716854 [0,2,0,0,0,0|1,0,1]=4 9879 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)C 240690a_100000225617_100000716854 [0,2,0,0,0,0|1,0,1]=4 9880 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)Cl 11a_100000225617_100000184863 [0,2,0,0,0,0|1,0,1]=4 9881 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)Cl 1626a_100000225617_100000184863 [0,2,0,0,0,0|1,0,1]=4 9882 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)Cl 240690a_100000225617_100000184863 [0,2,0,0,0,0|1,0,1]=4 9883 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)F 11a_100000225617_100000182136 [0,2,0,0,0,0|1,0,1]=4 9884 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)F 1626a_100000225617_100000182136 [0,2,0,0,0,0|1,0,1]=4 9885 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)F 240690a_100000225617_100000182136 [0,2,0,0,0,0|1,0,1]=4 9886 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)I 11a_100000225617_100102526154 [0,2,0,0,0,0|1,0,1]=4 9887 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)I 1626a_100000225617_100102526154 [0,2,0,0,0,0|1,0,1]=4 9888 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)I 240690a_100000225617_100102526154 [0,2,0,0,0,0|1,0,1]=4 9889 B16R1.979 C=CCN(C)C(=O)C=Cc1ccc(cc1)O 240690a_100000225617_100016269017 [0,2,0,0,0,0|1,0,1]=4 9890 B16R1.979 CC(CCO)C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100009893172 [0,2,0,0,0,0|1,0,0]=3 9891 B16R1.979 CC(CCO)C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100009893172 [0,2,0,0,0,0|1,0,0]=3 9892 B16R1.979 CC(CCO)C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100009893172 [0,2,0,0,0,0|1,0,0]=3 9893 B16R1.979 CC(CCO)C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100009893172 [0,2,0,0,0,0|1,0,0]=3 9894 B16R1.979 CC(CCO)C(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100009893172 [0,2,0,0,0,0|2,0,0]=4 9895 B16R1.979 CC(CCO)C(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100009893172 [0,2,0,0,0,0|2,0,0]=4 9896 B16R1.979 CCCC(C)C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000766640 [0,2,0,0,0,0|2,0,0]=4 9897 B16R1.979 CCCC(C)C(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000766640 [0,2,0,0,0,0|2,0,0]=4 9898 B16R1.979 CCCC(C)C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000766640 [0,2,0,0,0,0|2,0,0]=4 9899 B16R1.979 CCCC(C)C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000766640 [0,2,0,0,0,0|2,0,0]=4 9900 B16R1.979 CCCC(C)C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000766640 [0,2,0,0,0,0|2,0,0]=4 9901 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cc1)Br 11a_100000747261_100016267368 [0,2,0,0,0,0|1,0,0]=3 9902 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cc1)Br 1626a_100000747261_100016267368 [0,2,0,0,0,0|1,0,0]=3 9903 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cc1)C 11a_100000747261_100000716854 [0,2,0,0,0,0|1,0,0]=3 9904 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cc1)C 1626a_100000747261_100000716854 [0,2,0,0,0,0|1,0,0]=3 9905 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cc1)C 240690a_100000747261_100000716854 [0,2,0,0,0,0|1,0,0]=3 9906 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cc1)Cl 11a_100000747261_100000184863 [0,2,0,0,0,0|1,0,0]=3 9907 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cc1)Cl 1626a_100000747261_100000184863 [0,2,0,0,0,0|1,0,0]=3 9908 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cc1)Cl 240690a_100000747261_100000184863 [0,2,0,0,0,0|1,0,0]=3 9909 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cc1)F 11a_100000747261_100000182136 [0,2,0,0,0,0|1,0,0]=3 9910 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cc1)F 1626a_100000747261_100000182136 [0,2,0,0,0,0|1,0,0]=3 9911 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cc1)F 240690a_100000747261_100000182136 [0,2,0,0,0,0|1,0,0]=3 9912 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cc1)I 11a_100000747261_100102526154 [0,2,0,0,0,0|1,0,0]=3 9913 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cc1)I 1626a_100000747261_100102526154 [0,2,0,0,0,0|1,0,0]=3 9914 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cc1)I 240690a_100000747261_100102526154 [0,2,0,0,0,0|1,0,0]=3 9915 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cc1)O 240690a_100000747261_100016269017 [0,2,0,0,0,0|1,0,0]=3 9916 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cn1)F 11a_100000747261_100020630499 [0,2,0,0,0,0|2,0,0]=4 9917 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cn1)F 1626a_100000747261_100020630499 [0,2,0,0,0,0|2,0,0]=4 9918 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(cn1)F 240690a_100000747261_100020630499 [0,2,0,0,0,0|2,0,0]=4 9919 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(nc1)Br 11a_100000747261_100020588214 [0,2,0,0,0,0|2,0,0]=4 9920 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(nc1)Br 1626a_100000747261_100020588214 [0,2,0,0,0,0|2,0,0]=4 9921 B16R1.979 CCCN(C)C(=O)C=Cc1ccc(nc1)Br 240690a_100000747261_100020588214 [0,2,0,0,0,0|2,0,0]=4 9922 B16R1.979 CN(CC#N)C(=O)C=Cc1ccc(cc1)Br 11a_100000748184_100016267368 [0,2,0,0,0,0|1,0,1]=4 9923 B16R1.979 CN(CC#N)C(=O)C=Cc1ccc(cc1)Br 1626a_100000748184_100016267368 [0,2,0,0,0,0|1,0,1]=4 9924 B16R1.979 CN(CC#N)C(=O)C=Cc1ccc(cc1)Cl 11a_100000748184_100000184863 [0,2,0,0,0,0|1,0,1]=4 9925 B16R1.979 CN(CC#N)C(=O)C=Cc1ccc(cc1)Cl 1626a_100000748184_100000184863 [0,2,0,0,0,0|1,0,1]=4 9926 B16R1.979 CN(CC#N)C(=O)C=Cc1ccc(cc1)F 11a_100000748184_100000182136 [0,2,0,0,0,0|1,0,1]=4 9927 B16R1.979 CN(CC#N)C(=O)C=Cc1ccc(cc1)F 1626a_100000748184_100000182136 [0,2,0,0,0,0|1,0,1]=4 9928 B16R1.979 CN(CC#N)C(=O)C=Cc1ccc(cc1)I 11a_100000748184_100102526154 [0,2,0,0,0,0|1,0,1]=4 9929 B16R1.979 CN(CC#N)C(=O)C=Cc1ccc(cc1)I 1626a_100000748184_100102526154 [0,2,0,0,0,0|1,0,1]=4 9930 B16R1.979 CN(CCO)C(=O)C#Cc1ccc(cc1)Cl 240690a_100000210263_100011892723 [0,2,0,0,0,0|0,0,2]=4 9931 B16R1.979 CN(CCO)C(=O)C#Cc1ccc(cc1)F 240690a_100000210263_100000238512 [0,2,0,0,0,0|0,0,2]=4 9932 B16R1.979 CN(CCO)C(=O)C=Cc1ccc(cc1)Cl 240690a_100000210263_100000184863 [0,2,0,0,0,0|0,0,0]=2 9933 B16R1.979 CN(CCO)C(=O)C=Cc1ccc(cc1)F 240690a_100000210263_100000182136 [0,2,0,0,0,0|0,0,0]=2 9934 B16R1.979 CN(CCO)C(=O)C=Cc1ccc(cc1)I 240690a_100000210263_100102526154 [0,2,0,0,0,0|0,0,0]=2 9935 B16R1.979 CN(CCO)C(=O)C=Cc1ccc(cc1)O 240690a_100000210263_100016269017 [0,2,0,0,0,0|0,0,0]=2 9936 B16R1.979 CN(CCO)C(=O)C=Cc1ccc(cn1)F 240690a_100000210263_100020630499 [0,2,0,0,0,0|1,0,0]=3 9937 B16R1.979 CN(CCO)C(=O)C=Cc1ccc(nc1)Br 240690a_100000210263_100020588214 [0,2,0,0,0,0|1,0,0]=3 9938 B16R1.979 CN(CCO)C(=O)CCc1ccc(cc1)Br 240690a_100000210263_100000217147 [0,2,0,0,0,0|0,0,2]=4 9939 B16R1.979 CN(CCO)C(=O)CCc1ccc(cc1)Br 527a_100000210263_100000217147 [0,2,0,0,0,0|0,0,2]=4 9940 B16R1.979 CN(CCO)C(=O)CCc1ccc(cc1)Cl 240690a_100000210263_100000235379 [0,2,0,0,0,0|0,0,2]=4 9941 B16R1.979 CN(CCO)C(=O)CCc1ccc(cc1)Cl 527a_100000210263_100000235379 [0,2,0,0,0,0|0,0,2]=4 9942 B16R1.979 CN(CCO)C(=O)CCc1ccc(cc1)F 240690a_100000210263_100000198493 [0,2,0,0,0,0|0,0,2]=4 9943 B16R1.979 CN(CCO)C(=O)CCc1ccc(cc1)F 527a_100000210263_100000198493 [0,2,0,0,0,0|0,0,2]=4 9944 B16R1.979 CN(CCO)C(=O)CCc1ccc(cc1)I 240690a_100000210263_100011217499 [0,2,0,0,0,0|0,0,2]=4 9945 B16R1.979 CN(CCO)C(=O)CCc1ccc(cc1)I 527a_100000210263_100011217499 [0,2,0,0,0,0|0,0,2]=4 9946 B16R1.979 CN(CCO)C(=O)CCc1ccc(cc1)O 240690a_100000210263_100000742835 [0,2,0,0,0,0|0,0,2]=4 9947 B16R1.979 CN(CCO)C(=O)COc1ccc(cc1)Br 240690a_100000210263_100000182358 [0,2,0,0,0,0|1,0,1]=4 9948 B16R1.979 CN(CCO)C(=O)COc1ccc(cc1)Br 527a_100000210263_100000182358 [0,2,0,0,0,0|1,0,1]=4 9949 B16R1.979 CN(CCO)C(=O)COc1ccc(cc1)Cl 240690a_100000210263_100016990877 [0,2,0,0,0,0|1,0,1]=4 9950 B16R1.979 CN(CCO)C(=O)COc1ccc(cc1)Cl 527a_100000210263_100016990877 [0,2,0,0,0,0|1,0,1]=4 9951 B16R1.979 CN(CCO)C(=O)COc1ccc(cc1)F 240690a_100000210263_100000184765 [0,2,0,0,0,0|1,0,1]=4 9952 B16R1.979 CN(CCO)C(=O)COc1ccc(cc1)F 527a_100000210263_100000184765 [0,2,0,0,0,0|1,0,1]=4 9953 B16R1.979 CN(CCO)C(=O)COc1ccc(cc1)I 240690a_100000210263_100000184369 [0,2,0,0,0,0|1,0,1]=4 9954 B16R1.979 CN(CCO)C(=O)COc1ccc(cc1)I 527a_100000210263_100000184369 [0,2,0,0,0,0|1,0,1]=4 9955 B16R1.979 CN(CCO)C(=O)COc1ccc(cc1)O 240690a_100000210263_100000031633 [0,2,0,0,0,0|1,0,1]=4 9956 B16R1.979 CN(CCO)C(=O)COc1ccc(cc1)O 527a_100000210263_100000031633 [0,2,0,0,0,0|1,0,1]=4 9957 B16R1.979 CN(CCO)C(=O)CSc1ccc(cc1)Br 240690a_100000210263_100000179496 [0,2,0,0,0,0|1,0,1]=4 9958 B16R1.979 CN(CCO)C(=O)CSc1ccc(cc1)Br 527a_100000210263_100000179496 [0,2,0,0,0,0|1,0,1]=4 9959 B16R1.979 CN(CCO)C(=O)CSc1ccc(cc1)Cl 240690a_100000210263_100000178402 [0,2,0,0,0,0|1,0,1]=4 9960 B16R1.979 CN(CCO)C(=O)CSc1ccc(cc1)Cl 527a_100000210263_100000178402 [0,2,0,0,0,0|1,0,1]=4 9961 B16R1.979 CN(CCO)C(=O)CSc1ccc(cc1)F 240690a_100000210263_100000691584 [0,2,0,0,0,0|1,0,1]=4 9962 B16R1.979 CN(CCO)C(=O)CSc1ccc(cc1)F 527a_100000210263_100000691584 [0,2,0,0,0,0|1,0,1]=4 9963 B16R1.979 CN(CCO)C(=O)NCc1ccc(cc1)Br 2708a_100000174875_100000210263 [0,2,0,0,0,0|1,0,1]=4 9964 B16R1.979 CN(CCO)C(=O)NCc1ccc(cc1)Br 273464a_100000174875_100000210263 [0,2,0,0,0,0|1,0,1]=4 9965 B16R1.979 CN(CCO)C(=O)NCc1ccc(cc1)Cl 2708a_100000174871_100000210263 [0,2,0,0,0,0|1,0,1]=4 9966 B16R1.979 CN(CCO)C(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100000210263 [0,2,0,0,0,0|1,0,1]=4 9967 B16R1.979 CN(CCO)C(=O)NCc1ccc(cc1)F 2708a_100000174882_100000210263 [0,2,0,0,0,0|1,0,1]=4 9968 B16R1.979 CN(CCO)C(=O)NCc1ccc(cc1)F 273464a_100000174882_100000210263 [0,2,0,0,0,0|1,0,1]=4 9969 B16R1.979 CN(CCO)C(=O)NCc1ccc(cc1)I 2708a_100016989417_100000210263 [0,2,0,0,0,0|1,0,1]=4 9970 B16R1.979 CN(CCO)C(=O)NCc1ccc(cc1)I 273464a_100016989417_100000210263 [0,2,0,0,0,0|1,0,1]=4 9971 B16R1.979 CN(CCO)C(=O)NCc1ccc(cc1)O 2708a_100000185549_100000210263 [0,2,0,0,0,0|1,0,1]=4 9972 B16R1.979 CN(CCO)C(=O)NCc1ccc(cc1)O 273464a_100000185549_100000210263 [0,2,0,0,0,0|1,0,1]=4 9973 B16R1.979 Cc1ccc(cc1)C=CC(=O)C(C)CCO 1458a_100000716854_100009893172 [0,2,0,0,0,0|1,0,0]=3 9974 B16R1.979 Cc1ccc(cc1)C=CC(=O)N(C)CC#N 11a_100000748184_100000716854 [0,2,0,0,0,0|1,0,1]=4 9975 B16R1.979 Cc1ccc(cc1)C=CC(=O)N(C)CC#N 1626a_100000748184_100000716854 [0,2,0,0,0,0|1,0,1]=4 9976 B16R1.979 Cc1ccc(cc1)C=CC(=O)N(C)CCO 240690a_100000210263_100000716854 [0,2,0,0,0,0|0,0,0]=2 9977 B16R1.979 Cc1ccc(cc1)CCC(=O)N(C)CCO 240690a_100000210263_100000234883 [0,2,0,0,0,0|0,0,2]=4 9978 B16R1.979 Cc1ccc(cc1)CCC(=O)N(C)CCO 527a_100000210263_100000234883 [0,2,0,0,0,0|0,0,2]=4 9979 B16R1.979 Cc1ccc(cc1)CNC(=O)N(C)CCO 2708a_100000174908_100000210263 [0,2,0,0,0,0|1,0,1]=4 9980 B16R1.979 Cc1ccc(cc1)CNC(=O)N(C)CCO 273464a_100000174908_100000210263 [0,2,0,0,0,0|1,0,1]=4 9981 B16R1.979 Cc1ccc(cc1)OCC(=O)N(C)CCO 240690a_100000210263_100000182360 [0,2,0,0,0,0|1,0,1]=4 9982 B16R1.979 Cc1ccc(cc1)OCC(=O)N(C)CCO 527a_100000210263_100000182360 [0,2,0,0,0,0|1,0,1]=4 9983 B16R1.979 Cc1ccc(cc1)SCC(=O)N(C)CCO 240690a_100000210263_100000179497 [0,2,0,0,0,0|1,0,1]=4 9984 B16R1.979 Cc1ccc(cc1)SCC(=O)N(C)CCO 527a_100000210263_100000179497 [0,2,0,0,0,0|1,0,1]=4 9985 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Br 11a_100000765925_100016267368 [0,2,0,0,0,0|1,0,1]=4 9986 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Br 1626a_100000765925_100016267368 [0,2,0,0,0,0|1,0,1]=4 9987 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)C 11a_100000765925_100000716854 [0,2,0,0,0,0|1,0,1]=4 9988 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)C 1626a_100000765925_100000716854 [0,2,0,0,0,0|1,0,1]=4 9989 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)C 240690a_100000765925_100000716854 [0,2,0,0,0,0|1,0,1]=4 9990 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100000765925_100000184863 [0,2,0,0,0,0|1,0,1]=4 9991 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000765925_100000184863 [0,2,0,0,0,0|1,0,1]=4 9992 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000765925_100000184863 [0,2,0,0,0,0|1,0,1]=4 9993 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)F 11a_100000765925_100000182136 [0,2,0,0,0,0|1,0,1]=4 9994 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)F 1626a_100000765925_100000182136 [0,2,0,0,0,0|1,0,1]=4 9995 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000765925_100000182136 [0,2,0,0,0,0|1,0,1]=4 9996 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)I 11a_100000765925_100102526154 [0,2,0,0,0,0|1,0,1]=4 9997 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)I 1626a_100000765925_100102526154 [0,2,0,0,0,0|1,0,1]=4 9998 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000765925_100102526154 [0,2,0,0,0,0|1,0,1]=4 9999 B16R1.1061 C=C(C)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000765925_100016269017 [0,2,0,0,0,0|1,0,1]=4 10000 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210312 [0,2,0,0,0,0|2,0,0]=4 10001 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000210476 [0,2,0,0,0,0|2,0,0]=4 10002 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210312 [0,2,0,0,0,0|2,0,0]=4 10003 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210312 [0,2,0,0,0,0|2,0,0]=4 10004 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000210476 [0,2,0,0,0,0|2,0,0]=4 10005 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210312 [0,2,0,0,0,0|2,0,0]=4 10006 B16R1.1061 CC(C)CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000210476 [0,2,0,0,0,0|2,0,0]=4 10007 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Br 11a_100000210953_100016267368 [0,2,0,0,0,0|1,0,0]=3 10008 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Br 1626a_100000210953_100016267368 [0,2,0,0,0,0|1,0,0]=3 10009 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100000210953_100000184863 [0,2,0,0,0,0|1,0,0]=3 10010 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl 1626a_100000210953_100000184863 [0,2,0,0,0,0|1,0,0]=3 10011 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000210953_100000184863 [0,2,0,0,0,0|1,0,0]=3 10012 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F 11a_100000210953_100000182136 [0,2,0,0,0,0|1,0,0]=3 10013 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F 1626a_100000210953_100000182136 [0,2,0,0,0,0|1,0,0]=3 10014 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000210953_100000182136 [0,2,0,0,0,0|1,0,0]=3 10015 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)I 11a_100000210953_100102526154 [0,2,0,0,0,0|1,0,0]=3 10016 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)I 1626a_100000210953_100102526154 [0,2,0,0,0,0|1,0,0]=3 10017 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000210953_100102526154 [0,2,0,0,0,0|1,0,0]=3 10018 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000210953_100016269017 [0,2,0,0,0,0|1,0,0]=3 10019 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cn1)F 11a_100000210953_100020630499 [0,2,0,0,0,0|2,0,0]=4 10020 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cn1)F 1626a_100000210953_100020630499 [0,2,0,0,0,0|2,0,0]=4 10021 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(cn1)F 240690a_100000210953_100020630499 [0,2,0,0,0,0|2,0,0]=4 10022 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(nc1)Br 11a_100000210953_100020588214 [0,2,0,0,0,0|2,0,0]=4 10023 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(nc1)Br 1626a_100000210953_100020588214 [0,2,0,0,0,0|2,0,0]=4 10024 B16R1.1061 CC(C)CNC(=O)C=Cc1ccc(nc1)Br 240690a_100000210953_100020588214 [0,2,0,0,0,0|2,0,0]=4 10025 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cc1)Br 22a_100000741168_100016267368 [0,2,0,0,0,0|2,0,0]=4 10026 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cc1)Cl 22a_100000741168_100000184863 [0,2,0,0,0,0|2,0,0]=4 10027 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cc1)F 22a_100000741168_100000182136 [0,2,0,0,0,0|2,0,0]=4 10028 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cc1)I 22a_100000741168_100102526154 [0,2,0,0,0,0|2,0,0]=4 10029 B16R1.1061 CC(C)NNC(=O)C=Cc1ccc(cc1)O 22a_100000741168_100016269017 [0,2,0,0,0,0|2,0,0]=4 10030 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100012276601 [0,2,0,0,0,0|1,0,0]=3 10031 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100012276601 [0,2,0,0,0,0|1,0,0]=3 10032 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100012276601 [0,2,0,0,0,0|1,0,0]=3 10033 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100012276601 [0,2,0,0,0,0|1,0,0]=3 10034 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100012276601 [0,2,0,0,0,0|2,0,0]=4 10035 B16R1.1061 CC(O)CCC(=O)C=Cc1ccc(nc1)Br 1458a_100020588214_100012276601 [0,2,0,0,0,0|2,0,0]=4 10036 B16R1.1061 CC(O)CNC(=O)C#Cc1ccc(cc1)Cl 240690a_100000210904_100011892723 [0,2,0,0,0,0|0,0,2]=4 10037 B16R1.1061 CC(O)CNC(=O)C#Cc1ccc(cc1)F 240690a_100000210904_100000238512 [0,2,0,0,0,0|0,0,2]=4 10038 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Br 11a_100000210904_100016267368 [0,2,0,0,0,0|0,0,0]=2 10039 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100000210904_100000184863 [0,2,0,0,0,0|0,0,0]=2 10040 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000210904_100000184863 [0,2,0,0,0,0|0,0,0]=2 10041 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)F 11a_100000210904_100000182136 [0,2,0,0,0,0|0,0,0]=2 10042 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000210904_100000182136 [0,2,0,0,0,0|0,0,0]=2 10043 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)I 11a_100000210904_100102526154 [0,2,0,0,0,0|0,0,0]=2 10044 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000210904_100102526154 [0,2,0,0,0,0|0,0,0]=2 10045 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000210904_100016269017 [0,2,0,0,0,0|0,0,0]=2 10046 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cn1)F 11a_100000210904_100020630499 [0,2,0,0,0,0|1,0,0]=3 10047 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(cn1)F 240690a_100000210904_100020630499 [0,2,0,0,0,0|1,0,0]=3 10048 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(nc1)Br 11a_100000210904_100020588214 [0,2,0,0,0,0|1,0,0]=3 10049 B16R1.1061 CC(O)CNC(=O)C=Cc1ccc(nc1)Br 240690a_100000210904_100020588214 [0,2,0,0,0,0|1,0,0]=3 10050 B16R1.1061 CC(O)CNC(=O)CCc1ccc(cc1)Br 11a_100000210904_100000217147 [0,2,0,0,0,0|0,0,2]=4 10051 B16R1.1061 CC(O)CNC(=O)CCc1ccc(cc1)Br 240690a_100000210904_100000217147 [0,2,0,0,0,0|0,0,2]=4 10052 B16R1.1061 CC(O)CNC(=O)CCc1ccc(cc1)Br 527a_100000210904_100000217147 [0,2,0,0,0,0|0,0,2]=4 10053 B16R1.1061 CC(O)CNC(=O)CCc1ccc(cc1)Cl 11a_100000210904_100000235379 [0,2,0,0,0,0|0,0,2]=4 10054 B16R1.1061 CC(O)CNC(=O)CCc1ccc(cc1)Cl 240690a_100000210904_100000235379 [0,2,0,0,0,0|0,0,2]=4 10055 B16R1.1061 CC(O)CNC(=O)CCc1ccc(cc1)Cl 527a_100000210904_100000235379 [0,2,0,0,0,0|0,0,2]=4 10056 B16R1.1061 CC(O)CNC(=O)CCc1ccc(cc1)F 11a_100000210904_100000198493 [0,2,0,0,0,0|0,0,2]=4 10057 B16R1.1061 CC(O)CNC(=O)CCc1ccc(cc1)F 240690a_100000210904_100000198493 [0,2,0,0,0,0|0,0,2]=4 10058 B16R1.1061 CC(O)CNC(=O)CCc1ccc(cc1)F 527a_100000210904_100000198493 [0,2,0,0,0,0|0,0,2]=4 10059 B16R1.1061 CC(O)CNC(=O)CCc1ccc(cc1)I 11a_100000210904_100011217499 [0,2,0,0,0,0|0,0,2]=4 10060 B16R1.1061 CC(O)CNC(=O)CCc1ccc(cc1)I 240690a_100000210904_100011217499 [0,2,0,0,0,0|0,0,2]=4 10061 B16R1.1061 CC(O)CNC(=O)CCc1ccc(cc1)I 527a_100000210904_100011217499 [0,2,0,0,0,0|0,0,2]=4 10062 B16R1.1061 CC(O)CNC(=O)CCc1ccc(cc1)O 240690a_100000210904_100000742835 [0,2,0,0,0,0|0,0,2]=4 10063 B16R1.1061 CC(O)CNC(=O)COc1ccc(cc1)Br 11a_100000210904_100000182358 [0,2,0,0,0,0|1,0,1]=4 10064 B16R1.1061 CC(O)CNC(=O)COc1ccc(cc1)Br 240690a_100000210904_100000182358 [0,2,0,0,0,0|1,0,1]=4 10065 B16R1.1061 CC(O)CNC(=O)COc1ccc(cc1)Br 527a_100000210904_100000182358 [0,2,0,0,0,0|1,0,1]=4 10066 B16R1.1061 CC(O)CNC(=O)COc1ccc(cc1)Cl 11a_100000210904_100016990877 [0,2,0,0,0,0|1,0,1]=4 10067 B16R1.1061 CC(O)CNC(=O)COc1ccc(cc1)Cl 240690a_100000210904_100016990877 [0,2,0,0,0,0|1,0,1]=4 10068 B16R1.1061 CC(O)CNC(=O)COc1ccc(cc1)Cl 527a_100000210904_100016990877 [0,2,0,0,0,0|1,0,1]=4 10069 B16R1.1061 CC(O)CNC(=O)COc1ccc(cc1)F 11a_100000210904_100000184765 [0,2,0,0,0,0|1,0,1]=4 10070 B16R1.1061 CC(O)CNC(=O)COc1ccc(cc1)F 240690a_100000210904_100000184765 [0,2,0,0,0,0|1,0,1]=4 10071 B16R1.1061 CC(O)CNC(=O)COc1ccc(cc1)F 527a_100000210904_100000184765 [0,2,0,0,0,0|1,0,1]=4 10072 B16R1.1061 CC(O)CNC(=O)COc1ccc(cc1)I 11a_100000210904_100000184369 [0,2,0,0,0,0|1,0,1]=4 10073 B16R1.1061 CC(O)CNC(=O)COc1ccc(cc1)I 240690a_100000210904_100000184369 [0,2,0,0,0,0|1,0,1]=4 10074 B16R1.1061 CC(O)CNC(=O)COc1ccc(cc1)I 527a_100000210904_100000184369 [0,2,0,0,0,0|1,0,1]=4 10075 B16R1.1061 CC(O)CNC(=O)COc1ccc(cc1)O 240690a_100000210904_100000031633 [0,2,0,0,0,0|1,0,1]=4 10076 B16R1.1061 CC(O)CNC(=O)COc1ccc(cc1)O 527a_100000210904_100000031633 [0,2,0,0,0,0|1,0,1]=4 10077 B16R1.1061 CC(O)CNC(=O)CSc1ccc(cc1)Br 11a_100000210904_100000179496 [0,2,0,0,0,0|1,0,1]=4 10078 B16R1.1061 CC(O)CNC(=O)CSc1ccc(cc1)Br 240690a_100000210904_100000179496 [0,2,0,0,0,0|1,0,1]=4 10079 B16R1.1061 CC(O)CNC(=O)CSc1ccc(cc1)Br 527a_100000210904_100000179496 [0,2,0,0,0,0|1,0,1]=4 10080 B16R1.1061 CC(O)CNC(=O)CSc1ccc(cc1)Cl 11a_100000210904_100000178402 [0,2,0,0,0,0|1,0,1]=4 10081 B16R1.1061 CC(O)CNC(=O)CSc1ccc(cc1)Cl 240690a_100000210904_100000178402 [0,2,0,0,0,0|1,0,1]=4 10082 B16R1.1061 CC(O)CNC(=O)CSc1ccc(cc1)Cl 527a_100000210904_100000178402 [0,2,0,0,0,0|1,0,1]=4 10083 B16R1.1061 CC(O)CNC(=O)CSc1ccc(cc1)F 11a_100000210904_100000691584 [0,2,0,0,0,0|1,0,1]=4 10084 B16R1.1061 CC(O)CNC(=O)CSc1ccc(cc1)F 240690a_100000210904_100000691584 [0,2,0,0,0,0|1,0,1]=4 10085 B16R1.1061 CC(O)CNC(=O)CSc1ccc(cc1)F 527a_100000210904_100000691584 [0,2,0,0,0,0|1,0,1]=4 10086 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_100000210904 [0,2,0,0,0,0|1,0,1]=4 10087 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100000210904 [0,2,0,0,0,0|1,0,1]=4 10088 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)Br 273464a_100000210904_100000174875 [0,2,0,0,0,0|1,0,1]=4 10089 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)Br 512a_100000174875_100000210904 [0,2,0,0,0,0|1,0,1]=4 10090 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)Br 512a_100000210904_100000174875 [0,2,0,0,0,0|1,0,1]=4 10091 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_100000210904 [0,2,0,0,0,0|1,0,1]=4 10092 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100000210904 [0,2,0,0,0,0|1,0,1]=4 10093 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)Cl 273464a_100000210904_100000174871 [0,2,0,0,0,0|1,0,1]=4 10094 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)Cl 512a_100000210904_100000174871 [0,2,0,0,0,0|1,0,1]=4 10095 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)F 2708a_100000174882_100000210904 [0,2,0,0,0,0|1,0,1]=4 10096 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)F 273464a_100000174882_100000210904 [0,2,0,0,0,0|1,0,1]=4 10097 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)F 273464a_100000210904_100000174882 [0,2,0,0,0,0|1,0,1]=4 10098 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)F 512a_100000174882_100000210904 [0,2,0,0,0,0|1,0,1]=4 10099 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)F 512a_100000210904_100000174882 [0,2,0,0,0,0|1,0,1]=4 10100 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)I 2708a_100016989417_100000210904 [0,2,0,0,0,0|1,0,1]=4 10101 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)I 273464a_100000210904_100016989417 [0,2,0,0,0,0|1,0,1]=4 10102 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100000210904 [0,2,0,0,0,0|1,0,1]=4 10103 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)I 512a_100000210904_100016989417 [0,2,0,0,0,0|1,0,1]=4 10104 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)I 512a_100016989417_100000210904 [0,2,0,0,0,0|1,0,1]=4 10105 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)O 2708a_100000185549_100000210904 [0,2,0,0,0,0|1,0,1]=4 10106 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100000210904 [0,2,0,0,0,0|1,0,1]=4 10107 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)O 273464a_100000210904_100000185549 [0,2,0,0,0,0|1,0,1]=4 10108 B16R1.1061 CC(O)CNC(=O)NCc1ccc(cc1)O 512a_100000210904_100000185549 [0,2,0,0,0,0|1,0,1]=4 10109 B16R1.1061 CC(O)CNC(=O)NNc1ccc(cc1)Br 273464a_100000210904_100000735608 [0,2,0,0,0,0|2,0,0]=4 10110 B16R1.1061 CC(O)CNC(=O)NNc1ccc(cc1)Br 512a_100000210904_100000735608 [0,2,0,0,0,0|2,0,0]=4 10111 B16R1.1061 CC(O)CNC(=O)NNc1ccc(cc1)Cl 273464a_100000210904_100000683521 [0,2,0,0,0,0|2,0,0]=4 10112 B16R1.1061 CC(O)CNC(=O)NNc1ccc(cc1)Cl 512a_100000210904_100000683521 [0,2,0,0,0,0|2,0,0]=4 10113 B16R1.1061 CC(O)CNC(=O)NNc1ccc(cc1)F 273464a_100000210904_100000728448 [0,2,0,0,0,0|2,0,0]=4 10114 B16R1.1061 CC(O)CNC(=O)NNc1ccc(cc1)F 512a_100000210904_100000728448 [0,2,0,0,0,0|2,0,0]=4 10115 B16R1.1061 CC(O)CNC(=O)NNc1ccc(cc1)I 273464a_100000210904_100016988836 [0,2,0,0,0,0|2,0,0]=4 10116 B16R1.1061 CC(O)CNC(=O)NNc1ccc(cc1)I 512a_100000210904_100016988836 [0,2,0,0,0,0|2,0,0]=4 10117 B16R1.1061 Cc1ccc(cc1)C=CC(=O)CCC(C)C 1458a_100000716854_100000210312 [0,2,0,0,0,0|2,0,0]=4 10118 B16R1.1061 Cc1ccc(cc1)C=CC(=O)CCC(C)O 1458a_100000716854_100012276601 [0,2,0,0,0,0|1,0,0]=3 10119 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(=O)N 11a_100000711301_100000716854 [0,2,0,0,0,0|0,0,2]=4 10120 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(=O)N 240690a_100000711301_100000716854 [0,2,0,0,0,0|0,0,2]=4 10121 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C 11a_100000210953_100000716854 [0,2,0,0,0,0|1,0,0]=3 10122 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C 1626a_100000210953_100000716854 [0,2,0,0,0,0|1,0,0]=3 10123 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)C 240690a_100000210953_100000716854 [0,2,0,0,0,0|1,0,0]=3 10124 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)O 11a_100000210904_100000716854 [0,2,0,0,0,0|0,0,0]=2 10125 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(C)O 240690a_100000210904_100000716854 [0,2,0,0,0,0|0,0,0]=2 10126 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(F)F 11a_100000765723_100000716854 [0,2,0,0,0,0|1,0,0]=3 10127 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(F)F 1626a_100000765723_100000716854 [0,2,0,0,0,0|1,0,0]=3 10128 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NCC(F)F 240690a_100000765723_100000716854 [0,2,0,0,0,0|1,0,0]=3 10129 B16R1.1061 Cc1ccc(cc1)C=CC(=O)NNC(C)C 22a_100000741168_100000716854 [0,2,0,0,0,0|2,0,0]=4 10130 B16R1.1061 Cc1ccc(cc1)CCC(=O)NCC(C)O 11a_100000210904_100000234883 [0,2,0,0,0,0|0,0,2]=4 10131 B16R1.1061 Cc1ccc(cc1)CCC(=O)NCC(C)O 240690a_100000210904_100000234883 [0,2,0,0,0,0|0,0,2]=4 10132 B16R1.1061 Cc1ccc(cc1)CCC(=O)NCC(C)O 527a_100000210904_100000234883 [0,2,0,0,0,0|0,0,2]=4 10133 B16R1.1061 Cc1ccc(cc1)CNC(=O)NCC(C)O 2708a_100000174908_100000210904 [0,2,0,0,0,0|1,0,1]=4 10134 B16R1.1061 Cc1ccc(cc1)CNC(=O)NCC(C)O 273464a_100000174908_100000210904 [0,2,0,0,0,0|1,0,1]=4 10135 B16R1.1061 Cc1ccc(cc1)CNC(=O)NCC(C)O 273464a_100000210904_100000174908 [0,2,0,0,0,0|1,0,1]=4 10136 B16R1.1061 Cc1ccc(cc1)CNC(=O)NCC(C)O 512a_100000174908_100000210904 [0,2,0,0,0,0|1,0,1]=4 10137 B16R1.1061 Cc1ccc(cc1)CNC(=O)NCC(C)O 512a_100000210904_100000174908 [0,2,0,0,0,0|1,0,1]=4 10138 B16R1.1061 Cc1ccc(cc1)NNC(=O)NCC(C)O 273464a_100000210904_100000683527 [0,2,0,0,0,0|2,0,0]=4 10139 B16R1.1061 Cc1ccc(cc1)NNC(=O)NCC(C)O 512a_100000210904_100000683527 [0,2,0,0,0,0|2,0,0]=4 10140 B16R1.1061 Cc1ccc(cc1)OCC(=O)NCC(C)O 11a_100000210904_100000182360 [0,2,0,0,0,0|1,0,1]=4 10141 B16R1.1061 Cc1ccc(cc1)OCC(=O)NCC(C)O 240690a_100000210904_100000182360 [0,2,0,0,0,0|1,0,1]=4 10142 B16R1.1061 Cc1ccc(cc1)OCC(=O)NCC(C)O 527a_100000210904_100000182360 [0,2,0,0,0,0|1,0,1]=4 10143 B16R1.1061 Cc1ccc(cc1)SCC(=O)NCC(C)O 11a_100000210904_100000179497 [0,2,0,0,0,0|1,0,1]=4 10144 B16R1.1061 Cc1ccc(cc1)SCC(=O)NCC(C)O 240690a_100000210904_100000179497 [0,2,0,0,0,0|1,0,1]=4 10145 B16R1.1061 Cc1ccc(cc1)SCC(=O)NCC(C)O 527a_100000210904_100000179497 [0,2,0,0,0,0|1,0,1]=4 10146 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)Br 11a_100000711301_100016267368 [0,2,0,0,0,0|0,0,2]=4 10147 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)Cl 11a_100000711301_100000184863 [0,2,0,0,0,0|0,0,2]=4 10148 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)Cl 240690a_100000711301_100000184863 [0,2,0,0,0,0|0,0,2]=4 10149 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)F 11a_100000711301_100000182136 [0,2,0,0,0,0|0,0,2]=4 10150 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)F 240690a_100000711301_100000182136 [0,2,0,0,0,0|0,0,2]=4 10151 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)I 11a_100000711301_100102526154 [0,2,0,0,0,0|0,0,2]=4 10152 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)I 240690a_100000711301_100102526154 [0,2,0,0,0,0|0,0,2]=4 10153 B16R1.1061 NC(=O)CNC(=O)C=Cc1ccc(cc1)O 240690a_100000711301_100016269017 [0,2,0,0,0,0|0,0,2]=4 10154 B16R1.1061 O=C(C=Cc1ccc(cc1)Br)NCC(F)F 11a_100000765723_100016267368 [0,2,0,0,0,0|1,0,0]=3 10155 B16R1.1061 O=C(C=Cc1ccc(cc1)Br)NCC(F)F 1626a_100000765723_100016267368 [0,2,0,0,0,0|1,0,0]=3 10156 B16R1.1061 O=C(C=Cc1ccc(cc1)Cl)NCC(F)F 11a_100000765723_100000184863 [0,2,0,0,0,0|1,0,0]=3 10157 B16R1.1061 O=C(C=Cc1ccc(cc1)Cl)NCC(F)F 1626a_100000765723_100000184863 [0,2,0,0,0,0|1,0,0]=3 10158 B16R1.1061 O=C(C=Cc1ccc(cc1)Cl)NCC(F)F 240690a_100000765723_100000184863 [0,2,0,0,0,0|1,0,0]=3 10159 B16R1.1061 O=C(C=Cc1ccc(cc1)F)NCC(F)F 11a_100000765723_100000182136 [0,2,0,0,0,0|1,0,0]=3 10160 B16R1.1061 O=C(C=Cc1ccc(cc1)F)NCC(F)F 1626a_100000765723_100000182136 [0,2,0,0,0,0|1,0,0]=3 10161 B16R1.1061 O=C(C=Cc1ccc(cc1)F)NCC(F)F 240690a_100000765723_100000182136 [0,2,0,0,0,0|1,0,0]=3 10162 B16R1.1061 O=C(C=Cc1ccc(cc1)I)NCC(F)F 11a_100000765723_100102526154 [0,2,0,0,0,0|1,0,0]=3 10163 B16R1.1061 O=C(C=Cc1ccc(cc1)I)NCC(F)F 1626a_100000765723_100102526154 [0,2,0,0,0,0|1,0,0]=3 10164 B16R1.1061 O=C(C=Cc1ccc(cc1)I)NCC(F)F 240690a_100000765723_100102526154 [0,2,0,0,0,0|1,0,0]=3 10165 B16R1.1061 O=C(C=Cc1ccc(cc1)O)NCC(F)F 240690a_100000765723_100016269017 [0,2,0,0,0,0|1,0,0]=3 10166 B16R1.1061 O=C(C=Cc1ccc(cn1)F)NCC(F)F 11a_100000765723_100020630499 [0,2,0,0,0,0|2,0,0]=4 10167 B16R1.1061 O=C(C=Cc1ccc(cn1)F)NCC(F)F 1626a_100000765723_100020630499 [0,2,0,0,0,0|2,0,0]=4 10168 B16R1.1061 O=C(C=Cc1ccc(cn1)F)NCC(F)F 240690a_100000765723_100020630499 [0,2,0,0,0,0|2,0,0]=4 10169 B16R1.1061 O=C(C=Cc1ccc(nc1)Br)NCC(F)F 11a_100000765723_100020588214 [0,2,0,0,0,0|2,0,0]=4 10170 B16R1.1061 O=C(C=Cc1ccc(nc1)Br)NCC(F)F 1626a_100000765723_100020588214 [0,2,0,0,0,0|2,0,0]=4 10171 B16R1.1061 O=C(C=Cc1ccc(nc1)Br)NCC(F)F 240690a_100000765723_100020588214 [0,2,0,0,0,0|2,0,0]=4 10172 B16R1.1061 O=C(O)CCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100000210954 [0,2,0,0,0,0|1,0,1]=4 10173 B16R1.1061 O=C(O)CCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100000210954 [0,2,0,0,0,0|1,0,1]=4 10174 B16R1.1061 O=C(O)CCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100000210954 [0,2,0,0,0,0|1,0,1]=4 10175 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1Br)F 11a_100000212058_200102591336 [0,2,0,0,0,0|1,0,1]=4 10176 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1Br)F 1626a_100000212058_200102591336 [0,2,0,0,0,0|1,0,1]=4 10177 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1Br)F 240690a_100000212058_200102591336 [0,2,0,0,0,0|1,0,1]=4 10178 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1C)C 11a_100000212058_100000238256 [0,2,0,0,0,0|1,0,1]=4 10179 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1C)C 1626a_100000212058_100000238256 [0,2,0,0,0,0|1,0,1]=4 10180 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1C)F 11a_100000212058_100016280397 [0,2,0,0,0,0|1,0,1]=4 10181 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1C)F 1626a_100000212058_100016280397 [0,2,0,0,0,0|1,0,1]=4 10182 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1Cl)Br 11a_100000212058_100102525105 [0,2,0,0,0,0|1,0,1]=4 10183 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1Cl)Br 1626a_100000212058_100102525105 [0,2,0,0,0,0|1,0,1]=4 10184 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100000212058_100102525105 [0,2,0,0,0,0|1,0,1]=4 10185 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1Cl)Cl 11a_100000212058_100016270030 [0,2,0,0,0,0|1,0,1]=4 10186 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1Cl)Cl 1626a_100000212058_100016270030 [0,2,0,0,0,0|1,0,1]=4 10187 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100000212058_100016270030 [0,2,0,0,0,0|1,0,1]=4 10188 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1Cl)F 11a_100000212058_200102525072 [0,2,0,0,0,0|1,0,1]=4 10189 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1Cl)F 1626a_100000212058_200102525072 [0,2,0,0,0,0|1,0,1]=4 10190 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100000212058_200102525072 [0,2,0,0,0,0|1,0,1]=4 10191 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1F)Br 11a_100000212058_100011214948 [0,2,0,0,0,0|1,0,1]=4 10192 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1F)Br 1626a_100000212058_100011214948 [0,2,0,0,0,0|1,0,1]=4 10193 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1F)Br 240690a_100000212058_100011214948 [0,2,0,0,0,0|1,0,1]=4 10194 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1F)Cl 11a_100000212058_100102561868 [0,2,0,0,0,0|1,0,1]=4 10195 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1F)Cl 1626a_100000212058_100102561868 [0,2,0,0,0,0|1,0,1]=4 10196 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100000212058_100102561868 [0,2,0,0,0,0|1,0,1]=4 10197 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1F)F 11a_100000212058_100011195072 [0,2,0,0,0,0|1,0,1]=4 10198 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1F)F 1626a_100000212058_100011195072 [0,2,0,0,0,0|1,0,1]=4 10199 B16R1.1478 C#CCNC(=O)C=Cc1ccc(cc1F)F 240690a_100000212058_100011195072 [0,2,0,0,0,0|1,0,1]=4 10200 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Br)F 1626a_100020586998_200102591336 [0,2,0,0,0,0|1,0,1]=4 10201 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Br)F 240690a_100020586998_200102591336 [0,2,0,0,0,0|1,0,1]=4 10202 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1C)C 1626a_100020586998_100000238256 [0,2,0,0,0,0|1,0,1]=4 10203 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1C)F 1626a_100020586998_100016280397 [0,2,0,0,0,0|1,0,1]=4 10204 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Cl)Br 1626a_100020586998_100102525105 [0,2,0,0,0,0|1,0,1]=4 10205 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100020586998_100102525105 [0,2,0,0,0,0|1,0,1]=4 10206 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Cl)Cl 1626a_100020586998_100016270030 [0,2,0,0,0,0|1,0,1]=4 10207 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100020586998_100016270030 [0,2,0,0,0,0|1,0,1]=4 10208 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Cl)F 1626a_100020586998_200102525072 [0,2,0,0,0,0|1,0,1]=4 10209 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100020586998_200102525072 [0,2,0,0,0,0|1,0,1]=4 10210 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1F)Br 1626a_100020586998_100011214948 [0,2,0,0,0,0|1,0,1]=4 10211 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1F)Br 240690a_100020586998_100011214948 [0,2,0,0,0,0|1,0,1]=4 10212 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1F)Cl 1626a_100020586998_100102561868 [0,2,0,0,0,0|1,0,1]=4 10213 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100020586998_100102561868 [0,2,0,0,0,0|1,0,1]=4 10214 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1F)F 1626a_100020586998_100011195072 [0,2,0,0,0,0|1,0,1]=4 10215 B16R1.1478 C=CCNC(=O)C=Cc1ccc(cc1F)F 240690a_100020586998_100011195072 [0,2,0,0,0,0|1,0,1]=4 10216 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1Br)F 1458a_200102591336_100000210211 [0,2,0,0,0,0|2,0,0]=4 10217 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1Br)I 6a_100010185650_100000032102 [0,2,0,0,0,0|2,0,0]=4 10218 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1Cl)Br 1458a_100102525105_100000210211 [0,2,0,0,0,0|2,0,0]=4 10219 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1Cl)Cl 1458a_100016270030_100000210211 [0,2,0,0,0,0|2,0,0]=4 10220 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1Cl)F 1458a_200102525072_100000210211 [0,2,0,0,0,0|2,0,0]=4 10221 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1Cl)I 6a_100000727542_100000032102 [0,2,0,0,0,0|2,0,0]=4 10222 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1F)Br 1458a_100011214948_100000210211 [0,2,0,0,0,0|2,0,0]=4 10223 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1F)Br 6a_100000211676_100000032102 [0,2,0,0,0,0|2,0,0]=4 10224 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1F)C 6a_100011217368_100000032102 [0,2,0,0,0,0|2,0,0]=4 10225 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1F)Cl 1458a_100102561868_100000210211 [0,2,0,0,0,0|2,0,0]=4 10226 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1F)F 1458a_100011195072_100000210211 [0,2,0,0,0,0|2,0,0]=4 10227 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1F)F 6a_100000211964_100000032102 [0,2,0,0,0,0|2,0,0]=4 10228 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1F)I 6a_100000050965_100000032102 [0,2,0,0,0,0|2,0,0]=4 10229 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1I)Br 6a_100010146562_100000032102 [0,2,0,0,0,0|2,0,0]=4 10230 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1I)C 6a_100010150104_100000032102 [0,2,0,0,0,0|2,0,0]=4 10231 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1I)F 6a_100010254405_100000032102 [0,2,0,0,0,0|2,0,0]=4 10232 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1I)O 6a_100000051608_100000032102 [0,2,0,0,0,0|2,0,0]=4 10233 B16R1.1478 CCCCC(=O)C=Cc1ccc(cc1O)I 6a_100000050530_100000032102 [0,2,0,0,0,0|2,0,0]=4 10234 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Br)F 11a_100020643023_200102591336 [0,2,0,0,0,0|1,0,0]=3 10235 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Br)F 1626a_100020643023_200102591336 [0,2,0,0,0,0|1,0,0]=3 10236 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Br)F 240690a_100020643023_200102591336 [0,2,0,0,0,0|1,0,0]=3 10237 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1C)C 11a_100020643023_100000238256 [0,2,0,0,0,0|1,0,0]=3 10238 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1C)C 1626a_100020643023_100000238256 [0,2,0,0,0,0|1,0,0]=3 10239 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1C)F 11a_100020643023_100016280397 [0,2,0,0,0,0|1,0,0]=3 10240 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1C)F 1626a_100020643023_100016280397 [0,2,0,0,0,0|1,0,0]=3 10241 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Cl)Br 11a_100020643023_100102525105 [0,2,0,0,0,0|1,0,0]=3 10242 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Cl)Br 1626a_100020643023_100102525105 [0,2,0,0,0,0|1,0,0]=3 10243 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Cl)Br 240690a_100020643023_100102525105 [0,2,0,0,0,0|1,0,0]=3 10244 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Cl)Cl 11a_100020643023_100016270030 [0,2,0,0,0,0|1,0,0]=3 10245 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Cl)Cl 1626a_100020643023_100016270030 [0,2,0,0,0,0|1,0,0]=3 10246 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Cl)Cl 240690a_100020643023_100016270030 [0,2,0,0,0,0|1,0,0]=3 10247 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Cl)F 11a_100020643023_200102525072 [0,2,0,0,0,0|1,0,0]=3 10248 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Cl)F 1626a_100020643023_200102525072 [0,2,0,0,0,0|1,0,0]=3 10249 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1Cl)F 240690a_100020643023_200102525072 [0,2,0,0,0,0|1,0,0]=3 10250 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1F)Br 11a_100020643023_100011214948 [0,2,0,0,0,0|1,0,0]=3 10251 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1F)Br 1626a_100020643023_100011214948 [0,2,0,0,0,0|1,0,0]=3 10252 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1F)Br 240690a_100020643023_100011214948 [0,2,0,0,0,0|1,0,0]=3 10253 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1F)Cl 11a_100020643023_100102561868 [0,2,0,0,0,0|1,0,0]=3 10254 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1F)Cl 1626a_100020643023_100102561868 [0,2,0,0,0,0|1,0,0]=3 10255 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1F)Cl 240690a_100020643023_100102561868 [0,2,0,0,0,0|1,0,0]=3 10256 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1F)F 11a_100020643023_100011195072 [0,2,0,0,0,0|1,0,0]=3 10257 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1F)F 1626a_100020643023_100011195072 [0,2,0,0,0,0|1,0,0]=3 10258 B16R1.1478 CCCNC(=O)C=Cc1ccc(cc1F)F 240690a_100020643023_100011195072 [0,2,0,0,0,0|1,0,0]=3 10259 B16R1.1478 CCNNC(=O)C=Cc1ccc(cc1Br)F 22a_100000756455_200102591336 [0,2,0,0,0,0|2,0,0]=4 10260 B16R1.1478 CCNNC(=O)C=Cc1ccc(cc1C)C 22a_100000756455_100000238256 [0,2,0,0,0,0|2,0,0]=4 10261 B16R1.1478 CCNNC(=O)C=Cc1ccc(cc1C)F 22a_100000756455_100016280397 [0,2,0,0,0,0|2,0,0]=4 10262 B16R1.1478 CCNNC(=O)C=Cc1ccc(cc1C)O 22a_100000756455_200132309679 [0,2,0,0,0,0|2,0,0]=4 10263 B16R1.1478 CCNNC(=O)C=Cc1ccc(cc1Cl)Br 22a_100000756455_100102525105 [0,2,0,0,0,0|2,0,0]=4 10264 B16R1.1478 CCNNC(=O)C=Cc1ccc(cc1Cl)Cl 22a_100000756455_100016270030 [0,2,0,0,0,0|2,0,0]=4 10265 B16R1.1478 CCNNC(=O)C=Cc1ccc(cc1Cl)F 22a_100000756455_200102525072 [0,2,0,0,0,0|2,0,0]=4 10266 B16R1.1478 CCNNC(=O)C=Cc1ccc(cc1F)Br 22a_100000756455_100011214948 [0,2,0,0,0,0|2,0,0]=4 10267 B16R1.1478 CCNNC(=O)C=Cc1ccc(cc1F)Cl 22a_100000756455_100102561868 [0,2,0,0,0,0|2,0,0]=4 10268 B16R1.1478 CCNNC(=O)C=Cc1ccc(cc1F)F 22a_100000756455_100011195072 [0,2,0,0,0,0|2,0,0]=4 10269 B16R1.1478 Cc1cc(ccc1C=CC(=O)NCC#N)F 1626a_100000734998_100016280397 [0,2,0,0,0,0|1,0,1]=4 10270 B16R1.1478 Cc1cc(ccc1C=CC(=O)NCCF)F 11a_100000724931_100016280397 [0,2,0,0,0,0|1,0,0]=3 10271 B16R1.1478 Cc1cc(ccc1C=CC(=O)NCCF)F 1626a_100000724931_100016280397 [0,2,0,0,0,0|1,0,0]=3 10272 B16R1.1478 Cc1cc(ccc1CCC(=O)NCCO)F 240690a_100000210304_100011615716 [0,2,0,0,0,0|0,0,2]=4 10273 B16R1.1478 Cc1cc(ccc1CCC(=O)NCCO)F 527a_100000210304_100011615716 [0,2,0,0,0,0|0,0,2]=4 10274 B16R1.1478 Cc1cc(ccc1CNC(=O)NCCO)Br 2708a_100000753881_100000210304 [0,2,0,0,0,0|1,0,1]=4 10275 B16R1.1478 Cc1cc(ccc1CNC(=O)NCCO)Br 273464a_100000210304_100000753881 [0,2,0,0,0,0|1,0,1]=4 10276 B16R1.1478 Cc1cc(ccc1CNC(=O)NCCO)Br 273464a_100000753881_100000210304 [0,2,0,0,0,0|1,0,1]=4 10277 B16R1.1478 Cc1cc(ccc1CNC(=O)NCCO)Br 512a_100000753881_100000210304 [0,2,0,0,0,0|1,0,1]=4 10278 B16R1.1478 Cc1cc(ccc1CNC(=O)NCCO)Cl 2708a_103436540063_100000210304 [0,2,0,0,0,0|1,0,1]=4 10279 B16R1.1478 Cc1cc(ccc1CNC(=O)NCCO)Cl 273464a_100000210304_103436540063 [0,2,0,0,0,0|1,0,1]=4 10280 B16R1.1478 Cc1cc(ccc1CNC(=O)NCCO)Cl 273464a_103436540063_100000210304 [0,2,0,0,0,0|1,0,1]=4 10281 B16R1.1478 Cc1cc(ccc1CNC(=O)NCCO)Cl 512a_103436540063_100000210304 [0,2,0,0,0,0|1,0,1]=4 10282 B16R1.1478 Cc1cc(ccc1CNC(=O)NCCO)F 2708a_100137329023_100000210304 [0,2,0,0,0,0|1,0,1]=4 10283 B16R1.1478 Cc1cc(ccc1CNC(=O)NCCO)F 273464a_100000210304_100137329023 [0,2,0,0,0,0|1,0,1]=4 10284 B16R1.1478 Cc1cc(ccc1CNC(=O)NCCO)F 273464a_100137329023_100000210304 [0,2,0,0,0,0|1,0,1]=4 10285 B16R1.1478 Cc1cc(ccc1CNC(=O)NCCO)F 512a_100137329023_100000210304 [0,2,0,0,0,0|1,0,1]=4 10286 B16R1.1478 Cc1cc(ccc1NNC(=O)NCCO)Br 273464a_100000210304_100000751375 [0,2,0,0,0,0|2,0,0]=4 10287 B16R1.1478 Cc1cc(ccc1NNC(=O)NCCO)Cl 273464a_100000210304_100011215965 [0,2,0,0,0,0|2,0,0]=4 10288 B16R1.1478 Cc1cc(ccc1NNC(=O)NCCO)F 273464a_100000210304_100000741282 [0,2,0,0,0,0|2,0,0]=4 10289 B16R1.1478 Cc1cc(ccc1OCC(=O)NCCO)Cl 240690a_100000210304_100000182498 [0,2,0,0,0,0|1,0,1]=4 10290 B16R1.1478 Cc1cc(ccc1OCC(=O)NCCO)Cl 527a_100000210304_100000182498 [0,2,0,0,0,0|1,0,1]=4 10291 B16R1.1478 Cc1cc(ccc1SCC(=O)NCCO)Br 240690a_100000210304_100000679851 [0,2,0,0,0,0|1,0,1]=4 10292 B16R1.1478 Cc1cc(ccc1SCC(=O)NCCO)Br 527a_100000210304_100000679851 [0,2,0,0,0,0|1,0,1]=4 10293 B16R1.1478 Cc1ccc(c(c1)Br)NNC(=O)NCCO 273464a_100000210304_100016996181 [0,2,0,0,0,0|2,0,0]=4 10294 B16R1.1478 Cc1ccc(c(c1)Br)OCC(=O)NCCO 240690a_100000210304_100000186371 [0,2,0,0,0,0|1,0,1]=4 10295 B16R1.1478 Cc1ccc(c(c1)Br)OCC(=O)NCCO 527a_100000210304_100000186371 [0,2,0,0,0,0|1,0,1]=4 10296 B16R1.1478 Cc1ccc(c(c1)C)C=CC(=O)NCC#N 1626a_100000734998_100000238256 [0,2,0,0,0,0|1,0,1]=4 10297 B16R1.1478 Cc1ccc(c(c1)C)C=CC(=O)NCCF 11a_100000724931_100000238256 [0,2,0,0,0,0|1,0,0]=3 10298 B16R1.1478 Cc1ccc(c(c1)C)C=CC(=O)NCCF 1626a_100000724931_100000238256 [0,2,0,0,0,0|1,0,0]=3 10299 B16R1.1478 Cc1ccc(c(c1)C)CCC(=O)NCCO 240690a_100000210304_100000239910 [0,2,0,0,0,0|0,0,2]=4 10300 B16R1.1478 Cc1ccc(c(c1)C)CCC(=O)NCCO 527a_100000210304_100000239910 [0,2,0,0,0,0|0,0,2]=4 10301 B16R1.1478 Cc1ccc(c(c1)C)CNC(=O)NCCO 2708a_100000737523_100000210304 [0,2,0,0,0,0|1,0,1]=4 10302 B16R1.1478 Cc1ccc(c(c1)C)CNC(=O)NCCO 273464a_100000210304_100000737523 [0,2,0,0,0,0|1,0,1]=4 10303 B16R1.1478 Cc1ccc(c(c1)C)CNC(=O)NCCO 273464a_100000737523_100000210304 [0,2,0,0,0,0|1,0,1]=4 10304 B16R1.1478 Cc1ccc(c(c1)C)CNC(=O)NCCO 512a_100000737523_100000210304 [0,2,0,0,0,0|1,0,1]=4 10305 B16R1.1478 Cc1ccc(c(c1)C)NNC(=O)NCCO 273464a_100000210304_100000184573 [0,2,0,0,0,0|2,0,0]=4 10306 B16R1.1478 Cc1ccc(c(c1)C)OCC(=O)NCCO 240690a_100000210304_200000185146 [0,2,0,0,0,0|1,0,1]=4 10307 B16R1.1478 Cc1ccc(c(c1)C)OCC(=O)NCCO 527a_100000210304_200000185146 [0,2,0,0,0,0|1,0,1]=4 10308 B16R1.1478 Cc1ccc(c(c1)Cl)CNC(=O)NCCO 2708a_100011997539_100000210304 [0,2,0,0,0,0|1,0,1]=4 10309 B16R1.1478 Cc1ccc(c(c1)Cl)CNC(=O)NCCO 273464a_100000210304_100011997539 [0,2,0,0,0,0|1,0,1]=4 10310 B16R1.1478 Cc1ccc(c(c1)Cl)CNC(=O)NCCO 273464a_100011997539_100000210304 [0,2,0,0,0,0|1,0,1]=4 10311 B16R1.1478 Cc1ccc(c(c1)Cl)NNC(=O)NCCO 273464a_100000210304_100000006747 [0,2,0,0,0,0|2,0,0]=4 10312 B16R1.1478 Cc1ccc(c(c1)Cl)OCC(=O)NCCO 240690a_100000210304_200011725833 [0,2,0,0,0,0|1,0,1]=4 10313 B16R1.1478 Cc1ccc(c(c1)Cl)OCC(=O)NCCO 527a_100000210304_200011725833 [0,2,0,0,0,0|1,0,1]=4 10314 B16R1.1478 Cc1ccc(c(c1)F)C=CC(=O)CCCBr 6a_100011217368_100000685027 [0,2,0,0,0,0|2,0,0]=4 10315 B16R1.1478 Cc1ccc(c(c1)F)C=CC(=O)CCCCl 6a_100011217368_100011215641 [0,2,0,0,0,0|2,0,0]=4 10316 B16R1.1478 Cc1ccc(c(c1)F)CCC(=O)NCCO 240690a_100000210304_100000061718 [0,2,0,0,0,0|0,0,2]=4 10317 B16R1.1478 Cc1ccc(c(c1)F)CCC(=O)NCCO 527a_100000210304_100000061718 [0,2,0,0,0,0|0,0,2]=4 10318 B16R1.1478 Cc1ccc(c(c1)F)CNC(=O)NCCO 2708a_100102887089_100000210304 [0,2,0,0,0,0|1,0,1]=4 10319 B16R1.1478 Cc1ccc(c(c1)F)CNC(=O)NCCO 273464a_100000210304_100102887089 [0,2,0,0,0,0|1,0,1]=4 10320 B16R1.1478 Cc1ccc(c(c1)F)CNC(=O)NCCO 273464a_100102887089_100000210304 [0,2,0,0,0,0|1,0,1]=4 10321 B16R1.1478 Cc1ccc(c(c1)F)CNC(=O)NCCO 512a_100102887089_100000210304 [0,2,0,0,0,0|1,0,1]=4 10322 B16R1.1478 Cc1ccc(c(c1)F)NNC(=O)NCCO 273464a_100000210304_100000689694 [0,2,0,0,0,0|2,0,0]=4 10323 B16R1.1478 Cc1ccc(c(c1)I)C=CC(=O)CCCBr 6a_100010150104_100000685027 [0,2,0,0,0,0|2,0,0]=4 10324 B16R1.1478 Cc1ccc(c(c1)I)C=CC(=O)CCCCl 6a_100010150104_100011215641 [0,2,0,0,0,0|2,0,0]=4 10325 B16R1.1478 N#CCNC(=O)C=Cc1ccc(cc1Br)F 1626a_100000734998_200102591336 [0,2,0,0,0,0|1,0,1]=4 10326 B16R1.1478 N#CCNC(=O)C=Cc1ccc(cc1Cl)Br 1626a_100000734998_100102525105 [0,2,0,0,0,0|1,0,1]=4 10327 B16R1.1478 N#CCNC(=O)C=Cc1ccc(cc1Cl)Cl 1626a_100000734998_100016270030 [0,2,0,0,0,0|1,0,1]=4 10328 B16R1.1478 N#CCNC(=O)C=Cc1ccc(cc1Cl)F 1626a_100000734998_200102525072 [0,2,0,0,0,0|1,0,1]=4 10329 B16R1.1478 N#CCNC(=O)C=Cc1ccc(cc1F)Br 1626a_100000734998_100011214948 [0,2,0,0,0,0|1,0,1]=4 10330 B16R1.1478 N#CCNC(=O)C=Cc1ccc(cc1F)Cl 1626a_100000734998_100102561868 [0,2,0,0,0,0|1,0,1]=4 10331 B16R1.1478 N#CCNC(=O)C=Cc1ccc(cc1F)F 1626a_100000734998_100011195072 [0,2,0,0,0,0|1,0,1]=4 10332 B16R1.1478 O=C(C=Cc1ccc(cc1Br)F)CCCF 1458a_200102591336_100011934791 [0,2,0,0,0,0|2,0,0]=4 10333 B16R1.1478 O=C(C=Cc1ccc(cc1Br)F)CCCO 1458a_200102591336_100011215043 [0,2,0,0,0,0|1,0,0]=3 10334 B16R1.1478 O=C(C=Cc1ccc(cc1Br)F)NCCF 11a_100000724931_200102591336 [0,2,0,0,0,0|1,0,0]=3 10335 B16R1.1478 O=C(C=Cc1ccc(cc1Br)F)NCCF 1626a_100000724931_200102591336 [0,2,0,0,0,0|1,0,0]=3 10336 B16R1.1478 O=C(C=Cc1ccc(cc1Br)F)NCCF 240690a_100000724931_200102591336 [0,2,0,0,0,0|1,0,0]=3 10337 B16R1.1478 O=C(C=Cc1ccc(cc1Br)F)NCCO 240690a_100000210304_200102591336 [0,2,0,0,0,0|0,0,0]=2 10338 B16R1.1478 O=C(C=Cc1ccc(cc1Br)I)CCCBr 6a_100010185650_100000685027 [0,2,0,0,0,0|2,0,0]=4 10339 B16R1.1478 O=C(C=Cc1ccc(cc1Br)I)CCCCl 6a_100010185650_100011215641 [0,2,0,0,0,0|2,0,0]=4 10340 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)Br)CCCF 1458a_100102525105_100011934791 [0,2,0,0,0,0|2,0,0]=4 10341 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)Br)CCCO 1458a_100102525105_100011215043 [0,2,0,0,0,0|1,0,0]=3 10342 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)Br)NCCF 11a_100000724931_100102525105 [0,2,0,0,0,0|1,0,0]=3 10343 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)Br)NCCF 1626a_100000724931_100102525105 [0,2,0,0,0,0|1,0,0]=3 10344 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)Br)NCCF 240690a_100000724931_100102525105 [0,2,0,0,0,0|1,0,0]=3 10345 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)Br)NCCO 240690a_100000210304_100102525105 [0,2,0,0,0,0|0,0,0]=2 10346 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)Cl)CCCF 1458a_100016270030_100011934791 [0,2,0,0,0,0|2,0,0]=4 10347 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)Cl)CCCO 1458a_100016270030_100011215043 [0,2,0,0,0,0|1,0,0]=3 10348 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)Cl)NCCF 11a_100000724931_100016270030 [0,2,0,0,0,0|1,0,0]=3 10349 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)Cl)NCCF 1626a_100000724931_100016270030 [0,2,0,0,0,0|1,0,0]=3 10350 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)Cl)NCCF 240690a_100000724931_100016270030 [0,2,0,0,0,0|1,0,0]=3 10351 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)Cl)NCCO 240690a_100000210304_100016270030 [0,2,0,0,0,0|0,0,0]=2 10352 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)F)CCCF 1458a_200102525072_100011934791 [0,2,0,0,0,0|2,0,0]=4 10353 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)F)CCCO 1458a_200102525072_100011215043 [0,2,0,0,0,0|1,0,0]=3 10354 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)F)NCCF 11a_100000724931_200102525072 [0,2,0,0,0,0|1,0,0]=3 10355 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)F)NCCF 1626a_100000724931_200102525072 [0,2,0,0,0,0|1,0,0]=3 10356 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)F)NCCF 240690a_100000724931_200102525072 [0,2,0,0,0,0|1,0,0]=3 10357 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)F)NCCO 240690a_100000210304_200102525072 [0,2,0,0,0,0|0,0,0]=2 10358 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)I)CCCBr 6a_100000727542_100000685027 [0,2,0,0,0,0|2,0,0]=4 10359 B16R1.1478 O=C(C=Cc1ccc(cc1Cl)I)CCCCl 6a_100000727542_100011215641 [0,2,0,0,0,0|2,0,0]=4 10360 B16R1.1478 O=C(C=Cc1ccc(cc1F)Br)CCCBr 6a_100000211676_100000685027 [0,2,0,0,0,0|2,0,0]=4 10361 B16R1.1478 O=C(C=Cc1ccc(cc1F)Br)CCCCl 6a_100000211676_100011215641 [0,2,0,0,0,0|2,0,0]=4 10362 B16R1.1478 O=C(C=Cc1ccc(cc1F)Br)CCCF 1458a_100011214948_100011934791 [0,2,0,0,0,0|2,0,0]=4 10363 B16R1.1478 O=C(C=Cc1ccc(cc1F)Br)CCCO 1458a_100011214948_100011215043 [0,2,0,0,0,0|1,0,0]=3 10364 B16R1.1478 O=C(C=Cc1ccc(cc1F)Br)NCCF 11a_100000724931_100011214948 [0,2,0,0,0,0|1,0,0]=3 10365 B16R1.1478 O=C(C=Cc1ccc(cc1F)Br)NCCF 1626a_100000724931_100011214948 [0,2,0,0,0,0|1,0,0]=3 10366 B16R1.1478 O=C(C=Cc1ccc(cc1F)Br)NCCF 240690a_100000724931_100011214948 [0,2,0,0,0,0|1,0,0]=3 10367 B16R1.1478 O=C(C=Cc1ccc(cc1F)Br)NCCO 240690a_100000210304_100011214948 [0,2,0,0,0,0|0,0,0]=2 10368 B16R1.1478 O=C(C=Cc1ccc(cc1F)Cl)CCCF 1458a_100102561868_100011934791 [0,2,0,0,0,0|2,0,0]=4 10369 B16R1.1478 O=C(C=Cc1ccc(cc1F)Cl)CCCO 1458a_100102561868_100011215043 [0,2,0,0,0,0|1,0,0]=3 10370 B16R1.1478 O=C(C=Cc1ccc(cc1F)Cl)NCCF 11a_100000724931_100102561868 [0,2,0,0,0,0|1,0,0]=3 10371 B16R1.1478 O=C(C=Cc1ccc(cc1F)Cl)NCCF 1626a_100000724931_100102561868 [0,2,0,0,0,0|1,0,0]=3 10372 B16R1.1478 O=C(C=Cc1ccc(cc1F)Cl)NCCF 240690a_100000724931_100102561868 [0,2,0,0,0,0|1,0,0]=3 10373 B16R1.1478 O=C(C=Cc1ccc(cc1F)Cl)NCCO 240690a_100000210304_100102561868 [0,2,0,0,0,0|0,0,0]=2 10374 B16R1.1478 O=C(C=Cc1ccc(cc1F)F)CCCBr 6a_100000211964_100000685027 [0,2,0,0,0,0|2,0,0]=4 10375 B16R1.1478 O=C(C=Cc1ccc(cc1F)F)CCCCl 6a_100000211964_100011215641 [0,2,0,0,0,0|2,0,0]=4 10376 B16R1.1478 O=C(C=Cc1ccc(cc1F)F)CCCF 1458a_100011195072_100011934791 [0,2,0,0,0,0|2,0,0]=4 10377 B16R1.1478 O=C(C=Cc1ccc(cc1F)F)CCCO 1458a_100011195072_100011215043 [0,2,0,0,0,0|1,0,0]=3 10378 B16R1.1478 O=C(C=Cc1ccc(cc1F)F)NCCF 11a_100000724931_100011195072 [0,2,0,0,0,0|1,0,0]=3 10379 B16R1.1478 O=C(C=Cc1ccc(cc1F)F)NCCF 1626a_100000724931_100011195072 [0,2,0,0,0,0|1,0,0]=3 10380 B16R1.1478 O=C(C=Cc1ccc(cc1F)F)NCCF 240690a_100000724931_100011195072 [0,2,0,0,0,0|1,0,0]=3 10381 B16R1.1478 O=C(C=Cc1ccc(cc1F)F)NCCO 240690a_100000210304_100011195072 [0,2,0,0,0,0|0,0,0]=2 10382 B16R1.1478 O=C(C=Cc1ccc(cc1F)I)CCCBr 6a_100000050965_100000685027 [0,2,0,0,0,0|2,0,0]=4 10383 B16R1.1478 O=C(C=Cc1ccc(cc1F)I)CCCCl 6a_100000050965_100011215641 [0,2,0,0,0,0|2,0,0]=4 10384 B16R1.1478 O=C(C=Cc1ccc(cc1I)Br)CCCBr 6a_100010146562_100000685027 [0,2,0,0,0,0|2,0,0]=4 10385 B16R1.1478 O=C(C=Cc1ccc(cc1I)Br)CCCCl 6a_100010146562_100011215641 [0,2,0,0,0,0|2,0,0]=4 10386 B16R1.1478 O=C(C=Cc1ccc(cc1I)F)CCCBr 6a_100010254405_100000685027 [0,2,0,0,0,0|2,0,0]=4 10387 B16R1.1478 O=C(C=Cc1ccc(cc1I)F)CCCCl 6a_100010254405_100011215641 [0,2,0,0,0,0|2,0,0]=4 10388 B16R1.1478 O=C(C=Cc1ccc(cc1I)O)CCCBr 6a_100000051608_100000685027 [0,2,0,0,0,0|2,0,0]=4 10389 B16R1.1478 O=C(C=Cc1ccc(cc1I)O)CCCCl 6a_100000051608_100011215641 [0,2,0,0,0,0|2,0,0]=4 10390 B16R1.1478 O=C(C=Cc1ccc(cc1O)I)CCCBr 6a_100000050530_100000685027 [0,2,0,0,0,0|2,0,0]=4 10391 B16R1.1478 O=C(C=Cc1ccc(cc1O)I)CCCCl 6a_100000050530_100011215641 [0,2,0,0,0,0|2,0,0]=4 10392 B16R1.1478 O=C(CCc1ccc(cc1Br)F)NCCO 240690a_100000210304_100011308366 [0,2,0,0,0,0|0,0,2]=4 10393 B16R1.1478 O=C(CCc1ccc(cc1Br)F)NCCO 527a_100000210304_100011308366 [0,2,0,0,0,0|0,0,2]=4 10394 B16R1.1478 O=C(CCc1ccc(cc1Cl)Br)NCCO 240690a_100000210304_100012349522 [0,2,0,0,0,0|0,0,2]=4 10395 B16R1.1478 O=C(CCc1ccc(cc1Cl)Br)NCCO 527a_100000210304_100012349522 [0,2,0,0,0,0|0,0,2]=4 10396 B16R1.1478 O=C(CCc1ccc(cc1Cl)Cl)NCCO 240690a_100000210304_100000736762 [0,2,0,0,0,0|0,0,2]=4 10397 B16R1.1478 O=C(CCc1ccc(cc1Cl)Cl)NCCO 527a_100000210304_100000736762 [0,2,0,0,0,0|0,0,2]=4 10398 B16R1.1478 O=C(CCc1ccc(cc1Cl)F)NCCO 240690a_100000210304_100011308368 [0,2,0,0,0,0|0,0,2]=4 10399 B16R1.1478 O=C(CCc1ccc(cc1Cl)F)NCCO 527a_100000210304_100011308368 [0,2,0,0,0,0|0,0,2]=4 10400 B16R1.1478 O=C(CCc1ccc(cc1F)Br)NCCO 240690a_100000210304_100000747174 [0,2,0,0,0,0|0,0,2]=4 10401 B16R1.1478 O=C(CCc1ccc(cc1F)Br)NCCO 527a_100000210304_100000747174 [0,2,0,0,0,0|0,0,2]=4 10402 B16R1.1478 O=C(CCc1ccc(cc1F)Cl)NCCO 240690a_100000210304_100012351355 [0,2,0,0,0,0|0,0,2]=4 10403 B16R1.1478 O=C(CCc1ccc(cc1F)Cl)NCCO 527a_100000210304_100012351355 [0,2,0,0,0,0|0,0,2]=4 10404 B16R1.1478 O=C(CCc1ccc(cc1F)F)NCCO 240690a_100000210304_100000691965 [0,2,0,0,0,0|0,0,2]=4 10405 B16R1.1478 O=C(CCc1ccc(cc1F)F)NCCO 527a_100000210304_100000691965 [0,2,0,0,0,0|0,0,2]=4 10406 B16R1.1478 O=C(CCc1ccc(cc1O)O)NCCO 240690a_100000210304_100000041388 [0,2,0,0,0,0|0,0,2]=4 10407 B16R1.1478 O=C(CCc1ccc(cc1O)O)NCCO 527a_100000210304_100000041388 [0,2,0,0,0,0|0,0,2]=4 10408 B16R1.1478 O=C(COc1ccc(cc1Br)Br)NCCO 240690a_100000210304_200000181479 [0,2,0,0,0,0|1,0,1]=4 10409 B16R1.1478 O=C(COc1ccc(cc1Br)Br)NCCO 527a_100000210304_200000181479 [0,2,0,0,0,0|1,0,1]=4 10410 B16R1.1478 O=C(COc1ccc(cc1Br)Cl)NCCO 240690a_100000210304_100000184090 [0,2,0,0,0,0|1,0,1]=4 10411 B16R1.1478 O=C(COc1ccc(cc1Br)Cl)NCCO 527a_100000210304_100000184090 [0,2,0,0,0,0|1,0,1]=4 10412 B16R1.1478 O=C(COc1ccc(cc1Br)F)NCCO 240690a_100000210304_100000184067 [0,2,0,0,0,0|1,0,1]=4 10413 B16R1.1478 O=C(COc1ccc(cc1Br)F)NCCO 527a_100000210304_100000184067 [0,2,0,0,0,0|1,0,1]=4 10414 B16R1.1478 O=C(COc1ccc(cc1Cl)Br)NCCO 240690a_100000210304_100000185252 [0,2,0,0,0,0|1,0,1]=4 10415 B16R1.1478 O=C(COc1ccc(cc1Cl)Br)NCCO 527a_100000210304_100000185252 [0,2,0,0,0,0|1,0,1]=4 10416 B16R1.1478 O=C(COc1ccc(cc1Cl)Cl)NCCO 240690a_100000210304_100102647096 [0,2,0,0,0,0|1,0,1]=4 10417 B16R1.1478 O=C(COc1ccc(cc1Cl)Cl)NCCO 527a_100000210304_100102647096 [0,2,0,0,0,0|1,0,1]=4 10418 B16R1.1478 O=C(COc1ccc(cc1Cl)F)NCCO 240690a_100000210304_100000191239 [0,2,0,0,0,0|1,0,1]=4 10419 B16R1.1478 O=C(COc1ccc(cc1Cl)F)NCCO 527a_100000210304_100000191239 [0,2,0,0,0,0|1,0,1]=4 10420 B16R1.1478 O=C(COc1ccc(cc1F)Br)NCCO 240690a_100000210304_100000184069 [0,2,0,0,0,0|1,0,1]=4 10421 B16R1.1478 O=C(COc1ccc(cc1F)Br)NCCO 527a_100000210304_100000184069 [0,2,0,0,0,0|1,0,1]=4 10422 B16R1.1478 O=C(COc1ccc(cc1F)Cl)NCCO 240690a_100000210304_100012771990 [0,2,0,0,0,0|1,0,1]=4 10423 B16R1.1478 O=C(COc1ccc(cc1F)Cl)NCCO 527a_100000210304_100012771990 [0,2,0,0,0,0|1,0,1]=4 10424 B16R1.1478 O=C(COc1ccc(cc1F)F)NCCO 240690a_100000210304_100000737261 [0,2,0,0,0,0|1,0,1]=4 10425 B16R1.1478 O=C(COc1ccc(cc1F)F)NCCO 527a_100000210304_100000737261 [0,2,0,0,0,0|1,0,1]=4 10426 B16R1.1478 O=C(COc1ccc(cc1O)Cl)NCCO 240690a_100000210304_100010174420 [0,2,0,0,0,0|1,0,1]=4 10427 B16R1.1478 O=C(COc1ccc(cc1O)Cl)NCCO 527a_100000210304_100010174420 [0,2,0,0,0,0|1,0,1]=4 10428 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Br)Cl 2708a_100102692131_100000210304 [0,2,0,0,0,0|1,0,1]=4 10429 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Br)Cl 273464a_100000210304_100102692131 [0,2,0,0,0,0|1,0,1]=4 10430 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Br)Cl 273464a_100102692131_100000210304 [0,2,0,0,0,0|1,0,1]=4 10431 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Br)Cl 512a_100102692131_100000210304 [0,2,0,0,0,0|1,0,1]=4 10432 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Br)F 2708a_100000708791_100000210304 [0,2,0,0,0,0|1,0,1]=4 10433 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Br)F 273464a_100000210304_100000708791 [0,2,0,0,0,0|1,0,1]=4 10434 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Br)F 273464a_100000708791_100000210304 [0,2,0,0,0,0|1,0,1]=4 10435 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Br)F 512a_100000708791_100000210304 [0,2,0,0,0,0|1,0,1]=4 10436 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Cl)Br 2708a_100020628970_100000210304 [0,2,0,0,0,0|1,0,1]=4 10437 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Cl)Br 273464a_100000210304_100020628970 [0,2,0,0,0,0|1,0,1]=4 10438 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Cl)Br 273464a_100020628970_100000210304 [0,2,0,0,0,0|1,0,1]=4 10439 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Cl)Br 512a_100020628970_100000210304 [0,2,0,0,0,0|1,0,1]=4 10440 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Cl)Cl 2708a_100000174880_100000210304 [0,2,0,0,0,0|1,0,1]=4 10441 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Cl)Cl 273464a_100000174880_100000210304 [0,2,0,0,0,0|1,0,1]=4 10442 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Cl)Cl 273464a_100000210304_100000174880 [0,2,0,0,0,0|1,0,1]=4 10443 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Cl)F 2708a_100000174946_100000210304 [0,2,0,0,0,0|1,0,1]=4 10444 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Cl)F 273464a_100000174946_100000210304 [0,2,0,0,0,0|1,0,1]=4 10445 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Cl)F 273464a_100000210304_100000174946 [0,2,0,0,0,0|1,0,1]=4 10446 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Cl)F 512a_100000174946_100000210304 [0,2,0,0,0,0|1,0,1]=4 10447 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Cl)O 2708a_200161156549_100000210304 [0,2,0,0,0,0|1,0,1]=4 10448 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Cl)O 273464a_100000210304_200161156549 [0,2,0,0,0,0|1,0,1]=4 10449 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Cl)O 273464a_200161156549_100000210304 [0,2,0,0,0,0|1,0,1]=4 10450 B16R1.1478 O=C(NCCO)NCc1ccc(cc1Cl)O 512a_200161156549_100000210304 [0,2,0,0,0,0|1,0,1]=4 10451 B16R1.1478 O=C(NCCO)NCc1ccc(cc1F)Br 2708a_100000754580_100000210304 [0,2,0,0,0,0|1,0,1]=4 10452 B16R1.1478 O=C(NCCO)NCc1ccc(cc1F)Br 273464a_100000210304_100000754580 [0,2,0,0,0,0|1,0,1]=4 10453 B16R1.1478 O=C(NCCO)NCc1ccc(cc1F)Br 273464a_100000754580_100000210304 [0,2,0,0,0,0|1,0,1]=4 10454 B16R1.1478 O=C(NCCO)NCc1ccc(cc1F)Br 512a_100000754580_100000210304 [0,2,0,0,0,0|1,0,1]=4 10455 B16R1.1478 O=C(NCCO)NCc1ccc(cc1F)Cl 2708a_100000708496_100000210304 [0,2,0,0,0,0|1,0,1]=4 10456 B16R1.1478 O=C(NCCO)NCc1ccc(cc1F)Cl 273464a_100000210304_100000708496 [0,2,0,0,0,0|1,0,1]=4 10457 B16R1.1478 O=C(NCCO)NCc1ccc(cc1F)Cl 273464a_100000708496_100000210304 [0,2,0,0,0,0|1,0,1]=4 10458 B16R1.1478 O=C(NCCO)NCc1ccc(cc1F)Cl 512a_100000708496_100000210304 [0,2,0,0,0,0|1,0,1]=4 10459 B16R1.1478 O=C(NCCO)NCc1ccc(cc1F)F 2708a_100000737868_100000210304 [0,2,0,0,0,0|1,0,1]=4 10460 B16R1.1478 O=C(NCCO)NCc1ccc(cc1F)F 273464a_100000210304_100000737868 [0,2,0,0,0,0|1,0,1]=4 10461 B16R1.1478 O=C(NCCO)NCc1ccc(cc1F)F 273464a_100000737868_100000210304 [0,2,0,0,0,0|1,0,1]=4 10462 B16R1.1478 O=C(NCCO)NCc1ccc(cc1F)F 512a_100000737868_100000210304 [0,2,0,0,0,0|1,0,1]=4 10463 B16R1.1478 O=C(NCCO)NNc1ccc(cc1Br)Br 273464a_100000210304_100020603695 [0,2,0,0,0,0|2,0,0]=4 10464 B16R1.1478 O=C(NCCO)NNc1ccc(cc1Cl)Br 273464a_100000210304_100000751498 [0,2,0,0,0,0|2,0,0]=4 10465 B16R1.1478 O=C(NCCO)NNc1ccc(cc1Cl)Cl 273464a_100000210304_100000717958 [0,2,0,0,0,0|2,0,0]=4 10466 B16R1.1478 O=C(NCCO)NNc1ccc(cc1Cl)F 273464a_100000210304_100016987656 [0,2,0,0,0,0|2,0,0]=4 10467 B16R1.1478 O=C(NCCO)NNc1ccc(cc1F)Br 273464a_100000210304_100000751572 [0,2,0,0,0,0|2,0,0]=4 10468 B16R1.1478 O=C(NCCO)NNc1ccc(cc1F)Cl 273464a_100000210304_100016989531 [0,2,0,0,0,0|2,0,0]=4 10469 B16R1.1478 O=C(NCCO)NNc1ccc(cc1F)F 273464a_100000210304_100000681581 [0,2,0,0,0,0|2,0,0]=4 10470 B16R1.1480 C#CCNC(=O)C=Cc1ccc(cc1)C#N 11a_100000212058_100000185084 [0,2,0,0,0,0|1,0,1]=4 10471 B16R1.1480 C#CCNC(=O)C=Cc1ccc(cc1)C#N 1626a_100000212058_100000185084 [0,2,0,0,0,0|1,0,1]=4 10472 B16R1.1480 C#CCNC(=O)C=Cc1ccc(cc1)C#N 240690a_100000212058_100000185084 [0,2,0,0,0,0|1,0,1]=4 10473 B16R1.1480 C#CCNC(=O)C=Cc1ccc(cc1)CC 11a_100000212058_100000187855 [0,2,0,0,0,0|1,0,1]=4 10474 B16R1.1480 C#CCNC(=O)C=Cc1ccc(cc1)CC 1626a_100000212058_100000187855 [0,2,0,0,0,0|1,0,1]=4 10475 B16R1.1480 C#CCNC(=O)C=Cc1ccc(cc1)CC 240690a_100000212058_100000187855 [0,2,0,0,0,0|1,0,1]=4 10476 B16R1.1480 C#CCNC(=O)C=Cc1ccc(cc1)OC 11a_100000212058_100000184205 [0,2,0,0,0,0|1,0,1]=4 10477 B16R1.1480 C#CCNC(=O)C=Cc1ccc(cc1)OC 1626a_100000212058_100000184205 [0,2,0,0,0,0|1,0,1]=4 10478 B16R1.1480 C#CCNC(=O)C=Cc1ccc(cc1)OC 527a_100000212058_100000184205 [0,2,0,0,0,0|1,0,1]=4 10479 B16R1.1480 C#CCNC(=O)C=Cc1ccc(cc1)SC 11a_100000212058_100102526083 [0,2,0,0,0,0|1,0,1]=4 10480 B16R1.1480 C#CCNC(=O)C=Cc1ccc(cc1)SC 1626a_100000212058_100102526083 [0,2,0,0,0,0|1,0,1]=4 10481 B16R1.1480 C#CCNC(=O)C=Cc1ccc(cc1)SC 240690a_100000212058_100102526083 [0,2,0,0,0,0|1,0,1]=4 10482 B16R1.1480 C#Cc1ccc(cc1)CNC(=O)NCCO 2708a_100015199678_100000210304 [0,2,0,0,0,0|1,0,1]=4 10483 B16R1.1480 C#Cc1ccc(cc1)CNC(=O)NCCO 273464a_100000210304_100015199678 [0,2,0,0,0,0|1,0,1]=4 10484 B16R1.1480 C#Cc1ccc(cc1)CNC(=O)NCCO 273464a_100015199678_100000210304 [0,2,0,0,0,0|1,0,1]=4 10485 B16R1.1480 C#Cc1ccc(cc1)CNC(=O)NCCO 512a_100015199678_100000210304 [0,2,0,0,0,0|1,0,1]=4 10486 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)C#N 1626a_100020586998_100000185084 [0,2,0,0,0,0|1,0,1]=4 10487 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)C#N 240690a_100020586998_100000185084 [0,2,0,0,0,0|1,0,1]=4 10488 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)CC 1626a_100020586998_100000187855 [0,2,0,0,0,0|1,0,1]=4 10489 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)CC 240690a_100020586998_100000187855 [0,2,0,0,0,0|1,0,1]=4 10490 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)OC 1626a_100020586998_100000184205 [0,2,0,0,0,0|1,0,1]=4 10491 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)OC 527a_100020586998_100000184205 [0,2,0,0,0,0|1,0,1]=4 10492 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)SC 1626a_100020586998_100102526083 [0,2,0,0,0,0|1,0,1]=4 10493 B16R1.1480 C=CCNC(=O)C=Cc1ccc(cc1)SC 240690a_100020586998_100102526083 [0,2,0,0,0,0|1,0,1]=4 10494 B16R1.1480 C=Cc1ccc(cc1)CNC(=O)NCCO 2708a_200011934891_100000210304 [0,2,0,0,0,0|1,0,1]=4 10495 B16R1.1480 C=Cc1ccc(cc1)CNC(=O)NCCO 273464a_100000210304_200011934891 [0,2,0,0,0,0|1,0,1]=4 10496 B16R1.1480 C=Cc1ccc(cc1)CNC(=O)NCCO 273464a_200011934891_100000210304 [0,2,0,0,0,0|1,0,1]=4 10497 B16R1.1480 C=Cc1ccc(cc1)OCC(=O)NCCO 271570a_100011290941_200000158804 [0,2,0,0,0,0|1,0,1]=4 10498 B16R1.1480 CCCCC(=O)C=Cc1ccc(cc1)C#N 1458a_100000185084_100000210211 [0,2,0,0,0,0|2,0,0]=4 10499 B16R1.1480 CCCCC(=O)C=Cc1ccc(cc1)CC 1458a_100000187855_100000210211 [0,2,0,0,0,0|2,0,0]=4 10500 B16R1.1480 CCCCC(=O)C=Cc1ccc(cc1)OC 1458a_100000184205_100000210211 [0,2,0,0,0,0|2,0,0]=4 10501 B16R1.1480 CCCCC(=O)C=Cc1ccc(cc1)SC 1458a_100102526083_100000210211 [0,2,0,0,0,0|2,0,0]=4 10502 B16R1.1480 CCCNC(=O)C=Cc1ccc(cc1)C#N 11a_100020643023_100000185084 [0,2,0,0,0,0|1,0,0]=3 10503 B16R1.1480 CCCNC(=O)C=Cc1ccc(cc1)C#N 1626a_100020643023_100000185084 [0,2,0,0,0,0|1,0,0]=3 10504 B16R1.1480 CCCNC(=O)C=Cc1ccc(cc1)C#N 240690a_100020643023_100000185084 [0,2,0,0,0,0|1,0,0]=3 10505 B16R1.1480 CCCNC(=O)C=Cc1ccc(cc1)CC 11a_100020643023_100000187855 [0,2,0,0,0,0|1,0,0]=3 10506 B16R1.1480 CCCNC(=O)C=Cc1ccc(cc1)CC 1626a_100020643023_100000187855 [0,2,0,0,0,0|1,0,0]=3 10507 B16R1.1480 CCCNC(=O)C=Cc1ccc(cc1)CC 240690a_100020643023_100000187855 [0,2,0,0,0,0|1,0,0]=3 10508 B16R1.1480 CCCNC(=O)C=Cc1ccc(cc1)OC 11a_100020643023_100000184205 [0,2,0,0,0,0|1,0,0]=3 10509 B16R1.1480 CCCNC(=O)C=Cc1ccc(cc1)OC 1626a_100020643023_100000184205 [0,2,0,0,0,0|1,0,0]=3 10510 B16R1.1480 CCCNC(=O)C=Cc1ccc(cc1)OC 527a_100020643023_100000184205 [0,2,0,0,0,0|1,0,0]=3 10511 B16R1.1480 CCCNC(=O)C=Cc1ccc(cc1)SC 11a_100020643023_100102526083 [0,2,0,0,0,0|1,0,0]=3 10512 B16R1.1480 CCCNC(=O)C=Cc1ccc(cc1)SC 1626a_100020643023_100102526083 [0,2,0,0,0,0|1,0,0]=3 10513 B16R1.1480 CCCNC(=O)C=Cc1ccc(cc1)SC 240690a_100020643023_100102526083 [0,2,0,0,0,0|1,0,0]=3 10514 B16R1.1480 CCNNC(=O)C=Cc1ccc(cc1)C#N 22a_100000756455_100000185084 [0,2,0,0,0,0|2,0,0]=4 10515 B16R1.1480 CCNNC(=O)C=Cc1ccc(cc1)CC 22a_100000756455_100000187855 [0,2,0,0,0,0|2,0,0]=4 10516 B16R1.1480 CCNNC(=O)C=Cc1ccc(cc1)OC 22a_100000756455_100000184205 [0,2,0,0,0,0|2,0,0]=4 10517 B16R1.1480 CCNNC(=O)C=Cc1ccc(cc1)SC 22a_100000756455_100102526083 [0,2,0,0,0,0|2,0,0]=4 10518 B16R1.1480 CCc1ccc(cc1)C=CC(=O)CCCF 1458a_100000187855_100011934791 [0,2,0,0,0,0|2,0,0]=4 10519 B16R1.1480 CCc1ccc(cc1)C=CC(=O)CCCO 1458a_100000187855_100011215043 [0,2,0,0,0,0|1,0,0]=3 10520 B16R1.1480 CCc1ccc(cc1)C=CC(=O)NCC#N 1626a_100000734998_100000187855 [0,2,0,0,0,0|1,0,1]=4 10521 B16R1.1480 CCc1ccc(cc1)C=CC(=O)NCCF 11a_100000724931_100000187855 [0,2,0,0,0,0|1,0,0]=3 10522 B16R1.1480 CCc1ccc(cc1)C=CC(=O)NCCF 1626a_100000724931_100000187855 [0,2,0,0,0,0|1,0,0]=3 10523 B16R1.1480 CCc1ccc(cc1)C=CC(=O)NCCF 240690a_100000724931_100000187855 [0,2,0,0,0,0|1,0,0]=3 10524 B16R1.1480 CCc1ccc(cc1)C=CC(=O)NCCO 240690a_100000210304_100000187855 [0,2,0,0,0,0|0,0,0]=2 10525 B16R1.1480 CCc1ccc(cc1)CCC(=O)NCCO 240690a_100000210304_100000195522 [0,2,0,0,0,0|0,0,2]=4 10526 B16R1.1480 CCc1ccc(cc1)CCC(=O)NCCO 527a_100000210304_100000195522 [0,2,0,0,0,0|0,0,2]=4 10527 B16R1.1480 CCc1ccc(cc1)CNC(=O)NCCO 2708a_100000721222_100000210304 [0,2,0,0,0,0|1,0,1]=4 10528 B16R1.1480 CCc1ccc(cc1)CNC(=O)NCCO 273464a_100000210304_100000721222 [0,2,0,0,0,0|1,0,1]=4 10529 B16R1.1480 CCc1ccc(cc1)CNC(=O)NCCO 273464a_100000721222_100000210304 [0,2,0,0,0,0|1,0,1]=4 10530 B16R1.1480 CCc1ccc(cc1)CNC(=O)NCCO 512a_100000721222_100000210304 [0,2,0,0,0,0|1,0,1]=4 10531 B16R1.1480 CCc1ccc(cc1)NNC(=O)NCCO 273464a_100000210304_100015204395 [0,2,0,0,0,0|2,0,0]=4 10532 B16R1.1480 CCc1ccc(cc1)OCC(=O)NCCO 240690a_100000210304_100000182499 [0,2,0,0,0,0|1,0,1]=4 10533 B16R1.1480 CCc1ccc(cc1)OCC(=O)NCCO 527a_100000210304_100000182499 [0,2,0,0,0,0|1,0,1]=4 10534 B16R1.1480 COc1ccc(cc1)C=CC(=O)CCCF 1458a_100000184205_100011934791 [0,2,0,0,0,0|2,0,0]=4 10535 B16R1.1480 COc1ccc(cc1)C=CC(=O)CCCO 1458a_100000184205_100011215043 [0,2,0,0,0,0|1,0,0]=3 10536 B16R1.1480 COc1ccc(cc1)C=CC(=O)NCC#N 1626a_100000734998_100000184205 [0,2,0,0,0,0|1,0,1]=4 10537 B16R1.1480 COc1ccc(cc1)C=CC(=O)NCC#N 527a_100000734998_100000184205 [0,2,0,0,0,0|1,0,1]=4 10538 B16R1.1480 COc1ccc(cc1)C=CC(=O)NCCF 11a_100000724931_100000184205 [0,2,0,0,0,0|1,0,0]=3 10539 B16R1.1480 COc1ccc(cc1)C=CC(=O)NCCF 1626a_100000724931_100000184205 [0,2,0,0,0,0|1,0,0]=3 10540 B16R1.1480 COc1ccc(cc1)C=CC(=O)NCCF 527a_100000724931_100000184205 [0,2,0,0,0,0|1,0,0]=3 10541 B16R1.1480 COc1ccc(cc1)C=CC(=O)NCCO 527a_100000210304_100000184205 [0,2,0,0,0,0|0,0,0]=2 10542 B16R1.1480 COc1ccc(cc1)CCC(=O)NCCO 240690a_100000210304_100000211712 [0,2,0,0,0,0|0,0,2]=4 10543 B16R1.1480 COc1ccc(cc1)CCC(=O)NCCO 527a_100000210304_100000211712 [0,2,0,0,0,0|0,0,2]=4 10544 B16R1.1480 COc1ccc(cc1)CNC(=O)NCCO 2708a_100000185587_100000210304 [0,2,0,0,0,0|1,0,1]=4 10545 B16R1.1480 COc1ccc(cc1)CNC(=O)NCCO 273464a_100000185587_100000210304 [0,2,0,0,0,0|1,0,1]=4 10546 B16R1.1480 COc1ccc(cc1)CNC(=O)NCCO 273464a_100000210304_100000185587 [0,2,0,0,0,0|1,0,1]=4 10547 B16R1.1480 COc1ccc(cc1)NNC(=O)NCCO 273464a_100000210304_100000005221 [0,2,0,0,0,0|2,0,0]=4 10548 B16R1.1480 COc1ccc(cc1)OCC(=O)NCCO 240690a_100000210304_100000186439 [0,2,0,0,0,0|1,0,1]=4 10549 B16R1.1480 COc1ccc(cc1)OCC(=O)NCCO 527a_100000210304_100000186439 [0,2,0,0,0,0|1,0,1]=4 10550 B16R1.1480 COc1ccc(cc1)SCC(=O)NCCO 240690a_100000210304_100000182033 [0,2,0,0,0,0|1,0,1]=4 10551 B16R1.1480 COc1ccc(cc1)SCC(=O)NCCO 527a_100000210304_100000182033 [0,2,0,0,0,0|1,0,1]=4 10552 B16R1.1480 CSc1ccc(cc1)C=CC(=O)CCCF 1458a_100102526083_100011934791 [0,2,0,0,0,0|2,0,0]=4 10553 B16R1.1480 CSc1ccc(cc1)C=CC(=O)CCCO 1458a_100102526083_100011215043 [0,2,0,0,0,0|1,0,0]=3 10554 B16R1.1480 CSc1ccc(cc1)C=CC(=O)NCC#N 1626a_100000734998_100102526083 [0,2,0,0,0,0|1,0,1]=4 10555 B16R1.1480 CSc1ccc(cc1)C=CC(=O)NCCF 11a_100000724931_100102526083 [0,2,0,0,0,0|1,0,0]=3 10556 B16R1.1480 CSc1ccc(cc1)C=CC(=O)NCCF 1626a_100000724931_100102526083 [0,2,0,0,0,0|1,0,0]=3 10557 B16R1.1480 CSc1ccc(cc1)C=CC(=O)NCCF 240690a_100000724931_100102526083 [0,2,0,0,0,0|1,0,0]=3 10558 B16R1.1480 CSc1ccc(cc1)C=CC(=O)NCCO 240690a_100000210304_100102526083 [0,2,0,0,0,0|0,0,0]=2 10559 B16R1.1480 CSc1ccc(cc1)CCC(=O)NCCO 240690a_100000210304_100011252364 [0,2,0,0,0,0|0,0,2]=4 10560 B16R1.1480 CSc1ccc(cc1)CCC(=O)NCCO 527a_100000210304_100011252364 [0,2,0,0,0,0|0,0,2]=4 10561 B16R1.1480 CSc1ccc(cc1)CNC(=O)NCCO 2708a_100000174980_100000210304 [0,2,0,0,0,0|1,0,1]=4 10562 B16R1.1480 CSc1ccc(cc1)CNC(=O)NCCO 273464a_100000174980_100000210304 [0,2,0,0,0,0|1,0,1]=4 10563 B16R1.1480 CSc1ccc(cc1)CNC(=O)NCCO 273464a_100000210304_100000174980 [0,2,0,0,0,0|1,0,1]=4 10564 B16R1.1480 CSc1ccc(cc1)CNC(=O)NCCO 512a_100000174980_100000210304 [0,2,0,0,0,0|1,0,1]=4 10565 B16R1.1480 CSc1ccc(cc1)NNC(=O)NCCO 273464a_100000210304_100000006515 [0,2,0,0,0,0|2,0,0]=4 10566 B16R1.1480 CSc1ccc(cc1)OCC(=O)NCCO 62a_200000158804_200000210301 [0,2,0,0,0,0|1,0,1]=4 10567 B16R1.1480 CSc1ccc(cc1)OCC(=O)NCCO 62a_200000210301_200000158804 [0,2,0,0,0,0|1,0,1]=4 10568 B16R1.1480 CSc1ncc(cn1)C=CC(=O)NCCO 240690a_100000210304_200016269794 [0,2,0,0,0,0|2,0,0]=4 10569 B16R1.1480 N#CCNC(=O)C=Cc1ccc(cc1)C#N 1626a_100000734998_100000185084 [0,2,0,0,0,0|1,0,1]=4 10570 B16R1.1480 N#Cc1ccc(cc1)C=CC(=O)CCCF 1458a_100000185084_100011934791 [0,2,0,0,0,0|2,0,0]=4 10571 B16R1.1480 N#Cc1ccc(cc1)C=CC(=O)CCCO 1458a_100000185084_100011215043 [0,2,0,0,0,0|1,0,0]=3 10572 B16R1.1480 N#Cc1ccc(cc1)C=CC(=O)NCCF 11a_100000724931_100000185084 [0,2,0,0,0,0|1,0,0]=3 10573 B16R1.1480 N#Cc1ccc(cc1)C=CC(=O)NCCF 1626a_100000724931_100000185084 [0,2,0,0,0,0|1,0,0]=3 10574 B16R1.1480 N#Cc1ccc(cc1)C=CC(=O)NCCF 240690a_100000724931_100000185084 [0,2,0,0,0,0|1,0,0]=3 10575 B16R1.1480 N#Cc1ccc(cc1)C=CC(=O)NCCO 240690a_100000210304_100000185084 [0,2,0,0,0,0|0,0,0]=2 10576 B16R1.1480 N#Cc1ccc(cc1)CCC(=O)NCCO 240690a_100000210304_100000021948 [0,2,0,0,0,0|0,0,2]=4 10577 B16R1.1480 N#Cc1ccc(cc1)CCC(=O)NCCO 527a_100000210304_100000021948 [0,2,0,0,0,0|0,0,2]=4 10578 B16R1.1480 N#Cc1ccc(cc1)CNC(=O)NCCO 2708a_100015207190_100000210304 [0,2,0,0,0,0|1,0,1]=4 10579 B16R1.1480 N#Cc1ccc(cc1)CNC(=O)NCCO 273464a_100000210304_100015207190 [0,2,0,0,0,0|1,0,1]=4 10580 B16R1.1480 N#Cc1ccc(cc1)CNC(=O)NCCO 273464a_100015207190_100000210304 [0,2,0,0,0,0|1,0,1]=4 10581 B16R1.1480 N#Cc1ccc(cc1)CNC(=O)NCCO 512a_100015207190_100000210304 [0,2,0,0,0,0|1,0,1]=4 10582 B16R1.1480 N#Cc1ccc(cc1)NNC(=O)NCCO 273464a_100000210304_100000739705 [0,2,0,0,0,0|2,0,0]=4 10583 B16R1.1480 N#Cc1ccc(cc1)NNC(=O)NCCO 512a_100000739705_100000210304 [0,2,0,0,0,0|2,0,0]=4 10584 B16R1.1480 N#Cc1ccc(cc1)OCC(=O)NCCO 240690a_100000210304_100000182482 [0,2,0,0,0,0|1,0,1]=4 10585 B16R1.1480 N#Cc1ccc(cc1)OCC(=O)NCCO 527a_100000210304_100000182482 [0,2,0,0,0,0|1,0,1]=4 10586 B16R1.1480 O=C(COc1ccc(cc1)CO)NCCO 240690a_100000210304_100000730898 [0,2,0,0,0,0|1,0,1]=4 10587 B16R1.1480 O=C(NCCO)NCc1ccc(cc1)CO 273464a_100000210304_100015189231 [0,2,0,0,0,0|1,0,1]=4 10588 B16R1.1480 O=C(NCCO)NCc1ccc(cc1)CO 273464a_100015189231_100000210304 [0,2,0,0,0,0|1,0,1]=4 10589 B16R1.1480 [13CH3]Sc1ccc(cc1)OCC(=O)NCCO 62a_200000158804_200025704644 [0,2,0,0,0,0|1,0,1]=4 10590 B16R1.1480 [13CH3]Sc1ccc(cc1)OCC(=O)NCCO 62a_200025704644_200000158804 [0,2,0,0,0,0|1,0,1]=4 10591 B16R1.126 C#CCNC(=O)C(=Cc1ccccc1)C#N 527a_100000212058_100000162679 [0,2,0,0,0,0|1,0,1]=4 10592 B16R1.126 C=CCNC(=O)C(=Cc1ccccc1)C#N 527a_100020586998_100000162679 [0,2,0,0,0,0|1,0,1]=4 10593 B16R1.126 CCC(Oc1ccccc1)C(=O)NCCO 240690a_100000210304_100000211556 [0,2,0,0,0,0|1,0,1]=4 10594 B16R1.126 CCC(Oc1ccccc1)C(=O)NCCO 527a_100000210304_100000211556 [0,2,0,0,0,0|1,0,1]=4 10595 B16R1.126 CCC(Sc1ccccc1)C(=O)NCCO 240690a_100000210304_100000230495 [0,2,0,0,0,0|1,0,1]=4 10596 B16R1.126 CCC(Sc1ccccc1)C(=O)NCCO 527a_100000210304_100000230495 [0,2,0,0,0,0|1,0,1]=4 10597 B16R1.126 CCCCC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_100000210211 [0,2,0,0,0,0|2,0,0]=4 10598 B16R1.126 CCCNC(=O)C(=Cc1ccccc1)C#N 527a_100020643023_100000162679 [0,2,0,0,0,0|1,0,0]=3 10599 B16R1.126 CCN(Cc1ccccc1)C(=O)NCCO 273464a_100000210304_100000186914 [0,2,0,0,0,0|1,0,1]=4 10600 B16R1.126 CCNNC(=O)C(=Cc1ccccc1)C#N 22a_100000756455_100000162679 [0,2,0,0,0,0|2,0,0]=4 10601 B16R1.126 N#CC(=Cc1ccccc1)C(=O)CCCF 1458a_100000162679_100011934791 [0,2,0,0,0,0|2,0,0]=4 10602 B16R1.126 N#CC(=Cc1ccccc1)C(=O)CCCO 1458a_100000162679_100011215043 [0,2,0,0,0,0|1,0,0]=3 10603 B16R1.126 N#CC(=Cc1ccccc1)C(=O)NCCF 527a_100000724931_100000162679 [0,2,0,0,0,0|1,0,0]=3 10604 B16R1.126 N#CC(=Cc1ccccc1)C(=O)NCCO 527a_100000210304_100000162679 [0,2,0,0,0,0|0,0,0]=2 10605 B16R1.126 N#CC(Cc1ccccc1)C(=O)NCCO 240690a_100000210304_100000075392 [0,2,0,0,0,0|0,0,2]=4 10606 B16R1.126 N#CC(Cc1ccccc1)C(=O)NCCO 527a_100000210304_100000075392 [0,2,0,0,0,0|0,0,2]=4 10607 B16R1.126 N#CCNC(=O)C(=Cc1ccccc1)C#N 527a_100000734998_100000162679 [0,2,0,0,0,0|1,0,1]=4 10608 B16R1.945 C#CCN(C)C(=O)/C(=C/c1ccccc1)/C 11a_100000225692_100016990649 [0,2,0,0,0,0|1,0,1]=4 10609 B16R1.945 C#CCN(C)C(=O)/C(=C/c1ccccc1)/C 1626a_100000225692_100016990649 [0,2,0,0,0,0|1,0,1]=4 10610 B16R1.945 C#CCN(C)C(=O)/C(=C/c1ccccc1)/C 527a_100000225692_100016990649 [0,2,0,0,0,0|1,0,1]=4 10611 B16R1.945 C#CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 11a_100000225692_200020598536 [0,2,0,0,0,0|1,0,1]=4 10612 B16R1.945 C#CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 1626a_100000225692_200020598536 [0,2,0,0,0,0|1,0,1]=4 10613 B16R1.945 C#CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 527a_100000225692_200020598536 [0,2,0,0,0,0|1,0,1]=4 10614 B16R1.945 C#CCN(C)C(=O)/C(=C\c1ccccc1)/F 11a_100000225692_100020889036 [0,2,0,0,0,0|1,0,1]=4 10615 B16R1.945 C#CCN(C)C(=O)/C(=C\c1ccccc1)/F 527a_100000225692_100020889036 [0,2,0,0,0,0|1,0,1]=4 10616 B16R1.945 C/C(=C\c1ccccc1)/C(=O)C(C)CCO 1458a_100016990649_100009893172 [0,2,0,0,0,0|1,0,0]=3 10617 B16R1.945 C/C(=C\c1ccccc1)/C(=O)N(C)CC#N 11a_100000748184_100016990649 [0,2,0,0,0,0|1,0,1]=4 10618 B16R1.945 C/C(=C\c1ccccc1)/C(=O)N(C)CC#N 1626a_100000748184_100016990649 [0,2,0,0,0,0|1,0,1]=4 10619 B16R1.945 C/C(=C\c1ccccc1)/C(=O)N(C)CCO 527a_100000210263_100016990649 [0,2,0,0,0,0|0,0,0]=2 10620 B16R1.945 C/C(=C\c1ccccn1)/C(=O)C(C)CCO 1458a_100025712827_100009893172 [0,2,0,0,0,0|2,0,0]=4 10621 B16R1.945 C/C(=C\c1ccccn1)/C(=O)N(C)CCO 527a_100000210263_100025712827 [0,2,0,0,0,0|1,0,0]=3 10622 B16R1.945 C=C(Cc1ccccc1)C(=O)N(C)CCC 11a_100000747261_100000066491 [0,2,0,0,0,0|1,0,1]=4 10623 B16R1.945 C=C(Cc1ccccc1)C(=O)N(C)CCC 1626a_100000747261_100000066491 [0,2,0,0,0,0|1,0,1]=4 10624 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccc1)/C 11a_100000225617_100016990649 [0,2,0,0,0,0|1,0,1]=4 10625 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccc1)/C 1626a_100000225617_100016990649 [0,2,0,0,0,0|1,0,1]=4 10626 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccc1)/C 527a_100000225617_100016990649 [0,2,0,0,0,0|1,0,1]=4 10627 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 11a_100000225617_200020598536 [0,2,0,0,0,0|1,0,1]=4 10628 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 1626a_100000225617_200020598536 [0,2,0,0,0,0|1,0,1]=4 10629 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 240690a_100000225617_200020598536 [0,2,0,0,0,0|1,0,1]=4 10630 B16R1.945 C=CCN(C)C(=O)/C(=C/c1ccccc1)/Cl 527a_100000225617_200020598536 [0,2,0,0,0,0|1,0,1]=4 10631 B16R1.945 C=CCN(C)C(=O)/C(=C\c1ccccc1)/F 11a_100000225617_100020889036 [0,2,0,0,0,0|1,0,1]=4 10632 B16R1.945 C=CCN(C)C(=O)/C(=C\c1ccccc1)/F 527a_100000225617_100020889036 [0,2,0,0,0,0|1,0,1]=4 10633 B16R1.945 CC(CCO)C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100009893172 [0,2,0,0,0,0|1,0,0]=3 10634 B16R1.945 CC(CCO)C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100009893172 [0,2,0,0,0,0|1,0,0]=3 10635 B16R1.945 CC(CCO)C(=O)C(=Cc1cccnc1)F 1458a_100000731744_100009893172 [0,2,0,0,0,0|2,0,0]=4 10636 B16R1.945 CC(CCO)C(=O)C(=O)Nc1ccccc1 1458a_100000738435_100009893172 [0,2,0,0,0,0|2,0,0]=4 10637 B16R1.945 CC(Cc1ccccc1)C(=O)N(C)CCO 240690a_100000210263_100000754839 [0,2,0,0,0,0|0,0,2]=4 10638 B16R1.945 CC(Cc1ccccc1)C(=O)N(C)CCO 527a_100000210263_100000754839 [0,2,0,0,0,0|0,0,2]=4 10639 B16R1.945 CC(Oc1ccccc1)C(=O)N(C)CCO 240690a_100000210263_100000188414 [0,2,0,0,0,0|1,0,1]=4 10640 B16R1.945 CC(Oc1ccccc1)C(=O)N(C)CCO 527a_100000210263_100000188414 [0,2,0,0,0,0|1,0,1]=4 10641 B16R1.945 CC(Sc1ccccc1)C(=O)N(C)CCO 240690a_100000210263_100000199063 [0,2,0,0,0,0|1,0,1]=4 10642 B16R1.945 CC(Sc1ccccc1)C(=O)N(C)CCO 527a_100000210263_100000199063 [0,2,0,0,0,0|1,0,1]=4 10643 B16R1.945 CCCC(C)C(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000766640 [0,2,0,0,0,0|2,0,0]=4 10644 B16R1.945 CCCC(C)C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000766640 [0,2,0,0,0,0|2,0,0]=4 10645 B16R1.945 CCCC(C)C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000766640 [0,2,0,0,0,0|2,0,0]=4 10646 B16R1.945 CCCN(C)C(=O)/C(=C/c1ccccc1)/C 11a_100000747261_100016990649 [0,2,0,0,0,0|1,0,0]=3 10647 B16R1.945 CCCN(C)C(=O)/C(=C/c1ccccc1)/C 1626a_100000747261_100016990649 [0,2,0,0,0,0|1,0,0]=3 10648 B16R1.945 CCCN(C)C(=O)/C(=C/c1ccccc1)/C 527a_100000747261_100016990649 [0,2,0,0,0,0|1,0,0]=3 10649 B16R1.945 CCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 11a_100000747261_200020598536 [0,2,0,0,0,0|1,0,0]=3 10650 B16R1.945 CCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 1626a_100000747261_200020598536 [0,2,0,0,0,0|1,0,0]=3 10651 B16R1.945 CCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 240690a_100000747261_200020598536 [0,2,0,0,0,0|1,0,0]=3 10652 B16R1.945 CCCN(C)C(=O)/C(=C/c1ccccc1)/Cl 527a_100000747261_200020598536 [0,2,0,0,0,0|1,0,0]=3 10653 B16R1.945 CCCN(C)C(=O)/C(=C/c1ccccn1)/C 11a_100000747261_100025712827 [0,2,0,0,0,0|2,0,0]=4 10654 B16R1.945 CCCN(C)C(=O)/C(=C/c1ccccn1)/C 1626a_100000747261_100025712827 [0,2,0,0,0,0|2,0,0]=4 10655 B16R1.945 CCCN(C)C(=O)/C(=C/c1ccccn1)/C 527a_100000747261_100025712827 [0,2,0,0,0,0|2,0,0]=4 10656 B16R1.945 CCCN(C)C(=O)/C(=C\c1ccccc1)/F 11a_100000747261_100020889036 [0,2,0,0,0,0|1,0,0]=3 10657 B16R1.945 CCCN(C)C(=O)/C(=C\c1ccccc1)/F 527a_100000747261_100020889036 [0,2,0,0,0,0|1,0,0]=3 10658 B16R1.945 CCCN(C)C(=O)C(=Cc1cccnc1)F 11a_100000747261_100000731744 [0,2,0,0,0,0|2,0,0]=4 10659 B16R1.945 CCCN(C)C(=O)C(=Cc1cccnc1)F 240690a_100000747261_100000731744 [0,2,0,0,0,0|2,0,0]=4 10660 B16R1.945 CCCN(C)C(=O)C(=Cc1cccnc1)F 527a_100000747261_100000731744 [0,2,0,0,0,0|2,0,0]=4 10661 B16R1.945 CCCN(C)C(=O)C(=O)Nc1ccccc1 240690a_100000747261_100000738435 [0,2,0,0,0,0|2,0,0]=4 10662 B16R1.945 CN(CC#N)C(=O)/C(=C/c1ccccc1)/Cl 11a_100000748184_200020598536 [0,2,0,0,0,0|1,0,1]=4 10663 B16R1.945 CN(CC#N)C(=O)/C(=C/c1ccccc1)/Cl 1626a_100000748184_200020598536 [0,2,0,0,0,0|1,0,1]=4 10664 B16R1.945 CN(CC#N)C(=O)/C(=C\c1ccccc1)/F 11a_100000748184_100020889036 [0,2,0,0,0,0|1,0,1]=4 10665 B16R1.945 CN(CCO)C(=O)/C(=C/c1ccccc1)/Cl 240690a_100000210263_200020598536 [0,2,0,0,0,0|0,0,0]=2 10666 B16R1.945 CN(CCO)C(=O)/C(=C/c1ccccc1)/Cl 527a_100000210263_200020598536 [0,2,0,0,0,0|0,0,0]=2 10667 B16R1.945 CN(CCO)C(=O)/C(=C\c1ccccc1)/F 527a_100000210263_100020889036 [0,2,0,0,0,0|0,0,0]=2 10668 B16R1.945 CN(CCO)C(=O)C(=Cc1cccnc1)F 240690a_100000210263_100000731744 [0,2,0,0,0,0|1,0,0]=3 10669 B16R1.945 CN(CCO)C(=O)C(=Cc1cccnc1)F 527a_100000210263_100000731744 [0,2,0,0,0,0|1,0,0]=3 10670 B16R1.945 CN(CCO)C(=O)C(=O)Nc1ccccc1 240690a_100000210263_100000738435 [0,2,0,0,0,0|1,0,0]=3 10671 B16R1.945 CN(CCO)C(=O)[C@H](O)Cc1ccccc1 240690a_100000210263_100009816399 [0,2,0,0,0,0|0,0,2]=4 10672 B16R1.1127 C#CC(C)NC(=O)/C(=C/c1ccccc1)/C 11a_100000707721_100016990649 [0,2,0,0,0,0|1,0,1]=4 10673 B16R1.1127 C#CC(C)NC(=O)/C(=C/c1ccccc1)/C 1626a_100000707721_100016990649 [0,2,0,0,0,0|1,0,1]=4 10674 B16R1.1127 C#CC(C)NC(=O)/C(=C/c1ccccc1)/C 527a_100000707721_100016990649 [0,2,0,0,0,0|1,0,1]=4 10675 B16R1.1127 C#CC(C)NC(=O)/C(=C/c1ccccc1)/Cl 11a_100000707721_200020598536 [0,2,0,0,0,0|1,0,1]=4 10676 B16R1.1127 C#CC(C)NC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000707721_200020598536 [0,2,0,0,0,0|1,0,1]=4 10677 B16R1.1127 C#CC(C)NC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000707721_200020598536 [0,2,0,0,0,0|1,0,1]=4 10678 B16R1.1127 C#CC(C)NC(=O)/C(=C/c1ccccc1)/Cl 527a_100000707721_200020598536 [0,2,0,0,0,0|1,0,1]=4 10679 B16R1.1127 C#CC(C)NC(=O)/C(=C\c1ccccc1)/F 11a_100000707721_100020889036 [0,2,0,0,0,0|1,0,1]=4 10680 B16R1.1127 C#CC(C)NC(=O)/C(=C\c1ccccc1)/F 527a_100000707721_100020889036 [0,2,0,0,0,0|1,0,1]=4 10681 B16R1.1127 C/C(=C\c1ccccc1)/C(=O)C[C@@H](C)CO 1458a_100016990649_100000059175 [0,2,0,0,0,0|1,0,0]=3 10682 B16R1.1127 C/C(=C\c1ccccc1)/C(=O)NC(C)C#N 11a_100000737613_100016990649 [0,2,0,0,0,0|1,0,1]=4 10683 B16R1.1127 C/C(=C\c1ccccc1)/C(=O)NC(C)C#N 1626a_100000737613_100016990649 [0,2,0,0,0,0|1,0,1]=4 10684 B16R1.1127 C/C(=C\c1ccccc1)/C(=O)NC(C)C#N 527a_100000737613_100016990649 [0,2,0,0,0,0|1,0,1]=4 10685 B16R1.1127 C/C(=C\c1ccccc1)/C(=O)N[C@H](C)CF 11a_100102880703_100016990649 [0,2,0,0,0,0|1,0,0]=3 10686 B16R1.1127 C/C(=C\c1ccccc1)/C(=O)N[C@H](C)CF 1626a_100102880703_100016990649 [0,2,0,0,0,0|1,0,0]=3 10687 B16R1.1127 C/C(=C\c1ccccc1)/C(=O)N[C@H](C)CF 527a_100102880703_100016990649 [0,2,0,0,0,0|1,0,0]=3 10688 B16R1.1127 C/C(=C\c1ccccc1)/C(=O)N[C@H](C)CO 527a_100000737577_100016990649 [0,2,0,0,0,0|0,0,0]=2 10689 B16R1.1127 C/C(=C\c1ccccn1)/C(=O)C[C@@H](C)CO 1458a_100025712827_100000059175 [0,2,0,0,0,0|2,0,0]=4 10690 B16R1.1127 C/C(=C\c1ccccn1)/C(=O)N[C@H](C)CF 11a_100102880703_100025712827 [0,2,0,0,0,0|2,0,0]=4 10691 B16R1.1127 C/C(=C\c1ccccn1)/C(=O)N[C@H](C)CF 1626a_100102880703_100025712827 [0,2,0,0,0,0|2,0,0]=4 10692 B16R1.1127 C/C(=C\c1ccccn1)/C(=O)N[C@H](C)CF 527a_100102880703_100025712827 [0,2,0,0,0,0|2,0,0]=4 10693 B16R1.1127 C/C(=C\c1ccccn1)/C(=O)N[C@H](C)CO 527a_100000737577_100025712827 [0,2,0,0,0,0|1,0,0]=3 10694 B16R1.1127 C=C(Cc1ccccc1)C(=O)NC(C)CC 11a_100000209981_100000066491 [0,2,0,0,0,0|1,0,1]=4 10695 B16R1.1127 C=C(Cc1ccccc1)C(=O)NC(C)CC 1626a_100000209981_100000066491 [0,2,0,0,0,0|1,0,1]=4 10696 B16R1.1127 C=C(Cc1ccccc1)C(=O)N[C@H](C)CF 11a_100102880703_100000066491 [0,2,0,0,0,0|1,0,1]=4 10697 B16R1.1127 C=C(Cc1ccccc1)C(=O)N[C@H](C)CF 1626a_100102880703_100000066491 [0,2,0,0,0,0|1,0,1]=4 10698 B16R1.1127 CC(C#N)NC(=O)/C(=C/c1ccccc1)/Cl 11a_100000737613_200020598536 [0,2,0,0,0,0|1,0,1]=4 10699 B16R1.1127 CC(C#N)NC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000737613_200020598536 [0,2,0,0,0,0|1,0,1]=4 10700 B16R1.1127 CC(C#N)NC(=O)/C(=C/c1ccccc1)/Cl 527a_100000737613_200020598536 [0,2,0,0,0,0|1,0,1]=4 10701 B16R1.1127 CC(C#N)NC(=O)/C(=C\c1ccccc1)/F 11a_100000737613_100020889036 [0,2,0,0,0,0|1,0,1]=4 10702 B16R1.1127 CC(C#N)NC(=O)/C(=C\c1ccccc1)/F 527a_100000737613_100020889036 [0,2,0,0,0,0|1,0,1]=4 10703 B16R1.1127 CC(Cc1ccccc1)C(=O)N[C@H](C)CO 240690a_100000737577_100000754839 [0,2,0,0,0,0|0,0,2]=4 10704 B16R1.1127 CC(Cc1ccccc1)C(=O)N[C@H](C)CO 527a_100000737577_100000754839 [0,2,0,0,0,0|0,0,2]=4 10705 B16R1.1127 CC(Oc1ccccc1)C(=O)N[C@H](C)CO 240690a_100000737577_100000188414 [0,2,0,0,0,0|1,0,1]=4 10706 B16R1.1127 CC(Oc1ccccc1)C(=O)N[C@H](C)CO 527a_100000737577_100000188414 [0,2,0,0,0,0|1,0,1]=4 10707 B16R1.1127 CC(Sc1ccccc1)C(=O)N[C@H](C)CO 240690a_100000737577_100000199063 [0,2,0,0,0,0|1,0,1]=4 10708 B16R1.1127 CC(Sc1ccccc1)C(=O)N[C@H](C)CO 527a_100000737577_100000199063 [0,2,0,0,0,0|1,0,1]=4 10709 B16R1.1127 CCC(C)CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000748023 [0,2,0,0,0,0|2,0,0]=4 10710 B16R1.1127 CCC(C)CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000748023 [0,2,0,0,0,0|2,0,0]=4 10711 B16R1.1127 CCC(C)CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000748023 [0,2,0,0,0,0|2,0,0]=4 10712 B16R1.1127 CCC(C)NC(=O)/C(=C/c1ccccc1)/C 11a_100000209981_100016990649 [0,2,0,0,0,0|1,0,0]=3 10713 B16R1.1127 CCC(C)NC(=O)/C(=C/c1ccccc1)/C 1626a_100000209981_100016990649 [0,2,0,0,0,0|1,0,0]=3 10714 B16R1.1127 CCC(C)NC(=O)/C(=C/c1ccccc1)/C 527a_100000209981_100016990649 [0,2,0,0,0,0|1,0,0]=3 10715 B16R1.1127 CCC(C)NC(=O)/C(=C/c1ccccc1)/Cl 11a_100000209981_200020598536 [0,2,0,0,0,0|1,0,0]=3 10716 B16R1.1127 CCC(C)NC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000209981_200020598536 [0,2,0,0,0,0|1,0,0]=3 10717 B16R1.1127 CCC(C)NC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000209981_200020598536 [0,2,0,0,0,0|1,0,0]=3 10718 B16R1.1127 CCC(C)NC(=O)/C(=C/c1ccccc1)/Cl 527a_100000209981_200020598536 [0,2,0,0,0,0|1,0,0]=3 10719 B16R1.1127 CCC(C)NC(=O)/C(=C/c1ccccn1)/C 11a_100000209981_100025712827 [0,2,0,0,0,0|2,0,0]=4 10720 B16R1.1127 CCC(C)NC(=O)/C(=C/c1ccccn1)/C 1626a_100000209981_100025712827 [0,2,0,0,0,0|2,0,0]=4 10721 B16R1.1127 CCC(C)NC(=O)/C(=C/c1ccccn1)/C 527a_100000209981_100025712827 [0,2,0,0,0,0|2,0,0]=4 10722 B16R1.1127 CCC(C)NC(=O)/C(=C\c1ccccc1)/F 11a_100000209981_100020889036 [0,2,0,0,0,0|1,0,0]=3 10723 B16R1.1127 CCC(C)NC(=O)/C(=C\c1ccccc1)/F 527a_100000209981_100020889036 [0,2,0,0,0,0|1,0,0]=3 10724 B16R1.1127 CCC(C)NC(=O)C(=Cc1cccnc1)F 11a_100000209981_100000731744 [0,2,0,0,0,0|2,0,0]=4 10725 B16R1.1127 CCC(C)NC(=O)C(=Cc1cccnc1)F 240690a_100000209981_100000731744 [0,2,0,0,0,0|2,0,0]=4 10726 B16R1.1127 CCC(C)NC(=O)C(=Cc1cccnc1)F 527a_100000209981_100000731744 [0,2,0,0,0,0|2,0,0]=4 10727 B16R1.1127 CCC(C)NC(=O)C(=O)Cc1ccccc1 1458a_200011297154_100015291786 [0,2,0,0,0,0|1,0,1]=4 10728 B16R1.1127 CCC(C)NC(=O)C(=O)Nc1ccccc1 1626a_100000106764_200011297154 [0,2,0,0,0,0|2,0,0]=4 10729 B16R1.1127 CCC(C)NC(=O)C(=O)Nc1ccccc1 22a_100000106764_200011297154 [0,2,0,0,0,0|2,0,0]=4 10730 B16R1.1127 CCC(C)NC(=O)C(=O)Nc1ccccc1 240690a_100000209981_100000738435 [0,2,0,0,0,0|2,0,0]=4 10731 B16R1.1127 CCC(C)NC(=O)C(=O)Nc1ccccc1 527a_100000106764_200011297154 [0,2,0,0,0,0|2,0,0]=4 10732 B16R1.1127 CCC(O)CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100011218378 [0,2,0,0,0,0|2,0,0]=4 10733 B16R1.1127 CCC(O)CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100011218378 [0,2,0,0,0,0|2,0,0]=4 10734 B16R1.1127 CCC(O)CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100011218378 [0,2,0,0,0,0|2,0,0]=4 10735 B16R1.1127 CC[C@H](C)CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100009816398 [0,2,0,0,0,0|2,0,0]=4 10736 B16R1.1127 CC[C@H](C)CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100009816398 [0,2,0,0,0,0|2,0,0]=4 10737 B16R1.1127 CC[C@H](C)CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100009816398 [0,2,0,0,0,0|2,0,0]=4 10738 B16R1.1127 C[C@@H](CO)CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000059175 [0,2,0,0,0,0|1,0,0]=3 10739 B16R1.1127 C[C@@H](CO)CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000059175 [0,2,0,0,0,0|1,0,0]=3 10740 B16R1.1127 C[C@@H](CO)CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000059175 [0,2,0,0,0,0|2,0,0]=4 10741 B16R1.1127 C[C@@H](CO)CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000059175 [0,2,0,0,0,0|2,0,0]=4 10742 B16R1.1127 C[C@H](CF)NC(=O)/C(=C/c1ccccc1)/Cl 11a_100102880703_200020598536 [0,2,0,0,0,0|1,0,0]=3 10743 B16R1.1127 C[C@H](CF)NC(=O)/C(=C/c1ccccc1)/Cl 1626a_100102880703_200020598536 [0,2,0,0,0,0|1,0,0]=3 10744 B16R1.1127 C[C@H](CF)NC(=O)/C(=C/c1ccccc1)/Cl 240690a_100102880703_200020598536 [0,2,0,0,0,0|1,0,0]=3 10745 B16R1.1127 C[C@H](CF)NC(=O)/C(=C/c1ccccc1)/Cl 527a_100102880703_200020598536 [0,2,0,0,0,0|1,0,0]=3 10746 B16R1.1127 C[C@H](CF)NC(=O)/C(=C\c1ccccc1)/F 11a_100102880703_100020889036 [0,2,0,0,0,0|1,0,0]=3 10747 B16R1.1127 C[C@H](CF)NC(=O)/C(=C\c1ccccc1)/F 527a_100102880703_100020889036 [0,2,0,0,0,0|1,0,0]=3 10748 B16R1.1127 C[C@H](CF)NC(=O)C(=Cc1cccnc1)F 11a_100102880703_100000731744 [0,2,0,0,0,0|2,0,0]=4 10749 B16R1.1127 C[C@H](CF)NC(=O)C(=Cc1cccnc1)F 240690a_100102880703_100000731744 [0,2,0,0,0,0|2,0,0]=4 10750 B16R1.1127 C[C@H](CF)NC(=O)C(=Cc1cccnc1)F 527a_100102880703_100000731744 [0,2,0,0,0,0|2,0,0]=4 10751 B16R1.1127 C[C@H](CF)NC(=O)C(=O)Nc1ccccc1 240690a_100102880703_100000738435 [0,2,0,0,0,0|2,0,0]=4 10752 B16R1.1127 C[C@H](CO)NC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000737577_200020598536 [0,2,0,0,0,0|0,0,0]=2 10753 B16R1.1127 C[C@H](CO)NC(=O)/C(=C/c1ccccc1)/Cl 527a_100000737577_200020598536 [0,2,0,0,0,0|0,0,0]=2 10754 B16R1.1127 C[C@H](CO)NC(=O)/C(=C\c1ccccc1)/F 527a_100000737577_100020889036 [0,2,0,0,0,0|0,0,0]=2 10755 B16R1.1127 C[C@H](CO)NC(=O)C(=Cc1cccnc1)F 240690a_100000737577_100000731744 [0,2,0,0,0,0|1,0,0]=3 10756 B16R1.1127 C[C@H](CO)NC(=O)C(=Cc1cccnc1)F 527a_100000737577_100000731744 [0,2,0,0,0,0|1,0,0]=3 10757 B16R1.1127 C[C@H](CO)NC(=O)C(=O)Nc1ccccc1 240690a_100000737577_100000738435 [0,2,0,0,0,0|1,0,0]=3 10758 B16R1.1127 C[C@H](CO)NC(=O)N(C)Cc1ccccc1 273464a_100000737577_100000186898 [0,2,0,0,0,0|1,0,1]=4 10759 B16R1.1127 C[C@H](CO)NC(=O)[C@H](O)Cc1ccccc1 240690a_100000737577_100009816399 [0,2,0,0,0,0|0,0,2]=4 10760 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)CCC(C)C 1458a_100016990649_100000210312 [0,2,0,0,0,0|2,0,0]=4 10761 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)CCC(C)O 1458a_100016990649_100012276601 [0,2,0,0,0,0|1,0,0]=3 10762 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(=O)N 11a_100000711301_100016990649 [0,2,0,0,0,0|0,0,2]=4 10763 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(=O)N 527a_100000711301_100016990649 [0,2,0,0,0,0|0,0,2]=4 10764 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(C)C 11a_100000210953_100016990649 [0,2,0,0,0,0|1,0,0]=3 10765 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(C)C 1626a_100000210953_100016990649 [0,2,0,0,0,0|1,0,0]=3 10766 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(C)C 527a_100000210953_100016990649 [0,2,0,0,0,0|1,0,0]=3 10767 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(C)O 11a_100000210904_100016990649 [0,2,0,0,0,0|0,0,0]=2 10768 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(C)O 527a_100000210904_100016990649 [0,2,0,0,0,0|0,0,0]=2 10769 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(F)F 11a_100000765723_100016990649 [0,2,0,0,0,0|1,0,0]=3 10770 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(F)F 1626a_100000765723_100016990649 [0,2,0,0,0,0|1,0,0]=3 10771 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NCC(F)F 527a_100000765723_100016990649 [0,2,0,0,0,0|1,0,0]=3 10772 B16R1.1284 C/C(=C\c1ccccc1)/C(=O)NNC(C)C 22a_100000741168_100016990649 [0,2,0,0,0,0|2,0,0]=4 10773 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)CCC(C)O 1458a_100025712827_100012276601 [0,2,0,0,0,0|2,0,0]=4 10774 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)NCC(C)C 11a_100000210953_100025712827 [0,2,0,0,0,0|2,0,0]=4 10775 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)NCC(C)C 1626a_100000210953_100025712827 [0,2,0,0,0,0|2,0,0]=4 10776 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)NCC(C)C 527a_100000210953_100025712827 [0,2,0,0,0,0|2,0,0]=4 10777 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)NCC(C)O 11a_100000210904_100025712827 [0,2,0,0,0,0|1,0,0]=3 10778 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)NCC(C)O 527a_100000210904_100025712827 [0,2,0,0,0,0|1,0,0]=3 10779 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)NCC(F)F 11a_100000765723_100025712827 [0,2,0,0,0,0|2,0,0]=4 10780 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)NCC(F)F 1626a_100000765723_100025712827 [0,2,0,0,0,0|2,0,0]=4 10781 B16R1.1284 C/C(=C\c1ccccn1)/C(=O)NCC(F)F 527a_100000765723_100025712827 [0,2,0,0,0,0|2,0,0]=4 10782 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/C 11a_100000765925_100016990649 [0,2,0,0,0,0|1,0,1]=4 10783 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/C 1626a_100000765925_100016990649 [0,2,0,0,0,0|1,0,1]=4 10784 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/C 527a_100000765925_100016990649 [0,2,0,0,0,0|1,0,1]=4 10785 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000765925_200020598536 [0,2,0,0,0,0|1,0,1]=4 10786 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000765925_200020598536 [0,2,0,0,0,0|1,0,1]=4 10787 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000765925_200020598536 [0,2,0,0,0,0|1,0,1]=4 10788 B16R1.1284 C=C(C)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000765925_200020598536 [0,2,0,0,0,0|1,0,1]=4 10789 B16R1.1284 C=C(C)CNC(=O)/C(=C\c1ccccc1)/F 11a_100000765925_100020889036 [0,2,0,0,0,0|1,0,1]=4 10790 B16R1.1284 C=C(C)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000765925_100020889036 [0,2,0,0,0,0|1,0,1]=4 10791 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(C)C 11a_100000210953_100000066491 [0,2,0,0,0,0|1,0,1]=4 10792 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(C)C 1626a_100000210953_100000066491 [0,2,0,0,0,0|1,0,1]=4 10793 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(C)O 11a_100000210904_100000066491 [0,2,0,0,0,0|0,0,1]=3 10794 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(F)F 11a_100000765723_100000066491 [0,2,0,0,0,0|1,0,1]=4 10795 B16R1.1284 C=C(Cc1ccccc1)C(=O)NCC(F)F 1626a_100000765723_100000066491 [0,2,0,0,0,0|1,0,1]=4 10796 B16R1.1284 CC(C)CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210312 [0,2,0,0,0,0|2,0,0]=4 10797 B16R1.1284 CC(C)CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210312 [0,2,0,0,0,0|2,0,0]=4 10798 B16R1.1284 CC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000210953_200020598536 [0,2,0,0,0,0|1,0,0]=3 10799 B16R1.1284 CC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100000210953_200020598536 [0,2,0,0,0,0|1,0,0]=3 10800 B16R1.1284 CC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000210953_200020598536 [0,2,0,0,0,0|1,0,0]=3 10801 B16R1.1284 CC(C)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000210953_200020598536 [0,2,0,0,0,0|1,0,0]=3 10802 B16R1.1284 CC(C)CNC(=O)/C(=C\c1ccccc1)/F 11a_100000210953_100020889036 [0,2,0,0,0,0|1,0,0]=3 10803 B16R1.1284 CC(C)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000210953_100020889036 [0,2,0,0,0,0|1,0,0]=3 10804 B16R1.1284 CC(C)CNC(=O)C(=Cc1cccnc1)F 11a_100000210953_100000731744 [0,2,0,0,0,0|2,0,0]=4 10805 B16R1.1284 CC(C)CNC(=O)C(=Cc1cccnc1)F 240690a_100000210953_100000731744 [0,2,0,0,0,0|2,0,0]=4 10806 B16R1.1284 CC(C)CNC(=O)C(=Cc1cccnc1)F 527a_100000210953_100000731744 [0,2,0,0,0,0|2,0,0]=4 10807 B16R1.1284 CC(C)CNC(=O)C(=O)Cc1ccccc1 1458a_200011297155_100015291786 [0,2,0,0,0,0|1,0,1]=4 10808 B16R1.1284 CC(C)CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_200011297155 [0,2,0,0,0,0|2,0,0]=4 10809 B16R1.1284 CC(C)CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_200011297155 [0,2,0,0,0,0|2,0,0]=4 10810 B16R1.1284 CC(C)CNC(=O)C(=O)Nc1ccccc1 240690a_100000210953_100000738435 [0,2,0,0,0,0|2,0,0]=4 10811 B16R1.1284 CC(C)CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_200011297155 [0,2,0,0,0,0|2,0,0]=4 10812 B16R1.1284 CC(C)NNC(=O)/C(=C/c1ccccc1)/Cl 22a_100000741168_200020598536 [0,2,0,0,0,0|2,0,0]=4 10813 B16R1.1284 CC(C)NNC(=O)/C(=C\c1ccccc1)/F 22a_100000741168_100020889036 [0,2,0,0,0,0|2,0,0]=4 10814 B16R1.1284 CC(O)CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100012276601 [0,2,0,0,0,0|1,0,0]=3 10815 B16R1.1284 CC(O)CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100012276601 [0,2,0,0,0,0|1,0,0]=3 10816 B16R1.1284 CC(O)CCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100012276601 [0,2,0,0,0,0|2,0,0]=4 10817 B16R1.1284 CC(O)CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100012276601 [0,2,0,0,0,0|2,0,0]=4 10818 B16R1.1284 CC(O)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000210904_200020598536 [0,2,0,0,0,0|0,0,0]=2 10819 B16R1.1284 CC(O)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000210904_200020598536 [0,2,0,0,0,0|0,0,0]=2 10820 B16R1.1284 CC(O)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000210904_200020598536 [0,2,0,0,0,0|0,0,0]=2 10821 B16R1.1284 CC(O)CNC(=O)/C(=C\c1ccccc1)/F 11a_100000210904_100020889036 [0,2,0,0,0,0|0,0,0]=2 10822 B16R1.1284 CC(O)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000210904_100020889036 [0,2,0,0,0,0|0,0,0]=2 10823 B16R1.1284 CC(O)CNC(=O)C(=Cc1cccnc1)F 11a_100000210904_100000731744 [0,2,0,0,0,0|1,0,0]=3 10824 B16R1.1284 CC(O)CNC(=O)C(=Cc1cccnc1)F 240690a_100000210904_100000731744 [0,2,0,0,0,0|1,0,0]=3 10825 B16R1.1284 CC(O)CNC(=O)C(=Cc1cccnc1)F 527a_100000210904_100000731744 [0,2,0,0,0,0|1,0,0]=3 10826 B16R1.1284 CC(O)CNC(=O)C(=O)Nc1ccccc1 240690a_100000210904_100000738435 [0,2,0,0,0,0|1,0,0]=3 10827 B16R1.1284 CC(O)CNC(=O)C(C)Cc1ccccc1 11a_100000210904_100000754839 [0,2,0,0,0,0|0,0,2]=4 10828 B16R1.1284 CC(O)CNC(=O)C(C)Cc1ccccc1 240690a_100000210904_100000754839 [0,2,0,0,0,0|0,0,2]=4 10829 B16R1.1284 CC(O)CNC(=O)C(C)Cc1ccccc1 527a_100000210904_100000754839 [0,2,0,0,0,0|0,0,2]=4 10830 B16R1.1284 CC(O)CNC(=O)C(C)Oc1ccccc1 11a_100000210904_100000188414 [0,2,0,0,0,0|1,0,1]=4 10831 B16R1.1284 CC(O)CNC(=O)C(C)Oc1ccccc1 240690a_100000210904_100000188414 [0,2,0,0,0,0|1,0,1]=4 10832 B16R1.1284 CC(O)CNC(=O)C(C)Oc1ccccc1 527a_100000210904_100000188414 [0,2,0,0,0,0|1,0,1]=4 10833 B16R1.1284 CC(O)CNC(=O)C(C)Sc1ccccc1 11a_100000210904_100000199063 [0,2,0,0,0,0|1,0,1]=4 10834 B16R1.1284 CC(O)CNC(=O)C(C)Sc1ccccc1 240690a_100000210904_100000199063 [0,2,0,0,0,0|1,0,1]=4 10835 B16R1.1284 CC(O)CNC(=O)C(C)Sc1ccccc1 527a_100000210904_100000199063 [0,2,0,0,0,0|1,0,1]=4 10836 B16R1.1284 CC(O)CNC(=O)N(C)Cc1ccccc1 273464a_100000210904_100000186898 [0,2,0,0,0,0|1,0,1]=4 10837 B16R1.1284 CC(O)CNC(=O)[C@H](O)Cc1ccccc1 240690a_100000210904_100009816399 [0,2,0,0,0,0|0,0,2]=4 10838 B16R1.1284 NC(=O)CNC(=O)/C(=C/c1ccccc1)/Cl 11a_100000711301_200020598536 [0,2,0,0,0,0|0,0,2]=4 10839 B16R1.1284 NC(=O)CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100000711301_200020598536 [0,2,0,0,0,0|0,0,2]=4 10840 B16R1.1284 NC(=O)CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100000711301_200020598536 [0,2,0,0,0,0|0,0,2]=4 10841 B16R1.1284 NC(=O)CNC(=O)/C(=C\c1ccccc1)/F 11a_100000711301_100020889036 [0,2,0,0,0,0|0,0,2]=4 10842 B16R1.1284 NC(=O)CNC(=O)/C(=C\c1ccccc1)/F 527a_100000711301_100020889036 [0,2,0,0,0,0|0,0,2]=4 10843 B16R1.1284 O=C(NCC(F)F)/C(=C/c1ccccc1)/Cl 11a_100000765723_200020598536 [0,2,0,0,0,0|1,0,0]=3 10844 B16R1.1284 O=C(NCC(F)F)/C(=C/c1ccccc1)/Cl 1626a_100000765723_200020598536 [0,2,0,0,0,0|1,0,0]=3 10845 B16R1.1284 O=C(NCC(F)F)/C(=C/c1ccccc1)/Cl 240690a_100000765723_200020598536 [0,2,0,0,0,0|1,0,0]=3 10846 B16R1.1284 O=C(NCC(F)F)/C(=C/c1ccccc1)/Cl 527a_100000765723_200020598536 [0,2,0,0,0,0|1,0,0]=3 10847 B16R1.1284 O=C(NCC(F)F)/C(=C\c1ccccc1)/F 11a_100000765723_100020889036 [0,2,0,0,0,0|1,0,0]=3 10848 B16R1.1284 O=C(NCC(F)F)/C(=C\c1ccccc1)/F 527a_100000765723_100020889036 [0,2,0,0,0,0|1,0,0]=3 10849 B16R1.1284 O=C(NCC(F)F)C(=Cc1cccnc1)F 11a_100000765723_100000731744 [0,2,0,0,0,0|2,0,0]=4 10850 B16R1.1284 O=C(NCC(F)F)C(=Cc1cccnc1)F 240690a_100000765723_100000731744 [0,2,0,0,0,0|2,0,0]=4 10851 B16R1.1284 O=C(NCC(F)F)C(=Cc1cccnc1)F 527a_100000765723_100000731744 [0,2,0,0,0,0|2,0,0]=4 10852 B16R1.1284 O=C(NCC(F)F)C(=O)Nc1ccccc1 240690a_100000765723_100000738435 [0,2,0,0,0,0|2,0,0]=4 10853 B16R1.1793 CC(C)(Cc1ccccc1)C(=O)NCCO 240690a_100000210304_100000757416 [0,2,0,0,0,0|0,0,2]=4 10854 B16R1.1793 CC(C)(Cc1ccccc1)C(=O)NCCO 527a_100000210304_100000757416 [0,2,0,0,0,0|0,0,2]=4 10855 B16R1.1793 CC(C)(Oc1ccccc1)C(=O)NCCO 240690a_100000210304_100000743201 [0,2,0,0,0,0|1,0,1]=4 10856 B16R1.1793 CC(C)(Oc1ccccc1)C(=O)NCCO 527a_100000210304_100000743201 [0,2,0,0,0,0|1,0,1]=4 10857 B16R1.7523 C#CCNC(=O)C(=Cc1ccccc1Cl)C 11a_100000212058_100000693296 [0,2,0,0,0,0|1,0,1]=4 10858 B16R1.7523 C#CCNC(=O)C(=Cc1ccccc1Cl)C 1626a_100000212058_100000693296 [0,2,0,0,0,0|1,0,1]=4 10859 B16R1.7523 C#CCNC(=O)C(=Cc1ccccc1Cl)C 240690a_100000212058_100000693296 [0,2,0,0,0,0|1,0,1]=4 10860 B16R1.7523 C#CCNC(=O)C(=Cc1ccccc1Cl)C 527a_100000212058_100000693296 [0,2,0,0,0,0|1,0,1]=4 10861 B16R1.7523 C=CCNC(=O)C(=Cc1ccccc1Cl)C 1626a_100020586998_100000693296 [0,2,0,0,0,0|1,0,1]=4 10862 B16R1.7523 C=CCNC(=O)C(=Cc1ccccc1Cl)C 240690a_100020586998_100000693296 [0,2,0,0,0,0|1,0,1]=4 10863 B16R1.7523 C=CCNC(=O)C(=Cc1ccccc1Cl)C 527a_100020586998_100000693296 [0,2,0,0,0,0|1,0,1]=4 10864 B16R1.7523 CC(=Cc1ccccc1Cl)C(=O)CCCF 1458a_100000693296_100011934791 [0,2,0,0,0,0|2,0,0]=4 10865 B16R1.7523 CC(=Cc1ccccc1Cl)C(=O)CCCO 1458a_100000693296_100011215043 [0,2,0,0,0,0|1,0,0]=3 10866 B16R1.7523 CC(=Cc1ccccc1Cl)C(=O)NCC#N 1626a_100000734998_100000693296 [0,2,0,0,0,0|1,0,1]=4 10867 B16R1.7523 CC(=Cc1ccccc1Cl)C(=O)NCC#N 527a_100000734998_100000693296 [0,2,0,0,0,0|1,0,1]=4 10868 B16R1.7523 CC(=Cc1ccccc1Cl)C(=O)NCCF 11a_100000724931_100000693296 [0,2,0,0,0,0|1,0,0]=3 10869 B16R1.7523 CC(=Cc1ccccc1Cl)C(=O)NCCF 1626a_100000724931_100000693296 [0,2,0,0,0,0|1,0,0]=3 10870 B16R1.7523 CC(=Cc1ccccc1Cl)C(=O)NCCF 240690a_100000724931_100000693296 [0,2,0,0,0,0|1,0,0]=3 10871 B16R1.7523 CC(=Cc1ccccc1Cl)C(=O)NCCF 527a_100000724931_100000693296 [0,2,0,0,0,0|1,0,0]=3 10872 B16R1.7523 CC(=Cc1ccccc1Cl)C(=O)NCCO 240690a_100000210304_100000693296 [0,2,0,0,0,0|0,0,0]=2 10873 B16R1.7523 CC(=Cc1ccccc1Cl)C(=O)NCCO 527a_100000210304_100000693296 [0,2,0,0,0,0|0,0,0]=2 10874 B16R1.7523 CC(Oc1ccccc1Br)C(=O)NCCO 240690a_100000210304_100000246065 [0,2,0,0,0,0|1,0,1]=4 10875 B16R1.7523 CC(Oc1ccccc1Br)C(=O)NCCO 527a_100000210304_100000246065 [0,2,0,0,0,0|1,0,1]=4 10876 B16R1.7523 CC(Oc1ccccc1Cl)C(=O)NCCO 240690a_100000210304_100000191201 [0,2,0,0,0,0|1,0,1]=4 10877 B16R1.7523 CC(Oc1ccccc1Cl)C(=O)NCCO 527a_100000210304_100000191201 [0,2,0,0,0,0|1,0,1]=4 10878 B16R1.7523 CC(Oc1ccccc1F)C(=O)NCCO 240690a_100000210304_100000191191 [0,2,0,0,0,0|1,0,1]=4 10879 B16R1.7523 CC(Oc1ccccc1F)C(=O)NCCO 527a_100000210304_100000191191 [0,2,0,0,0,0|1,0,1]=4 10880 B16R1.7523 CC(Sc1ccccc1Cl)C(=O)NCCO 240690a_100000210304_100000181065 [0,2,0,0,0,0|1,0,1]=4 10881 B16R1.7523 CC(Sc1ccccc1Cl)C(=O)NCCO 527a_100000210304_100000181065 [0,2,0,0,0,0|1,0,1]=4 10882 B16R1.7523 CCCCC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_100000210211 [0,2,0,0,0,0|2,0,0]=4 10883 B16R1.7523 CCCNC(=O)C(=Cc1ccccc1Cl)C 11a_100020643023_100000693296 [0,2,0,0,0,0|1,0,0]=3 10884 B16R1.7523 CCCNC(=O)C(=Cc1ccccc1Cl)C 1626a_100020643023_100000693296 [0,2,0,0,0,0|1,0,0]=3 10885 B16R1.7523 CCCNC(=O)C(=Cc1ccccc1Cl)C 240690a_100020643023_100000693296 [0,2,0,0,0,0|1,0,0]=3 10886 B16R1.7523 CCCNC(=O)C(=Cc1ccccc1Cl)C 527a_100020643023_100000693296 [0,2,0,0,0,0|1,0,0]=3 10887 B16R1.7523 CCCNC(=O)C(=O)Cc1ccccc1Br 1458a_200011297150_100000184730 [0,2,0,0,0,0|1,0,1]=4 10888 B16R1.7523 CCCNC(=O)C(=O)Cc1ccccc1C 1458a_200011297150_100000211839 [0,2,0,0,0,0|1,0,1]=4 10889 B16R1.7523 CCCNC(=O)C(=O)Cc1ccccc1Cl 1458a_200011297150_100000187162 [0,2,0,0,0,0|1,0,1]=4 10890 B16R1.7523 CCCNC(=O)C(=O)Cc1ccccc1F 1458a_200011297150_100000187165 [0,2,0,0,0,0|1,0,1]=4 10891 B16R1.7523 CCCNC(=O)C(=O)Cc1ccccc1I 1458a_200011297150_100011216222 [0,2,0,0,0,0|1,0,1]=4 10892 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1Br 1626a_100000210017_200011297150 [0,2,0,0,0,0|2,0,0]=4 10893 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1C 1626a_100015192222_200011297150 [0,2,0,0,0,0|2,0,0]=4 10894 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1C 22a_100015192222_200011297150 [0,2,0,0,0,0|2,0,0]=4 10895 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1C 240690a_100020643023_200011297352 [0,2,0,0,0,0|2,0,0]=4 10896 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1C 527a_100015192222_200011297150 [0,2,0,0,0,0|2,0,0]=4 10897 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1Cl 1626a_100000185783_200011297150 [0,2,0,0,0,0|2,0,0]=4 10898 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1Cl 22a_100000185783_200011297150 [0,2,0,0,0,0|2,0,0]=4 10899 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1Cl 240690a_100020643023_200011297307 [0,2,0,0,0,0|2,0,0]=4 10900 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1Cl 527a_100000185783_200011297150 [0,2,0,0,0,0|2,0,0]=4 10901 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1F 1626a_100000210422_200011297150 [0,2,0,0,0,0|2,0,0]=4 10902 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1F 22a_100000210422_200011297150 [0,2,0,0,0,0|2,0,0]=4 10903 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1F 240690a_100020643023_200011297310 [0,2,0,0,0,0|2,0,0]=4 10904 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1F 527a_100000210422_200011297150 [0,2,0,0,0,0|2,0,0]=4 10905 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1I 1626a_100000210053_200011297150 [0,2,0,0,0,0|2,0,0]=4 10906 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1O 22a_100000185747_200011297150 [0,2,0,0,0,0|2,0,0]=4 10907 B16R1.7523 CCCNC(=O)C(=O)Nc1ccccc1O 527a_100000185747_200011297150 [0,2,0,0,0,0|2,0,0]=4 10908 B16R1.7523 CCNNC(=O)C(=Cc1ccccc1Cl)C 22a_100000756455_100000693296 [0,2,0,0,0,0|2,0,0]=4 10909 B16R1.7523 CN(Cc1ccccc1Br)C(=O)NCCO 273464a_100000210304_100000184654 [0,2,0,0,0,0|1,0,1]=4 10910 B16R1.7523 CN(Cc1ccccc1Cl)C(=O)NCCO 273464a_100000210304_100000184507 [0,2,0,0,0,0|1,0,1]=4 10911 B16R1.7523 CN(Cc1ccccc1F)C(=O)NCCO 273464a_100000210304_100000742528 [0,2,0,0,0,0|1,0,1]=4 10912 B16R1.7523 CN(Cc1ccccc1O)C(=O)NCCO 273464a_100000210304_100015189988 [0,2,0,0,0,0|1,0,1]=4 10913 B16R1.7523 Cc1ccccc1CN(C)C(=O)NCCO 273464a_100000210304_100000184421 [0,2,0,0,0,0|1,0,1]=4 10914 B16R1.7523 Cc1ccccc1NC(=O)C(=O)CCCO 1458a_200011297352_100011215043 [0,2,0,0,0,0|2,0,0]=4 10915 B16R1.7523 Cc1ccccc1NC(=O)C(=O)NCCF 240690a_100000724931_200011297352 [0,2,0,0,0,0|2,0,0]=4 10916 B16R1.7523 Cc1ccccc1NC(=O)C(=O)NCCO 240690a_100000210304_200011297352 [0,2,0,0,0,0|1,0,0]=3 10917 B16R1.7523 Cc1ccccc1OC(C)C(=O)NCCO 240690a_100000210304_100000189243 [0,2,0,0,0,0|1,0,1]=4 10918 B16R1.7523 Cc1ccccc1OC(C)C(=O)NCCO 527a_100000210304_100000189243 [0,2,0,0,0,0|1,0,1]=4 10919 B16R1.7523 O=C(CCCO)C(=O)Nc1ccccc1F 1458a_200011297310_100011215043 [0,2,0,0,0,0|2,0,0]=4 10920 B16R1.7523 O=C(NCCF)C(=O)Nc1ccccc1Cl 240690a_100000724931_200011297307 [0,2,0,0,0,0|2,0,0]=4 10921 B16R1.7523 O=C(NCCF)C(=O)Nc1ccccc1F 240690a_100000724931_200011297310 [0,2,0,0,0,0|2,0,0]=4 10922 B16R1.7523 O=C(NCCO)C(=O)Nc1ccccc1Cl 240690a_100000210304_200011297307 [0,2,0,0,0,0|1,0,0]=3 10923 B16R1.7523 O=C(NCCO)C(=O)Nc1ccccc1F 240690a_100000210304_200011297310 [0,2,0,0,0,0|1,0,0]=3 10924 B16R1.7523 O=C(NCCO)C(O)Cc1ccccc1Br 240690a_100000210304_100012382637 [0,2,0,0,0,0|0,0,2]=4 10925 B16R1.7523 O=C(NCCO)C(O)Cc1ccccc1Cl 240690a_100000210304_100000703902 [0,2,0,0,0,0|0,0,2]=4 10926 B16R1.7523 O=C(NCCO)C(O)Cc1ccccc1Cl 527a_100000210304_100000703902 [0,2,0,0,0,0|0,0,2]=4 10927 B16R1.853 C#CC(C)NC(=O)C=Cc1ccccc1Br 11a_100000707721_100000719032 [0,2,0,0,0,0|1,0,1]=4 10928 B16R1.853 C#CC(C)NC(=O)C=Cc1ccccc1Br 1626a_100000707721_100000719032 [0,2,0,0,0,0|1,0,1]=4 10929 B16R1.853 C#CC(C)NC(=O)C=Cc1ccccc1Br 240690a_100000707721_100000719032 [0,2,0,0,0,0|1,0,1]=4 10930 B16R1.853 C#CC(C)NC(=O)C=Cc1ccccc1C 1626a_100000707721_100016266485 [0,2,0,0,0,0|1,0,1]=4 10931 B16R1.853 C#CC(C)NC(=O)C=Cc1ccccc1Cl 11a_100000707721_100000720304 [0,2,0,0,0,0|1,0,1]=4 10932 B16R1.853 C#CC(C)NC(=O)C=Cc1ccccc1Cl 1626a_100000707721_100000720304 [0,2,0,0,0,0|1,0,1]=4 10933 B16R1.853 C#CC(C)NC(=O)C=Cc1ccccc1Cl 240690a_100000707721_100000720304 [0,2,0,0,0,0|1,0,1]=4 10934 B16R1.853 C#CC(C)NC(=O)C=Cc1ccccc1F 11a_100000707721_100016256065 [0,2,0,0,0,0|1,0,1]=4 10935 B16R1.853 C#CC(C)NC(=O)C=Cc1ccccc1F 1626a_100000707721_100016256065 [0,2,0,0,0,0|1,0,1]=4 10936 B16R1.853 C#CC(C)NC(=O)C=Cc1ccccc1F 240690a_100000707721_100016256065 [0,2,0,0,0,0|1,0,1]=4 10937 B16R1.853 CC(C#N)NC(=O)C=Cc1ccccc1Br 11a_100000737613_100000719032 [0,2,0,0,0,0|1,0,1]=4 10938 B16R1.853 CC(C#N)NC(=O)C=Cc1ccccc1Br 1626a_100000737613_100000719032 [0,2,0,0,0,0|1,0,1]=4 10939 B16R1.853 CC(C#N)NC(=O)C=Cc1ccccc1Cl 11a_100000737613_100000720304 [0,2,0,0,0,0|1,0,1]=4 10940 B16R1.853 CC(C#N)NC(=O)C=Cc1ccccc1Cl 1626a_100000737613_100000720304 [0,2,0,0,0,0|1,0,1]=4 10941 B16R1.853 CC(C#N)NC(=O)C=Cc1ccccc1F 11a_100000737613_100016256065 [0,2,0,0,0,0|1,0,1]=4 10942 B16R1.853 CC(C#N)NC(=O)C=Cc1ccccc1F 1626a_100000737613_100016256065 [0,2,0,0,0,0|1,0,1]=4 10943 B16R1.853 CCC(C)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000748023 [0,2,0,0,0,0|2,0,0]=4 10944 B16R1.853 CCC(C)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000748023 [0,2,0,0,0,0|2,0,0]=4 10945 B16R1.853 CCC(C)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100000748023 [0,2,0,0,0,0|2,0,0]=4 10946 B16R1.853 CCC(C)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000748023 [0,2,0,0,0,0|2,0,0]=4 10947 B16R1.853 CCC(C)NC(=O)C=Cc1ccccc1Br 11a_100000209981_100000719032 [0,2,0,0,0,0|1,0,0]=3 10948 B16R1.853 CCC(C)NC(=O)C=Cc1ccccc1Br 1626a_100000209981_100000719032 [0,2,0,0,0,0|1,0,0]=3 10949 B16R1.853 CCC(C)NC(=O)C=Cc1ccccc1Br 240690a_100000209981_100000719032 [0,2,0,0,0,0|1,0,0]=3 10950 B16R1.853 CCC(C)NC(=O)C=Cc1ccccc1C 1626a_100000209981_100016266485 [0,2,0,0,0,0|1,0,0]=3 10951 B16R1.853 CCC(C)NC(=O)C=Cc1ccccc1Cl 11a_100000209981_100000720304 [0,2,0,0,0,0|1,0,0]=3 10952 B16R1.853 CCC(C)NC(=O)C=Cc1ccccc1Cl 1626a_100000209981_100000720304 [0,2,0,0,0,0|1,0,0]=3 10953 B16R1.853 CCC(C)NC(=O)C=Cc1ccccc1Cl 240690a_100000209981_100000720304 [0,2,0,0,0,0|1,0,0]=3 10954 B16R1.853 CCC(C)NC(=O)C=Cc1ccccc1F 11a_100000209981_100016256065 [0,2,0,0,0,0|1,0,0]=3 10955 B16R1.853 CCC(C)NC(=O)C=Cc1ccccc1F 1626a_100000209981_100016256065 [0,2,0,0,0,0|1,0,0]=3 10956 B16R1.853 CCC(C)NC(=O)C=Cc1ccccc1F 240690a_100000209981_100016256065 [0,2,0,0,0,0|1,0,0]=3 10957 B16R1.853 CCC(O)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100011218378 [0,2,0,0,0,0|2,0,0]=4 10958 B16R1.853 CCC(O)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100011218378 [0,2,0,0,0,0|2,0,0]=4 10959 B16R1.853 CCC(O)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100011218378 [0,2,0,0,0,0|2,0,0]=4 10960 B16R1.853 CCC(O)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100011218378 [0,2,0,0,0,0|2,0,0]=4 10961 B16R1.853 CC[C@H](C)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100009816398 [0,2,0,0,0,0|2,0,0]=4 10962 B16R1.853 CC[C@H](C)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100009816398 [0,2,0,0,0,0|2,0,0]=4 10963 B16R1.853 CC[C@H](C)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100009816398 [0,2,0,0,0,0|2,0,0]=4 10964 B16R1.853 CC[C@H](C)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100009816398 [0,2,0,0,0,0|2,0,0]=4 10965 B16R1.853 C[C@@H](CO)CC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000059175 [0,2,0,0,0,0|1,0,0]=3 10966 B16R1.853 C[C@@H](CO)CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000059175 [0,2,0,0,0,0|1,0,0]=3 10967 B16R1.853 C[C@@H](CO)CC(=O)C=Cc1ccccc1F 1458a_100016256065_100000059175 [0,2,0,0,0,0|1,0,0]=3 10968 B16R1.853 C[C@@H](CO)CC(=O)C=Cc1ccccc1O 1458a_100016263591_100000059175 [0,2,0,0,0,0|1,0,0]=3 10969 B16R1.853 C[C@H](CF)NC(=O)C=Cc1ccccc1Br 11a_100102880703_100000719032 [0,2,0,0,0,0|1,0,0]=3 10970 B16R1.853 C[C@H](CF)NC(=O)C=Cc1ccccc1Br 1626a_100102880703_100000719032 [0,2,0,0,0,0|1,0,0]=3 10971 B16R1.853 C[C@H](CF)NC(=O)C=Cc1ccccc1Br 240690a_100102880703_100000719032 [0,2,0,0,0,0|1,0,0]=3 10972 B16R1.853 C[C@H](CF)NC(=O)C=Cc1ccccc1Cl 11a_100102880703_100000720304 [0,2,0,0,0,0|1,0,0]=3 10973 B16R1.853 C[C@H](CF)NC(=O)C=Cc1ccccc1Cl 1626a_100102880703_100000720304 [0,2,0,0,0,0|1,0,0]=3 10974 B16R1.853 C[C@H](CF)NC(=O)C=Cc1ccccc1Cl 240690a_100102880703_100000720304 [0,2,0,0,0,0|1,0,0]=3 10975 B16R1.853 C[C@H](CF)NC(=O)C=Cc1ccccc1F 11a_100102880703_100016256065 [0,2,0,0,0,0|1,0,0]=3 10976 B16R1.853 C[C@H](CF)NC(=O)C=Cc1ccccc1F 1626a_100102880703_100016256065 [0,2,0,0,0,0|1,0,0]=3 10977 B16R1.853 C[C@H](CF)NC(=O)C=Cc1ccccc1F 240690a_100102880703_100016256065 [0,2,0,0,0,0|1,0,0]=3 10978 B16R1.853 C[C@H](CO)NC(=O)C=Cc1ccccc1Br 240690a_100000737577_100000719032 [0,2,0,0,0,0|0,0,0]=2 10979 B16R1.853 C[C@H](CO)NC(=O)C=Cc1ccccc1Cl 240690a_100000737577_100000720304 [0,2,0,0,0,0|0,0,0]=2 10980 B16R1.853 C[C@H](CO)NC(=O)C=Cc1ccccc1F 240690a_100000737577_100016256065 [0,2,0,0,0,0|0,0,0]=2 10981 B16R1.853 C[C@H](CO)NC(=O)CCc1ccccc1Br 240690a_100000737577_100000740810 [0,2,0,0,0,0|0,0,2]=4 10982 B16R1.853 C[C@H](CO)NC(=O)CCc1ccccc1Br 527a_100000737577_100000740810 [0,2,0,0,0,0|0,0,2]=4 10983 B16R1.853 C[C@H](CO)NC(=O)CCc1ccccc1Cl 240690a_100000737577_100000184300 [0,2,0,0,0,0|0,0,2]=4 10984 B16R1.853 C[C@H](CO)NC(=O)CCc1ccccc1Cl 527a_100000737577_100000184300 [0,2,0,0,0,0|0,0,2]=4 10985 B16R1.853 C[C@H](CO)NC(=O)CCc1ccccc1F 240690a_100000737577_100000189703 [0,2,0,0,0,0|0,0,2]=4 10986 B16R1.853 C[C@H](CO)NC(=O)CCc1ccccc1F 527a_100000737577_100000189703 [0,2,0,0,0,0|0,0,2]=4 10987 B16R1.853 C[C@H](CO)NC(=O)CCc1ccccc1I 240690a_100000737577_100000037306 [0,2,0,0,0,0|0,0,2]=4 10988 B16R1.853 C[C@H](CO)NC(=O)CCc1ccccc1I 527a_100000737577_100000037306 [0,2,0,0,0,0|0,0,2]=4 10989 B16R1.853 C[C@H](CO)NC(=O)CCc1ccccc1O 240690a_100000737577_100000181328 [0,2,0,0,0,0|0,0,2]=4 10990 B16R1.853 C[C@H](CO)NC(=O)CCc1ccccc1O 527a_100000737577_100000181328 [0,2,0,0,0,0|0,0,2]=4 10991 B16R1.853 C[C@H](CO)NC(=O)COc1ccccc1Br 240690a_100000737577_100000216496 [0,2,0,0,0,0|1,0,1]=4 10992 B16R1.853 C[C@H](CO)NC(=O)COc1ccccc1Br 527a_100000737577_100000216496 [0,2,0,0,0,0|1,0,1]=4 10993 B16R1.853 C[C@H](CO)NC(=O)COc1ccccc1Cl 240690a_100000737577_100000185159 [0,2,0,0,0,0|1,0,1]=4 10994 B16R1.853 C[C@H](CO)NC(=O)COc1ccccc1Cl 527a_100000737577_100000185159 [0,2,0,0,0,0|1,0,1]=4 10995 B16R1.853 C[C@H](CO)NC(=O)COc1ccccc1F 240690a_100000737577_100000182486 [0,2,0,0,0,0|1,0,1]=4 10996 B16R1.853 C[C@H](CO)NC(=O)COc1ccccc1F 527a_100000737577_100000182486 [0,2,0,0,0,0|1,0,1]=4 10997 B16R1.853 C[C@H](CO)NC(=O)COc1ccccc1O 240690a_100000737577_100000183020 [0,2,0,0,0,0|1,0,1]=4 10998 B16R1.853 C[C@H](CO)NC(=O)COc1ccccc1O 527a_100000737577_100000183020 [0,2,0,0,0,0|1,0,1]=4 10999 B16R1.853 C[C@H](CO)NC(=O)CSc1ccccc1F 240690a_100000737577_100000179528 [0,2,0,0,0,0|1,0,1]=4 11000 B16R1.853 C[C@H](CO)NC(=O)CSc1ccccc1O 240690a_100000737577_100000695322 [0,2,0,0,0,0|1,0,1]=4 11001 B16R1.853 C[C@H](CO)NC(=O)CSc1ccccc1O 527a_100000737577_100000695322 [0,2,0,0,0,0|1,0,1]=4 11002 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1Br 2708a_100000689332_100000737577 [0,2,0,0,0,0|1,0,1]=4 11003 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1Br 273464a_100000737577_100000689332 [0,2,0,0,0,0|1,0,1]=4 11004 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1Br 512a_100000689332_100000737577 [0,2,0,0,0,0|1,0,1]=4 11005 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1Br 512a_100000737577_100000689332 [0,2,0,0,0,0|1,0,1]=4 11006 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1Cl 2708a_100000174879_100000737577 [0,2,0,0,0,0|1,0,1]=4 11007 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1Cl 273464a_100000737577_100000174879 [0,2,0,0,0,0|1,0,1]=4 11008 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1Cl 512a_100000737577_100000174879 [0,2,0,0,0,0|1,0,1]=4 11009 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1F 2708a_100000174869_100000737577 [0,2,0,0,0,0|1,0,1]=4 11010 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1F 273464a_100000737577_100000174869 [0,2,0,0,0,0|1,0,1]=4 11011 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1F 512a_100000174869_100000737577 [0,2,0,0,0,0|1,0,1]=4 11012 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1F 512a_100000737577_100000174869 [0,2,0,0,0,0|1,0,1]=4 11013 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1I 2708a_100015347259_100000737577 [0,2,0,0,0,0|1,0,1]=4 11014 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1I 273464a_100000737577_100015347259 [0,2,0,0,0,0|1,0,1]=4 11015 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1I 512a_100000737577_100015347259 [0,2,0,0,0,0|1,0,1]=4 11016 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1I 512a_100015347259_100000737577 [0,2,0,0,0,0|1,0,1]=4 11017 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1O 2708a_100000185550_100000737577 [0,2,0,0,0,0|1,0,1]=4 11018 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1O 273464a_100000737577_100000185550 [0,2,0,0,0,0|1,0,1]=4 11019 B16R1.853 C[C@H](CO)NC(=O)NCc1ccccc1O 512a_100000185550_100000737577 [0,2,0,0,0,0|1,0,1]=4 11020 B16R1.853 C[C@H](CO)NC(=O)NNc1ccccc1Br 273464a_100000737577_100000241748 [0,2,0,0,0,0|2,0,0]=4 11021 B16R1.853 C[C@H](CO)NC(=O)NNc1ccccc1Br 512a_100000737577_100000241748 [0,2,0,0,0,0|2,0,0]=4 11022 B16R1.853 C[C@H](CO)NC(=O)NNc1ccccc1Cl 273464a_100000737577_100000683529 [0,2,0,0,0,0|2,0,0]=4 11023 B16R1.853 C[C@H](CO)NC(=O)NNc1ccccc1Cl 512a_100000737577_100000683529 [0,2,0,0,0,0|2,0,0]=4 11024 B16R1.853 C[C@H](CO)NC(=O)NNc1ccccc1F 273464a_100000737577_100000239246 [0,2,0,0,0,0|2,0,0]=4 11025 B16R1.853 C[C@H](CO)NC(=O)NNc1ccccc1F 512a_100000737577_100000239246 [0,2,0,0,0,0|2,0,0]=4 11026 B16R1.853 C[C@H](CO)NC(=O)NNc1ccccc1I 273464a_100000737577_100011218156 [0,2,0,0,0,0|2,0,0]=4 11027 B16R1.853 C[C@H](CO)NC(=O)NNc1ccccc1I 512a_100000737577_100011218156 [0,2,0,0,0,0|2,0,0]=4 11028 B16R1.853 Cc1ccccc1C=CC(=O)NC(C)C#N 1626a_100000737613_100016266485 [0,2,0,0,0,0|1,0,1]=4 11029 B16R1.853 Cc1ccccc1C=CC(=O)N[C@H](C)CF 1626a_100102880703_100016266485 [0,2,0,0,0,0|1,0,0]=3 11030 B16R1.853 Cc1ccccc1CCC(=O)N[C@H](C)CO 240690a_100000737577_100000748742 [0,2,0,0,0,0|0,0,2]=4 11031 B16R1.853 Cc1ccccc1CCC(=O)N[C@H](C)CO 527a_100000737577_100000748742 [0,2,0,0,0,0|0,0,2]=4 11032 B16R1.853 Cc1ccccc1CNC(=O)N[C@H](C)CO 2708a_100000174972_100000737577 [0,2,0,0,0,0|1,0,1]=4 11033 B16R1.853 Cc1ccccc1CNC(=O)N[C@H](C)CO 273464a_100000737577_100000174972 [0,2,0,0,0,0|1,0,1]=4 11034 B16R1.853 Cc1ccccc1CNC(=O)N[C@H](C)CO 512a_100000174972_100000737577 [0,2,0,0,0,0|1,0,1]=4 11035 B16R1.853 Cc1ccccc1CNC(=O)N[C@H](C)CO 512a_100000737577_100000174972 [0,2,0,0,0,0|1,0,1]=4 11036 B16R1.853 Cc1ccccc1NNC(=O)N[C@H](C)CO 273464a_100000737577_100000184220 [0,2,0,0,0,0|2,0,0]=4 11037 B16R1.853 Cc1ccccc1NNC(=O)N[C@H](C)CO 512a_100000737577_100000184220 [0,2,0,0,0,0|2,0,0]=4 11038 B16R1.853 Cc1ccccc1OCC(=O)N[C@H](C)CO 240690a_100000737577_100000182418 [0,2,0,0,0,0|1,0,1]=4 11039 B16R1.853 Cc1ccccc1OCC(=O)N[C@H](C)CO 527a_100000737577_100000182418 [0,2,0,0,0,0|1,0,1]=4 11040 B16R1.853 Cc1ccccc1SCC(=O)N[C@H](C)CO 240690a_100000737577_100000183026 [0,2,0,0,0,0|1,0,1]=4 11041 B16R1.853 Cc1ccccc1SCC(=O)N[C@H](C)CO 527a_100000737577_100000183026 [0,2,0,0,0,0|1,0,1]=4 11042 B16R1.1672 CC(C#N)N(C)C(=O)C=Cc1ccccc1 11a_100000745055_100000210462 [0,2,0,0,0,0|1,0,1]=4 11043 B16R1.1672 CC(C#N)N(C)C(=O)C=Cc1ccccc1 1626a_100000745055_100000210462 [0,2,0,0,0,0|1,0,1]=4 11044 B16R1.1672 CC(CO)N(C)C(=O)C#Cc1ccccc1 240690a_100000693034_100000736102 [0,2,0,0,0,0|0,0,2]=4 11045 B16R1.1672 CC(CO)N(C)C(=O)C=Cc1ccccn1 240690a_100000693034_100000740811 [0,2,0,0,0,0|1,0,0]=3 11046 B16R1.1672 CC(CO)N(C)C(=O)C=Cc1cccnc1 240690a_100000693034_100000735890 [0,2,0,0,0,0|1,0,0]=3 11047 B16R1.1672 CC(CO)N(C)C(=O)C=Cc1ccncc1 240690a_100000693034_100000682801 [0,2,0,0,0,0|1,0,0]=3 11048 B16R1.1672 CC(CO)N(C)C(=O)CCc1ccccc1 240690a_100000693034_100000185753 [0,2,0,0,0,0|0,0,2]=4 11049 B16R1.1672 CC(CO)N(C)C(=O)CCc1ccccc1 527a_100000693034_100000185753 [0,2,0,0,0,0|0,0,2]=4 11050 B16R1.1672 CC(CO)N(C)C(=O)COc1ccccc1 240690a_100000693034_100000186222 [0,2,0,0,0,0|1,0,1]=4 11051 B16R1.1672 CC(CO)N(C)C(=O)COc1ccccc1 527a_100000693034_100000186222 [0,2,0,0,0,0|1,0,1]=4 11052 B16R1.1672 CC(CO)N(C)C(=O)CSc1ccccc1 240690a_100000693034_100000211596 [0,2,0,0,0,0|1,0,1]=4 11053 B16R1.1672 CC(CO)N(C)C(=O)CSc1ccccc1 527a_100000693034_100000211596 [0,2,0,0,0,0|1,0,1]=4 11054 B16R1.1672 CC(CO)N(C)C(=O)NCc1ccccc1 2708a_100015324214_100000693034 [0,2,0,0,0,0|1,0,1]=4 11055 B16R1.1672 CCC(C)N(C)C(=O)C=Cc1ccccc1 11a_100000741768_100000210462 [0,2,0,0,0,0|1,0,0]=3 11056 B16R1.1672 CCC(C)N(C)C(=O)C=Cc1ccccc1 1626a_100000741768_100000210462 [0,2,0,0,0,0|1,0,0]=3 11057 B16R1.1672 CCC(C)N(C)C(=O)C=Cc1ccccn1 11a_100000741768_100000740811 [0,2,0,0,0,0|2,0,0]=4 11058 B16R1.1672 CCC(C)N(C)C(=O)C=Cc1ccccn1 240690a_100000741768_100000740811 [0,2,0,0,0,0|2,0,0]=4 11059 B16R1.1672 CCC(C)N(C)C(=O)C=Cc1cccnc1 11a_100000741768_100000735890 [0,2,0,0,0,0|2,0,0]=4 11060 B16R1.1672 CCC(C)N(C)C(=O)C=Cc1cccnc1 240690a_100000741768_100000735890 [0,2,0,0,0,0|2,0,0]=4 11061 B16R1.1672 CCC(C)N(C)C(=O)C=Cc1ccncc1 240690a_100000741768_100000682801 [0,2,0,0,0,0|2,0,0]=4 11062 B16R1.4122 CC(=O)C(C)NC(=O)C=Cc1ccccc1 1458a_100015194556_200000210301 [0,2,0,0,0,0|0,0,2]=4 11063 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccc1 11a_100000211541_100000210462 [0,2,0,0,0,0|1,0,0]=3 11064 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccc1 1626a_100000211541_100000210462 [0,2,0,0,0,0|1,0,0]=3 11065 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccn1 11a_100000211541_100000740811 [0,2,0,0,0,0|2,0,0]=4 11066 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccccn1 240690a_100000211541_100000740811 [0,2,0,0,0,0|2,0,0]=4 11067 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1cccnc1 11a_100000211541_100000735890 [0,2,0,0,0,0|2,0,0]=4 11068 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1cccnc1 240690a_100000211541_100000735890 [0,2,0,0,0,0|2,0,0]=4 11069 B16R1.4122 CC(C)C(C)NC(=O)C=Cc1ccncc1 240690a_100000211541_100000682801 [0,2,0,0,0,0|2,0,0]=4 11070 B16R1.4122 CC(NC(=O)C=Cc1ccccc1)C(=O)[13CH3] 1458a_100015194556_200025704644 [0,2,0,0,0,0|0,0,2]=4 11071 B16R1.4122 C[C@@H](NC(=O)C=Cc1ccccc1)C(=O)N 11a_100000119354_100000210462 [0,2,0,0,0,0|0,0,2]=4 11072 B16R1.7289 C=C[C@@H](CO)NC(=O)C#Cc1ccccc1 240690a_100016989147_100000736102 [0,2,0,0,0,0|0,0,2]=4 11073 B16R1.7289 C=C[C@@H](CO)NC(=O)C=Cc1ccccn1 240690a_100016989147_100000740811 [0,2,0,0,0,0|1,0,0]=3 11074 B16R1.7289 C=C[C@@H](CO)NC(=O)C=Cc1cccnc1 240690a_100016989147_100000735890 [0,2,0,0,0,0|1,0,0]=3 11075 B16R1.7289 C=C[C@@H](CO)NC(=O)C=Cc1ccncc1 240690a_100016989147_100000682801 [0,2,0,0,0,0|1,0,0]=3 11076 B16R1.7289 C=C[C@@H](CO)NC(=O)CCc1ccccc1 240690a_100016989147_100000185753 [0,2,0,0,0,0|0,0,2]=4 11077 B16R1.7289 C=C[C@@H](CO)NC(=O)CCc1ccccc1 527a_100016989147_100000185753 [0,2,0,0,0,0|0,0,2]=4 11078 B16R1.7289 C=C[C@@H](CO)NC(=O)COc1ccccc1 240690a_100016989147_100000186222 [0,2,0,0,0,0|1,0,1]=4 11079 B16R1.7289 C=C[C@@H](CO)NC(=O)COc1ccccc1 527a_100016989147_100000186222 [0,2,0,0,0,0|1,0,1]=4 11080 B16R1.7289 C=C[C@@H](CO)NC(=O)CSc1ccccc1 240690a_100016989147_100000211596 [0,2,0,0,0,0|1,0,1]=4 11081 B16R1.7289 C=C[C@@H](CO)NC(=O)CSc1ccccc1 527a_100016989147_100000211596 [0,2,0,0,0,0|1,0,1]=4 11082 B16R1.7289 C=C[C@@H](CO)NC(=O)NCc1ccccc1 2708a_100015324214_100016989147 [0,2,0,0,0,0|1,0,1]=4 11083 B16R1.7289 C=C[C@@H](CO)NC(=O)NCc1ccccc1 273464a_100015324214_100016989147 [0,2,0,0,0,0|1,0,1]=4 11084 B16R1.7289 C=C[C@@H](CO)NC(=O)NCc1ccccc1 273464a_100016989147_100015324214 [0,2,0,0,0,0|1,0,1]=4 11085 B16R1.7289 C=C[C@@H](CO)NC(=O)NCc1ccccc1 512a_100015324214_100016989147 [0,2,0,0,0,0|1,0,1]=4 11086 B16R1.7289 C=C[C@@H](CO)NC(=O)NNc1ccccc1 273464a_100016989147_100015195140 [0,2,0,0,0,0|2,0,0]=4 11087 B16R1.7289 CCC(CC)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011215472 [0,2,0,0,0,0|2,0,0]=4 11088 B16R1.7289 CCC(CC)NC(=O)C=Cc1ccccc1 11a_100000199018_100000210462 [0,2,0,0,0,0|1,0,0]=3 11089 B16R1.7289 CCC(CC)NC(=O)C=Cc1ccccc1 1626a_100000199018_100000210462 [0,2,0,0,0,0|1,0,0]=3 11090 B16R1.7289 CCC(CC)NC(=O)C=Cc1ccccn1 11a_100000199018_100000740811 [0,2,0,0,0,0|2,0,0]=4 11091 B16R1.7289 CCC(CC)NC(=O)C=Cc1ccccn1 240690a_100000199018_100000740811 [0,2,0,0,0,0|2,0,0]=4 11092 B16R1.7289 CCC(CC)NC(=O)C=Cc1cccnc1 11a_100000199018_100000735890 [0,2,0,0,0,0|2,0,0]=4 11093 B16R1.7289 CCC(CC)NC(=O)C=Cc1cccnc1 240690a_100000199018_100000735890 [0,2,0,0,0,0|2,0,0]=4 11094 B16R1.7289 CCC(CC)NC(=O)C=Cc1ccncc1 240690a_100000199018_100000682801 [0,2,0,0,0,0|2,0,0]=4 11095 B16R1.7289 CC[C@@H](CO)NC(=O)C#Cc1ccccc1 240690a_100000709445_100000736102 [0,2,0,0,0,0|0,0,2]=4 11096 B16R1.7289 CC[C@@H](CO)NC(=O)C=Cc1ccccn1 240690a_100000709445_100000740811 [0,2,0,0,0,0|1,0,0]=3 11097 B16R1.7289 CC[C@@H](CO)NC(=O)C=Cc1cccnc1 240690a_100000709445_100000735890 [0,2,0,0,0,0|1,0,0]=3 11098 B16R1.7289 CC[C@@H](CO)NC(=O)C=Cc1ccncc1 240690a_100000709445_100000682801 [0,2,0,0,0,0|1,0,0]=3 11099 B16R1.7289 CC[C@@H](CO)NC(=O)CCc1ccccc1 240690a_100000709445_100000185753 [0,2,0,0,0,0|0,0,2]=4 11100 B16R1.7289 CC[C@@H](CO)NC(=O)CCc1ccccc1 527a_100000709445_100000185753 [0,2,0,0,0,0|0,0,2]=4 11101 B16R1.7289 CC[C@@H](CO)NC(=O)COc1ccccc1 240690a_100000709445_100000186222 [0,2,0,0,0,0|1,0,1]=4 11102 B16R1.7289 CC[C@@H](CO)NC(=O)COc1ccccc1 527a_100000709445_100000186222 [0,2,0,0,0,0|1,0,1]=4 11103 B16R1.7289 CC[C@@H](CO)NC(=O)CSc1ccccc1 240690a_100000709445_100000211596 [0,2,0,0,0,0|1,0,1]=4 11104 B16R1.7289 CC[C@@H](CO)NC(=O)CSc1ccccc1 527a_100000709445_100000211596 [0,2,0,0,0,0|1,0,1]=4 11105 B16R1.7289 CC[C@@H](CO)NC(=O)NCc1ccccc1 2708a_100015324214_100000709445 [0,2,0,0,0,0|1,0,1]=4 11106 B16R1.7289 CC[C@@H](CO)NC(=O)NCc1ccccc1 273464a_100000709445_100015324214 [0,2,0,0,0,0|1,0,1]=4 11107 B16R1.7289 CC[C@@H](CO)NC(=O)NCc1ccccc1 273464a_100015324214_100000709445 [0,2,0,0,0,0|1,0,1]=4 11108 B16R1.7289 CC[C@@H](CO)NC(=O)NCc1ccccc1 512a_100000709445_100015324214 [0,2,0,0,0,0|1,0,1]=4 11109 B16R1.7289 CC[C@@H](CO)NC(=O)NCc1ccccc1 512a_100015324214_100000709445 [0,2,0,0,0,0|1,0,1]=4 11110 B16R1.7289 CC[C@@H](CO)NC(=O)NNc1ccccc1 273464a_100000709445_100015195140 [0,2,0,0,0,0|2,0,0]=4 11111 B16R1.7289 CC[C@@H](CO)NC(=O)NNc1ccccc1 512a_100000709445_100015195140 [0,2,0,0,0,0|2,0,0]=4 11112 B16R1.7289 N#CC(C#N)NC(=O)C=Cc1ccccc1 11a_200000072138_100000210462 [0,2,0,0,0,0|1,0,1]=4 11113 B16R1.7289 N#CC(C#N)NC(=O)C=Cc1ccccc1 1626a_200000072138_100000210462 [0,2,0,0,0,0|1,0,1]=4 11114 B16R1.7289 O=C(C#Cc1ccccc1)NC(CO)CO 240690a_100000759517_100000736102 [0,2,0,0,0,0|0,0,2]=4 11115 B16R1.7289 O=C(C=Cc1ccccn1)NC(CO)CO 240690a_100000759517_100000740811 [0,2,0,0,0,0|1,0,0]=3 11116 B16R1.7289 O=C(C=Cc1cccnc1)NC(CO)CO 240690a_100000759517_100000735890 [0,2,0,0,0,0|1,0,0]=3 11117 B16R1.7289 O=C(C=Cc1ccncc1)NC(CO)CO 240690a_100000759517_100000682801 [0,2,0,0,0,0|1,0,0]=3 11118 B16R1.7289 O=C(CCc1ccccc1)NC(CO)CO 240690a_100000759517_100000185753 [0,2,0,0,0,0|0,0,2]=4 11119 B16R1.7289 O=C(CCc1ccccc1)NC(CO)CO 527a_100000759517_100000185753 [0,2,0,0,0,0|0,0,2]=4 11120 B16R1.7289 O=C(COc1ccccc1)NC(CO)CO 240690a_100000759517_100000186222 [0,2,0,0,0,0|1,0,1]=4 11121 B16R1.7289 O=C(COc1ccccc1)NC(CO)CO 527a_100000759517_100000186222 [0,2,0,0,0,0|1,0,1]=4 11122 B16R1.7289 O=C(CSc1ccccc1)NC(CO)CO 240690a_100000759517_100000211596 [0,2,0,0,0,0|1,0,1]=4 11123 B16R1.7289 O=C(CSc1ccccc1)NC(CO)CO 527a_100000759517_100000211596 [0,2,0,0,0,0|1,0,1]=4 11124 B16R1.7289 O=C(NCc1ccccc1)NC(CO)CO 2708a_100015324214_100000759517 [0,2,0,0,0,0|1,0,1]=4 11125 B16R1.7289 O=C(NCc1ccccc1)NC(CO)CO 273464a_100000759517_100015324214 [0,2,0,0,0,0|1,0,1]=4 11126 B16R1.7289 O=C(NCc1ccccc1)NC(CO)CO 273464a_100015324214_100000759517 [0,2,0,0,0,0|1,0,1]=4 11127 B16R1.7289 O=C(NCc1ccccc1)NC(CO)CO 512a_100015324214_100000759517 [0,2,0,0,0,0|1,0,1]=4 11128 B16R1.10317 C#CC(C)(C)NC(=O)C=Cc1ccccc1 11a_100000054563_100000210462 [0,2,0,0,0,0|1,0,1]=4 11129 B16R1.10317 C#CC(C)(C)NC(=O)C=Cc1ccccc1 1626a_100000054563_100000210462 [0,2,0,0,0,0|1,0,1]=4 11130 B16R1.10317 CC(C)(C#N)NC(=O)C=Cc1ccccc1 11a_100000761509_100000210462 [0,2,0,0,0,0|1,0,1]=4 11131 B16R1.10317 CC(C)(C#N)NC(=O)C=Cc1ccccc1 1626a_100000761509_100000210462 [0,2,0,0,0,0|1,0,1]=4 11132 B16R1.10317 CC(C)(CO)NC(=O)C#Cc1ccccc1 240690a_100000210608_100000736102 [0,2,0,0,0,0|0,0,2]=4 11133 B16R1.10317 CC(C)(CO)NC(=O)C=Cc1ccccn1 240690a_100000210608_100000740811 [0,2,0,0,0,0|1,0,0]=3 11134 B16R1.10317 CC(C)(CO)NC(=O)C=Cc1cccnc1 240690a_100000210608_100000735890 [0,2,0,0,0,0|1,0,0]=3 11135 B16R1.10317 CC(C)(CO)NC(=O)C=Cc1ccncc1 240690a_100000210608_100000682801 [0,2,0,0,0,0|1,0,0]=3 11136 B16R1.10317 CC(C)(CO)NC(=O)CCc1ccccc1 240690a_100000210608_100000185753 [0,2,0,0,0,0|0,0,2]=4 11137 B16R1.10317 CC(C)(CO)NC(=O)CCc1ccccc1 527a_100020618417_100000185753 [0,2,0,0,0,0|0,0,2]=4 11138 B16R1.10317 CC(C)(CO)NC(=O)COc1ccccc1 240690a_100000210608_100000186222 [0,2,0,0,0,0|1,0,1]=4 11139 B16R1.10317 CC(C)(CO)NC(=O)COc1ccccc1 527a_100020618417_100000186222 [0,2,0,0,0,0|1,0,1]=4 11140 B16R1.10317 CC(C)(CO)NC(=O)CSc1ccccc1 240690a_100000210608_100000211596 [0,2,0,0,0,0|1,0,1]=4 11141 B16R1.10317 CC(C)(CO)NC(=O)CSc1ccccc1 527a_100020618417_100000211596 [0,2,0,0,0,0|1,0,1]=4 11142 B16R1.10317 CC(C)(CO)NC(=O)NCc1ccccc1 2708a_100015324214_100000210608 [0,2,0,0,0,0|1,0,1]=4 11143 B16R1.10317 CC(C)(CO)NC(=O)NCc1ccccc1 273464a_100000210608_100015324214 [0,2,0,0,0,0|1,0,1]=4 11144 B16R1.10317 CC(C)(CO)NC(=O)NCc1ccccc1 273464a_100015324214_100000210608 [0,2,0,0,0,0|1,0,1]=4 11145 B16R1.10317 CC(C)(CO)NC(=O)NCc1ccccc1 512a_100000210608_100015324214 [0,2,0,0,0,0|1,0,1]=4 11146 B16R1.10317 CC(C)(CO)NC(=O)NNc1ccccc1 273464a_100000210608_100015195140 [0,2,0,0,0,0|2,0,0]=4 11147 B16R1.10317 CC(C)(CO)NC(=O)NNc1ccccc1 512a_100000210608_100015195140 [0,2,0,0,0,0|2,0,0]=4 11148 B16R1.10317 CCC(C)(C)NC(=O)C=Cc1ccccc1 11a_100000211385_100000210462 [0,2,0,0,0,0|1,0,0]=3 11149 B16R1.10317 CCC(C)(C)NC(=O)C=Cc1ccccc1 1626a_100000211385_100000210462 [0,2,0,0,0,0|1,0,0]=3 11150 B16R1.10317 CCC(C)(C)NC(=O)C=Cc1ccccn1 11a_100000211385_100000740811 [0,2,0,0,0,0|2,0,0]=4 11151 B16R1.10317 CCC(C)(C)NC(=O)C=Cc1ccccn1 240690a_100000211385_100000740811 [0,2,0,0,0,0|2,0,0]=4 11152 B16R1.10317 CCC(C)(C)NC(=O)C=Cc1cccnc1 11a_100000211385_100000735890 [0,2,0,0,0,0|2,0,0]=4 11153 B16R1.10317 CCC(C)(C)NC(=O)C=Cc1cccnc1 240690a_100000211385_100000735890 [0,2,0,0,0,0|2,0,0]=4 11154 B16R1.10317 CCC(C)(C)NC(=O)C=Cc1ccncc1 240690a_100000211385_100000682801 [0,2,0,0,0,0|2,0,0]=4 11155 B16R1.10317 CCS(=O)(=O)NC(=O)C=Cc1ccccc1 2740a_100000171174_100000210462 [0,2,0,0,0,0|2,0,0]=4 11156 B16R1.17161 CCC(C)NS(=O)(=O)C=Cc1ccccc1 40a_100000209981_100011098038 [0,2,0,0,0,0|2,0,0]=4 11157 B16R1.17161 C[C@H](CF)NS(=O)(=O)C=Cc1ccccc1 40a_100102880703_100011098038 [0,2,0,0,0,0|2,0,0]=4 11158 B16R1.17161 C[C@H](CO)NS(=O)(=O)C=Cc1ccccc1 40a_100000737577_100011098038 [0,2,0,0,0,0|1,0,0]=3 11159 B16R1.194 C#CCN(CC)C(=O)C=Cc1ccccc1 11a_100000744766_100000210462 [0,2,0,0,0,0|1,0,1]=4 11160 B16R1.194 C#CCN(CC)C(=O)C=Cc1ccccc1 1626a_100000744766_100000210462 [0,2,0,0,0,0|1,0,1]=4 11161 B16R1.194 CCCC(CC)C(=O)C=Cc1ccccc1 1458a_100000210462_100011219200 [0,2,0,0,0,0|2,0,0]=4 11162 B16R1.194 CCCN(CC)C(=O)C=Cc1ccccc1 11a_100000226822_100000210462 [0,2,0,0,0,0|1,0,0]=3 11163 B16R1.194 CCCN(CC)C(=O)C=Cc1ccccc1 1626a_100000226822_100000210462 [0,2,0,0,0,0|1,0,0]=3 11164 B16R1.194 CCCN(CC)C(=O)C=Cc1ccccn1 11a_100000226822_100000740811 [0,2,0,0,0,0|2,0,0]=4 11165 B16R1.194 CCCN(CC)C(=O)C=Cc1ccccn1 240690a_100000226822_100000740811 [0,2,0,0,0,0|2,0,0]=4 11166 B16R1.194 CCCN(CC)C(=O)C=Cc1cccnc1 11a_100000226822_100000735890 [0,2,0,0,0,0|2,0,0]=4 11167 B16R1.194 CCCN(CC)C(=O)C=Cc1cccnc1 240690a_100000226822_100000735890 [0,2,0,0,0,0|2,0,0]=4 11168 B16R1.194 CCCN(CC)C(=O)C=Cc1ccncc1 240690a_100000226822_100000682801 [0,2,0,0,0,0|2,0,0]=4 11169 B16R1.194 CCN(CCO)C(=O)C#Cc1ccccc1 240690a_100000210973_100000736102 [0,2,0,0,0,0|0,0,2]=4 11170 B16R1.194 CCN(CCO)C(=O)C=Cc1ccccn1 240690a_100000210973_100000740811 [0,2,0,0,0,0|1,0,0]=3 11171 B16R1.194 CCN(CCO)C(=O)C=Cc1cccnc1 240690a_100000210973_100000735890 [0,2,0,0,0,0|1,0,0]=3 11172 B16R1.194 CCN(CCO)C(=O)C=Cc1ccncc1 240690a_100000210973_100000682801 [0,2,0,0,0,0|1,0,0]=3 11173 B16R1.194 CCN(CCO)C(=O)CCc1ccccc1 240690a_100000210973_100000185753 [0,2,0,0,0,0|0,0,2]=4 11174 B16R1.194 CCN(CCO)C(=O)CCc1ccccc1 527a_100000210973_100000185753 [0,2,0,0,0,0|0,0,2]=4 11175 B16R1.194 CCN(CCO)C(=O)COc1ccccc1 240690a_100000210973_100000186222 [0,2,0,0,0,0|1,0,1]=4 11176 B16R1.194 CCN(CCO)C(=O)COc1ccccc1 527a_100000210973_100000186222 [0,2,0,0,0,0|1,0,1]=4 11177 B16R1.194 CCN(CCO)C(=O)CSc1ccccc1 240690a_100000210973_100000211596 [0,2,0,0,0,0|1,0,1]=4 11178 B16R1.194 CCN(CCO)C(=O)CSc1ccccc1 527a_100000210973_100000211596 [0,2,0,0,0,0|1,0,1]=4 11179 B16R1.194 CCN(CCO)C(=O)NCc1ccccc1 2708a_100015324214_100000210973 [0,2,0,0,0,0|1,0,1]=4 11180 B16R1.194 CCN(CCO)C(=O)NCc1ccccc1 273464a_100015324214_100000210973 [0,2,0,0,0,0|1,0,1]=4 11181 B16R1.4553 C#CCN(C)C(=O)C=Cc1ccccc1Br 11a_100000225692_100000719032 [0,2,0,0,0,0|1,0,1]=4 11182 B16R1.4553 C#CCN(C)C(=O)C=Cc1ccccc1Br 1626a_100000225692_100000719032 [0,2,0,0,0,0|1,0,1]=4 11183 B16R1.4553 C#CCN(C)C(=O)C=Cc1ccccc1C 1626a_100000225692_100016266485 [0,2,0,0,0,0|1,0,1]=4 11184 B16R1.4553 C#CCN(C)C(=O)C=Cc1ccccc1Cl 11a_100000225692_100000720304 [0,2,0,0,0,0|1,0,1]=4 11185 B16R1.4553 C#CCN(C)C(=O)C=Cc1ccccc1Cl 1626a_100000225692_100000720304 [0,2,0,0,0,0|1,0,1]=4 11186 B16R1.4553 C#CCN(C)C(=O)C=Cc1ccccc1F 11a_100000225692_100016256065 [0,2,0,0,0,0|1,0,1]=4 11187 B16R1.4553 C#CCN(C)C(=O)C=Cc1ccccc1F 1626a_100000225692_100016256065 [0,2,0,0,0,0|1,0,1]=4 11188 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1Br 11a_100000225617_100000719032 [0,2,0,0,0,0|1,0,1]=4 11189 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1Br 1626a_100000225617_100000719032 [0,2,0,0,0,0|1,0,1]=4 11190 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1Br 240690a_100000225617_100000719032 [0,2,0,0,0,0|1,0,1]=4 11191 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1C 1626a_100000225617_100016266485 [0,2,0,0,0,0|1,0,1]=4 11192 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1Cl 11a_100000225617_100000720304 [0,2,0,0,0,0|1,0,1]=4 11193 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1Cl 1626a_100000225617_100000720304 [0,2,0,0,0,0|1,0,1]=4 11194 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1Cl 240690a_100000225617_100000720304 [0,2,0,0,0,0|1,0,1]=4 11195 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1F 11a_100000225617_100016256065 [0,2,0,0,0,0|1,0,1]=4 11196 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1F 1626a_100000225617_100016256065 [0,2,0,0,0,0|1,0,1]=4 11197 B16R1.4553 C=CCN(C)C(=O)C=Cc1ccccc1F 240690a_100000225617_100016256065 [0,2,0,0,0,0|1,0,1]=4 11198 B16R1.4553 CC(CCO)C(=O)C=Cc1ccccc1Br 1458a_100000719032_100009893172 [0,2,0,0,0,0|1,0,0]=3 11199 B16R1.4553 CC(CCO)C(=O)C=Cc1ccccc1Cl 1458a_100000720304_100009893172 [0,2,0,0,0,0|1,0,0]=3 11200 B16R1.4553 CC(CCO)C(=O)C=Cc1ccccc1F 1458a_100016256065_100009893172 [0,2,0,0,0,0|1,0,0]=3 11201 B16R1.4553 CC(CCO)C(=O)C=Cc1ccccc1O 1458a_100016263591_100009893172 [0,2,0,0,0,0|1,0,0]=3 11202 B16R1.4553 CCCC(C)C(=O)C=Cc1ccccc1Br 1458a_100000719032_100000766640 [0,2,0,0,0,0|2,0,0]=4 11203 B16R1.4553 CCCC(C)C(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000766640 [0,2,0,0,0,0|2,0,0]=4 11204 B16R1.4553 CCCC(C)C(=O)C=Cc1ccccc1F 1458a_100016256065_100000766640 [0,2,0,0,0,0|2,0,0]=4 11205 B16R1.4553 CCCC(C)C(=O)C=Cc1ccccc1O 1458a_100016263591_100000766640 [0,2,0,0,0,0|2,0,0]=4 11206 B16R1.4553 CCCN(C)C(=O)C=Cc1ccccc1Br 11a_100000747261_100000719032 [0,2,0,0,0,0|1,0,0]=3 11207 B16R1.4553 CCCN(C)C(=O)C=Cc1ccccc1Br 1626a_100000747261_100000719032 [0,2,0,0,0,0|1,0,0]=3 11208 B16R1.4553 CCCN(C)C(=O)C=Cc1ccccc1Br 240690a_100000747261_100000719032 [0,2,0,0,0,0|1,0,0]=3 11209 B16R1.4553 CCCN(C)C(=O)C=Cc1ccccc1C 1626a_100000747261_100016266485 [0,2,0,0,0,0|1,0,0]=3 11210 B16R1.4553 CCCN(C)C(=O)C=Cc1ccccc1Cl 11a_100000747261_100000720304 [0,2,0,0,0,0|1,0,0]=3 11211 B16R1.4553 CCCN(C)C(=O)C=Cc1ccccc1Cl 1626a_100000747261_100000720304 [0,2,0,0,0,0|1,0,0]=3 11212 B16R1.4553 CCCN(C)C(=O)C=Cc1ccccc1Cl 240690a_100000747261_100000720304 [0,2,0,0,0,0|1,0,0]=3 11213 B16R1.4553 CCCN(C)C(=O)C=Cc1ccccc1F 11a_100000747261_100016256065 [0,2,0,0,0,0|1,0,0]=3 11214 B16R1.4553 CCCN(C)C(=O)C=Cc1ccccc1F 1626a_100000747261_100016256065 [0,2,0,0,0,0|1,0,0]=3 11215 B16R1.4553 CCCN(C)C(=O)C=Cc1ccccc1F 240690a_100000747261_100016256065 [0,2,0,0,0,0|1,0,0]=3 11216 B16R1.4553 CN(CC#N)C(=O)C=Cc1ccccc1Br 11a_100000748184_100000719032 [0,2,0,0,0,0|1,0,1]=4 11217 B16R1.4553 CN(CC#N)C(=O)C=Cc1ccccc1Br 1626a_100000748184_100000719032 [0,2,0,0,0,0|1,0,1]=4 11218 B16R1.4553 CN(CC#N)C(=O)C=Cc1ccccc1Cl 11a_100000748184_100000720304 [0,2,0,0,0,0|1,0,1]=4 11219 B16R1.4553 CN(CC#N)C(=O)C=Cc1ccccc1Cl 1626a_100000748184_100000720304 [0,2,0,0,0,0|1,0,1]=4 11220 B16R1.4553 CN(CC#N)C(=O)C=Cc1ccccc1F 11a_100000748184_100016256065 [0,2,0,0,0,0|1,0,1]=4 11221 B16R1.4553 CN(CC#N)C(=O)C=Cc1ccccc1F 1626a_100000748184_100016256065 [0,2,0,0,0,0|1,0,1]=4 11222 B16R1.4553 CN(CCO)C(=O)C=Cc1ccccc1Br 240690a_100000210263_100000719032 [0,2,0,0,0,0|0,0,0]=2 11223 B16R1.4553 CN(CCO)C(=O)C=Cc1ccccc1Cl 240690a_100000210263_100000720304 [0,2,0,0,0,0|0,0,0]=2 11224 B16R1.4553 CN(CCO)C(=O)C=Cc1ccccc1F 240690a_100000210263_100016256065 [0,2,0,0,0,0|0,0,0]=2 11225 B16R1.4553 CN(CCO)C(=O)CCc1ccccc1Br 240690a_100000210263_100000740810 [0,2,0,0,0,0|0,0,2]=4 11226 B16R1.4553 CN(CCO)C(=O)CCc1ccccc1Br 527a_100000210263_100000740810 [0,2,0,0,0,0|0,0,2]=4 11227 B16R1.4553 CN(CCO)C(=O)CCc1ccccc1Cl 240690a_100000210263_100000184300 [0,2,0,0,0,0|0,0,2]=4 11228 B16R1.4553 CN(CCO)C(=O)CCc1ccccc1Cl 527a_100000210263_100000184300 [0,2,0,0,0,0|0,0,2]=4 11229 B16R1.4553 CN(CCO)C(=O)CCc1ccccc1F 240690a_100000210263_100000189703 [0,2,0,0,0,0|0,0,2]=4 11230 B16R1.4553 CN(CCO)C(=O)CCc1ccccc1F 527a_100000210263_100000189703 [0,2,0,0,0,0|0,0,2]=4 11231 B16R1.4553 CN(CCO)C(=O)CCc1ccccc1I 240690a_100000210263_100000037306 [0,2,0,0,0,0|0,0,2]=4 11232 B16R1.4553 CN(CCO)C(=O)CCc1ccccc1I 527a_100000210263_100000037306 [0,2,0,0,0,0|0,0,2]=4 11233 B16R1.4553 CN(CCO)C(=O)CCc1ccccc1O 240690a_100000210263_100000181328 [0,2,0,0,0,0|0,0,2]=4 11234 B16R1.4553 CN(CCO)C(=O)CCc1ccccc1O 527a_100000210263_100000181328 [0,2,0,0,0,0|0,0,2]=4 11235 B16R1.4553 CN(CCO)C(=O)COc1ccccc1Br 240690a_100000210263_100000216496 [0,2,0,0,0,0|1,0,1]=4 11236 B16R1.4553 CN(CCO)C(=O)COc1ccccc1Br 527a_100000210263_100000216496 [0,2,0,0,0,0|1,0,1]=4 11237 B16R1.4553 CN(CCO)C(=O)COc1ccccc1Cl 240690a_100000210263_100000185159 [0,2,0,0,0,0|1,0,1]=4 11238 B16R1.4553 CN(CCO)C(=O)COc1ccccc1Cl 527a_100000210263_100000185159 [0,2,0,0,0,0|1,0,1]=4 11239 B16R1.4553 CN(CCO)C(=O)COc1ccccc1F 240690a_100000210263_100000182486 [0,2,0,0,0,0|1,0,1]=4 11240 B16R1.4553 CN(CCO)C(=O)COc1ccccc1F 527a_100000210263_100000182486 [0,2,0,0,0,0|1,0,1]=4 11241 B16R1.4553 CN(CCO)C(=O)COc1ccccc1O 240690a_100000210263_100000183020 [0,2,0,0,0,0|1,0,1]=4 11242 B16R1.4553 CN(CCO)C(=O)COc1ccccc1O 527a_100000210263_100000183020 [0,2,0,0,0,0|1,0,1]=4 11243 B16R1.4553 CN(CCO)C(=O)CSc1ccccc1F 240690a_100000210263_100000179528 [0,2,0,0,0,0|1,0,1]=4 11244 B16R1.4553 CN(CCO)C(=O)CSc1ccccc1O 240690a_100000210263_100000695322 [0,2,0,0,0,0|1,0,1]=4 11245 B16R1.4553 CN(CCO)C(=O)CSc1ccccc1O 527a_100000210263_100000695322 [0,2,0,0,0,0|1,0,1]=4 11246 B16R1.4553 CN(CCO)C(=O)NCc1ccccc1Br 2708a_100000689332_100000210263 [0,2,0,0,0,0|1,0,1]=4 11247 B16R1.4553 CN(CCO)C(=O)NCc1ccccc1Br 273464a_100000689332_100000210263 [0,2,0,0,0,0|1,0,1]=4 11248 B16R1.4553 CN(CCO)C(=O)NCc1ccccc1Cl 2708a_100000174879_100000210263 [0,2,0,0,0,0|1,0,1]=4 11249 B16R1.4553 CN(CCO)C(=O)NCc1ccccc1Cl 273464a_100000174879_100000210263 [0,2,0,0,0,0|1,0,1]=4 11250 B16R1.4553 CN(CCO)C(=O)NCc1ccccc1F 2708a_100000174869_100000210263 [0,2,0,0,0,0|1,0,1]=4 11251 B16R1.4553 CN(CCO)C(=O)NCc1ccccc1F 273464a_100000174869_100000210263 [0,2,0,0,0,0|1,0,1]=4 11252 B16R1.4553 CN(CCO)C(=O)NCc1ccccc1I 2708a_100015347259_100000210263 [0,2,0,0,0,0|1,0,1]=4 11253 B16R1.4553 CN(CCO)C(=O)NCc1ccccc1I 273464a_100015347259_100000210263 [0,2,0,0,0,0|1,0,1]=4 11254 B16R1.4553 CN(CCO)C(=O)NCc1ccccc1O 2708a_100000185550_100000210263 [0,2,0,0,0,0|1,0,1]=4 11255 B16R1.4553 CN(CCO)C(=O)NCc1ccccc1O 273464a_100000185550_100000210263 [0,2,0,0,0,0|1,0,1]=4 11256 B16R1.4553 Cc1ccccc1C=CC(=O)N(C)CC#N 1626a_100000748184_100016266485 [0,2,0,0,0,0|1,0,1]=4 11257 B16R1.4553 Cc1ccccc1CCC(=O)N(C)CCO 240690a_100000210263_100000748742 [0,2,0,0,0,0|0,0,2]=4 11258 B16R1.4553 Cc1ccccc1CCC(=O)N(C)CCO 527a_100000210263_100000748742 [0,2,0,0,0,0|0,0,2]=4 11259 B16R1.4553 Cc1ccccc1CNC(=O)N(C)CCO 2708a_100000174972_100000210263 [0,2,0,0,0,0|1,0,1]=4 11260 B16R1.4553 Cc1ccccc1CNC(=O)N(C)CCO 273464a_100000174972_100000210263 [0,2,0,0,0,0|1,0,1]=4 11261 B16R1.4553 Cc1ccccc1OCC(=O)N(C)CCO 240690a_100000210263_100000182418 [0,2,0,0,0,0|1,0,1]=4 11262 B16R1.4553 Cc1ccccc1OCC(=O)N(C)CCO 527a_100000210263_100000182418 [0,2,0,0,0,0|1,0,1]=4 11263 B16R1.4553 Cc1ccccc1SCC(=O)N(C)CCO 240690a_100000210263_100000183026 [0,2,0,0,0,0|1,0,1]=4 11264 B16R1.4553 Cc1ccccc1SCC(=O)N(C)CCO 527a_100000210263_100000183026 [0,2,0,0,0,0|1,0,1]=4 11265 B16R1.6944 C=C(C)CN(C)C(=O)C=Cc1ccccc1 11a_100000225649_100000210462 [0,2,0,0,0,0|1,0,1]=4 11266 B16R1.6944 C=C(C)CN(C)C(=O)C=Cc1ccccc1 1626a_100000225649_100000210462 [0,2,0,0,0,0|1,0,1]=4 11267 B16R1.6944 CC(C)CC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000731052 [0,2,0,0,0,0|2,0,0]=4 11268 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccccc1 11a_100000747067_100000210462 [0,2,0,0,0,0|1,0,0]=3 11269 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccccc1 1626a_100000747067_100000210462 [0,2,0,0,0,0|1,0,0]=3 11270 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccccn1 11a_100000747067_100000740811 [0,2,0,0,0,0|2,0,0]=4 11271 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccccn1 240690a_100000747067_100000740811 [0,2,0,0,0,0|2,0,0]=4 11272 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1cccnc1 11a_100000747067_100000735890 [0,2,0,0,0,0|2,0,0]=4 11273 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1cccnc1 240690a_100000747067_100000735890 [0,2,0,0,0,0|2,0,0]=4 11274 B16R1.6944 CC(C)CN(C)C(=O)C=Cc1ccncc1 240690a_100000747067_100000682801 [0,2,0,0,0,0|2,0,0]=4 11275 B16R1.6944 CC(O)CN(C)C(=O)C#Cc1ccccc1 240690a_100000227577_100000736102 [0,2,0,0,0,0|0,0,2]=4 11276 B16R1.6944 CC(O)CN(C)C(=O)C=Cc1ccccn1 240690a_100000227577_100000740811 [0,2,0,0,0,0|1,0,0]=3 11277 B16R1.6944 CC(O)CN(C)C(=O)C=Cc1cccnc1 240690a_100000227577_100000735890 [0,2,0,0,0,0|1,0,0]=3 11278 B16R1.6944 CC(O)CN(C)C(=O)C=Cc1ccncc1 240690a_100000227577_100000682801 [0,2,0,0,0,0|1,0,0]=3 11279 B16R1.6944 CC(O)CN(C)C(=O)CCc1ccccc1 240690a_100000227577_100000185753 [0,2,0,0,0,0|0,0,2]=4 11280 B16R1.6944 CC(O)CN(C)C(=O)CCc1ccccc1 527a_100000227577_100000185753 [0,2,0,0,0,0|0,0,2]=4 11281 B16R1.6944 CC(O)CN(C)C(=O)COc1ccccc1 240690a_100000227577_100000186222 [0,2,0,0,0,0|1,0,1]=4 11282 B16R1.6944 CC(O)CN(C)C(=O)COc1ccccc1 527a_100000227577_100000186222 [0,2,0,0,0,0|1,0,1]=4 11283 B16R1.6944 CC(O)CN(C)C(=O)CSc1ccccc1 240690a_100000227577_100000211596 [0,2,0,0,0,0|1,0,1]=4 11284 B16R1.6944 CC(O)CN(C)C(=O)CSc1ccccc1 527a_100000227577_100000211596 [0,2,0,0,0,0|1,0,1]=4 11285 B16R1.6944 CC(O)CN(C)C(=O)NCc1ccccc1 2708a_100015324214_100000227577 [0,2,0,0,0,0|1,0,1]=4 11286 B16R1.6944 CN(CC(=O)N)C(=O)C=Cc1ccccc1 11a_100000739694_100000210462 [0,2,0,0,0,0|0,0,2]=4 11287 B16R1.15344 CCCN(C)S(=O)(=O)C=Cc1ccccc1 40a_100000747261_100011098038 [0,2,0,0,0,0|2,0,0]=4 11288 B16R1.15344 CN(CCO)S(=O)(=O)C=Cc1ccccc1 40a_100000210263_100011098038 [0,2,0,0,0,0|1,0,0]=3 11289 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Br 11a_100000765925_100000719032 [0,2,0,0,0,0|1,0,1]=4 11290 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Br 1626a_100000765925_100000719032 [0,2,0,0,0,0|1,0,1]=4 11291 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Br 240690a_100000765925_100000719032 [0,2,0,0,0,0|1,0,1]=4 11292 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1C 1626a_100000765925_100016266485 [0,2,0,0,0,0|1,0,1]=4 11293 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Cl 11a_100000765925_100000720304 [0,2,0,0,0,0|1,0,1]=4 11294 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Cl 1626a_100000765925_100000720304 [0,2,0,0,0,0|1,0,1]=4 11295 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1Cl 240690a_100000765925_100000720304 [0,2,0,0,0,0|1,0,1]=4 11296 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1F 11a_100000765925_100016256065 [0,2,0,0,0,0|1,0,1]=4 11297 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1F 1626a_100000765925_100016256065 [0,2,0,0,0,0|1,0,1]=4 11298 B16R1.400 C=C(C)CNC(=O)C=Cc1ccccc1F 240690a_100000765925_100016256065 [0,2,0,0,0,0|1,0,1]=4 11299 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210312 [0,2,0,0,0,0|2,0,0]=4 11300 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210312 [0,2,0,0,0,0|2,0,0]=4 11301 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210312 [0,2,0,0,0,0|2,0,0]=4 11302 B16R1.400 CC(C)CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210312 [0,2,0,0,0,0|2,0,0]=4 11303 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br 11a_100000210953_100000719032 [0,2,0,0,0,0|1,0,0]=3 11304 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br 1626a_100000210953_100000719032 [0,2,0,0,0,0|1,0,0]=3 11305 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Br 240690a_100000210953_100000719032 [0,2,0,0,0,0|1,0,0]=3 11306 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Cl 11a_100000210953_100000720304 [0,2,0,0,0,0|1,0,0]=3 11307 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Cl 1626a_100000210953_100000720304 [0,2,0,0,0,0|1,0,0]=3 11308 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1Cl 240690a_100000210953_100000720304 [0,2,0,0,0,0|1,0,0]=3 11309 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1F 11a_100000210953_100016256065 [0,2,0,0,0,0|1,0,0]=3 11310 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1F 1626a_100000210953_100016256065 [0,2,0,0,0,0|1,0,0]=3 11311 B16R1.400 CC(C)CNC(=O)C=Cc1ccccc1F 240690a_100000210953_100016256065 [0,2,0,0,0,0|1,0,0]=3 11312 B16R1.400 CC(C)NNC(=O)C=Cc1ccccc1Br 22a_100000741168_100000719032 [0,2,0,0,0,0|2,0,0]=4 11313 B16R1.400 CC(C)NNC(=O)C=Cc1ccccc1Cl 22a_100000741168_100000720304 [0,2,0,0,0,0|2,0,0]=4 11314 B16R1.400 CC(C)NNC(=O)C=Cc1ccccc1F 22a_100000741168_100016256065 [0,2,0,0,0,0|2,0,0]=4 11315 B16R1.400 CC(C)NNC(=O)C=Cc1ccccc1O 22a_100000741168_100016263591 [0,2,0,0,0,0|2,0,0]=4 11316 B16R1.400 CC(O)CCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100012276601 [0,2,0,0,0,0|1,0,0]=3 11317 B16R1.400 CC(O)CCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100012276601 [0,2,0,0,0,0|1,0,0]=3 11318 B16R1.400 CC(O)CCC(=O)C=Cc1ccccc1F 1458a_100016256065_100012276601 [0,2,0,0,0,0|1,0,0]=3 11319 B16R1.400 CC(O)CCC(=O)C=Cc1ccccc1O 1458a_100016263591_100012276601 [0,2,0,0,0,0|1,0,0]=3 11320 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Br 11a_100000210904_100000719032 [0,2,0,0,0,0|0,0,0]=2 11321 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Br 240690a_100000210904_100000719032 [0,2,0,0,0,0|0,0,0]=2 11322 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Cl 11a_100000210904_100000720304 [0,2,0,0,0,0|0,0,0]=2 11323 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1Cl 240690a_100000210904_100000720304 [0,2,0,0,0,0|0,0,0]=2 11324 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1F 11a_100000210904_100016256065 [0,2,0,0,0,0|0,0,0]=2 11325 B16R1.400 CC(O)CNC(=O)C=Cc1ccccc1F 240690a_100000210904_100016256065 [0,2,0,0,0,0|0,0,0]=2 11326 B16R1.400 CC(O)CNC(=O)CCc1ccccc1Br 11a_100000210904_100000740810 [0,2,0,0,0,0|0,0,2]=4 11327 B16R1.400 CC(O)CNC(=O)CCc1ccccc1Br 240690a_100000210904_100000740810 [0,2,0,0,0,0|0,0,2]=4 11328 B16R1.400 CC(O)CNC(=O)CCc1ccccc1Br 527a_100000210904_100000740810 [0,2,0,0,0,0|0,0,2]=4 11329 B16R1.400 CC(O)CNC(=O)CCc1ccccc1Cl 11a_100000210904_100000184300 [0,2,0,0,0,0|0,0,2]=4 11330 B16R1.400 CC(O)CNC(=O)CCc1ccccc1Cl 240690a_100000210904_100000184300 [0,2,0,0,0,0|0,0,2]=4 11331 B16R1.400 CC(O)CNC(=O)CCc1ccccc1Cl 527a_100000210904_100000184300 [0,2,0,0,0,0|0,0,2]=4 11332 B16R1.400 CC(O)CNC(=O)CCc1ccccc1F 11a_100000210904_100000189703 [0,2,0,0,0,0|0,0,2]=4 11333 B16R1.400 CC(O)CNC(=O)CCc1ccccc1F 240690a_100000210904_100000189703 [0,2,0,0,0,0|0,0,2]=4 11334 B16R1.400 CC(O)CNC(=O)CCc1ccccc1F 527a_100000210904_100000189703 [0,2,0,0,0,0|0,0,2]=4 11335 B16R1.400 CC(O)CNC(=O)CCc1ccccc1I 11a_100000210904_100000037306 [0,2,0,0,0,0|0,0,2]=4 11336 B16R1.400 CC(O)CNC(=O)CCc1ccccc1I 240690a_100000210904_100000037306 [0,2,0,0,0,0|0,0,2]=4 11337 B16R1.400 CC(O)CNC(=O)CCc1ccccc1I 527a_100000210904_100000037306 [0,2,0,0,0,0|0,0,2]=4 11338 B16R1.400 CC(O)CNC(=O)CCc1ccccc1O 11a_100000210904_100000181328 [0,2,0,0,0,0|0,0,2]=4 11339 B16R1.400 CC(O)CNC(=O)CCc1ccccc1O 240690a_100000210904_100000181328 [0,2,0,0,0,0|0,0,2]=4 11340 B16R1.400 CC(O)CNC(=O)CCc1ccccc1O 527a_100000210904_100000181328 [0,2,0,0,0,0|0,0,2]=4 11341 B16R1.400 CC(O)CNC(=O)COc1ccccc1Br 11a_100000210904_100000216496 [0,2,0,0,0,0|1,0,1]=4 11342 B16R1.400 CC(O)CNC(=O)COc1ccccc1Br 240690a_100000210904_100000216496 [0,2,0,0,0,0|1,0,1]=4 11343 B16R1.400 CC(O)CNC(=O)COc1ccccc1Br 527a_100000210904_100000216496 [0,2,0,0,0,0|1,0,1]=4 11344 B16R1.400 CC(O)CNC(=O)COc1ccccc1Cl 11a_100000210904_100000185159 [0,2,0,0,0,0|1,0,1]=4 11345 B16R1.400 CC(O)CNC(=O)COc1ccccc1Cl 240690a_100000210904_100000185159 [0,2,0,0,0,0|1,0,1]=4 11346 B16R1.400 CC(O)CNC(=O)COc1ccccc1Cl 527a_100000210904_100000185159 [0,2,0,0,0,0|1,0,1]=4 11347 B16R1.400 CC(O)CNC(=O)COc1ccccc1F 11a_100000210904_100000182486 [0,2,0,0,0,0|1,0,1]=4 11348 B16R1.400 CC(O)CNC(=O)COc1ccccc1F 240690a_100000210904_100000182486 [0,2,0,0,0,0|1,0,1]=4 11349 B16R1.400 CC(O)CNC(=O)COc1ccccc1F 527a_100000210904_100000182486 [0,2,0,0,0,0|1,0,1]=4 11350 B16R1.400 CC(O)CNC(=O)COc1ccccc1O 240690a_100000210904_100000183020 [0,2,0,0,0,0|1,0,1]=4 11351 B16R1.400 CC(O)CNC(=O)COc1ccccc1O 527a_100000210904_100000183020 [0,2,0,0,0,0|1,0,1]=4 11352 B16R1.400 CC(O)CNC(=O)CSc1ccccc1F 11a_100000210904_100000179528 [0,2,0,0,0,0|1,0,1]=4 11353 B16R1.400 CC(O)CNC(=O)CSc1ccccc1F 240690a_100000210904_100000179528 [0,2,0,0,0,0|1,0,1]=4 11354 B16R1.400 CC(O)CNC(=O)CSc1ccccc1O 240690a_100000210904_100000695322 [0,2,0,0,0,0|1,0,1]=4 11355 B16R1.400 CC(O)CNC(=O)CSc1ccccc1O 527a_100000210904_100000695322 [0,2,0,0,0,0|1,0,1]=4 11356 B16R1.400 CC(O)CNC(=O)NCc1ccccc1Br 2708a_100000689332_100000210904 [0,2,0,0,0,0|1,0,1]=4 11357 B16R1.400 CC(O)CNC(=O)NCc1ccccc1Br 273464a_100000210904_100000689332 [0,2,0,0,0,0|1,0,1]=4 11358 B16R1.400 CC(O)CNC(=O)NCc1ccccc1Br 273464a_100000689332_100000210904 [0,2,0,0,0,0|1,0,1]=4 11359 B16R1.400 CC(O)CNC(=O)NCc1ccccc1Br 512a_100000210904_100000689332 [0,2,0,0,0,0|1,0,1]=4 11360 B16R1.400 CC(O)CNC(=O)NCc1ccccc1Br 512a_100000689332_100000210904 [0,2,0,0,0,0|1,0,1]=4 11361 B16R1.400 CC(O)CNC(=O)NCc1ccccc1Cl 2708a_100000174879_100000210904 [0,2,0,0,0,0|1,0,1]=4 11362 B16R1.400 CC(O)CNC(=O)NCc1ccccc1Cl 273464a_100000174879_100000210904 [0,2,0,0,0,0|1,0,1]=4 11363 B16R1.400 CC(O)CNC(=O)NCc1ccccc1Cl 273464a_100000210904_100000174879 [0,2,0,0,0,0|1,0,1]=4 11364 B16R1.400 CC(O)CNC(=O)NCc1ccccc1Cl 512a_100000210904_100000174879 [0,2,0,0,0,0|1,0,1]=4 11365 B16R1.400 CC(O)CNC(=O)NCc1ccccc1F 2708a_100000174869_100000210904 [0,2,0,0,0,0|1,0,1]=4 11366 B16R1.400 CC(O)CNC(=O)NCc1ccccc1F 273464a_100000174869_100000210904 [0,2,0,0,0,0|1,0,1]=4 11367 B16R1.400 CC(O)CNC(=O)NCc1ccccc1F 273464a_100000210904_100000174869 [0,2,0,0,0,0|1,0,1]=4 11368 B16R1.400 CC(O)CNC(=O)NCc1ccccc1F 512a_100000174869_100000210904 [0,2,0,0,0,0|1,0,1]=4 11369 B16R1.400 CC(O)CNC(=O)NCc1ccccc1F 512a_100000210904_100000174869 [0,2,0,0,0,0|1,0,1]=4 11370 B16R1.400 CC(O)CNC(=O)NCc1ccccc1I 2708a_100015347259_100000210904 [0,2,0,0,0,0|1,0,1]=4 11371 B16R1.400 CC(O)CNC(=O)NCc1ccccc1I 273464a_100000210904_100015347259 [0,2,0,0,0,0|1,0,1]=4 11372 B16R1.400 CC(O)CNC(=O)NCc1ccccc1I 273464a_100015347259_100000210904 [0,2,0,0,0,0|1,0,1]=4 11373 B16R1.400 CC(O)CNC(=O)NCc1ccccc1I 512a_100000210904_100015347259 [0,2,0,0,0,0|1,0,1]=4 11374 B16R1.400 CC(O)CNC(=O)NCc1ccccc1I 512a_100015347259_100000210904 [0,2,0,0,0,0|1,0,1]=4 11375 B16R1.400 CC(O)CNC(=O)NCc1ccccc1O 2708a_100000185550_100000210904 [0,2,0,0,0,0|1,0,1]=4 11376 B16R1.400 CC(O)CNC(=O)NCc1ccccc1O 273464a_100000185550_100000210904 [0,2,0,0,0,0|1,0,1]=4 11377 B16R1.400 CC(O)CNC(=O)NCc1ccccc1O 273464a_100000210904_100000185550 [0,2,0,0,0,0|1,0,1]=4 11378 B16R1.400 CC(O)CNC(=O)NCc1ccccc1O 512a_100000185550_100000210904 [0,2,0,0,0,0|1,0,1]=4 11379 B16R1.400 CC(O)CNC(=O)NNc1ccccc1Br 273464a_100000210904_100000241748 [0,2,0,0,0,0|2,0,0]=4 11380 B16R1.400 CC(O)CNC(=O)NNc1ccccc1Br 512a_100000210904_100000241748 [0,2,0,0,0,0|2,0,0]=4 11381 B16R1.400 CC(O)CNC(=O)NNc1ccccc1Cl 273464a_100000210904_100000683529 [0,2,0,0,0,0|2,0,0]=4 11382 B16R1.400 CC(O)CNC(=O)NNc1ccccc1Cl 512a_100000210904_100000683529 [0,2,0,0,0,0|2,0,0]=4 11383 B16R1.400 CC(O)CNC(=O)NNc1ccccc1F 273464a_100000210904_100000239246 [0,2,0,0,0,0|2,0,0]=4 11384 B16R1.400 CC(O)CNC(=O)NNc1ccccc1F 512a_100000210904_100000239246 [0,2,0,0,0,0|2,0,0]=4 11385 B16R1.400 CC(O)CNC(=O)NNc1ccccc1I 273464a_100000210904_100011218156 [0,2,0,0,0,0|2,0,0]=4 11386 B16R1.400 CC(O)CNC(=O)NNc1ccccc1I 512a_100000210904_100011218156 [0,2,0,0,0,0|2,0,0]=4 11387 B16R1.400 Cc1ccccc1C=CC(=O)NCC(C)C 1626a_100000210953_100016266485 [0,2,0,0,0,0|1,0,0]=3 11388 B16R1.400 Cc1ccccc1C=CC(=O)NCC(F)F 1626a_100000765723_100016266485 [0,2,0,0,0,0|1,0,0]=3 11389 B16R1.400 Cc1ccccc1C=CC(=O)NNC(C)C 22a_100000741168_100016266485 [0,2,0,0,0,0|2,0,0]=4 11390 B16R1.400 Cc1ccccc1CCC(=O)NCC(C)O 11a_100000210904_100000748742 [0,2,0,0,0,0|0,0,2]=4 11391 B16R1.400 Cc1ccccc1CCC(=O)NCC(C)O 240690a_100000210904_100000748742 [0,2,0,0,0,0|0,0,2]=4 11392 B16R1.400 Cc1ccccc1CCC(=O)NCC(C)O 527a_100000210904_100000748742 [0,2,0,0,0,0|0,0,2]=4 11393 B16R1.400 Cc1ccccc1CNC(=O)NCC(C)O 2708a_100000174972_100000210904 [0,2,0,0,0,0|1,0,1]=4 11394 B16R1.400 Cc1ccccc1CNC(=O)NCC(C)O 273464a_100000174972_100000210904 [0,2,0,0,0,0|1,0,1]=4 11395 B16R1.400 Cc1ccccc1CNC(=O)NCC(C)O 273464a_100000210904_100000174972 [0,2,0,0,0,0|1,0,1]=4 11396 B16R1.400 Cc1ccccc1CNC(=O)NCC(C)O 512a_100000174972_100000210904 [0,2,0,0,0,0|1,0,1]=4 11397 B16R1.400 Cc1ccccc1CNC(=O)NCC(C)O 512a_100000210904_100000174972 [0,2,0,0,0,0|1,0,1]=4 11398 B16R1.400 Cc1ccccc1NNC(=O)NCC(C)O 273464a_100000210904_100000184220 [0,2,0,0,0,0|2,0,0]=4 11399 B16R1.400 Cc1ccccc1NNC(=O)NCC(C)O 512a_100000210904_100000184220 [0,2,0,0,0,0|2,0,0]=4 11400 B16R1.400 Cc1ccccc1OCC(=O)NCC(C)O 11a_100000210904_100000182418 [0,2,0,0,0,0|1,0,1]=4 11401 B16R1.400 Cc1ccccc1OCC(=O)NCC(C)O 240690a_100000210904_100000182418 [0,2,0,0,0,0|1,0,1]=4 11402 B16R1.400 Cc1ccccc1OCC(=O)NCC(C)O 527a_100000210904_100000182418 [0,2,0,0,0,0|1,0,1]=4 11403 B16R1.400 Cc1ccccc1SCC(=O)NCC(C)O 11a_100000210904_100000183026 [0,2,0,0,0,0|1,0,1]=4 11404 B16R1.400 Cc1ccccc1SCC(=O)NCC(C)O 240690a_100000210904_100000183026 [0,2,0,0,0,0|1,0,1]=4 11405 B16R1.400 Cc1ccccc1SCC(=O)NCC(C)O 527a_100000210904_100000183026 [0,2,0,0,0,0|1,0,1]=4 11406 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1Br 11a_100000711301_100000719032 [0,2,0,0,0,0|0,0,2]=4 11407 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1Br 240690a_100000711301_100000719032 [0,2,0,0,0,0|0,0,2]=4 11408 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1Cl 11a_100000711301_100000720304 [0,2,0,0,0,0|0,0,2]=4 11409 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1Cl 240690a_100000711301_100000720304 [0,2,0,0,0,0|0,0,2]=4 11410 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1F 11a_100000711301_100016256065 [0,2,0,0,0,0|0,0,2]=4 11411 B16R1.400 NC(=O)CNC(=O)C=Cc1ccccc1F 240690a_100000711301_100016256065 [0,2,0,0,0,0|0,0,2]=4 11412 B16R1.400 O=C(C=Cc1ccccc1Br)NCC(F)F 11a_100000765723_100000719032 [0,2,0,0,0,0|1,0,0]=3 11413 B16R1.400 O=C(C=Cc1ccccc1Br)NCC(F)F 1626a_100000765723_100000719032 [0,2,0,0,0,0|1,0,0]=3 11414 B16R1.400 O=C(C=Cc1ccccc1Br)NCC(F)F 240690a_100000765723_100000719032 [0,2,0,0,0,0|1,0,0]=3 11415 B16R1.400 O=C(C=Cc1ccccc1Cl)NCC(F)F 11a_100000765723_100000720304 [0,2,0,0,0,0|1,0,0]=3 11416 B16R1.400 O=C(C=Cc1ccccc1Cl)NCC(F)F 1626a_100000765723_100000720304 [0,2,0,0,0,0|1,0,0]=3 11417 B16R1.400 O=C(C=Cc1ccccc1Cl)NCC(F)F 240690a_100000765723_100000720304 [0,2,0,0,0,0|1,0,0]=3 11418 B16R1.400 O=C(C=Cc1ccccc1F)NCC(F)F 11a_100000765723_100016256065 [0,2,0,0,0,0|1,0,0]=3 11419 B16R1.400 O=C(C=Cc1ccccc1F)NCC(F)F 1626a_100000765723_100016256065 [0,2,0,0,0,0|1,0,0]=3 11420 B16R1.400 O=C(C=Cc1ccccc1F)NCC(F)F 240690a_100000765723_100016256065 [0,2,0,0,0,0|1,0,0]=3 11421 B16R1.1454 C#CCNC(=O)C=Cc1ccccc1C#N 11a_100000212058_100016294624 [0,2,0,0,0,0|1,0,1]=4 11422 B16R1.1454 C#CCNC(=O)C=Cc1ccccc1OC 11a_100000212058_100000182468 [0,2,0,0,0,0|1,0,1]=4 11423 B16R1.1454 C#CCNC(=O)C=Cc1ccccc1OC 1626a_100000212058_100000182468 [0,2,0,0,0,0|1,0,1]=4 11424 B16R1.1454 C#Cc1ccccc1CNC(=O)NCCO 2708a_100020634229_100000210304 [0,2,0,0,0,0|1,0,1]=4 11425 B16R1.1454 C#Cc1ccccc1CNC(=O)NCCO 273464a_100000210304_100020634229 [0,2,0,0,0,0|1,0,1]=4 11426 B16R1.1454 C#Cc1ccccc1CNC(=O)NCCO 273464a_100020634229_100000210304 [0,2,0,0,0,0|1,0,1]=4 11427 B16R1.1454 C#Cc1ccccc1CNC(=O)NCCO 512a_100020634229_100000210304 [0,2,0,0,0,0|1,0,1]=4 11428 B16R1.1454 C=CCNC(=O)C=Cc1ccccc1OC 1626a_100020586998_100000182468 [0,2,0,0,0,0|1,0,1]=4 11429 B16R1.1454 CCCCC(=O)C=Cc1ccccc1C#N 1458a_100016294624_100000210211 [0,2,0,0,0,0|2,0,0]=4 11430 B16R1.1454 CCCCC(=O)C=Cc1ccccc1OC 1458a_100000182468_100000210211 [0,2,0,0,0,0|2,0,0]=4 11431 B16R1.1454 CCCNC(=O)C=Cc1ccccc1C#N 11a_100020643023_100016294624 [0,2,0,0,0,0|1,0,0]=3 11432 B16R1.1454 CCCNC(=O)C=Cc1ccccc1OC 11a_100020643023_100000182468 [0,2,0,0,0,0|1,0,0]=3 11433 B16R1.1454 CCCNC(=O)C=Cc1ccccc1OC 1626a_100020643023_100000182468 [0,2,0,0,0,0|1,0,0]=3 11434 B16R1.1454 CCCNC(=O)C=Cc1cccnc1OC 11a_100020643023_100102601226 [0,2,0,0,0,0|2,0,0]=4 11435 B16R1.1454 CCCNC(=O)C=Cc1cccnc1OC 1626a_100020643023_100102601226 [0,2,0,0,0,0|2,0,0]=4 11436 B16R1.1454 CCNNC(=O)C=Cc1ccccc1C#N 22a_100000756455_100016294624 [0,2,0,0,0,0|2,0,0]=4 11437 B16R1.1454 CCNNC(=O)C=Cc1ccccc1OC 22a_100000756455_100000182468 [0,2,0,0,0,0|2,0,0]=4 11438 B16R1.1454 CCc1ccccc1NNC(=O)NCCO 273464a_100000210304_100000737054 [0,2,0,0,0,0|2,0,0]=4 11439 B16R1.1454 CCc1ccccc1OCC(=O)NCCO 240690a_100000210304_100000182566 [0,2,0,0,0,0|1,0,1]=4 11440 B16R1.1454 CCc1ccccc1OCC(=O)NCCO 527a_100000210304_100000182566 [0,2,0,0,0,0|1,0,1]=4 11441 B16R1.1454 COc1ccccc1C=CC(=O)CCCF 1458a_100000182468_100011934791 [0,2,0,0,0,0|2,0,0]=4 11442 B16R1.1454 COc1ccccc1C=CC(=O)CCCO 1458a_100000182468_100011215043 [0,2,0,0,0,0|1,0,0]=3 11443 B16R1.1454 COc1ccccc1C=CC(=O)NCC#N 1626a_100000734998_100000182468 [0,2,0,0,0,0|1,0,1]=4 11444 B16R1.1454 COc1ccccc1C=CC(=O)NCCF 11a_100000724931_100000182468 [0,2,0,0,0,0|1,0,0]=3 11445 B16R1.1454 COc1ccccc1C=CC(=O)NCCF 1626a_100000724931_100000182468 [0,2,0,0,0,0|1,0,0]=3 11446 B16R1.1454 COc1ccccc1CCC(=O)NCCO 240690a_100000210304_100000184355 [0,2,0,0,0,0|0,0,2]=4 11447 B16R1.1454 COc1ccccc1CCC(=O)NCCO 527a_100000210304_100000184355 [0,2,0,0,0,0|0,0,2]=4 11448 B16R1.1454 COc1ccccc1CNC(=O)NCCO 2708a_100000188900_100000210304 [0,2,0,0,0,0|1,0,1]=4 11449 B16R1.1454 COc1ccccc1CNC(=O)NCCO 273464a_100000188900_100000210304 [0,2,0,0,0,0|1,0,1]=4 11450 B16R1.1454 COc1ccccc1CNC(=O)NCCO 273464a_100000210304_100000188900 [0,2,0,0,0,0|1,0,1]=4 11451 B16R1.1454 COc1ccccc1CNC(=O)NCCO 512a_100000188900_100000210304 [0,2,0,0,0,0|1,0,1]=4 11452 B16R1.1454 COc1ccccc1NNC(=O)NCCO 273464a_100000210304_100000751209 [0,2,0,0,0,0|2,0,0]=4 11453 B16R1.1454 COc1ccccc1OCC(=O)NCCO 240690a_100000210304_100000182946 [0,2,0,0,0,0|1,0,1]=4 11454 B16R1.1454 COc1ccccc1OCC(=O)NCCO 527a_100000210304_100000182946 [0,2,0,0,0,0|1,0,1]=4 11455 B16R1.1454 COc1ncccc1C=CC(=O)CCCO 1458a_100102601226_100011215043 [0,2,0,0,0,0|2,0,0]=4 11456 B16R1.1454 COc1ncccc1C=CC(=O)NCCF 11a_100000724931_100102601226 [0,2,0,0,0,0|2,0,0]=4 11457 B16R1.1454 COc1ncccc1C=CC(=O)NCCF 1626a_100000724931_100102601226 [0,2,0,0,0,0|2,0,0]=4 11458 B16R1.1454 CSc1ccccc1CNC(=O)NCCO 2708a_102495365025_100000210304 [0,2,0,0,0,0|1,0,1]=4 11459 B16R1.1454 CSc1ccccc1CNC(=O)NCCO 273464a_100000210304_102495365025 [0,2,0,0,0,0|1,0,1]=4 11460 B16R1.1454 CSc1ccccc1CNC(=O)NCCO 273464a_102495365025_100000210304 [0,2,0,0,0,0|1,0,1]=4 11461 B16R1.1454 CSc1ccccc1CNC(=O)NCCO 512a_102495365025_100000210304 [0,2,0,0,0,0|1,0,1]=4 11462 B16R1.1454 N#Cc1ccccc1C=CC(=O)CCCF 1458a_100016294624_100011934791 [0,2,0,0,0,0|2,0,0]=4 11463 B16R1.1454 N#Cc1ccccc1C=CC(=O)CCCO 1458a_100016294624_100011215043 [0,2,0,0,0,0|1,0,0]=3 11464 B16R1.1454 N#Cc1ccccc1C=CC(=O)NCCF 11a_100000724931_100016294624 [0,2,0,0,0,0|1,0,0]=3 11465 B16R1.1454 N#Cc1ccccc1CCC(=O)NCCO 240690a_100000210304_100000025266 [0,2,0,0,0,0|0,0,2]=4 11466 B16R1.1454 N#Cc1ccccc1CCC(=O)NCCO 527a_100000210304_100000025266 [0,2,0,0,0,0|0,0,2]=4 11467 B16R1.1454 N#Cc1ccccc1CNC(=O)NCCO 2708a_100016989011_100000210304 [0,2,0,0,0,0|1,0,1]=4 11468 B16R1.1454 N#Cc1ccccc1CNC(=O)NCCO 273464a_100000210304_100016989011 [0,2,0,0,0,0|1,0,1]=4 11469 B16R1.1454 N#Cc1ccccc1CNC(=O)NCCO 273464a_100016989011_100000210304 [0,2,0,0,0,0|1,0,1]=4 11470 B16R1.1454 N#Cc1ccccc1CNC(=O)NCCO 512a_100016989011_100000210304 [0,2,0,0,0,0|1,0,1]=4 11471 B16R1.1454 N#Cc1ccccc1NNC(=O)NCCO 273464a_100000210304_100016988835 [0,2,0,0,0,0|2,0,0]=4 11472 B16R1.1454 N#Cc1ccccc1OCC(=O)NCCO 240690a_100000210304_100000182527 [0,2,0,0,0,0|1,0,1]=4 11473 B16R1.1454 N#Cc1ccccc1OCC(=O)NCCO 527a_100000210304_100000182527 [0,2,0,0,0,0|1,0,1]=4 11474 B16R1.1454 O=C(COc1ccccc1CO)NCCO 240690a_100000210304_200011894254 [0,2,0,0,0,0|1,0,1]=4 11475 B16R1.1454 O=C(NCCO)NCc1ccccc1CO 273464a_100000210304_100000743596 [0,2,0,0,0,0|1,0,1]=4 11476 B16R1.1454 O=C(NCCO)NCc1ccccc1CO 273464a_100000743596_100000210304 [0,2,0,0,0,0|1,0,1]=4 11477 B16R1.1454 O=C(NCCO)NCc1ccccc1CO 512a_100000743596_100000210304 [0,2,0,0,0,0|1,0,1]=4 11478 B16R1.90074 C#CCNC(=O)C=Cc1c(cccc1Cl)Cl 11a_100000212058_100000185082 [0,2,0,0,0,0|1,0,1]=4 11479 B16R1.90074 C#CCNC(=O)C=Cc1c(cccc1Cl)Cl 1626a_100000212058_100000185082 [0,2,0,0,0,0|1,0,1]=4 11480 B16R1.90074 C#CCNC(=O)C=Cc1c(cccc1Cl)Cl 240690a_100000212058_100000185082 [0,2,0,0,0,0|1,0,1]=4 11481 B16R1.90074 C#CCNC(=O)C=Cc1c(cccc1Cl)F 11a_100000212058_100016278423 [0,2,0,0,0,0|1,0,1]=4 11482 B16R1.90074 C#CCNC(=O)C=Cc1c(cccc1Cl)F 1626a_100000212058_100016278423 [0,2,0,0,0,0|1,0,1]=4 11483 B16R1.90074 C#CCNC(=O)C=Cc1c(cccc1Cl)F 240690a_100000212058_100016278423 [0,2,0,0,0,0|1,0,1]=4 11484 B16R1.90074 C#CCNC(=O)C=Cc1c(cccc1F)F 11a_100000212058_100000738813 [0,2,0,0,0,0|1,0,1]=4 11485 B16R1.90074 C#CCNC(=O)C=Cc1c(cccc1F)F 1626a_100000212058_100000738813 [0,2,0,0,0,0|1,0,1]=4 11486 B16R1.90074 C#CCNC(=O)C=Cc1c(cccc1F)F 240690a_100000212058_100000738813 [0,2,0,0,0,0|1,0,1]=4 11487 B16R1.90074 C=CCNC(=O)C=Cc1c(cccc1Cl)Cl 1626a_100020586998_100000185082 [0,2,0,0,0,0|1,0,1]=4 11488 B16R1.90074 C=CCNC(=O)C=Cc1c(cccc1Cl)Cl 240690a_100020586998_100000185082 [0,2,0,0,0,0|1,0,1]=4 11489 B16R1.90074 C=CCNC(=O)C=Cc1c(cccc1Cl)F 1626a_100020586998_100016278423 [0,2,0,0,0,0|1,0,1]=4 11490 B16R1.90074 C=CCNC(=O)C=Cc1c(cccc1Cl)F 240690a_100020586998_100016278423 [0,2,0,0,0,0|1,0,1]=4 11491 B16R1.90074 C=CCNC(=O)C=Cc1c(cccc1F)F 1626a_100020586998_100000738813 [0,2,0,0,0,0|1,0,1]=4 11492 B16R1.90074 C=CCNC(=O)C=Cc1c(cccc1F)F 240690a_100020586998_100000738813 [0,2,0,0,0,0|1,0,1]=4 11493 B16R1.90074 CCCCC(=O)C=Cc1c(cccc1Cl)Cl 1458a_100000185082_100000210211 [0,2,0,0,0,0|2,0,0]=4 11494 B16R1.90074 CCCCC(=O)C=Cc1c(cccc1Cl)F 1458a_100016278423_100000210211 [0,2,0,0,0,0|2,0,0]=4 11495 B16R1.90074 CCCCC(=O)C=Cc1c(cccc1F)F 1458a_100000738813_100000210211 [0,2,0,0,0,0|2,0,0]=4 11496 B16R1.90074 CCCCC(=O)C=Cc1c(cccc1I)F 6a_100010178011_100000032102 [0,2,0,0,0,0|2,0,0]=4 11497 B16R1.90074 CCCNC(=O)C=Cc1c(cccc1Cl)Cl 11a_100020643023_100000185082 [0,2,0,0,0,0|1,0,0]=3 11498 B16R1.90074 CCCNC(=O)C=Cc1c(cccc1Cl)Cl 1626a_100020643023_100000185082 [0,2,0,0,0,0|1,0,0]=3 11499 B16R1.90074 CCCNC(=O)C=Cc1c(cccc1Cl)Cl 240690a_100020643023_100000185082 [0,2,0,0,0,0|1,0,0]=3 11500 B16R1.90074 CCCNC(=O)C=Cc1c(cccc1Cl)F 11a_100020643023_100016278423 [0,2,0,0,0,0|1,0,0]=3 11501 B16R1.90074 CCCNC(=O)C=Cc1c(cccc1Cl)F 1626a_100020643023_100016278423 [0,2,0,0,0,0|1,0,0]=3 11502 B16R1.90074 CCCNC(=O)C=Cc1c(cccc1Cl)F 240690a_100020643023_100016278423 [0,2,0,0,0,0|1,0,0]=3 11503 B16R1.90074 CCCNC(=O)C=Cc1c(cccc1F)F 11a_100020643023_100000738813 [0,2,0,0,0,0|1,0,0]=3 11504 B16R1.90074 CCCNC(=O)C=Cc1c(cccc1F)F 1626a_100020643023_100000738813 [0,2,0,0,0,0|1,0,0]=3 11505 B16R1.90074 CCCNC(=O)C=Cc1c(cccc1F)F 240690a_100020643023_100000738813 [0,2,0,0,0,0|1,0,0]=3 11506 B16R1.90074 CCNNC(=O)C=Cc1c(cccc1Cl)Cl 22a_100000756455_100000185082 [0,2,0,0,0,0|2,0,0]=4 11507 B16R1.90074 CCNNC(=O)C=Cc1c(cccc1Cl)F 22a_100000756455_100016278423 [0,2,0,0,0,0|2,0,0]=4 11508 B16R1.90074 CCNNC(=O)C=Cc1c(cccc1F)F 22a_100000756455_100000738813 [0,2,0,0,0,0|2,0,0]=4 11509 B16R1.90074 Cc1cccc(c1CCC(=O)NCCO)C 240690a_100000210304_200011998103 [0,2,0,0,0,0|0,0,2]=4 11510 B16R1.90074 Cc1cccc(c1CCC(=O)NCCO)C 527a_100000210304_200011998103 [0,2,0,0,0,0|0,0,2]=4 11511 B16R1.90074 Cc1cccc(c1CNC(=O)NCCO)C 2708a_100000689800_100000210304 [0,2,0,0,0,0|1,0,1]=4 11512 B16R1.90074 Cc1cccc(c1CNC(=O)NCCO)C 273464a_100000210304_100000689800 [0,2,0,0,0,0|1,0,1]=4 11513 B16R1.90074 Cc1cccc(c1CNC(=O)NCCO)C 273464a_100000689800_100000210304 [0,2,0,0,0,0|1,0,1]=4 11514 B16R1.90074 Cc1cccc(c1CNC(=O)NCCO)C 512a_100000689800_100000210304 [0,2,0,0,0,0|1,0,1]=4 11515 B16R1.90074 Cc1cccc(c1CNC(=O)NCCO)F 2708a_100000762012_100000210304 [0,2,0,0,0,0|1,0,1]=4 11516 B16R1.90074 Cc1cccc(c1CNC(=O)NCCO)F 273464a_100000210304_100000762012 [0,2,0,0,0,0|1,0,1]=4 11517 B16R1.90074 Cc1cccc(c1CNC(=O)NCCO)F 273464a_100000762012_100000210304 [0,2,0,0,0,0|1,0,1]=4 11518 B16R1.90074 Cc1cccc(c1CNC(=O)NCCO)F 512a_100000762012_100000210304 [0,2,0,0,0,0|1,0,1]=4 11519 B16R1.90074 Cc1cccc(c1NNC(=O)NCCO)C 273464a_100000210304_100016987787 [0,2,0,0,0,0|2,0,0]=4 11520 B16R1.90074 Cc1cccc(c1OCC(=O)NCCO)C 240690a_100000210304_100000184085 [0,2,0,0,0,0|1,0,1]=4 11521 B16R1.90074 Cc1cccc(c1OCC(=O)NCCO)C 527a_100000210304_100000184085 [0,2,0,0,0,0|1,0,1]=4 11522 B16R1.90074 N#CCNC(=O)C=Cc1c(cccc1Cl)Cl 1626a_100000734998_100000185082 [0,2,0,0,0,0|1,0,1]=4 11523 B16R1.90074 N#CCNC(=O)C=Cc1c(cccc1Cl)F 1626a_100000734998_100016278423 [0,2,0,0,0,0|1,0,1]=4 11524 B16R1.90074 N#CCNC(=O)C=Cc1c(cccc1F)F 1626a_100000734998_100000738813 [0,2,0,0,0,0|1,0,1]=4 11525 B16R1.90074 O=C(C=Cc1c(cccc1Cl)Cl)CCCF 1458a_100000185082_100011934791 [0,2,0,0,0,0|2,0,0]=4 11526 B16R1.90074 O=C(C=Cc1c(cccc1Cl)Cl)CCCO 1458a_100000185082_100011215043 [0,2,0,0,0,0|1,0,0]=3 11527 B16R1.90074 O=C(C=Cc1c(cccc1Cl)Cl)NCCF 11a_100000724931_100000185082 [0,2,0,0,0,0|1,0,0]=3 11528 B16R1.90074 O=C(C=Cc1c(cccc1Cl)Cl)NCCF 1626a_100000724931_100000185082 [0,2,0,0,0,0|1,0,0]=3 11529 B16R1.90074 O=C(C=Cc1c(cccc1Cl)Cl)NCCF 240690a_100000724931_100000185082 [0,2,0,0,0,0|1,0,0]=3 11530 B16R1.90074 O=C(C=Cc1c(cccc1Cl)Cl)NCCO 240690a_100000210304_100000185082 [0,2,0,0,0,0|0,0,0]=2 11531 B16R1.90074 O=C(C=Cc1c(cccc1Cl)F)CCCF 1458a_100016278423_100011934791 [0,2,0,0,0,0|2,0,0]=4 11532 B16R1.90074 O=C(C=Cc1c(cccc1Cl)F)CCCO 1458a_100016278423_100011215043 [0,2,0,0,0,0|1,0,0]=3 11533 B16R1.90074 O=C(C=Cc1c(cccc1Cl)F)NCCF 11a_100000724931_100016278423 [0,2,0,0,0,0|1,0,0]=3 11534 B16R1.90074 O=C(C=Cc1c(cccc1Cl)F)NCCF 1626a_100000724931_100016278423 [0,2,0,0,0,0|1,0,0]=3 11535 B16R1.90074 O=C(C=Cc1c(cccc1Cl)F)NCCF 240690a_100000724931_100016278423 [0,2,0,0,0,0|1,0,0]=3 11536 B16R1.90074 O=C(C=Cc1c(cccc1Cl)F)NCCO 240690a_100000210304_100016278423 [0,2,0,0,0,0|0,0,0]=2 11537 B16R1.90074 O=C(C=Cc1c(cccc1F)F)CCCF 1458a_100000738813_100011934791 [0,2,0,0,0,0|2,0,0]=4 11538 B16R1.90074 O=C(C=Cc1c(cccc1F)F)CCCO 1458a_100000738813_100011215043 [0,2,0,0,0,0|1,0,0]=3 11539 B16R1.90074 O=C(C=Cc1c(cccc1F)F)NCCF 11a_100000724931_100000738813 [0,2,0,0,0,0|1,0,0]=3 11540 B16R1.90074 O=C(C=Cc1c(cccc1F)F)NCCF 1626a_100000724931_100000738813 [0,2,0,0,0,0|1,0,0]=3 11541 B16R1.90074 O=C(C=Cc1c(cccc1F)F)NCCF 240690a_100000724931_100000738813 [0,2,0,0,0,0|1,0,0]=3 11542 B16R1.90074 O=C(C=Cc1c(cccc1F)F)NCCO 240690a_100000210304_100000738813 [0,2,0,0,0,0|0,0,0]=2 11543 B16R1.90074 O=C(C=Cc1c(cccc1I)F)CCCBr 6a_100010178011_100000685027 [0,2,0,0,0,0|2,0,0]=4 11544 B16R1.90074 O=C(C=Cc1c(cccc1I)F)CCCCl 6a_100010178011_100011215641 [0,2,0,0,0,0|2,0,0]=4 11545 B16R1.90074 O=C(CCc1c(cccc1Cl)Cl)NCCO 240690a_100000210304_100011225048 [0,2,0,0,0,0|0,0,2]=4 11546 B16R1.90074 O=C(CCc1c(cccc1Cl)Cl)NCCO 527a_100000210304_100011225048 [0,2,0,0,0,0|0,0,2]=4 11547 B16R1.90074 O=C(CCc1c(cccc1Cl)F)NCCO 240690a_100000210304_100011225049 [0,2,0,0,0,0|0,0,2]=4 11548 B16R1.90074 O=C(CCc1c(cccc1Cl)F)NCCO 527a_100000210304_100011225049 [0,2,0,0,0,0|0,0,2]=4 11549 B16R1.90074 O=C(CCc1c(cccc1F)F)NCCO 240690a_100000210304_100000738981 [0,2,0,0,0,0|0,0,2]=4 11550 B16R1.90074 O=C(CCc1c(cccc1F)F)NCCO 527a_100000210304_100000738981 [0,2,0,0,0,0|0,0,2]=4 11551 B16R1.90074 O=C(COc1c(cccc1Cl)Cl)NCCO 240690a_100000210304_100000184137 [0,2,0,0,0,0|1,0,1]=4 11552 B16R1.90074 O=C(COc1c(cccc1Cl)Cl)NCCO 527a_100000210304_100000184137 [0,2,0,0,0,0|1,0,1]=4 11553 B16R1.90074 O=C(CSc1c(cccc1Cl)Cl)NCCO 240690a_100000210304_100000184567 [0,2,0,0,0,0|1,0,1]=4 11554 B16R1.90074 O=C(CSc1c(cccc1Cl)Cl)NCCO 527a_100000210304_100000184567 [0,2,0,0,0,0|1,0,1]=4 11555 B16R1.90074 O=C(NCCO)NCc1c(cccc1Br)F 2708a_100012349121_100000210304 [0,2,0,0,0,0|1,0,1]=4 11556 B16R1.90074 O=C(NCCO)NCc1c(cccc1Br)F 273464a_100000210304_100012349121 [0,2,0,0,0,0|1,0,1]=4 11557 B16R1.90074 O=C(NCCO)NCc1c(cccc1Br)F 273464a_100012349121_100000210304 [0,2,0,0,0,0|1,0,1]=4 11558 B16R1.90074 O=C(NCCO)NCc1c(cccc1Br)F 512a_100012349121_100000210304 [0,2,0,0,0,0|1,0,1]=4 11559 B16R1.90074 O=C(NCCO)NCc1c(cccc1Cl)Cl 2708a_100000174884_100000210304 [0,2,0,0,0,0|1,0,1]=4 11560 B16R1.90074 O=C(NCCO)NCc1c(cccc1Cl)Cl 273464a_100000174884_100000210304 [0,2,0,0,0,0|1,0,1]=4 11561 B16R1.90074 O=C(NCCO)NCc1c(cccc1Cl)Cl 273464a_100000210304_100000174884 [0,2,0,0,0,0|1,0,1]=4 11562 B16R1.90074 O=C(NCCO)NCc1c(cccc1Cl)Cl 512a_100000174884_100000210304 [0,2,0,0,0,0|1,0,1]=4 11563 B16R1.90074 O=C(NCCO)NCc1c(cccc1Cl)F 2708a_100000174883_100000210304 [0,2,0,0,0,0|1,0,1]=4 11564 B16R1.90074 O=C(NCCO)NCc1c(cccc1Cl)F 273464a_100000174883_100000210304 [0,2,0,0,0,0|1,0,1]=4 11565 B16R1.90074 O=C(NCCO)NCc1c(cccc1Cl)F 273464a_100000210304_100000174883 [0,2,0,0,0,0|1,0,1]=4 11566 B16R1.90074 O=C(NCCO)NCc1c(cccc1Cl)F 512a_100000174883_100000210304 [0,2,0,0,0,0|1,0,1]=4 11567 B16R1.90074 O=C(NCCO)NCc1c(cccc1F)F 2708a_100000688400_100000210304 [0,2,0,0,0,0|1,0,1]=4 11568 B16R1.90074 O=C(NCCO)NCc1c(cccc1F)F 273464a_100000210304_100000688400 [0,2,0,0,0,0|1,0,1]=4 11569 B16R1.90074 O=C(NCCO)NCc1c(cccc1F)F 273464a_100000688400_100000210304 [0,2,0,0,0,0|1,0,1]=4 11570 B16R1.90074 O=C(NCCO)NCc1c(cccc1F)F 512a_100000688400_100000210304 [0,2,0,0,0,0|1,0,1]=4 11571 B16R1.90074 O=C(NCCO)NNc1c(cccc1Br)F 273464a_100000210304_100016994982 [0,2,0,0,0,0|2,0,0]=4 11572 B16R1.90074 O=C(NCCO)NNc1c(cccc1Cl)Cl 273464a_100000210304_100000688888 [0,2,0,0,0,0|2,0,0]=4 11573 B16R1.90074 O=C(NCCO)NNc1c(cccc1Cl)F 273464a_100000210304_100000703590 [0,2,0,0,0,0|2,0,0]=4 11574 B16R1.90074 O=C(NCCO)NNc1c(cccc1F)F 273464a_100000210304_100000757689 [0,2,0,0,0,0|2,0,0]=4 11575 B16R1.1771 CC(C)CNS(=O)(=O)C=Cc1ccccc1 40a_100000210953_100011098038 [0,2,0,0,0,0|2,0,0]=4 11576 B16R1.1771 CC(O)CNS(=O)(=O)C=Cc1ccccc1 40a_100000210904_100011098038 [0,2,0,0,0,0|1,0,0]=3 11577 B16R1.1771 O=S(=O)(C=Cc1ccccc1)NCC(F)F 40a_100000765723_100011098038 [0,2,0,0,0,0|2,0,0]=4 11578 B16R1.22556 CC(C)(C)CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000755188 [0,2,0,0,0,0|2,0,0]=4 11579 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccccc1 11a_100000743828_100000210462 [0,2,0,0,0,0|1,0,0]=3 11580 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccccc1 1626a_100000743828_100000210462 [0,2,0,0,0,0|1,0,0]=3 11581 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccccn1 11a_100000743828_100000740811 [0,2,0,0,0,0|2,0,0]=4 11582 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccccn1 240690a_100000743828_100000740811 [0,2,0,0,0,0|2,0,0]=4 11583 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1cccnc1 11a_100000743828_100000735890 [0,2,0,0,0,0|2,0,0]=4 11584 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1cccnc1 240690a_100000743828_100000735890 [0,2,0,0,0,0|2,0,0]=4 11585 B16R1.22556 CC(C)(C)CNC(=O)C=Cc1ccncc1 240690a_100000743828_100000682801 [0,2,0,0,0,0|2,0,0]=4 11586 B16R1.22556 CC(C)(C)NNC(=O)C=Cc1ccccc1 22a_100000725372_100000210462 [0,2,0,0,0,0|2,0,0]=4 11587 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccccc1 11a_100020643315_100000210462 [0,2,0,0,0,0|1,0,0]=3 11588 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccccc1 1626a_100020643315_100000210462 [0,2,0,0,0,0|1,0,0]=3 11589 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccccn1 11a_100020643315_100000740811 [0,2,0,0,0,0|2,0,0]=4 11590 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccccn1 240690a_100020643315_100000740811 [0,2,0,0,0,0|2,0,0]=4 11591 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1cccnc1 11a_100020643315_100000735890 [0,2,0,0,0,0|2,0,0]=4 11592 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1cccnc1 240690a_100020643315_100000735890 [0,2,0,0,0,0|2,0,0]=4 11593 B16R1.22556 CC(C)(F)CNC(=O)C=Cc1ccncc1 240690a_100020643315_100000682801 [0,2,0,0,0,0|2,0,0]=4 11594 B16R1.22556 CC(C)(O)CNC(=O)C#Cc1ccccc1 240690a_100000751335_100000736102 [0,2,0,0,0,0|0,0,2]=4 11595 B16R1.22556 CC(C)(O)CNC(=O)C=Cc1ccccc1 1626a_100000751335_100000210462 [0,2,0,0,0,0|0,0,0]=2 11596 B16R1.22556 CC(C)(O)CNC(=O)C=Cc1ccccn1 240690a_100000751335_100000740811 [0,2,0,0,0,0|1,0,0]=3 11597 B16R1.22556 CC(C)(O)CNC(=O)C=Cc1cccnc1 240690a_100000751335_100000735890 [0,2,0,0,0,0|1,0,0]=3 11598 B16R1.22556 CC(C)(O)CNC(=O)C=Cc1ccncc1 240690a_100000751335_100000682801 [0,2,0,0,0,0|1,0,0]=3 11599 B16R1.22556 CC(C)(O)CNC(=O)CCc1ccccc1 1626a_100000751335_100000185753 [0,2,0,0,0,0|0,0,2]=4 11600 B16R1.22556 CC(C)(O)CNC(=O)CCc1ccccc1 240690a_100000751335_100000185753 [0,2,0,0,0,0|0,0,2]=4 11601 B16R1.22556 CC(C)(O)CNC(=O)CCc1ccccc1 527a_100000751335_100000185753 [0,2,0,0,0,0|0,0,2]=4 11602 B16R1.22556 CC(C)(O)CNC(=O)COc1ccccc1 1626a_100000751335_100000186222 [0,2,0,0,0,0|1,0,1]=4 11603 B16R1.22556 CC(C)(O)CNC(=O)COc1ccccc1 240690a_100000751335_100000186222 [0,2,0,0,0,0|1,0,1]=4 11604 B16R1.22556 CC(C)(O)CNC(=O)COc1ccccc1 527a_100000751335_100000186222 [0,2,0,0,0,0|1,0,1]=4 11605 B16R1.22556 CC(C)(O)CNC(=O)CSc1ccccc1 1626a_100000751335_100000211596 [0,2,0,0,0,0|1,0,1]=4 11606 B16R1.22556 CC(C)(O)CNC(=O)CSc1ccccc1 240690a_100000751335_100000211596 [0,2,0,0,0,0|1,0,1]=4 11607 B16R1.22556 CC(C)(O)CNC(=O)CSc1ccccc1 527a_100000751335_100000211596 [0,2,0,0,0,0|1,0,1]=4 11608 B16R1.22556 CC(C)(O)CNC(=O)NCc1ccccc1 2708a_100015324214_100000751335 [0,2,0,0,0,0|1,0,1]=4 11609 B16R1.22556 CC(C)(O)CNC(=O)NCc1ccccc1 273464a_100015324214_100000751335 [0,2,0,0,0,0|1,0,1]=4 11610 B16R1.22556 CC(C)(O)CNC(=O)NCc1ccccc1 512a_100000751335_100015324214 [0,2,0,0,0,0|1,0,1]=4 11611 B16R1.22556 CC(C)(O)CNC(=O)NCc1ccccc1 512a_100015324214_100000751335 [0,2,0,0,0,0|1,0,1]=4 11612 B16R1.22556 CC(C)(O)CNC(=O)NNc1ccccc1 512a_100000751335_100015195140 [0,2,0,0,0,0|2,0,0]=4 11613 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1ccccc1 11a_100000731000_100000210462 [0,2,0,0,0,0|1,0,0]=3 11614 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1ccccc1 1626a_100000731000_100000210462 [0,2,0,0,0,0|1,0,0]=3 11615 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1ccccn1 11a_100000731000_100000740811 [0,2,0,0,0,0|2,0,0]=4 11616 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1ccccn1 240690a_100000731000_100000740811 [0,2,0,0,0,0|2,0,0]=4 11617 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1cccnc1 11a_100000731000_100000735890 [0,2,0,0,0,0|2,0,0]=4 11618 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1cccnc1 240690a_100000731000_100000735890 [0,2,0,0,0,0|2,0,0]=4 11619 B16R1.22556 CC(F)(F)CNC(=O)C=Cc1ccncc1 240690a_100000731000_100000682801 [0,2,0,0,0,0|2,0,0]=4 11620 B16R1.22556 C[Si](C)(C)CNC(=O)C=Cc1ccccc1 11a_102516607284_100000210462 [0,2,0,0,0,0|1,1,0]=4 11621 B16R1.22556 C[Si](C)(C)CNC(=O)C=Cc1ccccc1 1626a_102516607284_100000210462 [0,2,0,0,0,0|1,1,0]=4 11622 B16R1.22556 O=C(C=Cc1ccccc1)CCC(F)(F)F 1458a_100000210462_100011219754 [0,2,0,0,0,0|2,0,0]=4 11623 B16R1.22556 O=C(C=Cc1ccccc1)NCC(F)(F)F 11a_100000717047_100000210462 [0,2,0,0,0,0|1,0,0]=3 11624 B16R1.22556 O=C(C=Cc1ccccc1)NCC(F)(F)F 1626a_100000717047_100000210462 [0,2,0,0,0,0|1,0,0]=3 11625 B16R1.22556 O=C(C=Cc1ccccn1)NCC(F)(F)F 11a_100000717047_100000740811 [0,2,0,0,0,0|2,0,0]=4 11626 B16R1.22556 O=C(C=Cc1ccccn1)NCC(F)(F)F 240690a_100000717047_100000740811 [0,2,0,0,0,0|2,0,0]=4 11627 B16R1.22556 O=C(C=Cc1cccnc1)NCC(F)(F)F 11a_100000717047_100000735890 [0,2,0,0,0,0|2,0,0]=4 11628 B16R1.22556 O=C(C=Cc1cccnc1)NCC(F)(F)F 240690a_100000717047_100000735890 [0,2,0,0,0,0|2,0,0]=4 11629 B16R1.22556 O=C(C=Cc1ccncc1)NCC(F)(F)F 240690a_100000717047_100000682801 [0,2,0,0,0,0|2,0,0]=4 11630 B14R1.939 C#CCNC(=O)c1ccccc1C=C 1626a_100000212058_100011830265 [0,0,1,1,0,0|1,0,1]=4 11631 B14R1.939 C#Cc1ccccc1C(=O)NCCO 527a_100000210304_100011243808 [0,0,1,1,0,0|0,0,2]=4 11632 B14R1.939 C=CCNC(=O)c1ccccc1C=C 1626a_100020586998_100011830265 [0,0,1,1,0,0|1,0,1]=4 11633 B14R1.939 C=Cc1ccccc1C(=O)CCCC 1458a_100011830265_100000210211 [0,0,1,1,0,0|2,0,0]=4 11634 B14R1.939 C=Cc1ccccc1C(=O)CCCF 1458a_100011830265_100011934791 [0,0,1,1,0,0|2,0,0]=4 11635 B14R1.939 C=Cc1ccccc1C(=O)CCCO 1458a_100011830265_100011215043 [0,0,1,1,0,0|1,0,0]=3 11636 B14R1.939 C=Cc1ccccc1C(=O)NCC#N 1626a_100000734998_100011830265 [0,0,1,1,0,0|1,0,1]=4 11637 B14R1.939 C=Cc1ccccc1C(=O)NCCC 1626a_100020643023_100011830265 [0,0,1,1,0,0|1,0,0]=3 11638 B14R1.939 C=Cc1ccccc1C(=O)NCCC 271570a_100011290941_200000152266 [0,0,1,1,0,0|1,0,0]=3 11639 B14R1.939 C=Cc1ccccc1C(=O)NCCF 1626a_100000724931_100011830265 [0,0,1,1,0,0|1,0,0]=3 11640 B14R1.939 C=Cc1ccccc1C(=O)NCCO 271570a_100011290941_200000158863 [0,0,1,1,0,0|0,0,0]=2 11641 B14R1.939 C=Cc1ccccc1C(=O)NNCC 22a_100000756455_100011830265 [0,0,1,1,0,0|2,0,0]=4 11642 B14R1.939 C=Cc1ncccc1C(=O)NCCC 271570a_100011290941_100000161721 [0,0,1,1,0,0|2,0,0]=4 11643 B14R1.939 CCc1ccccc1C(=O)NCCO 240690a_100000210304_100000689120 [0,0,1,1,0,0|0,0,2]=4 11644 B14R1.939 CCc1ccccc1C(=O)NCCO 527a_100000210304_100000689120 [0,0,1,1,0,0|0,0,2]=4 11645 B14R1.939 CNc1ccccc1C(=O)NCCO 27a_100102657272_200000158863 [0,0,1,1,0,0|1,0,1]=4 11646 B14R1.939 COc1ccccc1C(=O)NCCO 240690a_100000210304_100000185835 [0,0,1,1,0,0|1,0,1]=4 11647 B14R1.939 COc1ccccc1C(=O)NCCO 527a_100000210304_100000185835 [0,0,1,1,0,0|1,0,1]=4 11648 B14R1.939 CSc1ccccc1C(=O)NCCO 240690a_100000210304_100000183967 [0,0,1,1,0,0|1,0,1]=4 11649 B14R1.939 CSc1ccccc1C(=O)NCCO 527a_100000210304_100000183967 [0,0,1,1,0,0|1,0,1]=4 11650 B14R1.939 CSc1ccccc1C(=O)NCCO 62a_200000158863_200000210301 [0,0,1,1,0,0|1,0,1]=4 11651 B14R1.939 CSc1ccccc1C(=O)NCCO 62a_200000210301_200000158863 [0,0,1,1,0,0|1,0,1]=4 11652 B14R1.939 N#Cc1ccccc1C(=O)NCCO 527a_100000210304_100000742908 [0,0,1,1,0,0|1,0,1]=4 11653 B14R1.939 O=Ic1ccccc1C(=O)NCCO 240690a_100000210304_100000032414 [0,0,1,1,0,0|2,0,0]=4 11654 B14R1.939 O=Ic1ccccc1C(=O)NCCO 527a_100000210304_100000032414 [0,0,1,1,0,0|2,0,0]=4 11655 B14R1.939 [13CH3]Sc1ccccc1C(=O)NCCO 62a_200000158863_200025704644 [0,0,1,1,0,0|1,0,1]=4 11656 B14R1.939 [13CH3]Sc1ccccc1C(=O)NCCO 62a_200025704644_200000158863 [0,0,1,1,0,0|1,0,1]=4 11657 B14R1.934 C#CCNC(=O)c1cccc(c1)C=C 11a_100000212058_100011215009 [0,0,1,1,0,0|1,0,1]=4 11658 B14R1.934 C#CCNC(=O)c1cccc(c1)C=C 1626a_100000212058_100011215009 [0,0,1,1,0,0|1,0,1]=4 11659 B14R1.934 C#CCNC(=O)c1cccc(c1)C=C 240690a_100000212058_100011215009 [0,0,1,1,0,0|1,0,1]=4 11660 B14R1.934 C#CCNC(=O)c1cccc(c1)C=C 527a_100000212058_100011215009 [0,0,1,1,0,0|1,0,1]=4 11661 B14R1.934 C#Cc1cccc(c1)C(=O)NCCO 240690a_100000210304_100011997762 [0,0,1,1,0,0|0,0,2]=4 11662 B14R1.934 C#Cc1cccc(c1)C(=O)NCCO 527a_100000210304_100011997762 [0,0,1,1,0,0|0,0,2]=4 11663 B14R1.934 C=CCNC(=O)c1cccc(c1)C=C 1626a_100020586998_100011215009 [0,0,1,1,0,0|1,0,1]=4 11664 B14R1.934 C=CCNC(=O)c1cccc(c1)C=C 240690a_100020586998_100011215009 [0,0,1,1,0,0|1,0,1]=4 11665 B14R1.934 C=CCNC(=O)c1cccc(c1)C=C 527a_100020586998_100011215009 [0,0,1,1,0,0|1,0,1]=4 11666 B14R1.934 C=Cc1cccc(c1)C(=O)CCCC 1458a_100011215009_100000210211 [0,0,1,1,0,0|2,0,0]=4 11667 B14R1.934 C=Cc1cccc(c1)C(=O)CCCF 1458a_100011215009_100011934791 [0,0,1,1,0,0|2,0,0]=4 11668 B14R1.934 C=Cc1cccc(c1)C(=O)CCCO 1458a_100011215009_100011215043 [0,0,1,1,0,0|1,0,0]=3 11669 B14R1.934 C=Cc1cccc(c1)C(=O)NCC#N 1626a_100000734998_100011215009 [0,0,1,1,0,0|1,0,1]=4 11670 B14R1.934 C=Cc1cccc(c1)C(=O)NCC#N 527a_100000734998_100011215009 [0,0,1,1,0,0|1,0,1]=4 11671 B14R1.934 C=Cc1cccc(c1)C(=O)NCCC 11a_100020643023_100011215009 [0,0,1,1,0,0|1,0,0]=3 11672 B14R1.934 C=Cc1cccc(c1)C(=O)NCCC 1626a_100020643023_100011215009 [0,0,1,1,0,0|1,0,0]=3 11673 B14R1.934 C=Cc1cccc(c1)C(=O)NCCC 240690a_100020643023_100011215009 [0,0,1,1,0,0|1,0,0]=3 11674 B14R1.934 C=Cc1cccc(c1)C(=O)NCCC 271570a_100011290941_200000152271 [0,0,1,1,0,0|1,0,0]=3 11675 B14R1.934 C=Cc1cccc(c1)C(=O)NCCC 527a_100020643023_100011215009 [0,0,1,1,0,0|1,0,0]=3 11676 B14R1.934 C=Cc1cccc(c1)C(=O)NCCF 11a_100000724931_100011215009 [0,0,1,1,0,0|1,0,0]=3 11677 B14R1.934 C=Cc1cccc(c1)C(=O)NCCF 1626a_100000724931_100011215009 [0,0,1,1,0,0|1,0,0]=3 11678 B14R1.934 C=Cc1cccc(c1)C(=O)NCCF 240690a_100000724931_100011215009 [0,0,1,1,0,0|1,0,0]=3 11679 B14R1.934 C=Cc1cccc(c1)C(=O)NCCF 527a_100000724931_100011215009 [0,0,1,1,0,0|1,0,0]=3 11680 B14R1.934 C=Cc1cccc(c1)C(=O)NCCO 240690a_100000210304_100011215009 [0,0,1,1,0,0|0,0,0]=2 11681 B14R1.934 C=Cc1cccc(c1)C(=O)NCCO 271570a_100011290941_200000158903 [0,0,1,1,0,0|0,0,0]=2 11682 B14R1.934 C=Cc1cccc(c1)C(=O)NCCO 527a_100000210304_100011215009 [0,0,1,1,0,0|0,0,0]=2 11683 B14R1.934 C=Cc1cccc(c1)C(=O)NNCC 22a_100000756455_100011215009 [0,0,1,1,0,0|2,0,0]=4 11684 B14R1.934 C=Cc1cncc(c1)C(=O)NCCC 271570a_100011290941_200000152275 [0,0,1,1,0,0|2,0,0]=4 11685 B14R1.934 CCc1cccc(c1)C(=O)NCCO 240690a_100000210304_100011933908 [0,0,1,1,0,0|0,0,2]=4 11686 B14R1.934 CCc1cccc(c1)C(=O)NCCO 527a_100000210304_100011933908 [0,0,1,1,0,0|0,0,2]=4 11687 B14R1.934 COc1cccc(c1)C(=O)NCCO 240690a_100000210304_100000188888 [0,0,1,1,0,0|1,0,1]=4 11688 B14R1.934 COc1cccc(c1)C(=O)NCCO 527a_100000210304_100000188888 [0,0,1,1,0,0|1,0,1]=4 11689 B14R1.934 CSc1cccc(c1)C(=O)NCCO 240690a_100000210304_100011217804 [0,0,1,1,0,0|1,0,1]=4 11690 B14R1.934 CSc1cccc(c1)C(=O)NCCO 527a_100000210304_100011217804 [0,0,1,1,0,0|1,0,1]=4 11691 B14R1.934 CSc1cccc(c1)C(=O)NCCO 62a_200000158903_200000210301 [0,0,1,1,0,0|1,0,1]=4 11692 B14R1.934 CSc1cccc(c1)C(=O)NCCO 62a_200000210301_200000158903 [0,0,1,1,0,0|1,0,1]=4 11693 B14R1.934 N#Cc1cccc(c1)C(=O)NCCO 240690a_100000210304_100000183950 [0,0,1,1,0,0|1,0,1]=4 11694 B14R1.934 N#Cc1cccc(c1)C(=O)NCCO 527a_100000210304_100000183950 [0,0,1,1,0,0|1,0,1]=4 11695 B14R1.934 O=C(NCCO)c1cccc(c1)CO 240690a_100000210304_100000746274 [0,0,1,1,0,0|1,0,1]=4 11696 B14R1.934 [13CH3]Sc1cccc(c1)C(=O)NCCO 62a_200000158903_200025704644 [0,0,1,1,0,0|1,0,1]=4 11697 B14R1.934 [13CH3]Sc1cccc(c1)C(=O)NCCO 62a_200025704644_200000158903 [0,0,1,1,0,0|1,0,1]=4 11698 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)Br 240690a_100000210304_100000689033 [0,0,1,1,0,0|1,0,1]=4 11699 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)Br 527a_100000210304_100000689033 [0,0,1,1,0,0|1,0,1]=4 11700 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)C 240690a_100000210304_100000195421 [0,0,1,1,0,0|0,0,2]=4 11701 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)C 527a_100000210304_100000195421 [0,0,1,1,0,0|0,0,2]=4 11702 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)Cl 240690a_100000210304_100011290873 [0,0,1,1,0,0|1,0,1]=4 11703 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)Cl 527a_100000210304_100011290873 [0,0,1,1,0,0|1,0,1]=4 11704 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)F 240690a_100000210304_100000749327 [0,0,1,1,0,0|1,0,1]=4 11705 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)F 527a_100000210304_100000749327 [0,0,1,1,0,0|1,0,1]=4 11706 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)I 240690a_100000210304_100000057929 [0,0,1,1,0,0|1,0,1]=4 11707 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)I 527a_100000210304_100000057929 [0,0,1,1,0,0|1,0,1]=4 11708 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)O 240690a_100000210304_100000229998 [0,0,1,1,0,0|1,0,1]=4 11709 B14R1.918 Cc1ccc(c(c1)C(=O)NCCO)O 527a_100000210304_100000229998 [0,0,1,1,0,0|1,0,1]=4 11710 B14R1.918 Cc1ccc(cc1C(=O)NCCO)Br 240690a_100000210304_100000759961 [0,0,1,1,0,0|1,0,1]=4 11711 B14R1.918 Cc1ccc(cc1C(=O)NCCO)Br 527a_100000210304_100000759961 [0,0,1,1,0,0|1,0,1]=4 11712 B14R1.918 Cc1ccc(cc1C(=O)NCCO)Cl 240690a_100000210304_100000692595 [0,0,1,1,0,0|1,0,1]=4 11713 B14R1.918 Cc1ccc(cc1C(=O)NCCO)Cl 527a_100000210304_100000692595 [0,0,1,1,0,0|1,0,1]=4 11714 B14R1.918 Cc1ccc(cc1C(=O)NCCO)F 240690a_100000210304_100000240043 [0,0,1,1,0,0|1,0,1]=4 11715 B14R1.918 Cc1ccc(cc1C(=O)NCCO)F 527a_100000210304_100000240043 [0,0,1,1,0,0|1,0,1]=4 11716 B14R1.918 Cc1ccc(cc1C(=O)NCCO)I 240690a_100000210304_100000688012 [0,0,1,1,0,0|1,0,1]=4 11717 B14R1.918 Cc1ccc(cc1C(=O)NCCO)I 527a_100000210304_100000688012 [0,0,1,1,0,0|1,0,1]=4 11718 B14R1.918 Cc1ccc(cc1C(=O)NCCO)O 240690a_100000210304_100000687834 [0,0,1,1,0,0|1,0,1]=4 11719 B14R1.918 O=C(NCCO)c1cc(ccc1Br)Br 240690a_100000210304_100000690610 [0,0,1,1,0,0|2,0,0]=4 11720 B14R1.918 O=C(NCCO)c1cc(ccc1Br)Br 527a_100000210304_100000690610 [0,0,1,1,0,0|2,0,0]=4 11721 B14R1.918 O=C(NCCO)c1cc(ccc1Br)Cl 240690a_100000210304_100000736951 [0,0,1,1,0,0|2,0,0]=4 11722 B14R1.918 O=C(NCCO)c1cc(ccc1Br)Cl 527a_100000210304_100000736951 [0,0,1,1,0,0|2,0,0]=4 11723 B14R1.918 O=C(NCCO)c1cc(ccc1Br)F 240690a_100000210304_100000212315 [0,0,1,1,0,0|2,0,0]=4 11724 B14R1.918 O=C(NCCO)c1cc(ccc1Br)F 527a_100000210304_100000212315 [0,0,1,1,0,0|2,0,0]=4 11725 B14R1.918 O=C(NCCO)c1cc(ccc1Br)I 240690a_100000210304_100000698340 [0,0,1,1,0,0|2,0,0]=4 11726 B14R1.918 O=C(NCCO)c1cc(ccc1Br)I 527a_100000210304_100000698340 [0,0,1,1,0,0|2,0,0]=4 11727 B14R1.918 O=C(NCCO)c1cc(ccc1Br)O 240690a_100000210304_100012352043 [0,0,1,1,0,0|2,0,0]=4 11728 B14R1.918 O=C(NCCO)c1cc(ccc1Br)O 527a_100000210304_100012352043 [0,0,1,1,0,0|2,0,0]=4 11729 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)Br 240690a_100000210304_100000211212 [0,0,1,1,0,0|2,0,0]=4 11730 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)Br 527a_100000210304_100000211212 [0,0,1,1,0,0|2,0,0]=4 11731 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)Cl 240690a_100000210304_100000210642 [0,0,1,1,0,0|2,0,0]=4 11732 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)Cl 527a_100000210304_100000210642 [0,0,1,1,0,0|2,0,0]=4 11733 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)F 240690a_100000210304_100011219680 [0,0,1,1,0,0|2,0,0]=4 11734 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)F 527a_100000210304_100011219680 [0,0,1,1,0,0|2,0,0]=4 11735 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)I 240690a_100000210304_100000688013 [0,0,1,1,0,0|2,0,0]=4 11736 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)I 527a_100000210304_100000688013 [0,0,1,1,0,0|2,0,0]=4 11737 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)O 240690a_100000210304_100000719527 [0,0,1,1,0,0|2,0,0]=4 11738 B14R1.918 O=C(NCCO)c1cc(ccc1Cl)O 527a_100000210304_100000719527 [0,0,1,1,0,0|2,0,0]=4 11739 B14R1.918 O=C(NCCO)c1cc(ccc1F)Br 240690a_100000210304_100000212322 [0,0,1,1,0,0|2,0,0]=4 11740 B14R1.918 O=C(NCCO)c1cc(ccc1F)Br 527a_100000210304_100000212322 [0,0,1,1,0,0|2,0,0]=4 11741 B14R1.918 O=C(NCCO)c1cc(ccc1F)Cl 240690a_100000210304_100000214954 [0,0,1,1,0,0|2,0,0]=4 11742 B14R1.918 O=C(NCCO)c1cc(ccc1F)Cl 527a_100000210304_100000214954 [0,0,1,1,0,0|2,0,0]=4 11743 B14R1.918 O=C(NCCO)c1cc(ccc1F)F 240690a_100000210304_100000198512 [0,0,1,1,0,0|2,0,0]=4 11744 B14R1.918 O=C(NCCO)c1cc(ccc1F)F 527a_100000210304_100000198512 [0,0,1,1,0,0|2,0,0]=4 11745 B14R1.918 O=C(NCCO)c1cc(ccc1F)I 240690a_100000210304_100000688014 [0,0,1,1,0,0|2,0,0]=4 11746 B14R1.918 O=C(NCCO)c1cc(ccc1F)I 527a_100000210304_100000688014 [0,0,1,1,0,0|2,0,0]=4 11747 B14R1.918 O=C(NCCO)c1cc(ccc1F)O 240690a_100000210304_100000037260 [0,0,1,1,0,0|2,0,0]=4 11748 B14R1.918 O=C(NCCO)c1cc(ccc1F)O 527a_100000210304_100000037260 [0,0,1,1,0,0|2,0,0]=4 11749 B14R1.918 O=C(NCCO)c1cc(ccc1I)Br 240690a_100000210304_100000183945 [0,0,1,1,0,0|2,0,0]=4 11750 B14R1.918 O=C(NCCO)c1cc(ccc1I)Cl 240690a_100000210304_100000739379 [0,0,1,1,0,0|2,0,0]=4 11751 B14R1.918 O=C(NCCO)c1cc(ccc1I)Cl 527a_100000210304_100000739379 [0,0,1,1,0,0|2,0,0]=4 11752 B14R1.918 O=C(NCCO)c1cc(ccc1I)F 240690a_100000210304_100000748905 [0,0,1,1,0,0|2,0,0]=4 11753 B14R1.918 O=C(NCCO)c1cc(ccc1I)F 527a_100000210304_100000748905 [0,0,1,1,0,0|2,0,0]=4 11754 B14R1.918 O=C(NCCO)c1cc(ccc1I)I 240690a_100000210304_100000750460 [0,0,1,1,0,0|2,0,0]=4 11755 B14R1.918 O=C(NCCO)c1cc(ccc1I)I 527a_100000210304_100000750460 [0,0,1,1,0,0|2,0,0]=4 11756 B14R1.918 O=C(NCCO)c1cc(ccc1I)O 240690a_100000210304_200009995701 [0,0,1,1,0,0|2,0,0]=4 11757 B14R1.918 O=C(NCCO)c1cc(ccc1I)O 527a_100000210304_200009995701 [0,0,1,1,0,0|2,0,0]=4 11758 B14R1.918 O=C(NCCO)c1cc(ccc1O)Br 240690a_100000210304_100000212140 [0,0,1,1,0,0|2,0,0]=4 11759 B14R1.918 O=C(NCCO)c1cc(ccc1O)Br 527a_100000210304_100000212140 [0,0,1,1,0,0|2,0,0]=4 11760 B14R1.918 O=C(NCCO)c1cc(ccc1O)Cl 240690a_100000210304_100000212143 [0,0,1,1,0,0|2,0,0]=4 11761 B14R1.918 O=C(NCCO)c1cc(ccc1O)Cl 527a_100000210304_100000212143 [0,0,1,1,0,0|2,0,0]=4 11762 B14R1.918 O=C(NCCO)c1cc(ccc1O)F 240690a_100000210304_100000742286 [0,0,1,1,0,0|2,0,0]=4 11763 B14R1.918 O=C(NCCO)c1cc(ccc1O)F 271570a_203496583355_200000206141 [0,0,1,1,0,0|2,0,0]=4 11764 B14R1.918 O=C(NCCO)c1cc(ccc1O)F 527a_100000210304_100000742286 [0,0,1,1,0,0|2,0,0]=4 11765 B14R1.918 O=C(NCCO)c1cc(ccc1O)I 240690a_100000210304_100000212111 [0,0,1,1,0,0|2,0,0]=4 11766 B14R1.918 O=C(NCCO)c1cc(ccc1O)I 527a_100000210304_100000212111 [0,0,1,1,0,0|2,0,0]=4 11767 B14R2.3 OCCOc1csc2c1cccc2 34a_100000077758_100000211926 [1,0,0,1,0,0|2,0,0]=4 11768 B14R2.3 OCCOc1csc2c1cccc2 7a_100000077758_100000211926 [1,0,0,1,0,0|2,0,0]=4 11769 B14R2.3 OCCSc1coc2c1cccc2 62a_100000211926_100009812202 [1,0,0,1,0,0|2,0,0]=4 11770 B14R2.3 OCCSc1csc2c1cccc2 62a_100000211926_100009813928 [1,0,0,1,0,0|2,0,0]=4 11771 B14R2.14 OCc1sccc1c2ccccc2 271570a_100011218836_100000702026 [1,0,0,1,0,0|1,0,1]=4 11772 B14R2.14 OCc1sccc1c2ccccc2 271570a_200009850424_100000210277 [1,0,0,1,0,0|1,0,1]=4 11773 B14R2.3018 C(=C/c1ccccc1)\CNC2CC2 34a_100000212008_100016265936 [1,0,0,1,0,0|1,0,1]=4 11774 B14R2.3018 C(=C/c1ccccc1)\CNC2CC2 34a_100020603302_100000211595 [1,0,0,1,0,0|1,0,1]=4 11775 B14R2.3019 C(=C/c1ccccc1)\CN2CCC2 269982a_100000754969_100016265936 [1,0,0,1,0,0|1,0,1]=4 11776 B14R2.16538 OCCNN=C1Cc2c1cccc2 4a_100000210001_100000051409 [1,0,0,1,0,0|1,0,1]=4 11777 B14R2.21 O=C1C=C(CCC1)c2ccccc2 271570a_100000723966_100000210277 [1,0,0,1,0,0|1,0,0]=3 11778 B14R2.21 O=C1C=C(CCC1)c2ccccn2 271570a_100000723966_100011216584 [1,0,0,1,0,0|2,0,0]=4 11779 B14R2.21 O=C1C=C(CCC1)c2cccnc2 271570a_100000723966_100000752921 [1,0,0,1,0,0|2,0,0]=4 11780 B14R2.21 O=C1C=C(CCC1)c2ccncc2 271570a_100000723966_100000035832 [1,0,0,1,0,0|2,0,0]=4 11781 B14R2.21 O=c1cc(cc[nH]1)c2ccccc2 271570a_100011218836_100009816521 [1,0,0,1,0,0|0,0,2]=4 11782 B14R2.21 O=c1cc(cn[nH]1)c2ccccc2 271570a_100011218836_100010197405 [1,0,0,1,0,0|1,0,1]=4 11783 B14R2.112 CCNc1ccc2ccccc2c1 34a_100000211940_100000210202 [1,0,0,1,0,0|1,0,0]=3 11784 B14R2.112 CCNc1ccc2ccccc2c1 7a_100000211940_100000210202 [1,0,0,1,0,0|1,0,0]=3 11785 B14R2.112 CCNc1ccc2ccccc2n1 27a_100015525214_100011291633 [1,0,0,1,0,0|1,0,0]=3 11786 B14R2.112 CCNc1ccc2cccnc2c1 34a_100102887122_100000210202 [1,0,0,1,0,0|2,0,0]=4 11787 B14R2.112 CCNc1ccc2cccnc2n1 27a_100015525214_100000075685 [1,0,0,1,0,0|2,0,0]=4 11788 B14R2.112 CCNc1ccc2ccncc2n1 27a_100015525214_100000020162 [1,0,0,1,0,0|2,0,0]=4 11789 B14R2.112 CCNc1ccc2cnccc2c1 34a_100000039641_100000210202 [1,0,0,1,0,0|2,0,0]=4 11790 B14R2.112 CCNc1ccc2ncccc2c1 34a_100011198106_100000210202 [1,0,0,1,0,0|2,0,0]=4 11791 B14R2.112 CCNc1ccc2ncccc2n1 27a_100015525214_100000073381 [1,0,0,1,0,0|2,0,0]=4 11792 B14R2.112 CCNc1cnc2ccccc2n1 27a_100015525214_100000756483 [1,0,0,1,0,0|2,0,0]=4 11793 B14R2.112 CCNc1ncc2ccccc2n1 27a_100015525214_100000097389 [1,0,0,1,0,0|2,0,0]=4 11794 B14R2.112 CCOc1ccc2ccccc2c1 34a_100000185828_100000210202 [1,0,0,1,0,0|2,0,0]=4 11795 B14R2.112 CCOc1ccc2ccccc2c1 7a_100000185828_100000210202 [1,0,0,1,0,0|2,0,0]=4 11796 B14R2.112 CCSc1ccc2ccccc2c1 62a_100000210202_100000233703 [1,0,0,1,0,0|2,0,0]=4 11797 B14R2.112 CCSc1ccc2ccccc2n1 62a_100000210202_100011291633 [1,0,0,1,0,0|2,0,0]=4 11798 B14R2.112 CCSc1ccc2ccccc2n1 62a_100011291633_100000210202 [1,0,0,1,0,0|2,0,0]=4 11799 B14R2.112 FCNc1ccc2ccccc2c1 34a_100000211940_100015361967 [1,0,0,1,0,0|2,0,0]=4 11800 B14R2.112 FCNc1ccc2ccccc2c1 7a_100000211940_100015361967 [1,0,0,1,0,0|2,0,0]=4 11801 B14R2.2899 O=C(CCc1ccccc1)C2CO2 1458a_100000701028_100000765856 [1,0,0,1,0,0|0,0,2]=4 11802 B14R2.2899 O=C(NCc1ccccc1)C2CO2 11a_100015324214_100000701028 [1,0,0,1,0,0|1,0,1]=4 11803 B14R2.2899 O=C(NCc1ccccc1)C2CO2 1626a_100015324214_100000701028 [1,0,0,1,0,0|1,0,1]=4 11804 B14R2.2899 O=C(NCc1ccccc1)C2CO2 240690a_100015324214_100000701028 [1,0,0,1,0,0|1,0,1]=4 11805 B14R2.2899 O=C(NCc1ccccc1)C2CO2 527a_100015324214_100000701028 [1,0,0,1,0,0|1,0,1]=4 11806 B14R2.2899 O=C(NNc1ccccc1)C2CO2 22a_100015195140_100000701028 [1,0,0,1,0,0|2,0,0]=4 11807 B14R2.33858 CCNC(=O)C1Cc2c1cccc2 11a_100015525214_200000238571 [1,0,0,1,0,0|0,0,2]=4 11808 B14R2.33858 CCNC(=O)C1Cc2c1cccc2 240690a_100015525214_200000238571 [1,0,0,1,0,0|0,0,2]=4 11809 B14R2.33858 CCNC(=O)C1Cc2c1cccc2 527a_100015525214_200000238571 [1,0,0,1,0,0|0,0,2]=4 11810 B14R2.33858 O=C(CCO)C1Cc2c1cccc2 1458a_200000238571_100000211926 [1,0,0,1,0,0|0,0,2]=4 11811 B14R2.67 OCCNc1nc2ccccc2[nH]1 27a_100000210304_100009814255 [0,0,0,1,1,0|2,0,0]=4 11812 B14R2.67 OCCNc1nc2ccccc2s1 27a_100000210304_100000751744 [0,0,0,1,1,0|1,1,0]=4 11813 B14R2.67 OCCSc1cc2ccccc2[nH]1 62a_100000211926_100010232065 [0,0,0,1,1,0|2,0,0]=4 11814 B14R2.67 OCCSc1cc2ccccc2o1 62a_100000211926_100010159458 [0,0,0,1,1,0|1,0,1]=4 11815 B14R2.67 OCCSc1cc2ccccc2s1 62a_100000211926_100009816949 [0,0,0,1,1,0|1,1,0]=4 11816 B14R2.9589 O=C(Cc1ccccc1)C2CCO2 1458a_100000089072_100015291786 [0,0,0,1,1,0|1,0,1]=4 11817 B14R2.9589 O=C(Nc1ccccc1)C2CCO2 11a_100000106764_100000089072 [0,0,0,1,1,0|2,0,0]=4 11818 B14R2.9589 O=C(Nc1ccccc1)C2CCO2 1626a_100000106764_100000089072 [0,0,0,1,1,0|2,0,0]=4 11819 B14R2.9589 O=C(Nc1ccccc1)C2CCO2 22a_100000106764_100000089072 [0,0,0,1,1,0|2,0,0]=4 11820 B14R2.9589 O=C(Nc1ccccc1)C2CCO2 527a_100000106764_100000089072 [0,0,0,1,1,0|2,0,0]=4 11821 B14R2.9589 O=C(Nc1ccccc1)N2CCC2 2430a_100000106764_100000754969 [0,0,0,1,1,0|2,0,0]=4 11822 B14R2.9593 O=C(Nc1ccccc1)NC2CC2 2430a_100000106764_100000212008 [0,0,0,1,1,0|2,0,0]=4 11823 B14R2.991 OCCNc1ccc2ccoc2c1 34a_100000102395_100000211926 [0,0,0,1,1,0|2,0,0]=4 11824 B14R2.991 OCCNc1ccc2occc2c1 34a_106430523501_100000211926 [0,0,0,1,1,0|2,0,0]=4 11825 B14R2.991 OCCNc1ccc2sccc2c1 34a_100000681076_100000211926 [0,0,0,1,1,0|2,0,0]=4 11826 B14R2.991 OCCNc1ccc2sccc2n1 27a_100000210304_100012000956 [0,0,0,1,1,0|2,0,0]=4 11827 B14R2.13184 O=C(C=Cc1cccs1)CC2CO2 1458a_100000182767_100011216344 [0,0,0,1,1,0|2,0,0]=4 11828 B14R2.13184 O=C(C=Cc1cccs1)C[C@@H]2CO2 1458a_100000182767_100000745022 [0,0,0,1,1,0|2,0,0]=4 11829 B14R2.13184 O=C(C=Cc1cccs1)NC2CC2 1626a_100000212008_100000182767 [0,0,0,1,1,0|2,0,0]=4 11830 B14R2.13184 O=C(C=Cc1cccs1)NC2CC2 240690a_100000212008_100000182767 [0,0,0,1,1,0|2,0,0]=4 11831 B14R2.13184 O=C(C=Cc1ccoc1)CC2CO2 1458a_100000238621_100011216344 [0,0,0,1,1,0|2,0,0]=4 11832 B14R2.13184 O=C(C=Cc1ccoc1)C[C@@H]2CO2 1458a_100000238621_100000745022 [0,0,0,1,1,0|2,0,0]=4 11833 B14R2.13184 O=C(C=Cc1ccoc1)NC2CC2 1626a_100000212008_100000238621 [0,0,0,1,1,0|2,0,0]=4 11834 B14R2.13184 O=C(C=Cc1ccoc1)NC2CC2 240690a_100000212008_100000238621 [0,0,0,1,1,0|2,0,0]=4 11835 B14R2.13184 O=C(C=Cc1ccsc1)CC2CO2 1458a_100000698588_100011216344 [0,0,0,1,1,0|2,0,0]=4 11836 B14R2.13184 O=C(C=Cc1ccsc1)C[C@@H]2CO2 1458a_100000698588_100000745022 [0,0,0,1,1,0|2,0,0]=4 11837 B14R2.13184 O=C(C=Cc1ccsc1)NC2CC2 1626a_100000212008_100000698588 [0,0,0,1,1,0|2,0,0]=4 11838 B14R2.13184 O=C(C=Cc1ccsc1)NC2CC2 240690a_100000212008_100000698588 [0,0,0,1,1,0|2,0,0]=4 11839 B14R2.13184 O=C(C=Cc1ccsc1)NC2CC2 527a_100000212008_100000698588 [0,0,0,1,1,0|2,0,0]=4 11840 B14R2.40225 O=C(C=Cc1cccs1)N2CCC2 11a_100000754969_100000182767 [0,0,0,1,1,0|2,0,0]=4 11841 B14R2.40225 O=C(C=Cc1cccs1)N2CCC2 240690a_100000754969_100000182767 [0,0,0,1,1,0|2,0,0]=4 11842 B14R2.40225 O=C(C=Cc1ccoc1)N2CCC2 11a_100000754969_100000238621 [0,0,0,1,1,0|2,0,0]=4 11843 B14R2.40225 O=C(C=Cc1ccoc1)N2CCC2 240690a_100000754969_100000238621 [0,0,0,1,1,0|2,0,0]=4 11844 B14R2.40225 O=C(C=Cc1ccsc1)N2CCC2 11a_100000754969_100000698588 [0,0,0,1,1,0|2,0,0]=4 11845 B14R2.40225 O=C(C=Cc1ccsc1)N2CCC2 240690a_100000754969_100000698588 [0,0,0,1,1,0|2,0,0]=4 11846 B14R2.40225 O=C(C=Cc1ccsc1)N2CCC2 527a_100000754969_100000698588 [0,0,0,1,1,0|2,0,0]=4 11847 B16R2.37 C#CCNC(=O)C1=CCc2c1cccc2 11a_100000212058_100000037392 [0,0,0,1,0,1|1,0,1]=4 11848 B16R2.37 C#CCNC(=O)C1=CCc2c1cccc2 1626a_100000212058_100000037392 [0,0,0,1,0,1|1,0,1]=4 11849 B16R2.37 C#CCNC(=O)C1=CCc2c1cccc2 240690a_100000212058_100000037392 [0,0,0,1,0,1|1,0,1]=4 11850 B16R2.37 C#CCNC(=O)C1C=Cc2c1cccc2 1626a_100000212058_200009832160 [0,0,0,1,0,1|1,0,1]=4 11851 B16R2.37 C#CCNC(=O)C1C=Cc2c1cccc2 240690a_100000212058_200009832160 [0,0,0,1,0,1|1,0,1]=4 11852 B16R2.37 C#CCNC(=O)C1C=Cc2c1cccc2 527a_100000212058_200009832160 [0,0,0,1,0,1|1,0,1]=4 11853 B16R2.37 C=CCNC(=O)C1=CCc2c1cccc2 1626a_100020586998_100000037392 [0,0,0,1,0,1|1,0,1]=4 11854 B16R2.37 C=CCNC(=O)C1=CCc2c1cccc2 240690a_100020586998_100000037392 [0,0,0,1,0,1|1,0,1]=4 11855 B16R2.37 C=CCNC(=O)C1C=Cc2c1cccc2 1626a_100020586998_200009832160 [0,0,0,1,0,1|1,0,1]=4 11856 B16R2.37 C=CCNC(=O)C1C=Cc2c1cccc2 240690a_100020586998_200009832160 [0,0,0,1,0,1|1,0,1]=4 11857 B16R2.37 C=CCNC(=O)C1C=Cc2c1cccc2 527a_100020586998_200009832160 [0,0,0,1,0,1|1,0,1]=4 11858 B16R2.37 CC(NCCO)c1coc2c1cccc2 269862a_100000210304_100000751042 [0,0,0,1,0,1|1,0,1]=4 11859 B16R2.37 CC(NCCO)c1csc2c1cccc2 269862a_100000210304_100000689785 [0,0,0,1,0,1|1,0,1]=4 11860 B16R2.37 CCCCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000210211 [0,0,0,1,0,1|2,0,0]=4 11861 B16R2.37 CCCCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210211 [0,0,0,1,0,1|2,0,0]=4 11862 B16R2.37 CCCNC(=O)C1=CCc2c1cccc2 11a_100020643023_100000037392 [0,0,0,1,0,1|1,0,0]=3 11863 B16R2.37 CCCNC(=O)C1=CCc2c1cccc2 1626a_100020643023_100000037392 [0,0,0,1,0,1|1,0,0]=3 11864 B16R2.37 CCCNC(=O)C1=CCc2c1cccc2 240690a_100020643023_100000037392 [0,0,0,1,0,1|1,0,0]=3 11865 B16R2.37 CCCNC(=O)C1C=Cc2c1cccc2 1626a_100020643023_200009832160 [0,0,0,1,0,1|1,0,0]=3 11866 B16R2.37 CCCNC(=O)C1C=Cc2c1cccc2 240690a_100020643023_200009832160 [0,0,0,1,0,1|1,0,0]=3 11867 B16R2.37 CCCNC(=O)C1C=Cc2c1cccc2 527a_100020643023_200009832160 [0,0,0,1,0,1|1,0,0]=3 11868 B16R2.37 CCNNC(=O)C1=CCc2c1cccc2 22a_100000756455_100000037392 [0,0,0,1,0,1|2,0,0]=4 11869 B16R2.37 N#CCNC(=O)C1=CCc2c1cccc2 1626a_100000734998_100000037392 [0,0,0,1,0,1|1,0,1]=4 11870 B16R2.37 N#CCNC(=O)C1C=Cc2c1cccc2 1626a_100000734998_200009832160 [0,0,0,1,0,1|1,0,1]=4 11871 B16R2.37 N#CCNC(=O)C1C=Cc2c1cccc2 527a_100000734998_200009832160 [0,0,0,1,0,1|1,0,1]=4 11872 B16R2.37 O=C(CCCF)C1=CCc2c1cccc2 1458a_100000037392_100011934791 [0,0,0,1,0,1|2,0,0]=4 11873 B16R2.37 O=C(CCCF)C1C=Cc2c1cccc2 1458a_200009832160_100011934791 [0,0,0,1,0,1|2,0,0]=4 11874 B16R2.37 O=C(CCCO)C1=CCc2c1cccc2 1458a_100000037392_100011215043 [0,0,0,1,0,1|1,0,0]=3 11875 B16R2.37 O=C(CCCO)C1C=Cc2c1cccc2 1458a_200009832160_100011215043 [0,0,0,1,0,1|1,0,0]=3 11876 B16R2.37 O=C(NCCF)C1=CCc2c1cccc2 11a_100000724931_100000037392 [0,0,0,1,0,1|1,0,0]=3 11877 B16R2.37 O=C(NCCF)C1=CCc2c1cccc2 1626a_100000724931_100000037392 [0,0,0,1,0,1|1,0,0]=3 11878 B16R2.37 O=C(NCCF)C1=CCc2c1cccc2 240690a_100000724931_100000037392 [0,0,0,1,0,1|1,0,0]=3 11879 B16R2.37 O=C(NCCF)C1C=Cc2c1cccc2 1626a_100000724931_200009832160 [0,0,0,1,0,1|1,0,0]=3 11880 B16R2.37 O=C(NCCF)C1C=Cc2c1cccc2 240690a_100000724931_200009832160 [0,0,0,1,0,1|1,0,0]=3 11881 B16R2.37 O=C(NCCF)C1C=Cc2c1cccc2 527a_100000724931_200009832160 [0,0,0,1,0,1|1,0,0]=3 11882 B16R2.37 O=C(NCCO)C1=CCc2c1cccc2 240690a_100000210304_100000037392 [0,0,0,1,0,1|0,0,0]=2 11883 B16R2.37 O=C(NCCO)C1C=Cc2c1cccc2 240690a_100000210304_200009832160 [0,0,0,1,0,1|0,0,0]=2 11884 B16R2.37 O=C(NCCO)C1C=Cc2c1cccc2 527a_100000210304_200009832160 [0,0,0,1,0,1|0,0,0]=2 11885 B16R2.37 O=C(NCCO)C1CCc2c1cccc2 240690a_100000210304_100000750891 [0,0,0,1,0,1|0,0,2]=4 11886 B16R2.37 O=C(NCCO)C1CCc2c1cccc2 527a_100000210304_100000750891 [0,0,0,1,0,1|0,0,2]=4 11887 B16R2.150 OCCNc1nc(cs1)c2ccccc2 27a_100000210304_100011830410 [0,0,0,1,0,1|1,0,0]=3 11888 B16R2.150 OCCNc1nc(cs1)c2ccccn2 27a_100000210304_100012352321 [0,0,0,1,0,1|2,0,0]=4 11889 B16R2.150 OCCNc1nc(cs1)c2ccncc2 27a_100000210304_200012352323 [0,0,0,1,0,1|2,0,0]=4 11890 B16R2.150 OCCNc1ncc(o1)c2ccccc2 27a_100000210304_100000729704 [0,0,0,1,0,1|0,0,1]=3 11891 B16R2.150 OCCNc1ncc(s1)c2ccccc2 27a_100000210304_100000685549 [0,0,0,1,0,1|0,1,0]=3 11892 B16R2.150 OCCNc1nnc(o1)c2ccccc2 27a_100000210304_100000240041 [0,0,0,1,0,1|1,0,1]=4 11893 B16R2.150 OCCNc1nnc(s1)c2ccccc2 27a_100000210304_100000694505 [0,0,0,1,0,1|1,1,0]=4 11894 B16R2.150 OCCNc1noc(n1)c2ccccc2 27a_100000210304_200000701163 [0,0,0,1,0,1|2,0,0]=4 11895 B16R2.150 OCCSc1c[nH]c(n1)c2ccccc2 62a_100000211926_200010210587 [0,0,0,1,0,1|2,0,0]=4 11896 B16R2.150 OCCSc1c[nH]c(n1)c2ccccc2 62a_200010210587_100000211926 [0,0,0,1,0,1|2,0,0]=4 11897 B16R2.150 OCCSc1ccc(s1)c2ccccc2 62a_100000211926_100009814279 [0,0,0,1,0,1|1,1,0]=4 11898 B16R2.150 OCCSc1ccc(s1)c2ccccc2 62a_100009814279_100000211926 [0,0,0,1,0,1|1,1,0]=4 11899 B16R2.150 OCCSc1cnc(o1)c2ccccc2 62a_100000211926_100009814072 [0,0,0,1,0,1|1,0,1]=4 11900 B16R2.150 OCCSc1cnc(s1)c2ccccc2 62a_100000211926_100000726391 [0,0,0,1,0,1|1,1,0]=4 11901 B16R2.150 OCCSc1cnc(s1)c2ccccc2 62a_100000726391_100000211926 [0,0,0,1,0,1|1,1,0]=4 11902 B16R2.150 OCCSc1coc(n1)c2ccccc2 62a_100000211926_100010163736 [0,0,0,1,0,1|2,0,0]=4 11903 B16R2.150 OCCSc1coc(n1)c2ccccc2 62a_100010163736_100000211926 [0,0,0,1,0,1|2,0,0]=4 11904 B16R2.150 OCCSc1nc(cs1)c2ccccc2 62a_100000211926_100011830410 [0,0,0,1,0,1|2,0,0]=4 11905 B16R2.150 OCCSc1nc(cs1)c2ccccc2 62a_100011830410_100000211926 [0,0,0,1,0,1|2,0,0]=4 11906 B16R2.150 OCCSc1ncc(o1)c2ccccc2 62a_100000211926_100000729704 [0,0,0,1,0,1|1,0,1]=4 11907 B16R2.150 OCCSc1ncc(s1)c2ccccc2 62a_100000211926_100000685549 [0,0,0,1,0,1|1,1,0]=4 11908 B16R2.150 OCCSc1ncc(s1)c2ccccc2 62a_100000685549_100000211926 [0,0,0,1,0,1|1,1,0]=4 11909 B16R2.2114 O=C(NCCO)[C@@H]1C[C@H]1c2ccccc2 240690a_100000210304_100009815801 [0,0,0,1,0,1|0,0,2]=4 11910 B16R2.2114 O=C(NCCO)[C@@H]1C[C@H]1c2ccccc2 527a_100000210304_100009815801 [0,0,0,1,0,1|0,0,2]=4 11911 B16R2.4103 CC1CC1C(=O)C/C=C/c2ccccc2 1458a_100000211227_100016265936 [0,0,0,1,0,1|2,0,0]=4 11912 B16R2.4103 O=C(C/C=C/c1ccccc1)[C@@H]2C[C@@H]2F 1458a_100015396687_100016265936 [0,0,0,1,0,1|2,0,0]=4 11913 B16R2.146976 O=C(C/C=C/c1ccccc1)C2CCC2 1458a_100000209988_100016265936 [0,0,0,1,0,1|2,0,0]=4 11914 B16R2.146976 O=C(C/C=C/c1ccccc1)C2CCC2 1458a_100011219626_100000749161 [0,0,0,1,0,1|2,0,0]=4 11915 B16R2.146976 O=C(C/C=C/c1ccccc1)C2CCO2 1458a_100000089072_100016265936 [0,0,0,1,0,1|1,0,0]=3 11916 B16R2.146976 O=C(C/C=C/c1ccccc1)N2CCC2 11a_100000754969_100011219626 [0,0,0,1,0,1|1,0,0]=3 11917 B16R2.146976 O=C(C/C=C/c1ccccc1)N2CCC2 240690a_100000754969_100011219626 [0,0,0,1,0,1|1,0,0]=3 11918 B16R2.146976 O=C(C=CSc1ccccc1)C2CCC2 1458a_100016262050_100000749161 [0,0,0,1,0,1|2,0,0]=4 11919 B16R2.146976 O=C(C=CSc1ccccc1)N2CCC2 11a_100000754969_100016262050 [0,0,0,1,0,1|1,0,0]=3 11920 B16R2.146976 O=C(C=CSc1ccccc1)N2CCC2 240690a_100000754969_100016262050 [0,0,0,1,0,1|1,0,0]=3 11921 B16R2.146980 O=C(C/C=C/c1ccccc1)CC2CC2 1458a_100000738066_100016265936 [0,0,0,1,0,1|2,0,0]=4 11922 B16R2.146980 O=C(C/C=C/c1ccccc1)CC2CC2 1458a_100011219626_100000742324 [0,0,0,1,0,1|2,0,0]=4 11923 B16R2.146980 O=C(C/C=C/c1ccccc1)CC2CO2 1458a_100011219626_100011216344 [0,0,0,1,0,1|1,0,0]=3 11924 B16R2.146980 O=C(C/C=C/c1ccccc1)CC2CS2 1458a_100011219626_100000031435 [0,0,0,1,0,1|1,1,0]=4 11925 B16R2.146980 O=C(C/C=C/c1ccccc1)C[C@@H]2CO2 1458a_100011219626_100000745022 [0,0,0,1,0,1|1,0,0]=3 11926 B16R2.146980 O=C(C/C=C/c1ccccc1)NC2CC2 1626a_100000212008_100011219626 [0,0,0,1,0,1|1,0,0]=3 11927 B16R2.146980 O=C(C/C=C/c1ccccc1)NC2CC2 240690a_100000212008_100011219626 [0,0,0,1,0,1|1,0,0]=3 11928 B16R2.146980 O=C(C=CSc1ccccc1)CC2CC2 1458a_100016262050_100000742324 [0,0,0,1,0,1|2,0,0]=4 11929 B16R2.146980 O=C(C=CSc1ccccc1)CC2CO2 1458a_100016262050_100011216344 [0,0,0,1,0,1|1,0,0]=3 11930 B16R2.146980 O=C(C=CSc1ccccc1)CC2CS2 1458a_100016262050_100000031435 [0,0,0,1,0,1|1,1,0]=4 11931 B16R2.146980 O=C(C=CSc1ccccc1)C[C@@H]2CO2 1458a_100016262050_100000745022 [0,0,0,1,0,1|1,0,0]=3 11932 B16R2.146980 O=C(C=CSc1ccccc1)NC2CC2 1626a_100000212008_100016262050 [0,0,0,1,0,1|1,0,0]=3 11933 B16R2.146980 O=C(C=CSc1ccccc1)NC2CC2 240690a_100000212008_100016262050 [0,0,0,1,0,1|1,0,0]=3 11934 B16R2.93 CCCn1nc(cc1c2ccccc2)C 271570a_100010069202_100000210277 [0,1,0,1,0,0|2,0,0]=4 11935 B16R2.296 CC1CCN1C(=O)C=Cc2ccccc2 11a_100000755817_100000210462 [0,1,0,1,0,0|1,0,0]=3 11936 B16R2.296 CC1CCN1C(=O)C=Cc2ccccn2 11a_100000755817_100000740811 [0,1,0,1,0,0|2,0,0]=4 11937 B16R2.296 CC1CCN1C(=O)C=Cc2ccccn2 240690a_100000755817_100000740811 [0,1,0,1,0,0|2,0,0]=4 11938 B16R2.296 CC1CCN1C(=O)C=Cc2cccnc2 11a_100000755817_100000735890 [0,1,0,1,0,0|2,0,0]=4 11939 B16R2.296 CC1CCN1C(=O)C=Cc2cccnc2 240690a_100000755817_100000735890 [0,1,0,1,0,0|2,0,0]=4 11940 B16R2.296 CC1CCN1C(=O)C=Cc2ccncc2 240690a_100000755817_100000682801 [0,1,0,1,0,0|2,0,0]=4 11941 B16R2.296 O=C(C=Cc1ccccc1)C2CCC2=O 1458a_100000210462_100009892977 [0,1,0,1,0,0|1,0,1]=4 11942 B16R2.2238 O=C(C=Cc1ccccc1)C2CCCC2 1458a_100000210462_100000179811 [0,1,0,1,0,0|2,0,0]=4 11943 B16R2.2238 O=C(C=Cc1ccccc1)C2CCOC2 1458a_100000210462_100000690089 [0,1,0,1,0,0|1,0,0]=3 11944 B16R2.2238 O=C(C=Cc1ccccc1)N2CC=CC2 1626a_100015195280_100000210462 [0,1,0,1,0,0|1,0,1]=4 11945 B16R2.2238 O=C(C=Cc1ccccc1)N2CCSC2 11a_100011215254_100000210462 [0,1,0,1,0,0|0,1,0]=3 11946 B16R2.2238 O=C(C=Cc1ccccn1)C2CCOC2 1458a_100000740811_100000690089 [0,1,0,1,0,0|2,0,0]=4 11947 B16R2.2238 O=C(C=Cc1ccccn1)N2CCCC2 240690a_100000188435_100000740811 [0,1,0,1,0,0|2,0,0]=4 11948 B16R2.2238 O=C(C=Cc1ccccn1)N2CCSC2 11a_100011215254_100000740811 [0,1,0,1,0,0|1,1,0]=4 11949 B16R2.2238 O=C(C=Cc1ccccn1)N2CCSC2 240690a_100011215254_100000740811 [0,1,0,1,0,0|1,1,0]=4 11950 B16R2.2238 O=C(C=Cc1cccnc1)C2CCOC2 1458a_100000735890_100000690089 [0,1,0,1,0,0|2,0,0]=4 11951 B16R2.2238 O=C(C=Cc1cccnc1)N2CCCC2 240690a_100000188435_100000735890 [0,1,0,1,0,0|2,0,0]=4 11952 B16R2.2238 O=C(C=Cc1cccnc1)N2CCSC2 11a_100011215254_100000735890 [0,1,0,1,0,0|1,1,0]=4 11953 B16R2.2238 O=C(C=Cc1cccnc1)N2CCSC2 240690a_100011215254_100000735890 [0,1,0,1,0,0|1,1,0]=4 11954 B16R2.2238 O=C(C=Cc1ccncc1)C2CCOC2 1458a_100000682801_100000690089 [0,1,0,1,0,0|2,0,0]=4 11955 B16R2.2238 O=C(C=Cc1ccncc1)N2CCCC2 240690a_100000188435_100000682801 [0,1,0,1,0,0|2,0,0]=4 11956 B16R2.2238 O=C(C=Cc1ccncc1)N2CCSC2 240690a_100011215254_100000682801 [0,1,0,1,0,0|1,1,0]=4 11957 B16R2.2441 C#CCCNc1ccc2ccccc2c1 34a_100000211940_100000688953 [0,1,0,1,0,0|2,0,0]=4 11958 B16R2.2441 C#CCCNc1ccc2ccccc2c1 7a_100000211940_100000688953 [0,1,0,1,0,0|2,0,0]=4 11959 B16R2.2441 C#CCCNc1ccc2ccccc2n1 27a_100000755551_100011291633 [0,1,0,1,0,0|2,0,0]=4 11960 B16R2.2441 C=CCCNc1ccc2ccccc2c1 34a_100000211940_100000754431 [0,1,0,1,0,0|2,0,0]=4 11961 B16R2.2441 C=CCCNc1ccc2ccccc2c1 7a_100000211940_100000754431 [0,1,0,1,0,0|2,0,0]=4 11962 B16R2.2441 C=CCCNc1ccc2ccccc2n1 27a_100015191253_100011291633 [0,1,0,1,0,0|2,0,0]=4 11963 B16R2.2441 CCCCNc1ccc2ccccc2c1 34a_100000211940_100000210210 [0,1,0,1,0,0|2,0,0]=4 11964 B16R2.2441 CCCCNc1ccc2ccccc2c1 7a_100000211940_100000210211 [0,1,0,1,0,0|2,0,0]=4 11965 B16R2.2441 CCCCNc1ccc2ccccc2n1 27a_100000102301_100011291633 [0,1,0,1,0,0|2,0,0]=4 11966 B16R2.2441 CCCNCc1ccc2ccccc2c1 207a_100020643023_100000211584 [0,1,0,1,0,0|2,0,0]=4 11967 B16R2.2441 CCCNCc1ccc2ccccc2c1 2230a_100000739491_100000210303 [0,1,0,1,0,0|2,0,0]=4 11968 B16R2.2441 CCCNCc1ccc2ccccc2c1 270004a_100020643023_100000211584 [0,1,0,1,0,0|2,0,0]=4 11969 B16R2.2441 CCCNCc1ccc2ccccc2c1 34a_100000739491_100000210303 [0,1,0,1,0,0|2,0,0]=4 11970 B16R2.2441 CCCNCc1ccc2ccccc2n1 207a_100020643023_100000759686 [0,1,0,1,0,0|2,0,0]=4 11971 B16R2.2441 CCCNCc1ccc2ccccc2n1 270004a_100020643023_100000759686 [0,1,0,1,0,0|2,0,0]=4 11972 B16R2.2441 COCCNc1ccc2ccccc2c1 34a_100000211940_100011201679 [0,1,0,1,0,0|1,0,0]=3 11973 B16R2.2441 COCCNc1ccc2ccccc2c1 7a_100000211940_100000233755 [0,1,0,1,0,0|1,0,0]=3 11974 B16R2.2441 COCCNc1ccc2ccccc2n1 27a_100000209980_100011291633 [0,1,0,1,0,0|1,0,0]=3 11975 B16R2.2441 COCCNc1ccc2cccnc2c1 34a_100102887122_100011201679 [0,1,0,1,0,0|2,0,0]=4 11976 B16R2.2441 COCCNc1ccc2cccnc2n1 27a_100000209980_100000075685 [0,1,0,1,0,0|2,0,0]=4 11977 B16R2.2441 COCCNc1ccc2ccncc2n1 27a_100000209980_100000020162 [0,1,0,1,0,0|2,0,0]=4 11978 B16R2.2441 COCCNc1ccc2cnccc2c1 34a_100000039641_100011201679 [0,1,0,1,0,0|2,0,0]=4 11979 B16R2.2441 COCCNc1ccc2ncccc2c1 34a_100011198106_100011201679 [0,1,0,1,0,0|2,0,0]=4 11980 B16R2.2441 COCCNc1ccc2ncccc2n1 27a_100000209980_100000073381 [0,1,0,1,0,0|2,0,0]=4 11981 B16R2.2441 COCCNc1cnc2ccccc2n1 27a_100000209980_100000756483 [0,1,0,1,0,0|2,0,0]=4 11982 B16R2.2441 COCCNc1ncc2ccccc2n1 27a_100000209980_100000097389 [0,1,0,1,0,0|2,0,0]=4 11983 B16R2.2441 COCCOc1ccc2ccccc2c1 34a_100000185828_100011201679 [0,1,0,1,0,0|2,0,0]=4 11984 B16R2.2441 COCCOc1ccc2ccccc2c1 34a_200011219602_200000210301 [0,1,0,1,0,0|2,0,0]=4 11985 B16R2.2441 COCCOc1ccc2ccccc2c1 7a_100000185828_100000233755 [0,1,0,1,0,0|2,0,0]=4 11986 B16R2.2441 COCCOc1ccc2ccccc2c1 7a_200011219602_200000210301 [0,1,0,1,0,0|2,0,0]=4 11987 B16R2.2441 COCCSc1ccc2ccccc2c1 62a_100000233755_100000233703 [0,1,0,1,0,0|2,0,0]=4 11988 B16R2.2441 COCCSc1ccc2ccccc2n1 62a_100000233755_100011291633 [0,1,0,1,0,0|2,0,0]=4 11989 B16R2.2441 COCCSc1ccc2ccccc2n1 62a_100011291633_100000233755 [0,1,0,1,0,0|2,0,0]=4 11990 B16R2.2441 CSCCNc1ccc2ccccc2c1 34a_100000211940_100000212216 [0,1,0,1,0,0|1,1,0]=4 11991 B16R2.2441 CSCCNc1ccc2ccccc2c1 7a_100000211940_100000212216 [0,1,0,1,0,0|1,1,0]=4 11992 B16R2.2441 CSCCNc1ccc2ccccc2n1 27a_100020590264_100011291633 [0,1,0,1,0,0|1,1,0]=4 11993 B16R2.2441 FCCCNc1ccc2ccccc2c1 34a_100000211940_100011934791 [0,1,0,1,0,0|2,0,0]=4 11994 B16R2.2441 FCCCNc1ccc2ccccc2c1 7a_100000211940_100011934791 [0,1,0,1,0,0|2,0,0]=4 11995 B16R2.2441 FCCCNc1ccc2ccccc2n1 27a_100015189416_100011291633 [0,1,0,1,0,0|2,0,0]=4 11996 B16R2.2441 FCCNCc1ccc2ccccc2c1 2230a_100000739491_100011217306 [0,1,0,1,0,0|2,0,0]=4 11997 B16R2.2441 FCCNCc1ccc2ccccc2c1 34a_100000724931_100011216711 [0,1,0,1,0,0|2,0,0]=4 11998 B16R2.2441 FCCNCc1ccc2ccccc2c1 34a_100000739491_100011217306 [0,1,0,1,0,0|2,0,0]=4 11999 B16R2.2441 FCCNCc1ccc2ccccc2n1 34a_100000724931_100000737579 [0,1,0,1,0,0|2,0,0]=4 12000 B16R2.2441 N#CCCNc1ccc2ccccc2c1 7a_100000211940_100000184422 [0,1,0,1,0,0|2,0,0]=4 12001 B16R2.2441 N#CCCNc1ccc2ccccc2n1 27a_100000720768_100011291633 [0,1,0,1,0,0|2,0,0]=4 12002 B16R2.2441 OCCCNc1ccc2ccccc2c1 34a_100000211940_100000230001 [0,1,0,1,0,0|1,0,0]=3 12003 B16R2.2441 OCCCNc1ccc2ccccc2c1 7a_100000211940_100011215043 [0,1,0,1,0,0|1,0,0]=3 12004 B16R2.2441 OCCCNc1ccc2ccccc2n1 27a_100000182051_100011291633 [0,1,0,1,0,0|1,0,0]=3 12005 B16R2.2441 OCCCNc1ccc2cccnc2c1 34a_100102887122_100000230001 [0,1,0,1,0,0|2,0,0]=4 12006 B16R2.2441 OCCCNc1ccc2cccnc2n1 27a_100000182051_100000075685 [0,1,0,1,0,0|2,0,0]=4 12007 B16R2.2441 OCCCNc1ccc2ccncc2n1 27a_100000182051_100000020162 [0,1,0,1,0,0|2,0,0]=4 12008 B16R2.2441 OCCCNc1ccc2cnccc2c1 34a_100000039641_100000230001 [0,1,0,1,0,0|2,0,0]=4 12009 B16R2.2441 OCCCNc1ccc2ncccc2c1 34a_100011198106_100000230001 [0,1,0,1,0,0|2,0,0]=4 12010 B16R2.2441 OCCCNc1ccc2ncccc2n1 27a_100000182051_100000073381 [0,1,0,1,0,0|2,0,0]=4 12011 B16R2.2441 OCCCNc1cnc2ccccc2n1 27a_100000182051_100000756483 [0,1,0,1,0,0|2,0,0]=4 12012 B16R2.2441 OCCCNc1ncc2ccccc2n1 27a_100000182051_100000097389 [0,1,0,1,0,0|2,0,0]=4 12013 B16R2.2441 OCCCOc1ccc2ccccc2c1 34a_100000185828_100000230001 [0,1,0,1,0,0|2,0,0]=4 12014 B16R2.2441 OCCCOc1ccc2ccccc2c1 7a_100000185828_100011215043 [0,1,0,1,0,0|2,0,0]=4 12015 B16R2.2441 OCCCSc1ccc2ccccc2c1 62a_100011215043_100000233703 [0,1,0,1,0,0|2,0,0]=4 12016 B16R2.2441 OCCCSc1ccc2ccccc2n1 62a_100011215043_100011291633 [0,1,0,1,0,0|2,0,0]=4 12017 B16R2.2441 OCCCSc1ccc2ccccc2n1 62a_100011291633_100011215043 [0,1,0,1,0,0|2,0,0]=4 12018 B16R2.2441 OCCNCc1cc2ccccc2cn1 207a_100000210304_100000059776 [0,1,0,1,0,0|2,0,0]=4 12019 B16R2.2441 OCCNCc1cc2ccccc2cn1 2230a_100016997473_100009869231 [0,1,0,1,0,0|2,0,0]=4 12020 B16R2.2441 OCCNCc1cc2ccccc2cn1 270004a_100000210304_100000059776 [0,1,0,1,0,0|2,0,0]=4 12021 B16R2.2441 OCCNCc1cc2ccccc2cn1 34a_100016990907_100009869231 [0,1,0,1,0,0|2,0,0]=4 12022 B16R2.2441 OCCNCc1ccc2ccccc2c1 207a_100000210304_100000211584 [0,1,0,1,0,0|1,0,0]=3 12023 B16R2.2441 OCCNCc1ccc2ccccc2c1 2230a_100000739491_100000211926 [0,1,0,1,0,0|1,0,0]=3 12024 B16R2.2441 OCCNCc1ccc2ccccc2c1 2230a_100016997473_100011216711 [0,1,0,1,0,0|1,0,0]=3 12025 B16R2.2441 OCCNCc1ccc2ccccc2c1 270004a_100000210304_100000211584 [0,1,0,1,0,0|1,0,0]=3 12026 B16R2.2441 OCCNCc1ccc2ccccc2c1 34a_100000739491_100000211926 [0,1,0,1,0,0|1,0,0]=3 12027 B16R2.2441 OCCNCc1ccc2ccccc2c1 34a_100016990907_100011216711 [0,1,0,1,0,0|1,0,0]=3 12028 B16R2.2441 OCCNCc1ccc2ccccc2n1 207a_100000210304_100000759686 [0,1,0,1,0,0|1,0,0]=3 12029 B16R2.2441 OCCNCc1ccc2ccccc2n1 2230a_100016997473_100000737579 [0,1,0,1,0,0|1,0,0]=3 12030 B16R2.2441 OCCNCc1ccc2ccccc2n1 270004a_100000210304_100000759686 [0,1,0,1,0,0|1,0,0]=3 12031 B16R2.2441 OCCNCc1ccc2ccccc2n1 34a_100016990907_100000737579 [0,1,0,1,0,0|1,0,0]=3 12032 B16R2.2441 OCCNCc1ccc2cccnc2c1 207a_100000210304_100011784159 [0,1,0,1,0,0|2,0,0]=4 12033 B16R2.2441 OCCNCc1ccc2cccnc2c1 270004a_100000210304_100011784159 [0,1,0,1,0,0|2,0,0]=4 12034 B16R2.2441 OCCNCc1ccc2cnccc2c1 207a_100000210304_100000068276 [0,1,0,1,0,0|2,0,0]=4 12035 B16R2.2441 OCCNCc1ccc2cnccc2c1 2230a_100016997473_100020605334 [0,1,0,1,0,0|2,0,0]=4 12036 B16R2.2441 OCCNCc1ccc2cnccc2c1 270004a_100000210304_100000068276 [0,1,0,1,0,0|2,0,0]=4 12037 B16R2.2441 OCCNCc1ccc2cnccc2c1 34a_100016990907_100020605334 [0,1,0,1,0,0|2,0,0]=4 12038 B16R2.2441 OCCNCc1ccc2ncccc2c1 207a_100000210304_100000211315 [0,1,0,1,0,0|2,0,0]=4 12039 B16R2.2441 OCCNCc1ccc2ncccc2c1 2230a_100016997473_100000703657 [0,1,0,1,0,0|2,0,0]=4 12040 B16R2.2441 OCCNCc1ccc2ncccc2c1 270004a_100000210304_100000211315 [0,1,0,1,0,0|2,0,0]=4 12041 B16R2.2441 OCCNCc1ccc2ncccc2c1 34a_100000238500_100000211926 [0,1,0,1,0,0|2,0,0]=4 12042 B16R2.2441 OCCNCc1ccc2ncccc2c1 34a_100016990907_100000703657 [0,1,0,1,0,0|2,0,0]=4 12043 B16R2.2441 OCCNCc1cnc2ccccc2c1 207a_100000210304_100000750898 [0,1,0,1,0,0|2,0,0]=4 12044 B16R2.2441 OCCNCc1cnc2ccccc2c1 270004a_100000210304_100000750898 [0,1,0,1,0,0|2,0,0]=4 12045 B16R2.2441 OCCNCc1cnc2ccccc2c1 34a_100000742225_100000211926 [0,1,0,1,0,0|2,0,0]=4 12046 B16R2.2441 OCCNCc1cnc2ccccc2n1 270004a_100000210304_100000204677 [0,1,0,1,0,0|2,0,0]=4 12047 B16R2.2441 OCCNCc1ncc2ccccc2n1 34a_100016990907_100009868571 [0,1,0,1,0,0|2,0,0]=4 12048 B16R2.2441 OCCOCc1ccc2ccccc2c1 34a_100011215330_100000211926 [0,1,0,1,0,0|2,0,0]=4 12049 B16R2.2441 OCCOCc1ccc2ccccc2c1 7a_100011215330_100000211926 [0,1,0,1,0,0|2,0,0]=4 12050 B16R2.2441 OCCSCc1ccc2ccccc2c1 62a_100000211926_100011216711 [0,1,0,1,0,0|2,0,0]=4 12051 B16R2.2441 OCCSCc1ccc2ccccc2c1 62a_100011216711_100000211926 [0,1,0,1,0,0|2,0,0]=4 12052 B16R2.2441 OCCSCc1ccc2ccccc2n1 62a_100000211926_100000737579 [0,1,0,1,0,0|2,0,0]=4 12053 B16R2.2441 OCCSCc1ccc2ccccc2n1 62a_100000737579_100000211926 [0,1,0,1,0,0|2,0,0]=4 12054 B16R2.2441 [13CH3]OCCOc1ccc2ccccc2c1 34a_200011219602_200025704644 [0,1,0,1,0,0|2,0,0]=4 12055 B16R2.2441 [13CH3]OCCOc1ccc2ccccc2c1 7a_200011219602_200025704644 [0,1,0,1,0,0|2,0,0]=4 12056 B16R2.2443 COc1c[nH]c(=O)cc1c2ccccc2 271570a_100011218836_100121573661 [0,1,0,1,0,0|0,0,2]=4 12057 B16R2.3193 O=C(C=Cc1ccccc1)N[C@@H]2C[C@H]2F 11a_100025746932_100000210462 [0,1,0,1,0,0|1,0,0]=3 12058 B16R2.3193 O=C(C=Cc1ccccc1)N[C@@H]2C[C@H]2F 1626a_100025746932_100000210462 [0,1,0,1,0,0|1,0,0]=3 12059 B16R2.3193 O=C(C=Cc1ccccn1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000740811 [0,1,0,1,0,0|2,0,0]=4 12060 B16R2.3193 O=C(C=Cc1ccccn1)N[C@@H]2C[C@H]2F 11a_100025746932_100000740811 [0,1,0,1,0,0|2,0,0]=4 12061 B16R2.3193 O=C(C=Cc1ccccn1)N[C@@H]2C[C@H]2F 240690a_100025746932_100000740811 [0,1,0,1,0,0|2,0,0]=4 12062 B16R2.3193 O=C(C=Cc1cccnc1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000735890 [0,1,0,1,0,0|2,0,0]=4 12063 B16R2.3193 O=C(C=Cc1cccnc1)N[C@@H]2C[C@H]2F 11a_100025746932_100000735890 [0,1,0,1,0,0|2,0,0]=4 12064 B16R2.3193 O=C(C=Cc1cccnc1)N[C@@H]2C[C@H]2F 240690a_100025746932_100000735890 [0,1,0,1,0,0|2,0,0]=4 12065 B16R2.3193 O=C(C=Cc1ccncc1)N[C@@H]2C[C@@H]2F 240690a_100015190264_100000682801 [0,1,0,1,0,0|2,0,0]=4 12066 B16R2.3193 O=C(C=Cc1ccncc1)N[C@@H]2C[C@H]2F 240690a_100025746932_100000682801 [0,1,0,1,0,0|2,0,0]=4 12067 B16R2.30013 CCCNc1c(ccc2c1cccc2)Br 34a_100009817101_100000210303 [0,1,0,1,0,0|2,0,0]=4 12068 B16R2.30013 CCCNc1c(ccc2c1cccc2)C 34a_100000688109_100000210303 [0,1,0,1,0,0|2,0,0]=4 12069 B16R2.30013 CCCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000210303 [0,1,0,1,0,0|2,0,0]=4 12070 B16R2.30013 CCCNc1c(ccc2c1cccc2)O 34a_100000007056_100000210303 [0,1,0,1,0,0|1,0,1]=4 12071 B16R2.30013 Cc1ccc2ccccc2c1NCCF 34a_100000688109_100011217306 [0,1,0,1,0,0|2,0,0]=4 12072 B16R2.30013 Cc1ccc2ccccc2c1NCCO 34a_100000688109_100000211926 [0,1,0,1,0,0|1,0,0]=3 12073 B16R2.30013 Cc1ccc2ccccc2c1OCCO 34a_100000039261_100000211926 [0,1,0,1,0,0|2,0,0]=4 12074 B16R2.30013 Cc1ccc2ccccc2c1OCCO 7a_100000039261_100000211926 [0,1,0,1,0,0|2,0,0]=4 12075 B16R2.30013 Cc1ccc2ccccc2c1SCCO 62a_100000211926_100000759710 [0,1,0,1,0,0|2,0,0]=4 12076 B16R2.30013 Cc1ccc2ccccc2c1SCCO 62a_100000759710_100000211926 [0,1,0,1,0,0|2,0,0]=4 12077 B16R2.30013 Cc1ccc2cccnc2c1NCCO 34a_100000065890_100000211926 [0,1,0,1,0,0|2,0,0]=4 12078 B16R2.30013 Cc1ccc2ncccc2c1NCCO 34a_100011933972_100000211926 [0,1,0,1,0,0|2,0,0]=4 12079 B16R2.30013 Cc1cnc2ccccc2c1NCCO 27a_100000210304_100000092342 [0,1,0,1,0,0|2,0,0]=4 12080 B16R2.30013 FCCNc1c(ccc2c1cccc2)Br 34a_100009817101_100011217306 [0,1,0,1,0,0|2,0,0]=4 12081 B16R2.30013 FCCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100011217306 [0,1,0,1,0,0|2,0,0]=4 12082 B16R2.30013 Nc1ccc2ccccc2c1OCCO 34a_100000007060_100000211926 [0,1,0,1,0,0|2,0,0]=4 12083 B16R2.30013 Nc1ccc2ccccc2c1SCCO 62a_100000211926_100000705303 [0,1,0,1,0,0|2,0,0]=4 12084 B16R2.30013 Nc1ccc2ccccc2c1SCCO 62a_100000705303_100000211926 [0,1,0,1,0,0|2,0,0]=4 12085 B16R2.30013 OCCNc1c(ccc2c1cccc2)Br 34a_100009817101_100000211926 [0,1,0,1,0,0|1,0,0]=3 12086 B16R2.30013 OCCNc1c(ccc2c1cccc2)Cl 34a_200009860907_100000211926 [0,1,0,1,0,0|1,0,0]=3 12087 B16R2.30013 OCCNc1c(ccc2c1cccc2)O 34a_100000007056_100000211926 [0,1,0,1,0,0|0,0,1]=3 12088 B16R2.30013 OCCOc1c(ccc2c1cccc2)Br 34a_100009996032_100000211926 [0,1,0,1,0,0|2,0,0]=4 12089 B16R2.30013 OCCOc1c(ccc2c1cccc2)Br 7a_100009996032_100000211926 [0,1,0,1,0,0|2,0,0]=4 12090 B16R2.30013 OCCSc1c(ccc2c1cccc2)Br 62a_100000211926_100010090040 [0,1,0,1,0,0|2,0,0]=4 12091 B16R2.30013 OCCSc1c(ccc2c1cccc2)Br 62a_100010090040_100000211926 [0,1,0,1,0,0|2,0,0]=4 12092 B16R2.30013 OCCSc1c(ccc2c1cccc2)O 62a_100000211926_100000183829 [0,1,0,1,0,0|1,0,1]=4 12093 B16R2.30013 Oc1ccc2ccccc2c1NCCF 34a_100000007056_100011217306 [0,1,0,1,0,0|1,0,1]=4 12094 B16R2.43746 COCCNC(=O)C1Cc2c1cccc2 1626a_100000209980_200000238571 [0,1,0,1,0,0|0,0,2]=4 12095 B16R2.43746 COCCNC(=O)C1Cc2c1cccc2 240690a_100000209980_200000238571 [0,1,0,1,0,0|0,0,2]=4 12096 B16R2.43746 COCCNC(=O)C1Cc2c1cccc2 527a_100000209980_200000238571 [0,1,0,1,0,0|0,0,2]=4 12097 B16R2.43746 O=C(NCCCO)C1Cc2c1cccc2 240690a_100000182051_200000238571 [0,1,0,1,0,0|0,0,2]=4 12098 B16R2.43746 O=C(NCCCO)C1Cc2c1cccc2 527a_100000182051_200000238571 [0,1,0,1,0,0|0,0,2]=4 12099 B16R2.43746 O=C(NNCCO)C1Cc2c1cccc2 22a_100000210001_200000238571 [0,1,0,1,0,0|0,0,2]=4 12100 B16R2.44148 O=C(C#Cc1ccccc1)NC2COC2 240690a_100016991112_100000736102 [0,1,0,1,0,0|0,0,2]=4 12101 B16R2.44148 O=C(C=Cc1ccccc1)CC2CCC2 1458a_100000210462_100000763275 [0,1,0,1,0,0|2,0,0]=4 12102 B16R2.44148 O=C(C=Cc1ccccc1)CC2CCO2 1458a_100000210462_100000103362 [0,1,0,1,0,0|1,0,0]=3 12103 B16R2.44148 O=C(C=Cc1ccccc1)CC2COC2 1458a_100000210462_100010264016 [0,1,0,1,0,0|1,0,0]=3 12104 B16R2.44148 O=C(C=Cc1ccccc1)NC2CCC2 11a_100000749019_100000210462 [0,1,0,1,0,0|1,0,0]=3 12105 B16R2.44148 O=C(C=Cc1ccccc1)NC2CCC2 1626a_100000749019_100000210462 [0,1,0,1,0,0|1,0,0]=3 12106 B16R2.44148 O=C(C=Cc1ccccc1)NC2COC2 11a_100016991112_100000210462 [0,1,0,1,0,0|0,0,0]=2 12107 B16R2.44148 O=C(C=Cc1ccccc1)NC2COC2 1626a_100016991112_100000210462 [0,1,0,1,0,0|0,0,0]=2 12108 B16R2.44148 O=C(C=Cc1ccccc1)NC2CSC2 11a_100016994217_100000210462 [0,1,0,1,0,0|0,1,0]=3 12109 B16R2.44148 O=C(C=Cc1ccccc1)NC2CSC2 1626a_100016994217_100000210462 [0,1,0,1,0,0|0,1,0]=3 12110 B16R2.44148 O=C(C=Cc1ccccn1)CC2CCO2 1458a_100000740811_100000103362 [0,1,0,1,0,0|2,0,0]=4 12111 B16R2.44148 O=C(C=Cc1ccccn1)CC2COC2 1458a_100000740811_100010264016 [0,1,0,1,0,0|2,0,0]=4 12112 B16R2.44148 O=C(C=Cc1ccccn1)NC2CCC2 11a_100000749019_100000740811 [0,1,0,1,0,0|2,0,0]=4 12113 B16R2.44148 O=C(C=Cc1ccccn1)NC2CCC2 240690a_100000749019_100000740811 [0,1,0,1,0,0|2,0,0]=4 12114 B16R2.44148 O=C(C=Cc1ccccn1)NC2COC2 11a_100016991112_100000740811 [0,1,0,1,0,0|1,0,0]=3 12115 B16R2.44148 O=C(C=Cc1ccccn1)NC2COC2 240690a_100016991112_100000740811 [0,1,0,1,0,0|1,0,0]=3 12116 B16R2.44148 O=C(C=Cc1ccccn1)NC2CSC2 11a_100016994217_100000740811 [0,1,0,1,0,0|1,1,0]=4 12117 B16R2.44148 O=C(C=Cc1ccccn1)NC2CSC2 240690a_100016994217_100000740811 [0,1,0,1,0,0|1,1,0]=4 12118 B16R2.44148 O=C(C=Cc1cccnc1)CC2CCO2 1458a_100000735890_100000103362 [0,1,0,1,0,0|2,0,0]=4 12119 B16R2.44148 O=C(C=Cc1cccnc1)CC2COC2 1458a_100000735890_100010264016 [0,1,0,1,0,0|2,0,0]=4 12120 B16R2.44148 O=C(C=Cc1cccnc1)NC2CCC2 11a_100000749019_100000735890 [0,1,0,1,0,0|2,0,0]=4 12121 B16R2.44148 O=C(C=Cc1cccnc1)NC2CCC2 240690a_100000749019_100000735890 [0,1,0,1,0,0|2,0,0]=4 12122 B16R2.44148 O=C(C=Cc1cccnc1)NC2COC2 11a_100016991112_100000735890 [0,1,0,1,0,0|1,0,0]=3 12123 B16R2.44148 O=C(C=Cc1cccnc1)NC2COC2 240690a_100016991112_100000735890 [0,1,0,1,0,0|1,0,0]=3 12124 B16R2.44148 O=C(C=Cc1cccnc1)NC2CSC2 11a_100016994217_100000735890 [0,1,0,1,0,0|1,1,0]=4 12125 B16R2.44148 O=C(C=Cc1cccnc1)NC2CSC2 240690a_100016994217_100000735890 [0,1,0,1,0,0|1,1,0]=4 12126 B16R2.44148 O=C(C=Cc1ccncc1)CC2CCO2 1458a_100000682801_100000103362 [0,1,0,1,0,0|2,0,0]=4 12127 B16R2.44148 O=C(C=Cc1ccncc1)CC2COC2 1458a_100000682801_100010264016 [0,1,0,1,0,0|2,0,0]=4 12128 B16R2.44148 O=C(C=Cc1ccncc1)NC2CCC2 240690a_100000749019_100000682801 [0,1,0,1,0,0|2,0,0]=4 12129 B16R2.44148 O=C(C=Cc1ccncc1)NC2COC2 240690a_100016991112_100000682801 [0,1,0,1,0,0|1,0,0]=3 12130 B16R2.44148 O=C(C=Cc1ccncc1)NC2CSC2 240690a_100016994217_100000682801 [0,1,0,1,0,0|1,1,0]=4 12131 B16R2.44148 O=C(CCc1ccccc1)NC2COC2 11a_100016991112_100000185753 [0,1,0,1,0,0|0,0,2]=4 12132 B16R2.44148 O=C(CCc1ccccc1)NC2COC2 1626a_100016991112_100000185753 [0,1,0,1,0,0|0,0,2]=4 12133 B16R2.44148 O=C(CCc1ccccc1)NC2COC2 240690a_100016991112_100000185753 [0,1,0,1,0,0|0,0,2]=4 12134 B16R2.44148 O=C(CCc1ccccc1)NC2COC2 527a_100016991112_100000185753 [0,1,0,1,0,0|0,0,2]=4 12135 B16R2.44148 O=C(COc1ccccc1)NC2COC2 11a_100016991112_100000186222 [0,1,0,1,0,0|1,0,1]=4 12136 B16R2.44148 O=C(COc1ccccc1)NC2COC2 1626a_100016991112_100000186222 [0,1,0,1,0,0|1,0,1]=4 12137 B16R2.44148 O=C(COc1ccccc1)NC2COC2 240690a_100016991112_100000186222 [0,1,0,1,0,0|1,0,1]=4 12138 B16R2.44148 O=C(COc1ccccc1)NC2COC2 527a_100016991112_100000186222 [0,1,0,1,0,0|1,0,1]=4 12139 B16R2.44148 O=C(CSc1ccccc1)NC2COC2 11a_100016991112_100000211596 [0,1,0,1,0,0|1,0,1]=4 12140 B16R2.44148 O=C(CSc1ccccc1)NC2COC2 1626a_100016991112_100000211596 [0,1,0,1,0,0|1,0,1]=4 12141 B16R2.44148 O=C(CSc1ccccc1)NC2COC2 240690a_100016991112_100000211596 [0,1,0,1,0,0|1,0,1]=4 12142 B16R2.44148 O=C(CSc1ccccc1)NC2COC2 527a_100016991112_100000211596 [0,1,0,1,0,0|1,0,1]=4 12143 B16R2.44148 O=C(NCc1ccccc1)NC2COC2 2708a_100015324214_100016991112 [0,1,0,1,0,0|1,0,1]=4 12144 B16R2.44148 O=C(NCc1ccccc1)NC2COC2 2708a_100016991112_100015324214 [0,1,0,1,0,0|1,0,1]=4 12145 B16R2.44148 O=C(NCc1ccccc1)NC2COC2 273464a_100015324214_100016991112 [0,1,0,1,0,0|1,0,1]=4 12146 B16R2.44148 O=C(NCc1ccccc1)NC2COC2 273464a_100016991112_100015324214 [0,1,0,1,0,0|1,0,1]=4 12147 B16R2.44148 O=C(NCc1ccccc1)NC2COC2 512a_100015324214_100016991112 [0,1,0,1,0,0|1,0,1]=4 12148 B16R2.44148 O=C(NCc1ccccc1)NC2COC2 512a_100016991112_100015324214 [0,1,0,1,0,0|1,0,1]=4 12149 B16R2.44148 O=C(NNc1ccccc1)NC2COC2 273464a_100016991112_100015195140 [0,1,0,1,0,0|2,0,0]=4 12150 B16R2.44148 O=C(NNc1ccccc1)NC2COC2 512a_100016991112_100015195140 [0,1,0,1,0,0|2,0,0]=4 12151 B16R2.44153 CC(=NNC1CC1)C=Cc2ccccc2 4a_100000701032_100000204604 [0,1,0,1,0,0|2,0,0]=4 12152 B16R2.44153 O=C(C=Cc1ccccc1)CCC2CC2 1458a_100000210462_100000694398 [0,1,0,1,0,0|2,0,0]=4 12153 B16R2.44153 O=C(C=Cc1ccccc1)CCC2CO2 1458a_100000210462_100000732470 [0,1,0,1,0,0|1,0,0]=3 12154 B16R2.44153 O=C(C=Cc1ccccc1)NCC2CC2 11a_100000735609_100000210462 [0,1,0,1,0,0|1,0,0]=3 12155 B16R2.44153 O=C(C=Cc1ccccc1)NCC2CC2 1626a_100000735609_100000210462 [0,1,0,1,0,0|1,0,0]=3 12156 B16R2.44153 O=C(C=Cc1ccccc1)NNC2CC2 22a_100000701032_100000210462 [0,1,0,1,0,0|1,0,0]=3 12157 B16R2.44153 O=C(C=Cc1ccccn1)CCC2CO2 1458a_100000740811_100000732470 [0,1,0,1,0,0|2,0,0]=4 12158 B16R2.44153 O=C(C=Cc1ccccn1)NCC2CC2 11a_100000735609_100000740811 [0,1,0,1,0,0|2,0,0]=4 12159 B16R2.44153 O=C(C=Cc1ccccn1)NCC2CC2 240690a_100000735609_100000740811 [0,1,0,1,0,0|2,0,0]=4 12160 B16R2.44153 O=C(C=Cc1ccccn1)NNC2CC2 22a_100000701032_100000740811 [0,1,0,1,0,0|2,0,0]=4 12161 B16R2.44153 O=C(C=Cc1cccnc1)CCC2CO2 1458a_100000735890_100000732470 [0,1,0,1,0,0|2,0,0]=4 12162 B16R2.44153 O=C(C=Cc1cccnc1)NCC2CC2 11a_100000735609_100000735890 [0,1,0,1,0,0|2,0,0]=4 12163 B16R2.44153 O=C(C=Cc1cccnc1)NCC2CC2 240690a_100000735609_100000735890 [0,1,0,1,0,0|2,0,0]=4 12164 B16R2.44153 O=C(C=Cc1cccnc1)NNC2CC2 22a_100000701032_100000735890 [0,1,0,1,0,0|2,0,0]=4 12165 B16R2.44153 O=C(C=Cc1ccncc1)CCC2CO2 1458a_100000682801_100000732470 [0,1,0,1,0,0|2,0,0]=4 12166 B16R2.44153 O=C(C=Cc1ccncc1)NCC2CC2 240690a_100000735609_100000682801 [0,1,0,1,0,0|2,0,0]=4 12167 B16R2.44153 O=C(C=Cc1ccncc1)NNC2CC2 22a_100000701032_100000682801 [0,1,0,1,0,0|2,0,0]=4 12168 B16R2.1054 CCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210303 [0,1,0,1,0,0|2,0,0]=4 12169 B16R2.1054 CCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210303 [0,1,0,1,0,0|2,0,0]=4 12170 B16R2.1054 Cc1cc(nc2c1cccc2)NCCO 27a_100000210304_100000184993 [0,1,0,1,0,0|1,0,0]=3 12171 B16R2.1054 Cc1cc(nc2c1cccc2)SCCO 62a_100000211926_100000184993 [0,1,0,1,0,0|2,0,0]=4 12172 B16R2.1054 Cc1cc(nc2c1cccc2)SCCO 62a_100012354972_100000211926 [0,1,0,1,0,0|2,0,0]=4 12173 B16R2.1054 Cc1nc(nc2c1cccc2)NCCO 27a_100000210304_100000046098 [0,1,0,1,0,0|2,0,0]=4 12174 B16R2.1054 FCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100011217306 [0,1,0,1,0,0|2,0,0]=4 12175 B16R2.1054 FCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100011217306 [0,1,0,1,0,0|2,0,0]=4 12176 B16R2.1054 Nc1cc(cc2c1cccc2)SCCO 62a_100000211926_100010171453 [0,1,0,1,0,0|2,0,0]=4 12177 B16R2.1054 Nc1cc(cc2c1cccc2)SCCO 62a_100010171453_100000211926 [0,1,0,1,0,0|2,0,0]=4 12178 B16R2.1054 Nc1cc(nc2c1cccc2)SCCO 62a_100010197925_100000211926 [0,1,0,1,0,0|2,0,0]=4 12179 B16R2.1054 Nc1nc(nc2c1cccc2)NCCO 27a_100000210304_100000690328 [0,1,0,1,0,0|2,0,0]=4 12180 B16R2.1054 O=c1cc([nH]c2c1cccc2)SCCO 62a_100000211926_100000090176 [0,1,0,1,0,0|2,0,0]=4 12181 B16R2.1054 O=c1cc(nc2n1cccc2)NCCO 27a_100000210304_100000707704 [0,1,0,1,0,0|2,0,0]=4 12182 B16R2.1054 OCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000211926 [0,1,0,1,0,0|1,0,0]=3 12183 B16R2.1054 OCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000211926 [0,1,0,1,0,0|1,0,0]=3 12184 B16R2.1054 OCCNc1cc(c2cnccc2c1)F 27a_100000210304_100011068762 [0,1,0,1,0,0|2,0,0]=4 12185 B16R2.1054 OCCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000211926 [0,1,0,1,0,0|2,0,0]=4 12186 B16R2.1054 OCCNc1nc(c2ccccc2n1)O 27a_100000210304_100000187174 [0,1,0,1,0,0|2,0,0]=4 12187 B16R2.1054 OCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000211926 [0,1,0,1,0,0|2,0,0]=4 12188 B16R2.1054 OCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000211926 [0,1,0,1,0,0|2,0,0]=4 12189 B16R2.1054 OCCSc1cc(c2ccccc2c1)O 62a_100000211926_100010089979 [0,1,0,1,0,0|2,0,0]=4 12190 B16R2.3896 O=C1NCCCC1C(=O)c2ccccc2 1458a_100000185807_100000687798 [0,1,0,1,0,0|1,0,1]=4 12191 B16R2.11321 CC(=CC(=O)C1CCC1)c2ccccc2 1458a_100000743005_100000749161 [0,1,0,1,0,0|2,0,0]=4 12192 B16R2.11321 CC(=CC(=O)N1CCC1)c2ccccc2 11a_100000754969_100000743005 [0,1,0,1,0,0|1,0,0]=3 12193 B16R2.11321 CC(=CC(=O)N1CCC1)c2ccccc2 240690a_100000754969_100000743005 [0,1,0,1,0,0|1,0,0]=3 12194 B16R2.11321 CC(=CC(=O)N1CCC1)c2ccccc2 527a_100000754969_100000743005 [0,1,0,1,0,0|1,0,0]=3 12195 B16R2.11321 O=C(CC(=O)C1CCO1)c2ccccc2 1458a_100000089072_100000211460 [0,1,0,1,0,0|1,0,1]=4 12196 B16R2.11321 O=C(CC(=O)N1CCC1)c2ccccc2 1458a_100000185807_100000185095 [0,1,0,1,0,0|1,0,1]=4 12197 B16R2.27712 CC(=CC(=O)CC1CC1)c2ccccc2 1458a_100000743005_100000742324 [0,1,0,1,0,0|2,0,0]=4 12198 B16R2.27712 CC(=CC(=O)CC1CO1)c2ccccc2 1458a_100000743005_100011216344 [0,1,0,1,0,0|1,0,0]=3 12199 B16R2.27712 CC(=CC(=O)CC1CS1)c2ccccc2 1458a_100000743005_100000031435 [0,1,0,1,0,0|1,1,0]=4 12200 B16R2.27712 CC(=CC(=O)C[C@@H]1CO1)c2ccccc2 1458a_100000743005_100000745022 [0,1,0,1,0,0|1,0,0]=3 12201 B16R2.27712 CC(=CC(=O)NC1CC1)c2ccccc2 1626a_100000212008_100000743005 [0,1,0,1,0,0|1,0,0]=3 12202 B16R2.27712 CC(=CC(=O)NC1CC1)c2ccccc2 240690a_100000212008_100000743005 [0,1,0,1,0,0|1,0,0]=3 12203 B16R2.27712 CC(=CC(=O)NC1CC1)c2ccccc2 527a_100000212008_100000743005 [0,1,0,1,0,0|1,0,0]=3 12204 B16R2.27712 O=C(CC(=O)c1ccccc1)NC2CC2 1458a_100000185807_100000182950 [0,1,0,1,0,0|1,0,1]=4 12205 B16R2.1293 CCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000210303 [0,1,0,1,0,0|2,0,0]=4 12206 B16R2.1293 Cc1cccc2c1cc(cc2)OCCO 34a_200000091600_100000211926 [0,1,0,1,0,0|2,0,0]=4 12207 B16R2.1293 Cc1cccc2c1cc(cc2)OCCO 7a_200000091600_100000211926 [0,1,0,1,0,0|2,0,0]=4 12208 B16R2.1293 Cc1cccc2c1cc(cc2)SCCO 62a_100000211926_100010089936 [0,1,0,1,0,0|2,0,0]=4 12209 B16R2.1293 Cc1cccc2c1nc(cc2)NCCO 27a_100000210304_100012002297 [0,1,0,1,0,0|1,0,0]=3 12210 B16R2.1293 Cc1cccc2c1nc(cc2)SCCO 62a_100000211926_100012002297 [0,1,0,1,0,0|2,0,0]=4 12211 B16R2.1293 Nc1cccc2c1cc(cc2)OCCO 34a_100000034012_100000211926 [0,1,0,1,0,0|2,0,0]=4 12212 B16R2.1293 Nc1cccc2c1cc(cc2)OCCO 7a_100000034012_100000211926 [0,1,0,1,0,0|2,0,0]=4 12213 B16R2.1293 Nc1cccc2c1cc(cc2)SCCO 62a_100000211926_100010090012 [0,1,0,1,0,0|2,0,0]=4 12214 B16R2.1293 Nc1cccc2c1cc(cc2)SCCO 62a_100010090012_100000211926 [0,1,0,1,0,0|2,0,0]=4 12215 B16R2.1293 O=c1ccoc2c1cc(cc2)NCCO 34a_100000088200_100000211926 [0,1,0,1,0,0|2,0,0]=4 12216 B16R2.1293 OCCNc1ccc2cccc(c2c1)O 34a_100132313934_100000211926 [0,1,0,1,0,0|1,0,0]=3 12217 B16R2.1293 OCCNc1ccc2cccc(c2n1)O 27a_100000210304_100010153751 [0,1,0,1,0,0|1,0,0]=3 12218 B16R2.1293 OCCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000211926 [0,1,0,1,0,0|2,0,0]=4 12219 B16R2.1293 OCCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000211926 [0,1,0,1,0,0|2,0,0]=4 12220 B16R2.1293 OCCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000211926 [0,1,0,1,0,0|2,0,0]=4 12221 B16R2.1293 OCCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000211926 [0,1,0,1,0,0|2,0,0]=4 12222 B16R2.1293 OCCOc1ccc2cccc(c2c1)F 34a_100000091619_100000211926 [0,1,0,1,0,0|2,0,0]=4 12223 B16R2.1293 OCCOc1ccc2cccc(c2c1)F 7a_100000091619_100000211926 [0,1,0,1,0,0|2,0,0]=4 12224 B16R2.1293 OCCSc1ccc2cccc(c2c1)O 62a_100000211926_100010089991 [0,1,0,1,0,0|2,0,0]=4 12225 B16R2.1293 OCCSc1ccc2cccc(c2n1)F 62a_100000211926_100012017632 [0,1,0,1,0,0|2,0,0]=4 12226 B16R2.1293 OCCSc1ccc2cccc(c2n1)O 62a_100000211926_100000013812 [0,1,0,1,0,0|2,0,0]=4 12227 B16R2.1293 Oc1cccc2c1cc(cc2)NCCF 34a_100132313934_100011217306 [0,1,0,1,0,0|2,0,0]=4 12228 B16R2.11914 Cc1cccc(c1)C=CC(=O)CC2CC2 1458a_100000690095_100000742324 [0,1,0,1,0,0|2,0,0]=4 12229 B16R2.11914 Cc1cccc(c1)C=CC(=O)CC2CO2 1458a_100000690095_100011216344 [0,1,0,1,0,0|1,0,0]=3 12230 B16R2.11914 Cc1cccc(c1)C=CC(=O)CC2CS2 1458a_100000690095_100000031435 [0,1,0,1,0,0|1,1,0]=4 12231 B16R2.11914 Cc1cccc(c1)C=CC(=O)C[C@@H]2CO2 1458a_100000690095_100000745022 [0,1,0,1,0,0|1,0,0]=3 12232 B16R2.11914 Cc1cccc(c1)C=CC(=O)NC2CC2 1626a_100000212008_100000690095 [0,1,0,1,0,0|1,0,0]=3 12233 B16R2.11914 Cc1cccc(c1)C=CC(=O)NC2CC2 240690a_100000212008_100000690095 [0,1,0,1,0,0|1,0,0]=3 12234 B16R2.11914 O=C(C=Cc1cccc(c1)Br)CC2CC2 1458a_100016258244_100000742324 [0,1,0,1,0,0|2,0,0]=4 12235 B16R2.11914 O=C(C=Cc1cccc(c1)Br)CC2CC2 6a_100000210085_200000686933 [0,1,0,1,0,0|2,0,0]=4 12236 B16R2.11914 O=C(C=Cc1cccc(c1)Br)CC2CO2 1458a_100016258244_100011216344 [0,1,0,1,0,0|1,0,0]=3 12237 B16R2.11914 O=C(C=Cc1cccc(c1)Br)CC2CS2 1458a_100016258244_100000031435 [0,1,0,1,0,0|1,1,0]=4 12238 B16R2.11914 O=C(C=Cc1cccc(c1)Br)C[C@@H]2CO2 1458a_100016258244_100000745022 [0,1,0,1,0,0|1,0,0]=3 12239 B16R2.11914 O=C(C=Cc1cccc(c1)Br)NC2CC2 1626a_100000212008_100016258244 [0,1,0,1,0,0|1,0,0]=3 12240 B16R2.11914 O=C(C=Cc1cccc(c1)Br)NC2CC2 240690a_100000212008_100016258244 [0,1,0,1,0,0|1,0,0]=3 12241 B16R2.11914 O=C(C=Cc1cccc(c1)Cl)CC2CC2 1458a_100000184502_100000742324 [0,1,0,1,0,0|2,0,0]=4 12242 B16R2.11914 O=C(C=Cc1cccc(c1)Cl)CC2CO2 1458a_100000184502_100011216344 [0,1,0,1,0,0|1,0,0]=3 12243 B16R2.11914 O=C(C=Cc1cccc(c1)Cl)CC2CS2 1458a_100000184502_100000031435 [0,1,0,1,0,0|1,1,0]=4 12244 B16R2.11914 O=C(C=Cc1cccc(c1)Cl)C[C@@H]2CO2 1458a_100000184502_100000745022 [0,1,0,1,0,0|1,0,0]=3 12245 B16R2.11914 O=C(C=Cc1cccc(c1)Cl)NC2CC2 1626a_100000212008_100000184502 [0,1,0,1,0,0|1,0,0]=3 12246 B16R2.11914 O=C(C=Cc1cccc(c1)Cl)NC2CC2 240690a_100000212008_100000184502 [0,1,0,1,0,0|1,0,0]=3 12247 B16R2.11914 O=C(C=Cc1cccc(c1)F)CC2CC2 1458a_100000718793_100000742324 [0,1,0,1,0,0|2,0,0]=4 12248 B16R2.11914 O=C(C=Cc1cccc(c1)F)CC2CC2 6a_100000210812_200000686933 [0,1,0,1,0,0|2,0,0]=4 12249 B16R2.11914 O=C(C=Cc1cccc(c1)F)CC2CO2 1458a_100000718793_100011216344 [0,1,0,1,0,0|1,0,0]=3 12250 B16R2.11914 O=C(C=Cc1cccc(c1)F)CC2CS2 1458a_100000718793_100000031435 [0,1,0,1,0,0|1,1,0]=4 12251 B16R2.11914 O=C(C=Cc1cccc(c1)F)C[C@@H]2CO2 1458a_100000718793_100000745022 [0,1,0,1,0,0|1,0,0]=3 12252 B16R2.11914 O=C(C=Cc1cccc(c1)F)NC2CC2 1626a_100000212008_100000718793 [0,1,0,1,0,0|1,0,0]=3 12253 B16R2.11914 O=C(C=Cc1cccc(c1)F)NC2CC2 240690a_100000212008_100000718793 [0,1,0,1,0,0|1,0,0]=3 12254 B16R2.11914 O=C(C=Cc1cccc(c1)I)CC2CC2 1458a_100020647043_100000742324 [0,1,0,1,0,0|2,0,0]=4 12255 B16R2.11914 O=C(C=Cc1cccc(c1)I)CC2CC2 6a_100000014684_200000686933 [0,1,0,1,0,0|2,0,0]=4 12256 B16R2.11914 O=C(C=Cc1cccc(c1)I)CC2CO2 1458a_100020647043_100011216344 [0,1,0,1,0,0|1,0,0]=3 12257 B16R2.11914 O=C(C=Cc1cccc(c1)I)CC2CS2 1458a_100020647043_100000031435 [0,1,0,1,0,0|1,1,0]=4 12258 B16R2.11914 O=C(C=Cc1cccc(c1)I)C[C@@H]2CO2 1458a_100020647043_100000745022 [0,1,0,1,0,0|1,0,0]=3 12259 B16R2.11914 O=C(C=Cc1cccc(c1)I)NC2CC2 1626a_100000212008_100020647043 [0,1,0,1,0,0|1,0,0]=3 12260 B16R2.11914 O=C(C=Cc1cccc(c1)I)NC2CC2 240690a_100000212008_100020647043 [0,1,0,1,0,0|1,0,0]=3 12261 B16R2.30336 CCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210303 [0,1,0,1,0,0|2,0,0]=4 12262 B16R2.30336 CCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210303 [0,1,0,1,0,0|2,0,0]=4 12263 B16R2.30336 Cc1ccc2cc(ccc2c1)OCCO 34a_100000074090_100000211926 [0,1,0,1,0,0|2,0,0]=4 12264 B16R2.30336 Cc1ccc2cc(ccc2c1)OCCO 7a_100000074090_100000211926 [0,1,0,1,0,0|2,0,0]=4 12265 B16R2.30336 Cc1ccc2cc(ccc2n1)NCCO 34a_100011216442_100000211926 [0,1,0,1,0,0|2,0,0]=4 12266 B16R2.30336 Cc1ccc2nc(ccc2c1)NCCO 27a_100000210304_100011865911 [0,1,0,1,0,0|1,0,0]=3 12267 B16R2.30336 Cc1ccc2nc(ccc2c1)SCCO 62a_100000211926_100011865911 [0,1,0,1,0,0|2,0,0]=4 12268 B16R2.30336 Cc1ccc2nc(ccc2c1)SCCO 62a_200000181977_100000211926 [0,1,0,1,0,0|2,0,0]=4 12269 B16R2.30336 Cc1ccc2nc(ccc2n1)NCCO 27a_100000210304_200009884078 [0,1,0,1,0,0|2,0,0]=4 12270 B16R2.30336 FCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100011217306 [0,1,0,1,0,0|2,0,0]=4 12271 B16R2.30336 FCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100011217306 [0,1,0,1,0,0|2,0,0]=4 12272 B16R2.30336 Nc1ccc2cc(ccc2c1)SCCO 62a_100000185457_100000211926 [0,1,0,1,0,0|2,0,0]=4 12273 B16R2.30336 Nc1ccc2cc(ccc2c1)SCCO 62a_100000211926_100000185457 [0,1,0,1,0,0|2,0,0]=4 12274 B16R2.30336 Nc1ccc2nc(cnc2c1)NCCO 27a_100000210304_100009885871 [0,1,0,1,0,0|2,0,0]=4 12275 B16R2.30336 O=c1ccc2cc(ccc2o1)NCCO 7a_100000008519_100000211926 [0,1,0,1,0,0|2,0,0]=4 12276 B16R2.30336 OCCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000211926 [0,1,0,1,0,0|1,0,0]=3 12277 B16R2.30336 OCCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000211926 [0,1,0,1,0,0|1,0,0]=3 12278 B16R2.30336 OCCNc1ccc2cc(ccc2n1)F 27a_100000210304_100011998705 [0,1,0,1,0,0|1,0,0]=3 12279 B16R2.30336 OCCNc1ccc2cc(cnc2c1)Br 27a_100000210304_200015509644 [0,1,0,1,0,0|2,0,0]=4 12280 B16R2.30336 OCCNc1ccc2cc(cnc2c1)Br 34a_200010264087_100000211926 [0,1,0,1,0,0|2,0,0]=4 12281 B16R2.30336 OCCNc1cnc2cc(ccc2n1)F 27a_100000210304_100000098432 [0,1,0,1,0,0|2,0,0]=4 12282 B16R2.30336 OCCNc1cnc2cc(ccc2n1)O 27a_100000210304_200010664160 [0,1,0,1,0,0|2,0,0]=4 12283 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000211926 [0,1,0,1,0,0|2,0,0]=4 12284 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000211926 [0,1,0,1,0,0|2,0,0]=4 12285 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000211926 [0,1,0,1,0,0|2,0,0]=4 12286 B16R2.30336 OCCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000211926 [0,1,0,1,0,0|2,0,0]=4 12287 B16R2.30336 OCCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000211926 [0,1,0,1,0,0|2,0,0]=4 12288 B16R2.30336 OCCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000211926 [0,1,0,1,0,0|2,0,0]=4 12289 B16R2.30336 OCCSc1ccc2cc(ccc2c1)Br 62a_100000211926_100012344972 [0,1,0,1,0,0|2,0,0]=4 12290 B16R2.30336 OCCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000211926 [0,1,0,1,0,0|2,0,0]=4 12291 B16R2.30336 OCCSc1ccc2cc(ccc2c1)F 62a_100000211926_100009817052 [0,1,0,1,0,0|2,0,0]=4 12292 B16R2.30336 OCCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000211926 [0,1,0,1,0,0|2,0,0]=4 12293 B16R2.30336 OCCSc1ccc2cc(ccc2c1)O 62a_100000211926_100000185455 [0,1,0,1,0,0|2,0,0]=4 12294 B16R2.30336 OCCSc1ccc2cc(ccc2n1)F 62a_100000211926_100011998705 [0,1,0,1,0,0|2,0,0]=4 12295 B16R2.30336 OCCSc1ccc2cc(ccc2n1)F 62a_200012355665_100000211926 [0,1,0,1,0,0|2,0,0]=4 12296 B16R2.30336 OCCSc1ccc2cc(ccc2n1)O 62a_100000211926_100009849208 [0,1,0,1,0,0|2,0,0]=4 12297 B16R2.136484 Cc1cccc(c1)C=CC(=O)C2CCC2 1458a_100000690095_100000749161 [0,1,0,1,0,0|2,0,0]=4 12298 B16R2.136484 Cc1cccc(c1)C=CC(=O)N2CCC2 11a_100000754969_100000690095 [0,1,0,1,0,0|1,0,0]=3 12299 B16R2.136484 Cc1cccc(c1)C=CC(=O)N2CCC2 240690a_100000754969_100000690095 [0,1,0,1,0,0|1,0,0]=3 12300 B16R2.136484 O=C(C=Cc1cccc(c1)Br)C2CCC2 1458a_100016258244_100000749161 [0,1,0,1,0,0|2,0,0]=4 12301 B16R2.136484 O=C(C=Cc1cccc(c1)Br)N2CCC2 11a_100000754969_100016258244 [0,1,0,1,0,0|1,0,0]=3 12302 B16R2.136484 O=C(C=Cc1cccc(c1)Br)N2CCC2 240690a_100000754969_100016258244 [0,1,0,1,0,0|1,0,0]=3 12303 B16R2.136484 O=C(C=Cc1cccc(c1)Cl)C2CCC2 1458a_100000184502_100000749161 [0,1,0,1,0,0|2,0,0]=4 12304 B16R2.136484 O=C(C=Cc1cccc(c1)Cl)N2CCC2 11a_100000754969_100000184502 [0,1,0,1,0,0|1,0,0]=3 12305 B16R2.136484 O=C(C=Cc1cccc(c1)Cl)N2CCC2 240690a_100000754969_100000184502 [0,1,0,1,0,0|1,0,0]=3 12306 B16R2.136484 O=C(C=Cc1cccc(c1)F)C2CCC2 1458a_100000718793_100000749161 [0,1,0,1,0,0|2,0,0]=4 12307 B16R2.136484 O=C(C=Cc1cccc(c1)F)N2CCC2 11a_100000754969_100000718793 [0,1,0,1,0,0|1,0,0]=3 12308 B16R2.136484 O=C(C=Cc1cccc(c1)F)N2CCC2 240690a_100000754969_100000718793 [0,1,0,1,0,0|1,0,0]=3 12309 B16R2.136484 O=C(C=Cc1cccc(c1)I)C2CCC2 1458a_100020647043_100000749161 [0,1,0,1,0,0|2,0,0]=4 12310 B16R2.136484 O=C(C=Cc1cccc(c1)I)N2CCC2 11a_100000754969_100020647043 [0,1,0,1,0,0|1,0,0]=3 12311 B16R2.136484 O=C(C=Cc1cccc(c1)I)N2CCC2 240690a_100000754969_100020647043 [0,1,0,1,0,0|1,0,0]=3 12312 B16R2.1285 CCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210303 [0,1,0,1,0,0|2,0,0]=4 12313 B16R2.1285 CCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210303 [0,1,0,1,0,0|2,0,0]=4 12314 B16R2.1285 CCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000210303 [0,1,0,1,0,0|2,0,0]=4 12315 B16R2.1285 CCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210303 [0,1,0,1,0,0|2,0,0]=4 12316 B16R2.1285 Cc1ccc2ccc(cc2c1)OCCO 34a_100000091598_100000211926 [0,1,0,1,0,0|2,0,0]=4 12317 B16R2.1285 Cc1ccc2ccc(cc2c1)OCCO 7a_100000091598_100000211926 [0,1,0,1,0,0|2,0,0]=4 12318 B16R2.1285 FCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100011217306 [0,1,0,1,0,0|2,0,0]=4 12319 B16R2.1285 FCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100011217306 [0,1,0,1,0,0|2,0,0]=4 12320 B16R2.1285 Nc1ccc2ccc(cc2c1)OCCO 34a_100015378740_100000211926 [0,1,0,1,0,0|2,0,0]=4 12321 B16R2.1285 Nc1ccc2ccc(cc2c1)OCCO 7a_100015378740_100000211926 [0,1,0,1,0,0|2,0,0]=4 12322 B16R2.1285 Nc1ccc2ccc(cc2c1)SCCO 62a_100000211926_100010090036 [0,1,0,1,0,0|2,0,0]=4 12323 B16R2.1285 Nc1ccc2ccc(cc2c1)SCCO 62a_100010090036_100000211926 [0,1,0,1,0,0|2,0,0]=4 12324 B16R2.1285 OCCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000211926 [0,1,0,1,0,0|1,0,0]=3 12325 B16R2.1285 OCCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000211926 [0,1,0,1,0,0|1,0,0]=3 12326 B16R2.1285 OCCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000211926 [0,1,0,1,0,0|1,0,0]=3 12327 B16R2.1285 OCCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000211926 [0,1,0,1,0,0|1,0,0]=3 12328 B16R2.1285 OCCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000211926 [0,1,0,1,0,0|2,0,0]=4 12329 B16R2.1285 OCCNc1ccc2ncc(cc2n1)F 27a_100000210304_100009889179 [0,1,0,1,0,0|2,0,0]=4 12330 B16R2.1285 OCCNc1cnc2ccc(cc2n1)O 27a_100000210304_200020640061 [0,1,0,1,0,0|2,0,0]=4 12331 B16R2.1285 OCCNc1ncc2ccc(cc2n1)F 27a_100000210304_100000104070 [0,1,0,1,0,0|2,0,0]=4 12332 B16R2.1285 OCCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000211926 [0,1,0,1,0,0|2,0,0]=4 12333 B16R2.1285 OCCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000211926 [0,1,0,1,0,0|2,0,0]=4 12334 B16R2.1285 OCCSc1ccc2ccc(cc2c1)O 62a_100000211926_100009816537 [0,1,0,1,0,0|2,0,0]=4 12335 B16R2.1285 OCCSc1ccc2ccc(cc2n1)O 62a_100000211926_100000079174 [0,1,0,1,0,0|2,0,0]=4 12336 B16R2.1285 Oc1ccc2ccc(cc2c1)NCCF 34a_100015378740_100011217306 [0,1,0,1,0,0|2,0,0]=4 12337 B16R2.1285 Oc1ccc2ccc(cc2c1)NCCF 7a_100015378740_100011217306 [0,1,0,1,0,0|2,0,0]=4 12338 B16R2.11574 Cc1ccc(cc1)C=CC(=O)CC2CC2 1458a_100000716854_100000742324 [0,1,0,1,0,0|2,0,0]=4 12339 B16R2.11574 Cc1ccc(cc1)C=CC(=O)CC2CO2 1458a_100000716854_100011216344 [0,1,0,1,0,0|1,0,0]=3 12340 B16R2.11574 Cc1ccc(cc1)C=CC(=O)CC2CS2 1458a_100000716854_100000031435 [0,1,0,1,0,0|1,1,0]=4 12341 B16R2.11574 Cc1ccc(cc1)C=CC(=O)C[C@@H]2CO2 1458a_100000716854_100000745022 [0,1,0,1,0,0|1,0,0]=3 12342 B16R2.11574 Cc1ccc(cc1)C=CC(=O)NC2CC2 1626a_100000212008_100000716854 [0,1,0,1,0,0|1,0,0]=3 12343 B16R2.11574 Cc1ccc(cc1)C=CC(=O)NC2CC2 240690a_100000212008_100000716854 [0,1,0,1,0,0|1,0,0]=3 12344 B16R2.11574 O=C(C=Cc1ccc(cc1)Br)CC2CC2 1458a_100016267368_100000742324 [0,1,0,1,0,0|2,0,0]=4 12345 B16R2.11574 O=C(C=Cc1ccc(cc1)Br)CC2CC2 6a_100000186029_200000686933 [0,1,0,1,0,0|2,0,0]=4 12346 B16R2.11574 O=C(C=Cc1ccc(cc1)Br)CC2CO2 1458a_100016267368_100011216344 [0,1,0,1,0,0|1,0,0]=3 12347 B16R2.11574 O=C(C=Cc1ccc(cc1)Br)CC2CS2 1458a_100016267368_100000031435 [0,1,0,1,0,0|1,1,0]=4 12348 B16R2.11574 O=C(C=Cc1ccc(cc1)Br)C[C@@H]2CO2 1458a_100016267368_100000745022 [0,1,0,1,0,0|1,0,0]=3 12349 B16R2.11574 O=C(C=Cc1ccc(cc1)Br)NC2CC2 1626a_100000212008_100016267368 [0,1,0,1,0,0|1,0,0]=3 12350 B16R2.11574 O=C(C=Cc1ccc(cc1)Cl)CC2CC2 1458a_100000184863_100000742324 [0,1,0,1,0,0|2,0,0]=4 12351 B16R2.11574 O=C(C=Cc1ccc(cc1)Cl)CC2CO2 1458a_100000184863_100011216344 [0,1,0,1,0,0|1,0,0]=3 12352 B16R2.11574 O=C(C=Cc1ccc(cc1)Cl)CC2CS2 1458a_100000184863_100000031435 [0,1,0,1,0,0|1,1,0]=4 12353 B16R2.11574 O=C(C=Cc1ccc(cc1)Cl)C[C@@H]2CO2 1458a_100000184863_100000745022 [0,1,0,1,0,0|1,0,0]=3 12354 B16R2.11574 O=C(C=Cc1ccc(cc1)Cl)NC2CC2 1626a_100000212008_100000184863 [0,1,0,1,0,0|1,0,0]=3 12355 B16R2.11574 O=C(C=Cc1ccc(cc1)Cl)NC2CC2 240690a_100000212008_100000184863 [0,1,0,1,0,0|1,0,0]=3 12356 B16R2.11574 O=C(C=Cc1ccc(cc1)F)CC2CC2 1458a_100000182136_100000742324 [0,1,0,1,0,0|2,0,0]=4 12357 B16R2.11574 O=C(C=Cc1ccc(cc1)F)CC2CC2 6a_100000210084_200000686933 [0,1,0,1,0,0|2,0,0]=4 12358 B16R2.11574 O=C(C=Cc1ccc(cc1)F)CC2CO2 1458a_100000182136_100011216344 [0,1,0,1,0,0|1,0,0]=3 12359 B16R2.11574 O=C(C=Cc1ccc(cc1)F)CC2CS2 1458a_100000182136_100000031435 [0,1,0,1,0,0|1,1,0]=4 12360 B16R2.11574 O=C(C=Cc1ccc(cc1)F)C[C@@H]2CO2 1458a_100000182136_100000745022 [0,1,0,1,0,0|1,0,0]=3 12361 B16R2.11574 O=C(C=Cc1ccc(cc1)F)NC2CC2 1626a_100000212008_100000182136 [0,1,0,1,0,0|1,0,0]=3 12362 B16R2.11574 O=C(C=Cc1ccc(cc1)F)NC2CC2 240690a_100000212008_100000182136 [0,1,0,1,0,0|1,0,0]=3 12363 B16R2.11574 O=C(C=Cc1ccc(cc1)I)CC2CC2 1458a_100102526154_100000742324 [0,1,0,1,0,0|2,0,0]=4 12364 B16R2.11574 O=C(C=Cc1ccc(cc1)I)CC2CC2 6a_100000188517_200000686933 [0,1,0,1,0,0|2,0,0]=4 12365 B16R2.11574 O=C(C=Cc1ccc(cc1)I)CC2CO2 1458a_100102526154_100011216344 [0,1,0,1,0,0|1,0,0]=3 12366 B16R2.11574 O=C(C=Cc1ccc(cc1)I)CC2CS2 1458a_100102526154_100000031435 [0,1,0,1,0,0|1,1,0]=4 12367 B16R2.11574 O=C(C=Cc1ccc(cc1)I)C[C@@H]2CO2 1458a_100102526154_100000745022 [0,1,0,1,0,0|1,0,0]=3 12368 B16R2.11574 O=C(C=Cc1ccc(cc1)I)NC2CC2 1626a_100000212008_100102526154 [0,1,0,1,0,0|1,0,0]=3 12369 B16R2.11574 O=C(C=Cc1ccc(cc1)I)NC2CC2 240690a_100000212008_100102526154 [0,1,0,1,0,0|1,0,0]=3 12370 B16R2.11574 O=C(C=Cc1ccc(cc1)O)NC2CC2 240690a_100000212008_100016269017 [0,1,0,1,0,0|1,0,0]=3 12371 B16R2.11574 O=C(C=Cc1ccc(cn1)F)CC2CO2 1458a_100020630499_100011216344 [0,1,0,1,0,0|2,0,0]=4 12372 B16R2.11574 O=C(C=Cc1ccc(cn1)F)C[C@@H]2CO2 1458a_100020630499_100000745022 [0,1,0,1,0,0|2,0,0]=4 12373 B16R2.11574 O=C(C=Cc1ccc(cn1)F)NC2CC2 1626a_100000212008_100020630499 [0,1,0,1,0,0|2,0,0]=4 12374 B16R2.11574 O=C(C=Cc1ccc(cn1)F)NC2CC2 240690a_100000212008_100020630499 [0,1,0,1,0,0|2,0,0]=4 12375 B16R2.11574 O=C(C=Cc1ccc(nc1)Br)CC2CO2 1458a_100020588214_100011216344 [0,1,0,1,0,0|2,0,0]=4 12376 B16R2.11574 O=C(C=Cc1ccc(nc1)Br)C[C@@H]2CO2 1458a_100020588214_100000745022 [0,1,0,1,0,0|2,0,0]=4 12377 B16R2.11574 O=C(C=Cc1ccc(nc1)Br)NC2CC2 1626a_100000212008_100020588214 [0,1,0,1,0,0|2,0,0]=4 12378 B16R2.11574 O=C(C=Cc1ccc(nc1)Br)NC2CC2 240690a_100000212008_100020588214 [0,1,0,1,0,0|2,0,0]=4 12379 B16R2.33240 Cc1ccc(cc1)C=CC(=O)C2CCC2 1458a_100000716854_100000749161 [0,1,0,1,0,0|2,0,0]=4 12380 B16R2.33240 Cc1ccc(cc1)C=CC(=O)N2CCC2 11a_100000754969_100000716854 [0,1,0,1,0,0|1,0,0]=3 12381 B16R2.33240 Cc1ccc(cc1)C=CC(=O)N2CCC2 240690a_100000754969_100000716854 [0,1,0,1,0,0|1,0,0]=3 12382 B16R2.33240 O=C(C=Cc1ccc(cc1)Br)C2CCC2 1458a_100016267368_100000749161 [0,1,0,1,0,0|2,0,0]=4 12383 B16R2.33240 O=C(C=Cc1ccc(cc1)Br)N2CCC2 11a_100000754969_100016267368 [0,1,0,1,0,0|1,0,0]=3 12384 B16R2.33240 O=C(C=Cc1ccc(cc1)Cl)C2CCC2 1458a_100000184863_100000749161 [0,1,0,1,0,0|2,0,0]=4 12385 B16R2.33240 O=C(C=Cc1ccc(cc1)Cl)N2CCC2 11a_100000754969_100000184863 [0,1,0,1,0,0|1,0,0]=3 12386 B16R2.33240 O=C(C=Cc1ccc(cc1)Cl)N2CCC2 240690a_100000754969_100000184863 [0,1,0,1,0,0|1,0,0]=3 12387 B16R2.33240 O=C(C=Cc1ccc(cc1)F)C2CCC2 1458a_100000182136_100000749161 [0,1,0,1,0,0|2,0,0]=4 12388 B16R2.33240 O=C(C=Cc1ccc(cc1)F)N2CCC2 11a_100000754969_100000182136 [0,1,0,1,0,0|1,0,0]=3 12389 B16R2.33240 O=C(C=Cc1ccc(cc1)F)N2CCC2 240690a_100000754969_100000182136 [0,1,0,1,0,0|1,0,0]=3 12390 B16R2.33240 O=C(C=Cc1ccc(cc1)I)C2CCC2 1458a_100102526154_100000749161 [0,1,0,1,0,0|2,0,0]=4 12391 B16R2.33240 O=C(C=Cc1ccc(cc1)I)N2CCC2 11a_100000754969_100102526154 [0,1,0,1,0,0|1,0,0]=3 12392 B16R2.33240 O=C(C=Cc1ccc(cc1)I)N2CCC2 240690a_100000754969_100102526154 [0,1,0,1,0,0|1,0,0]=3 12393 B16R2.33240 O=C(C=Cc1ccc(cc1)O)N2CCC2 240690a_100000754969_100016269017 [0,1,0,1,0,0|1,0,0]=3 12394 B16R2.33240 O=C(C=Cc1ccc(cn1)F)N2CCC2 11a_100000754969_100020630499 [0,1,0,1,0,0|2,0,0]=4 12395 B16R2.33240 O=C(C=Cc1ccc(cn1)F)N2CCC2 240690a_100000754969_100020630499 [0,1,0,1,0,0|2,0,0]=4 12396 B16R2.33240 O=C(C=Cc1ccc(nc1)Br)N2CCC2 11a_100000754969_100020588214 [0,1,0,1,0,0|2,0,0]=4 12397 B16R2.33240 O=C(C=Cc1ccc(nc1)Br)N2CCC2 240690a_100000754969_100020588214 [0,1,0,1,0,0|2,0,0]=4 12398 B16R2.1056 CCCNc1cc2ccccc2cc1Br 34a_100009991566_100000210303 [0,1,0,1,0,0|2,0,0]=4 12399 B16R2.1056 CCCNc1cc2ccccc2cc1Br 7a_100009991566_100000210303 [0,1,0,1,0,0|2,0,0]=4 12400 B16R2.1056 Cc1cc2ccccc2cc1OCCO 34a_100000091601_100000211926 [0,1,0,1,0,0|2,0,0]=4 12401 B16R2.1056 Cc1cc2ccccc2cc1OCCO 7a_100000091601_100000211926 [0,1,0,1,0,0|2,0,0]=4 12402 B16R2.1056 Cc1cc2ccccc2nc1NCCO 27a_100000210304_100000751756 [0,1,0,1,0,0|1,0,0]=3 12403 B16R2.1056 Cc1cc2ccccc2nc1SCCO 62a_100000211926_100000751756 [0,1,0,1,0,0|2,0,0]=4 12404 B16R2.1056 Cc1cc2cccnc2nc1NCCO 27a_100000210304_100009877248 [0,1,0,1,0,0|2,0,0]=4 12405 B16R2.1056 Cc1nc2ccccc2nc1NCCO 27a_100000210304_100000185947 [0,1,0,1,0,0|2,0,0]=4 12406 B16R2.1056 FCCNc1cc2ccccc2cc1Br 34a_100009991566_100011217306 [0,1,0,1,0,0|2,0,0]=4 12407 B16R2.1056 FCCNc1cc2ccccc2cc1Br 7a_100009991566_100011217306 [0,1,0,1,0,0|2,0,0]=4 12408 B16R2.1056 Nc1cc2ccccc2cc1OCCO 34a_106744474703_100000211926 [0,1,0,1,0,0|2,0,0]=4 12409 B16R2.1056 Nc1cc2ccccc2cc1OCCO 7a_106744474703_100000211926 [0,1,0,1,0,0|2,0,0]=4 12410 B16R2.1056 Nc1cc2ccccc2cc1SCCO 62a_100000211926_100009991566 [0,1,0,1,0,0|2,0,0]=4 12411 B16R2.1056 Nc1cc2ccccc2cc1SCCO 62a_100009991566_100000211926 [0,1,0,1,0,0|2,0,0]=4 12412 B16R2.1056 Nc1nc2ccccc2nc1NCCO 27a_100000210304_100000009970 [0,1,0,1,0,0|2,0,0]=4 12413 B16R2.1056 OCCNc1cc2ccccc2cc1Br 34a_100009991566_100000211926 [0,1,0,1,0,0|1,0,0]=3 12414 B16R2.1056 OCCNc1cc2ccccc2cc1Br 7a_100009991566_100000211926 [0,1,0,1,0,0|1,0,0]=3 12415 B16R2.1056 OCCOc1cc2ccccc2cc1Br 34a_100009817189_100000211926 [0,1,0,1,0,0|2,0,0]=4 12416 B16R2.1056 OCCOc1cc2ccccc2cc1Br 7a_100009817189_100000211926 [0,1,0,1,0,0|2,0,0]=4 12417 B16R2.1056 OCCSc1cc2ccccc2cc1Br 62a_100000211926_200010169544 [0,1,0,1,0,0|2,0,0]=4 12418 B16R2.1056 OCCSc1cc2ccccc2cc1Br 62a_200010169544_100000211926 [0,1,0,1,0,0|2,0,0]=4 12419 B16R2.1056 OCCSc1cc2ccccc2cc1Cl 62a_100000211926_100010152806 [0,1,0,1,0,0|2,0,0]=4 12420 B16R2.1056 OCCSc1cc2ccccc2cc1Cl 62a_100010152806_100000211926 [0,1,0,1,0,0|2,0,0]=4 12421 B16R2.1056 OCCSc1cc2ccccc2cc1O 62a_100000211926_100009817189 [0,1,0,1,0,0|2,0,0]=4 12422 B16R2.1056 OCCSc1nc2ccccc2cc1Br 62a_100000211926_100010072790 [0,1,0,1,0,0|2,0,0]=4 12423 B16R2.1056 OCCSc1nc2ccccc2cc1Br 62a_100010072790_100000211926 [0,1,0,1,0,0|2,0,0]=4 12424 B16R2.1056 OCCSc1nc2ccccc2cc1O 62a_100000211926_200000100762 [0,1,0,1,0,0|2,0,0]=4 12425 B16R2.2128 C#CCNC(=O)C1=Cc2ccccc2C1 11a_100000212058_100009862756 [0,1,0,1,0,0|1,0,1]=4 12426 B16R2.2128 C#CCNC(=O)C1=Cc2ccccc2C1 1626a_100000212058_100009862756 [0,1,0,1,0,0|1,0,1]=4 12427 B16R2.2128 C#CCNC(=O)C1=Cc2ccccc2C1 240690a_100000212058_100009862756 [0,1,0,1,0,0|1,0,1]=4 12428 B16R2.2128 C=CCNC(=O)C1=Cc2ccccc2C1 1626a_100020586998_100009862756 [0,1,0,1,0,0|1,0,1]=4 12429 B16R2.2128 C=CCNC(=O)C1=Cc2ccccc2C1 240690a_100020586998_100009862756 [0,1,0,1,0,0|1,0,1]=4 12430 B16R2.2128 CC(NCCO)c1cc2ccccc2[nH]1 269862a_100000210304_100000696822 [0,1,0,1,0,0|1,0,1]=4 12431 B16R2.2128 CC(NCCO)c1cc2ccccc2o1 269862a_100000210304_100000185295 [0,1,0,1,0,0|1,0,1]=4 12432 B16R2.2128 CC(NCCO)c1cc2ccccc2s1 269862a_100000210304_100011216072 [0,1,0,1,0,0|1,0,1]=4 12433 B16R2.2128 CCCCC(=O)C1=Cc2ccccc2C1 1458a_100009862756_100000210211 [0,1,0,1,0,0|2,0,0]=4 12434 B16R2.2128 CCCNC(=O)C1=Cc2ccccc2C1 11a_100020643023_100009862756 [0,1,0,1,0,0|1,0,0]=3 12435 B16R2.2128 CCCNC(=O)C1=Cc2ccccc2C1 1626a_100020643023_100009862756 [0,1,0,1,0,0|1,0,0]=3 12436 B16R2.2128 CCCNC(=O)C1=Cc2ccccc2C1 240690a_100020643023_100009862756 [0,1,0,1,0,0|1,0,0]=3 12437 B16R2.2128 CCNNC(=O)C1=Cc2ccccc2C1 22a_100000756455_100009862756 [0,1,0,1,0,0|2,0,0]=4 12438 B16R2.2128 N#CCNC(=O)C1=Cc2ccccc2C1 1626a_100000734998_100009862756 [0,1,0,1,0,0|1,0,1]=4 12439 B16R2.2128 O=C(CCCF)C1=Cc2ccccc2C1 1458a_100009862756_100011934791 [0,1,0,1,0,0|2,0,0]=4 12440 B16R2.2128 O=C(CCCO)C1=Cc2ccccc2C1 1458a_100009862756_100011215043 [0,1,0,1,0,0|1,0,0]=3 12441 B16R2.2128 O=C(NCCF)C1=Cc2ccccc2C1 11a_100000724931_100009862756 [0,1,0,1,0,0|1,0,0]=3 12442 B16R2.2128 O=C(NCCF)C1=Cc2ccccc2C1 1626a_100000724931_100009862756 [0,1,0,1,0,0|1,0,0]=3 12443 B16R2.2128 O=C(NCCF)C1=Cc2ccccc2C1 240690a_100000724931_100009862756 [0,1,0,1,0,0|1,0,0]=3 12444 B16R2.2128 O=C(NCCO)C1=Cc2ccccc2C1 240690a_100000210304_100009862756 [0,1,0,1,0,0|0,0,0]=2 12445 B16R2.2128 O=C(NCCO)C1Cc2ccccc2C1 240690a_100000210304_100000685393 [0,1,0,1,0,0|0,0,2]=4 12446 B16R2.2128 O=C(NCCO)C1Cc2ccccc2C1 527a_100000210304_100000685393 [0,1,0,1,0,0|0,0,2]=4 12447 B16R2.2128 O=C(NCCO)C1Cc2ccccc2O1 240690a_100000210304_100000209886 [0,1,0,1,0,0|0,0,2]=4 12448 B16R2.2128 O=C(NCCO)C1Cc2ccccc2O1 527a_100000210304_100000209886 [0,1,0,1,0,0|0,0,2]=4 12449 B16R2.2128 O=C(NCCO)C1Cc2ccccc2S1 240690a_100000210304_100000024912 [0,1,0,1,0,0|0,0,2]=4 12450 B16R2.2128 O=C(NCCO)C1Cc2ccccc2S1 527a_100000210304_100000024912 [0,1,0,1,0,0|0,0,2]=4 12451 B16R2.2128 O=C(NCCO)N1Cc2ccccc2C1 273464a_100000210304_100000752595 [0,1,0,1,0,0|1,0,1]=4 12452 B16R2.27766 C/C(=C\c1ccccc1)/C(=O)CC2CC2 1458a_100016990649_100000742324 [0,1,0,1,0,0|2,0,0]=4 12453 B16R2.27766 C/C(=C\c1ccccc1)/C(=O)CC2CO2 1458a_100016990649_100011216344 [0,1,0,1,0,0|1,0,0]=3 12454 B16R2.27766 C/C(=C\c1ccccc1)/C(=O)CC2CS2 1458a_100016990649_100000031435 [0,1,0,1,0,0|1,1,0]=4 12455 B16R2.27766 C/C(=C\c1ccccc1)/C(=O)C[C@@H]2CO2 1458a_100016990649_100000745022 [0,1,0,1,0,0|1,0,0]=3 12456 B16R2.27766 C/C(=C\c1ccccc1)/C(=O)NC2CC2 1626a_100000212008_100016990649 [0,1,0,1,0,0|1,0,0]=3 12457 B16R2.27766 C/C(=C\c1ccccc1)/C(=O)NC2CC2 527a_100000212008_100016990649 [0,1,0,1,0,0|1,0,0]=3 12458 B16R2.27766 C/C(=C\c1ccccn1)/C(=O)CC2CO2 1458a_100025712827_100011216344 [0,1,0,1,0,0|2,0,0]=4 12459 B16R2.27766 C/C(=C\c1ccccn1)/C(=O)C[C@@H]2CO2 1458a_100025712827_100000745022 [0,1,0,1,0,0|2,0,0]=4 12460 B16R2.27766 C/C(=C\c1ccccn1)/C(=O)NC2CC2 1626a_100000212008_100025712827 [0,1,0,1,0,0|2,0,0]=4 12461 B16R2.27766 C/C(=C\c1ccccn1)/C(=O)NC2CC2 527a_100000212008_100025712827 [0,1,0,1,0,0|2,0,0]=4 12462 B16R2.27766 C=C(Cc1ccccc1)C(=O)NC2CC2 1626a_100000212008_100000066491 [0,1,0,1,0,0|1,0,1]=4 12463 B16R2.27766 O=C(CC1CC1)/C(=C/c2ccccc2)/Cl 1458a_200020598536_100000742324 [0,1,0,1,0,0|2,0,0]=4 12464 B16R2.27766 O=C(CC1CC1)/C(=C\c2ccccc2)/F 1458a_100020889036_100000742324 [0,1,0,1,0,0|2,0,0]=4 12465 B16R2.27766 O=C(CC1CO1)/C(=C/c2ccccc2)/Cl 1458a_200020598536_100011216344 [0,1,0,1,0,0|1,0,0]=3 12466 B16R2.27766 O=C(CC1CO1)/C(=C\c2ccccc2)/F 1458a_100020889036_100011216344 [0,1,0,1,0,0|1,0,0]=3 12467 B16R2.27766 O=C(CC1CO1)C(=Cc2cccnc2)F 1458a_100000731744_100011216344 [0,1,0,1,0,0|2,0,0]=4 12468 B16R2.27766 O=C(CC1CO1)C(=O)Nc2ccccc2 1458a_100000738435_100011216344 [0,1,0,1,0,0|2,0,0]=4 12469 B16R2.27766 O=C(CC1CS1)/C(=C/c2ccccc2)/Cl 1458a_200020598536_100000031435 [0,1,0,1,0,0|1,1,0]=4 12470 B16R2.27766 O=C(CC1CS1)/C(=C\c2ccccc2)/F 1458a_100020889036_100000031435 [0,1,0,1,0,0|1,1,0]=4 12471 B16R2.27766 O=C(C[C@@H]1CO1)/C(=C/c2ccccc2)/Cl 1458a_200020598536_100000745022 [0,1,0,1,0,0|1,0,0]=3 12472 B16R2.27766 O=C(C[C@@H]1CO1)/C(=C\c2ccccc2)/F 1458a_100020889036_100000745022 [0,1,0,1,0,0|1,0,0]=3 12473 B16R2.27766 O=C(C[C@@H]1CO1)C(=Cc2cccnc2)F 1458a_100000731744_100000745022 [0,1,0,1,0,0|2,0,0]=4 12474 B16R2.27766 O=C(C[C@@H]1CO1)C(=O)Nc2ccccc2 1458a_100000738435_100000745022 [0,1,0,1,0,0|2,0,0]=4 12475 B16R2.27766 O=C(Cc1ccccc1)C(=O)NC2CC2 1458a_100000756273_100015291786 [0,1,0,1,0,0|1,0,1]=4 12476 B16R2.27766 O=C(NC1CC1)/C(=C/c2ccccc2)/Cl 1626a_100000212008_200020598536 [0,1,0,1,0,0|1,0,0]=3 12477 B16R2.27766 O=C(NC1CC1)/C(=C/c2ccccc2)/Cl 240690a_100000212008_200020598536 [0,1,0,1,0,0|1,0,0]=3 12478 B16R2.27766 O=C(NC1CC1)/C(=C/c2ccccc2)/Cl 527a_100000212008_200020598536 [0,1,0,1,0,0|1,0,0]=3 12479 B16R2.27766 O=C(NC1CC1)/C(=C\c2ccccc2)/F 527a_100000212008_100020889036 [0,1,0,1,0,0|1,0,0]=3 12480 B16R2.27766 O=C(NC1CC1)C(=Cc2cccnc2)F 240690a_100000212008_100000731744 [0,1,0,1,0,0|2,0,0]=4 12481 B16R2.27766 O=C(NC1CC1)C(=Cc2cccnc2)F 527a_100000212008_100000731744 [0,1,0,1,0,0|2,0,0]=4 12482 B16R2.27766 O=C(Nc1ccccc1)C(=O)NC2CC2 1626a_100000106764_100000756273 [0,1,0,1,0,0|2,0,0]=4 12483 B16R2.27766 O=C(Nc1ccccc1)C(=O)NC2CC2 22a_100000106764_100000756273 [0,1,0,1,0,0|2,0,0]=4 12484 B16R2.27766 O=C(Nc1ccccc1)C(=O)NC2CC2 240690a_100000212008_100000738435 [0,1,0,1,0,0|2,0,0]=4 12485 B16R2.147215 C/C(=C\c1ccccc1)/C(=O)C2CCC2 1458a_100016990649_100000749161 [0,1,0,1,0,0|2,0,0]=4 12486 B16R2.147215 C/C(=C\c1ccccc1)/C(=O)N2CCC2 11a_100000754969_100016990649 [0,1,0,1,0,0|1,0,0]=3 12487 B16R2.147215 C/C(=C\c1ccccc1)/C(=O)N2CCC2 527a_100000754969_100016990649 [0,1,0,1,0,0|1,0,0]=3 12488 B16R2.147215 C/C(=C\c1ccccn1)/C(=O)N2CCC2 11a_100000754969_100025712827 [0,1,0,1,0,0|2,0,0]=4 12489 B16R2.147215 C/C(=C\c1ccccn1)/C(=O)N2CCC2 527a_100000754969_100025712827 [0,1,0,1,0,0|2,0,0]=4 12490 B16R2.147215 C=C(Cc1ccccc1)C(=O)N2CCC2 11a_100000754969_100000066491 [0,1,0,1,0,0|1,0,1]=4 12491 B16R2.147215 O=C(/C(=C/c1ccccc1)/Cl)C2CCC2 1458a_200020598536_100000749161 [0,1,0,1,0,0|2,0,0]=4 12492 B16R2.147215 O=C(/C(=C/c1ccccc1)/Cl)N2CCC2 11a_100000754969_200020598536 [0,1,0,1,0,0|1,0,0]=3 12493 B16R2.147215 O=C(/C(=C/c1ccccc1)/Cl)N2CCC2 240690a_100000754969_200020598536 [0,1,0,1,0,0|1,0,0]=3 12494 B16R2.147215 O=C(/C(=C/c1ccccc1)/Cl)N2CCC2 527a_100000754969_200020598536 [0,1,0,1,0,0|1,0,0]=3 12495 B16R2.147215 O=C(/C(=C\c1ccccc1)/F)C2CCC2 1458a_100020889036_100000749161 [0,1,0,1,0,0|2,0,0]=4 12496 B16R2.147215 O=C(/C(=C\c1ccccc1)/F)N2CCC2 11a_100000754969_100020889036 [0,1,0,1,0,0|1,0,0]=3 12497 B16R2.147215 O=C(/C(=C\c1ccccc1)/F)N2CCC2 527a_100000754969_100020889036 [0,1,0,1,0,0|1,0,0]=3 12498 B16R2.147215 O=C(C(=Cc1cccnc1)F)N2CCC2 11a_100000754969_100000731744 [0,1,0,1,0,0|2,0,0]=4 12499 B16R2.147215 O=C(C(=Cc1cccnc1)F)N2CCC2 240690a_100000754969_100000731744 [0,1,0,1,0,0|2,0,0]=4 12500 B16R2.147215 O=C(C(=Cc1cccnc1)F)N2CCC2 527a_100000754969_100000731744 [0,1,0,1,0,0|2,0,0]=4 12501 B16R2.147215 O=C(Nc1ccccc1)C(=O)N2CCC2 240690a_100000754969_100000738435 [0,1,0,1,0,0|2,0,0]=4 12502 B16R2.5347 CC(CO)Nc1ccc2ccccc2c1 34a_100000211940_100012180447 [0,1,0,1,0,0|1,0,0]=3 12503 B16R2.5347 CC(CO)Nc1ccc2ccccc2c1 7a_100000211940_100012180447 [0,1,0,1,0,0|1,0,0]=3 12504 B16R2.5347 CC(CO)Nc1ccc2cccnc2c1 34a_100102887122_100012180447 [0,1,0,1,0,0|2,0,0]=4 12505 B16R2.5347 CC(CO)Nc1ccc2cnccc2c1 34a_100000039641_100012180447 [0,1,0,1,0,0|2,0,0]=4 12506 B16R2.5347 CC(CO)Nc1ccc2ncccc2c1 34a_100011198106_100012180447 [0,1,0,1,0,0|2,0,0]=4 12507 B16R2.5347 CC(CO)Oc1ccc2ccccc2c1 34a_100000185828_100012180447 [0,1,0,1,0,0|2,0,0]=4 12508 B16R2.5347 CC(CO)Oc1ccc2ccccc2c1 7a_100000185828_100012180447 [0,1,0,1,0,0|2,0,0]=4 12509 B16R2.5347 CC(CO)Sc1ccc2ccccc2c1 62a_100012180447_100000233703 [0,1,0,1,0,0|2,0,0]=4 12510 B16R2.5347 CC(CO)Sc1ccc2ccccc2n1 62a_100012180447_100011291633 [0,1,0,1,0,0|2,0,0]=4 12511 B16R2.5347 CCC(C)Nc1ccc2ccccc2c1 34a_100000211940_100011215416 [0,1,0,1,0,0|2,0,0]=4 12512 B16R2.5347 CCC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000758301 [0,1,0,1,0,0|2,0,0]=4 12513 B16R2.5347 C[C@H](CF)Nc1ccc2ccccc2n1 27a_100102880703_100011291633 [0,1,0,1,0,0|2,0,0]=4 12514 B16R2.5347 C[C@H](CO)Nc1ccc2ccccc2n1 27a_100000737577_100011291633 [0,1,0,1,0,0|1,0,0]=3 12515 B16R2.5347 C[C@H](CO)Nc1ccc2cccnc2n1 27a_100000737577_100000075685 [0,1,0,1,0,0|2,0,0]=4 12516 B16R2.5347 C[C@H](CO)Nc1ccc2ccncc2n1 27a_100000737577_100000020162 [0,1,0,1,0,0|2,0,0]=4 12517 B16R2.5347 C[C@H](CO)Nc1ccc2ncccc2n1 27a_100000737577_100000073381 [0,1,0,1,0,0|2,0,0]=4 12518 B16R2.5347 C[C@H](CO)Nc1cnc2ccccc2n1 27a_100000737577_100000756483 [0,1,0,1,0,0|2,0,0]=4 12519 B16R2.5347 C[C@H](CO)Nc1ncc2ccccc2n1 27a_100000737577_100000097389 [0,1,0,1,0,0|2,0,0]=4 12520 B16R2.5347 C[C@H](CO)Sc1ccc2ccccc2c1 62a_100016084084_100000233703 [0,1,0,1,0,0|2,0,0]=4 12521 B16R2.5347 C[C@H](CO)Sc1ccc2ccccc2n1 62a_100011291633_100016084084 [0,1,0,1,0,0|2,0,0]=4 12522 B16R2.5347 C[C@H](CO)Sc1ccc2ccccc2n1 62a_100016084084_100011291633 [0,1,0,1,0,0|2,0,0]=4 12523 B16R2.5347 O=C(CO)Nc1ccc2ccccc2c1 22a_100000211940_100000210174 [0,1,0,1,0,0|1,0,1]=4 12524 B16R2.5347 O=C(CO)Nc1ccc2ccccc2c1 527a_100000211940_100000210174 [0,1,0,1,0,0|1,0,1]=4 12525 B16R2.5766 CC1(CC1)NC(=O)C=Cc2ccccc2 11a_100000757604_100000210462 [0,1,0,1,0,0|1,0,0]=3 12526 B16R2.5766 CC1(CC1)NC(=O)C=Cc2ccccc2 1626a_100000757604_100000210462 [0,1,0,1,0,0|1,0,0]=3 12527 B16R2.5766 CC1(CC1)NC(=O)C=Cc2ccccn2 11a_100000757604_100000740811 [0,1,0,1,0,0|2,0,0]=4 12528 B16R2.5766 CC1(CC1)NC(=O)C=Cc2ccccn2 240690a_100000757604_100000740811 [0,1,0,1,0,0|2,0,0]=4 12529 B16R2.5766 CC1(CC1)NC(=O)C=Cc2cccnc2 11a_100000757604_100000735890 [0,1,0,1,0,0|2,0,0]=4 12530 B16R2.5766 CC1(CC1)NC(=O)C=Cc2cccnc2 240690a_100000757604_100000735890 [0,1,0,1,0,0|2,0,0]=4 12531 B16R2.5766 CC1(CC1)NC(=O)C=Cc2ccncc2 240690a_100000757604_100000682801 [0,1,0,1,0,0|2,0,0]=4 12532 B16R2.5766 CC1(CO1)CC(=O)C=Cc2ccccc2 1458a_100000210462_100000760498 [0,1,0,1,0,0|1,0,0]=3 12533 B16R2.5766 CC1(CO1)CC(=O)C=Cc2ccccn2 1458a_100000740811_100000760498 [0,1,0,1,0,0|2,0,0]=4 12534 B16R2.5766 CC1(CO1)CC(=O)C=Cc2cccnc2 1458a_100000735890_100000760498 [0,1,0,1,0,0|2,0,0]=4 12535 B16R2.5766 CC1(CO1)CC(=O)C=Cc2ccncc2 1458a_100000682801_100000760498 [0,1,0,1,0,0|2,0,0]=4 12536 B16R2.157339 C[C@H](CO)NC(=O)C1Cc2c1cccc2 240690a_100000737577_200000238571 [0,1,0,1,0,0|0,0,2]=4 12537 B16R2.157339 C[C@H](CO)NC(=O)C1Cc2c1cccc2 527a_100000737577_200000238571 [0,1,0,1,0,0|0,0,2]=4 12538 B16R2.767 CCCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210303 [0,1,0,1,0,0|2,0,0]=4 12539 B16R2.767 CCCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000210303 [0,1,0,1,0,0|2,0,0]=4 12540 B16R2.767 CCCN(C)c1ccc2ccccc2c1 34a_100000181211_100000210303 [0,1,0,1,0,0|2,0,0]=4 12541 B16R2.767 CCCN(C)c1ccc2ccccc2n1 27a_100000747261_100011291633 [0,1,0,1,0,0|2,0,0]=4 12542 B16R2.767 CN(CCF)c1ccc2ccccc2c1 2230a_100000181211_100011217306 [0,1,0,1,0,0|2,0,0]=4 12543 B16R2.767 CN(CCF)c1ccc2ccccc2c1 269982a_100000181211_100011217306 [0,1,0,1,0,0|2,0,0]=4 12544 B16R2.767 CN(CCF)c1ccc2ccccc2c1 34a_100000181211_100011217306 [0,1,0,1,0,0|2,0,0]=4 12545 B16R2.767 CN(CCO)c1ccc2ccccc2c1 2230a_100000181211_100000211926 [0,1,0,1,0,0|1,0,0]=3 12546 B16R2.767 CN(CCO)c1ccc2ccccc2c1 269982a_100000181211_100000211926 [0,1,0,1,0,0|1,0,0]=3 12547 B16R2.767 CN(CCO)c1ccc2ccccc2c1 34a_100000181211_100000211926 [0,1,0,1,0,0|1,0,0]=3 12548 B16R2.767 CN(CCO)c1ccc2ccccc2n1 27a_100000210263_100011291633 [0,1,0,1,0,0|1,0,0]=3 12549 B16R2.767 CN(CCO)c1ccc2cccnc2n1 27a_100000210263_100000075685 [0,1,0,1,0,0|2,0,0]=4 12550 B16R2.767 CN(CCO)c1ccc2ccncc2n1 27a_100000210263_100000020162 [0,1,0,1,0,0|2,0,0]=4 12551 B16R2.767 CN(CCO)c1ccc2ncccc2n1 27a_100000210263_100000073381 [0,1,0,1,0,0|2,0,0]=4 12552 B16R2.767 CN(CCO)c1cnc2ccccc2n1 27a_100000210263_100000756483 [0,1,0,1,0,0|2,0,0]=4 12553 B16R2.767 CN(CCO)c1ncc2ccccc2n1 27a_100000210263_100000097389 [0,1,0,1,0,0|2,0,0]=4 12554 B16R2.767 O=C(CCO)c1ccc2ccccc2c1 1458a_100000210637_100000211926 [0,1,0,1,0,0|2,0,0]=4 12555 B16R2.3322 CC1CN(C1)C(=O)C=Cc2ccccc2 11a_100000702820_100000210462 [0,1,0,1,0,0|1,0,0]=3 12556 B16R2.3322 CC1CN(C1)C(=O)C=Cc2ccccn2 11a_100000702820_100000740811 [0,1,0,1,0,0|2,0,0]=4 12557 B16R2.3322 CC1CN(C1)C(=O)C=Cc2ccccn2 240690a_100000702820_100000740811 [0,1,0,1,0,0|2,0,0]=4 12558 B16R2.3322 CC1CN(C1)C(=O)C=Cc2cccnc2 11a_100000702820_100000735890 [0,1,0,1,0,0|2,0,0]=4 12559 B16R2.3322 CC1CN(C1)C(=O)C=Cc2cccnc2 240690a_100000702820_100000735890 [0,1,0,1,0,0|2,0,0]=4 12560 B16R2.3322 CC1CN(C1)C(=O)C=Cc2ccncc2 240690a_100000702820_100000682801 [0,1,0,1,0,0|2,0,0]=4 12561 B16R2.3322 O=C(C#Cc1ccccc1)N2CC(C2)O 240690a_100000749847_100000736102 [0,1,0,1,0,0|0,0,2]=4 12562 B16R2.3322 O=C(C=Cc1ccccc1)N2CC(C2)F 11a_100000690557_100000210462 [0,1,0,1,0,0|1,0,0]=3 12563 B16R2.3322 O=C(C=Cc1ccccc1)N2CC(C2)O 11a_100000749847_100000210462 [0,1,0,1,0,0|0,0,0]=2 12564 B16R2.3322 O=C(C=Cc1ccccn1)N2CC(C2)F 11a_100000690557_100000740811 [0,1,0,1,0,0|2,0,0]=4 12565 B16R2.3322 O=C(C=Cc1ccccn1)N2CC(C2)F 240690a_100000690557_100000740811 [0,1,0,1,0,0|2,0,0]=4 12566 B16R2.3322 O=C(C=Cc1ccccn1)N2CC(C2)O 11a_100000749847_100000740811 [0,1,0,1,0,0|1,0,0]=3 12567 B16R2.3322 O=C(C=Cc1ccccn1)N2CC(C2)O 240690a_100000749847_100000740811 [0,1,0,1,0,0|1,0,0]=3 12568 B16R2.3322 O=C(C=Cc1cccnc1)N2CC(C2)F 11a_100000690557_100000735890 [0,1,0,1,0,0|2,0,0]=4 12569 B16R2.3322 O=C(C=Cc1cccnc1)N2CC(C2)F 240690a_100000690557_100000735890 [0,1,0,1,0,0|2,0,0]=4 12570 B16R2.3322 O=C(C=Cc1cccnc1)N2CC(C2)O 11a_100000749847_100000735890 [0,1,0,1,0,0|1,0,0]=3 12571 B16R2.3322 O=C(C=Cc1cccnc1)N2CC(C2)O 240690a_100000749847_100000735890 [0,1,0,1,0,0|1,0,0]=3 12572 B16R2.3322 O=C(C=Cc1ccncc1)N2CC(C2)F 240690a_100000690557_100000682801 [0,1,0,1,0,0|2,0,0]=4 12573 B16R2.3322 O=C(C=Cc1ccncc1)N2CC(C2)O 240690a_100000749847_100000682801 [0,1,0,1,0,0|1,0,0]=3 12574 B16R2.3322 O=C(CCc1ccccc1)N2CC(C2)O 11a_100000749847_100000185753 [0,1,0,1,0,0|0,0,2]=4 12575 B16R2.3322 O=C(CCc1ccccc1)N2CC(C2)O 240690a_100000749847_100000185753 [0,1,0,1,0,0|0,0,2]=4 12576 B16R2.3322 O=C(CCc1ccccc1)N2CC(C2)O 527a_100000749847_100000185753 [0,1,0,1,0,0|0,0,2]=4 12577 B16R2.3322 O=C(CNc1ccccc1)N2CC(C2)O 34a_100000106764_100013143841 [0,1,0,1,0,0|1,0,1]=4 12578 B16R2.3322 O=C(COc1ccccc1)N2CC(C2)O 11a_100000749847_100000186222 [0,1,0,1,0,0|1,0,1]=4 12579 B16R2.3322 O=C(COc1ccccc1)N2CC(C2)O 240690a_100000749847_100000186222 [0,1,0,1,0,0|1,0,1]=4 12580 B16R2.3322 O=C(COc1ccccc1)N2CC(C2)O 34a_100000210340_100013143841 [0,1,0,1,0,0|1,0,1]=4 12581 B16R2.3322 O=C(COc1ccccc1)N2CC(C2)O 527a_100000749847_100000186222 [0,1,0,1,0,0|1,0,1]=4 12582 B16R2.3322 O=C(COc1ccccc1)N2CC(C2)O 7a_100000210340_100013143841 [0,1,0,1,0,0|1,0,1]=4 12583 B16R2.3322 O=C(CSc1ccccc1)N2CC(C2)O 11a_100000749847_100000211596 [0,1,0,1,0,0|1,0,1]=4 12584 B16R2.3322 O=C(CSc1ccccc1)N2CC(C2)O 240690a_100000749847_100000211596 [0,1,0,1,0,0|1,0,1]=4 12585 B16R2.3322 O=C(CSc1ccccc1)N2CC(C2)O 527a_100000749847_100000211596 [0,1,0,1,0,0|1,0,1]=4 12586 B16R2.3322 O=C(CSc1ccccc1)N2CC(C2)O 62a_100013143841_100000041952 [0,1,0,1,0,0|1,0,1]=4 12587 B16R2.3322 O=C(NCc1ccccc1)N2CC(C2)O 2708a_100015324214_100000749847 [0,1,0,1,0,0|1,0,1]=4 12588 B16R2.3322 O=C(NCc1ccccc1)N2CC(C2)O 273464a_100015324214_100000749847 [0,1,0,1,0,0|1,0,1]=4 12589 B16R2.44151 CN(C(=O)C=Cc1ccccc1)C2CC2 11a_100000226674_100000210462 [0,1,0,1,0,0|1,0,0]=3 12590 B16R2.44151 CN(C(=O)C=Cc1ccccc1)C2CC2 1626a_100000226674_100000210462 [0,1,0,1,0,0|1,0,0]=3 12591 B16R2.44151 CN(C(=O)C=Cc1ccccn1)C2CC2 11a_100000226674_100000740811 [0,1,0,1,0,0|2,0,0]=4 12592 B16R2.44151 CN(C(=O)C=Cc1ccccn1)C2CC2 240690a_100000226674_100000740811 [0,1,0,1,0,0|2,0,0]=4 12593 B16R2.44151 CN(C(=O)C=Cc1cccnc1)C2CC2 11a_100000226674_100000735890 [0,1,0,1,0,0|2,0,0]=4 12594 B16R2.44151 CN(C(=O)C=Cc1cccnc1)C2CC2 240690a_100000226674_100000735890 [0,1,0,1,0,0|2,0,0]=4 12595 B16R2.44151 CN(C(=O)C=Cc1ccncc1)C2CC2 240690a_100000226674_100000682801 [0,1,0,1,0,0|2,0,0]=4 12596 B16R2.249491 CN(CCO)C(=O)C1Cc2c1cccc2 240690a_100000210263_200000238571 [0,1,0,1,0,0|0,0,2]=4 12597 B16R2.249491 CN(CCO)C(=O)C1Cc2c1cccc2 527a_100000210263_200000238571 [0,1,0,1,0,0|0,0,2]=4 12598 B16R2.14690 Cc1ccccc1C=CC(=O)NC2CC2 1626a_100000212008_100016266485 [0,1,0,1,0,0|1,0,0]=3 12599 B16R2.14690 O=C(C=Cc1ccccc1Br)CC2CC2 1458a_100000719032_100000742324 [0,1,0,1,0,0|2,0,0]=4 12600 B16R2.14690 O=C(C=Cc1ccccc1Br)CC2CO2 1458a_100000719032_100011216344 [0,1,0,1,0,0|1,0,0]=3 12601 B16R2.14690 O=C(C=Cc1ccccc1Br)CC2CS2 1458a_100000719032_100000031435 [0,1,0,1,0,0|1,1,0]=4 12602 B16R2.14690 O=C(C=Cc1ccccc1Br)C[C@@H]2CO2 1458a_100000719032_100000745022 [0,1,0,1,0,0|1,0,0]=3 12603 B16R2.14690 O=C(C=Cc1ccccc1Br)NC2CC2 1626a_100000212008_100000719032 [0,1,0,1,0,0|1,0,0]=3 12604 B16R2.14690 O=C(C=Cc1ccccc1Br)NC2CC2 240690a_100000212008_100000719032 [0,1,0,1,0,0|1,0,0]=3 12605 B16R2.14690 O=C(C=Cc1ccccc1Cl)CC2CC2 1458a_100000720304_100000742324 [0,1,0,1,0,0|2,0,0]=4 12606 B16R2.14690 O=C(C=Cc1ccccc1Cl)CC2CO2 1458a_100000720304_100011216344 [0,1,0,1,0,0|1,0,0]=3 12607 B16R2.14690 O=C(C=Cc1ccccc1Cl)CC2CS2 1458a_100000720304_100000031435 [0,1,0,1,0,0|1,1,0]=4 12608 B16R2.14690 O=C(C=Cc1ccccc1Cl)C[C@@H]2CO2 1458a_100000720304_100000745022 [0,1,0,1,0,0|1,0,0]=3 12609 B16R2.14690 O=C(C=Cc1ccccc1Cl)NC2CC2 1626a_100000212008_100000720304 [0,1,0,1,0,0|1,0,0]=3 12610 B16R2.14690 O=C(C=Cc1ccccc1Cl)NC2CC2 240690a_100000212008_100000720304 [0,1,0,1,0,0|1,0,0]=3 12611 B16R2.14690 O=C(C=Cc1ccccc1F)CC2CC2 1458a_100016256065_100000742324 [0,1,0,1,0,0|2,0,0]=4 12612 B16R2.14690 O=C(C=Cc1ccccc1F)CC2CO2 1458a_100016256065_100011216344 [0,1,0,1,0,0|1,0,0]=3 12613 B16R2.14690 O=C(C=Cc1ccccc1F)CC2CS2 1458a_100016256065_100000031435 [0,1,0,1,0,0|1,1,0]=4 12614 B16R2.14690 O=C(C=Cc1ccccc1F)C[C@@H]2CO2 1458a_100016256065_100000745022 [0,1,0,1,0,0|1,0,0]=3 12615 B16R2.14690 O=C(C=Cc1ccccc1F)NC2CC2 1626a_100000212008_100016256065 [0,1,0,1,0,0|1,0,0]=3 12616 B16R2.14690 O=C(C=Cc1ccccc1F)NC2CC2 240690a_100000212008_100016256065 [0,1,0,1,0,0|1,0,0]=3 12617 B16R2.14690 O=C(C=Cc1ccccc1O)CC2CC2 1458a_100016263591_100000742324 [0,1,0,1,0,0|2,0,0]=4 12618 B16R2.14690 O=C(C=Cc1ccccc1O)CC2CO2 1458a_100016263591_100011216344 [0,1,0,1,0,0|1,0,0]=3 12619 B16R2.14690 O=C(C=Cc1ccccc1O)CC2CS2 1458a_100016263591_100000031435 [0,1,0,1,0,0|1,1,0]=4 12620 B16R2.14690 O=C(C=Cc1ccccc1O)C[C@@H]2CO2 1458a_100016263591_100000745022 [0,1,0,1,0,0|1,0,0]=3 12621 B16R2.84027 O=C(C=Cc1ccccc1Br)C2CCC2 1458a_100000719032_100000749161 [0,1,0,1,0,0|2,0,0]=4 12622 B16R2.84027 O=C(C=Cc1ccccc1Br)N2CCC2 11a_100000754969_100000719032 [0,1,0,1,0,0|1,0,0]=3 12623 B16R2.84027 O=C(C=Cc1ccccc1Br)N2CCC2 240690a_100000754969_100000719032 [0,1,0,1,0,0|1,0,0]=3 12624 B16R2.84027 O=C(C=Cc1ccccc1Cl)C2CCC2 1458a_100000720304_100000749161 [0,1,0,1,0,0|2,0,0]=4 12625 B16R2.84027 O=C(C=Cc1ccccc1Cl)N2CCC2 11a_100000754969_100000720304 [0,1,0,1,0,0|1,0,0]=3 12626 B16R2.84027 O=C(C=Cc1ccccc1Cl)N2CCC2 240690a_100000754969_100000720304 [0,1,0,1,0,0|1,0,0]=3 12627 B16R2.84027 O=C(C=Cc1ccccc1F)C2CCC2 1458a_100016256065_100000749161 [0,1,0,1,0,0|2,0,0]=4 12628 B16R2.84027 O=C(C=Cc1ccccc1F)N2CCC2 11a_100000754969_100016256065 [0,1,0,1,0,0|1,0,0]=3 12629 B16R2.84027 O=C(C=Cc1ccccc1F)N2CCC2 240690a_100000754969_100016256065 [0,1,0,1,0,0|1,0,0]=3 12630 B16R2.84027 O=C(C=Cc1ccccc1O)C2CCC2 1458a_100016263591_100000749161 [0,1,0,1,0,0|2,0,0]=4 12631 B16R2.163604 CCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000210303 [0,1,0,1,0,0|2,0,0]=4 12632 B16R2.163604 CCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000210303 [0,1,0,1,0,0|2,0,0]=4 12633 B16R2.163604 Nc1cccc2c1ccc(c2)OCCO 34a_100000034668_100000211926 [0,1,0,1,0,0|2,0,0]=4 12634 B16R2.163604 Nc1cccc2c1ccc(c2)OCCO 7a_100000034668_100000211926 [0,1,0,1,0,0|2,0,0]=4 12635 B16R2.163604 Nc1cccc2c1ccc(c2)SCCO 62a_100000211926_100010090037 [0,1,0,1,0,0|2,0,0]=4 12636 B16R2.163604 Nc1cccc2c1ccc(c2)SCCO 62a_100010090037_100000211926 [0,1,0,1,0,0|2,0,0]=4 12637 B16R2.163604 OCCNc1ccc2c(cccc2c1)O 34a_100000035793_100000211926 [0,1,0,1,0,0|1,0,0]=3 12638 B16R2.163604 OCCNc1ccc2c(cccc2c1)O 7a_100000035793_100000211926 [0,1,0,1,0,0|1,0,0]=3 12639 B16R2.163604 OCCNc1ccc2c(ccnc2c1)Cl 27a_100000210304_100009996786 [0,1,0,1,0,0|2,0,0]=4 12640 B16R2.163604 OCCSc1ccc2c(cccc2c1)O 62a_100000211926_100010202202 [0,1,0,1,0,0|2,0,0]=4 12641 B16R2.163604 Oc1cccc2c1ccc(c2)NCCF 34a_100000035793_100011217306 [0,1,0,1,0,0|2,0,0]=4 12642 B16R2.163604 Oc1cccc2c1ccc(c2)NCCF 7a_100000035793_100011217306 [0,1,0,1,0,0|2,0,0]=4 12643 B16R2.2942 CCCNc1ccc2ccccc2c1Br 34a_100000705303_100000210303 [0,1,0,1,0,0|2,0,0]=4 12644 B16R2.2942 CCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000210303 [0,1,0,1,0,0|2,0,0]=4 12645 B16R2.2942 CCCNc1ccc2ccccc2c1O 34a_100000007060_100000210303 [0,1,0,1,0,0|1,0,1]=4 12646 B16R2.2942 Cc1c(ccc2c1cccc2)OCCO 34a_100009830054_100000211926 [0,1,0,1,0,0|2,0,0]=4 12647 B16R2.2942 Cc1c(ccc2c1cccc2)OCCO 7a_100009830054_100000211926 [0,1,0,1,0,0|2,0,0]=4 12648 B16R2.2942 Cc1c(ccc2c1cccc2)SCCO 62a_100000211926_100010221197 [0,1,0,1,0,0|2,0,0]=4 12649 B16R2.2942 Cc1c(ccc2c1cccc2)SCCO 62a_100010221197_100000211926 [0,1,0,1,0,0|2,0,0]=4 12650 B16R2.2942 FCCNc1ccc2ccccc2c1Br 34a_100000705303_100011217306 [0,1,0,1,0,0|2,0,0]=4 12651 B16R2.2942 FCCNc1ccc2ccccc2c1Cl 34a_100000075557_100011217306 [0,1,0,1,0,0|2,0,0]=4 12652 B16R2.2942 Nc1c(ccc2c1cccc2)OCCO 34a_100000007056_100000211926 [0,1,0,1,0,0|2,0,0]=4 12653 B16R2.2942 Nc1c(ccc2c1cccc2)OCCO 7a_100000007056_100000211926 [0,1,0,1,0,0|2,0,0]=4 12654 B16R2.2942 Nc1c(ccc2c1cccc2)SCCO 62a_100009817101_100000211926 [0,1,0,1,0,0|2,0,0]=4 12655 B16R2.2942 O=c1c(c[nH]c2c1cccc2)SCCO 62a_100000211926_100012348052 [0,1,0,1,0,0|2,0,0]=4 12656 B16R2.2942 O=c1c(coc2c1cccc2)SCCO 62a_100000211926_100009813851 [0,1,0,1,0,0|2,0,0]=4 12657 B16R2.2942 OCCNc1ccc2ccccc2c1Br 34a_100000705303_100000211926 [0,1,0,1,0,0|1,0,0]=3 12658 B16R2.2942 OCCNc1ccc2ccccc2c1Cl 34a_100000075557_100000211926 [0,1,0,1,0,0|1,0,0]=3 12659 B16R2.2942 OCCNc1ccc2ccccc2c1O 34a_100000007060_100000211926 [0,1,0,1,0,0|0,0,1]=3 12660 B16R2.2942 OCCNc1ccc2cnccc2c1Cl 34a_100009851981_100000211926 [0,1,0,1,0,0|2,0,0]=4 12661 B16R2.2942 OCCNc1ccc2ncccc2c1Br 34a_200009995563_100000211926 [0,1,0,1,0,0|2,0,0]=4 12662 B16R2.2942 OCCOc1ccc2ccccc2c1Br 34a_100000183829_100000211926 [0,1,0,1,0,0|2,0,0]=4 12663 B16R2.2942 OCCOc1ccc2ccccc2c1Br 7a_100000183829_100000211926 [0,1,0,1,0,0|2,0,0]=4 12664 B16R2.2942 OCCOc1ccc2ccccc2c1Cl 34a_100000029778_100000211926 [0,1,0,1,0,0|2,0,0]=4 12665 B16R2.2942 OCCOc1ccc2ccccc2c1Cl 7a_100000029778_100000211926 [0,1,0,1,0,0|2,0,0]=4 12666 B16R2.2942 OCCOc1ccc2ccccc2c1I 34a_100000041551_100000211926 [0,1,0,1,0,0|2,0,0]=4 12667 B16R2.2942 OCCOc1ccc2ccccc2c1I 7a_100000041551_100000211926 [0,1,0,1,0,0|2,0,0]=4 12668 B16R2.2942 OCCSc1ccc2ccccc2c1Br 62a_100000211926_200010089984 [0,1,0,1,0,0|2,0,0]=4 12669 B16R2.2942 OCCSc1ccc2ccccc2c1Br 62a_200010089984_100000211926 [0,1,0,1,0,0|2,0,0]=4 12670 B16R2.2942 OCCSc1ccc2ccccc2c1F 62a_100000211926_100009832041 [0,1,0,1,0,0|2,0,0]=4 12671 B16R2.2942 OCCSc1ccc2ccccc2c1F 62a_100009832041_100000211926 [0,1,0,1,0,0|2,0,0]=4 12672 B16R2.2942 OCCSc1ccc2ccccc2c1O 62a_100000211926_100009996032 [0,1,0,1,0,0|1,0,1]=4 12673 B16R2.2942 Oc1c(ccc2c1cccc2)NCCF 34a_100000007060_100011217306 [0,1,0,1,0,0|1,0,1]=4 12674 B16R2.477 CC(C)CNc1ccc2ccccc2c1 34a_100000211940_100000210624 [0,1,0,1,0,0|2,0,0]=4 12675 B16R2.477 CC(C)CNc1ccc2ccccc2c1 7a_100000211940_100000210760 [0,1,0,1,0,0|2,0,0]=4 12676 B16R2.477 CC(C)CNc1ccc2ccccc2n1 27a_100000210953_100011291633 [0,1,0,1,0,0|2,0,0]=4 12677 B16R2.477 CC(O)CNc1ccc2ccccc2c1 34a_100000211940_100011218427 [0,1,0,1,0,0|1,0,0]=3 12678 B16R2.477 CC(O)CNc1ccc2ccccc2c1 7a_100000211940_100011218427 [0,1,0,1,0,0|1,0,0]=3 12679 B16R2.477 CC(O)CNc1ccc2ccccc2n1 27a_100000210904_100011291633 [0,1,0,1,0,0|1,0,0]=3 12680 B16R2.477 CC(O)CNc1ccc2cccnc2c1 34a_100102887122_100011218427 [0,1,0,1,0,0|2,0,0]=4 12681 B16R2.477 CC(O)CNc1ccc2cccnc2n1 27a_100000210904_100000075685 [0,1,0,1,0,0|2,0,0]=4 12682 B16R2.477 CC(O)CNc1ccc2ccncc2n1 27a_100000210904_100000020162 [0,1,0,1,0,0|2,0,0]=4 12683 B16R2.477 CC(O)CNc1ccc2cnccc2c1 34a_100000039641_100011218427 [0,1,0,1,0,0|2,0,0]=4 12684 B16R2.477 CC(O)CNc1ccc2ncccc2c1 34a_100011198106_100011218427 [0,1,0,1,0,0|2,0,0]=4 12685 B16R2.477 CC(O)CNc1ccc2ncccc2n1 27a_100000210904_100000073381 [0,1,0,1,0,0|2,0,0]=4 12686 B16R2.477 CC(O)CNc1cnc2ccccc2n1 27a_100000210904_100000756483 [0,1,0,1,0,0|2,0,0]=4 12687 B16R2.477 CC(O)CNc1ncc2ccccc2n1 27a_100000210904_100000097389 [0,1,0,1,0,0|2,0,0]=4 12688 B16R2.477 CC(O)COc1ccc2ccccc2c1 34a_100000185828_100011218427 [0,1,0,1,0,0|2,0,0]=4 12689 B16R2.477 CC(O)COc1ccc2ccccc2c1 7a_100000185828_100011218427 [0,1,0,1,0,0|2,0,0]=4 12690 B16R2.477 CC(O)CSc1ccc2ccccc2c1 62a_100011218427_100000233703 [0,1,0,1,0,0|2,0,0]=4 12691 B16R2.477 CC(O)CSc1ccc2ccccc2n1 62a_100011218427_100011291633 [0,1,0,1,0,0|2,0,0]=4 12692 B16R2.477 CC(O)CSc1ccc2ccccc2n1 62a_100011291633_100011218427 [0,1,0,1,0,0|2,0,0]=4 12693 B16R2.477 C[C@@H](O)CNc1ccc2ccccc2c1 34a_100000211940_100009817552 [0,1,0,1,0,0|1,0,0]=3 12694 B16R2.477 C[C@@H](O)CNc1ccc2ccccc2c1 7a_100000211940_100009817552 [0,1,0,1,0,0|1,0,0]=3 12695 B16R2.477 C[C@@H](O)CNc1ccc2cccnc2c1 34a_100102887122_100009817552 [0,1,0,1,0,0|2,0,0]=4 12696 B16R2.477 C[C@@H](O)CNc1ccc2cnccc2c1 34a_100000039641_100009817552 [0,1,0,1,0,0|2,0,0]=4 12697 B16R2.477 C[C@@H](O)CNc1ccc2ncccc2c1 34a_100011198106_100009817552 [0,1,0,1,0,0|2,0,0]=4 12698 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 34a_100000185828_100009817552 [0,1,0,1,0,0|2,0,0]=4 12699 B16R2.477 C[C@@H](O)COc1ccc2ccccc2c1 7a_100000185828_100009817552 [0,1,0,1,0,0|2,0,0]=4 12700 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2c1 62a_100009817552_100000233703 [0,1,0,1,0,0|2,0,0]=4 12701 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2n1 62a_100009817552_100011291633 [0,1,0,1,0,0|2,0,0]=4 12702 B16R2.477 C[C@@H](O)CSc1ccc2ccccc2n1 62a_100011291633_100009817552 [0,1,0,1,0,0|2,0,0]=4 12703 B16R2.477 FC(F)CNc1ccc2ccccc2c1 34a_100000211940_100011934356 [0,1,0,1,0,0|2,0,0]=4 12704 B16R2.477 FC(F)CNc1ccc2ccccc2c1 7a_100000211940_100011934356 [0,1,0,1,0,0|2,0,0]=4 12705 B16R2.477 FC(F)CNc1ccc2ccccc2n1 27a_100000765723_100011291633 [0,1,0,1,0,0|2,0,0]=4 12706 B16R2.249076 CC(O)CNC(=O)C1Cc2c1cccc2 11a_100000210904_200000238571 [0,1,0,1,0,0|0,0,2]=4 12707 B16R2.249076 CC(O)CNC(=O)C1Cc2c1cccc2 240690a_100000210904_200000238571 [0,1,0,1,0,0|0,0,2]=4 12708 B16R2.249076 CC(O)CNC(=O)C1Cc2c1cccc2 527a_100000210904_200000238571 [0,1,0,1,0,0|0,0,2]=4 12709 B16R2.322171 O=S(=O)(C=Cc1ccccc1)N2CCC2 40a_100000754969_100011098038 [0,1,0,1,0,0|2,0,0]=4 12710 B16R3.63903 c1ccc2cc(ccc2c1)NC3CC3 34a_100000211940_100000211595 [0,0,0,2,0,0|2,0,0]=4 12711 B16R3.63903 c1ccc2nc(ccc2c1)NC3CC3 27a_100000212008_100011291633 [0,0,0,2,0,0|2,0,0]=4 12712 B16R3.275899 c1ccc2nc(ccc2c1)N3CCC3 27a_100000754969_100011291633 [0,0,0,2,0,0|2,0,0]=4 12713 B12R1.37 OCCNCC=Cc1ccco1 270004a_100000210304_100000185671 [1,0,0,0,1,0|1,0,1]=4 12714 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [1,0,0,0,1,0|1,0,1]=4 12715 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [1,0,0,0,1,0|2,0,0]=4 12716 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [1,0,0,0,1,0|2,0,0]=4 12717 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [1,0,0,0,1,0|2,0,0]=4 12718 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [1,0,0,0,1,0|2,0,0]=4 12719 B12R1.32 CCNC(=O)C[n+]1ccccc1 11a_100015525214_200000086051 [1,0,0,0,1,0|1,0,1]=4 12720 B12R1.32 CCNC(=O)C[n+]1ccccc1 240690a_100015525214_200000086051 [1,0,0,0,1,0|1,0,1]=4 12721 B12R1.32 CCNC(=O)C[n+]1ccccc1 527a_100015525214_200000086051 [1,0,0,0,1,0|1,0,1]=4 12722 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [1,0,0,0,1,0|1,0,1]=4 12723 B12R1.32 CCNC(=O)Cc1cccnc1 11a_100015525214_100000737805 [1,0,0,0,1,0|1,0,1]=4 12724 B12R1.32 CCNC(=O)Cc1cccnc1 240690a_100015525214_100000737805 [1,0,0,0,1,0|1,0,1]=4 12725 B12R1.32 CCNC(=O)Cc1cccnc1 527a_100015525214_100000737805 [1,0,0,0,1,0|1,0,1]=4 12726 B12R1.32 CCNC(=O)Cc1ccncc1 11a_100015525214_100011201483 [1,0,0,0,1,0|1,0,1]=4 12727 B12R1.32 CCNC(=O)Cc1ccncc1 240690a_100015525214_100011201483 [1,0,0,0,1,0|1,0,1]=4 12728 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [1,0,0,0,1,0|1,0,0]=3 12729 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [1,0,0,0,1,0|1,0,1]=4 12730 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [1,0,0,0,1,0|0,0,1]=3 12731 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [1,0,0,0,1,0|1,0,1]=4 12732 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [1,0,0,0,1,0|1,0,1]=4 12733 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [1,0,0,0,1,0|1,0,1]=4 12734 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [1,0,0,0,1,0|1,0,1]=4 12735 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [1,0,0,0,1,0|1,0,1]=4 12736 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [1,0,0,0,1,0|1,0,0]=3 12737 B12R1.51 CCCC(=O)C=Cc1cccs1 1458a_100000182767_100000210303 [1,0,0,0,1,0|2,0,0]=4 12738 B12R1.51 CCCC(=O)C=Cc1ccoc1 1458a_100000238621_100000210303 [1,0,0,0,1,0|2,0,0]=4 12739 B12R1.51 CCCC(=O)C=Cc1ccsc1 1458a_100000698588_100000210303 [1,0,0,0,1,0|2,0,0]=4 12740 B12R1.51 CCNC(=O)C=Cc1c[nH]cn1 240690a_100015525214_100102678534 [1,0,0,0,1,0|2,0,0]=4 12741 B12R1.51 CCNC(=O)C=Cc1cccs1 11a_100015525214_100000182767 [1,0,0,0,1,0|1,0,0]=3 12742 B12R1.51 CCNC(=O)C=Cc1cccs1 240690a_100015525214_100000182767 [1,0,0,0,1,0|1,0,0]=3 12743 B12R1.51 CCNC(=O)C=Cc1ccoc1 11a_100015525214_100000238621 [1,0,0,0,1,0|1,0,0]=3 12744 B12R1.51 CCNC(=O)C=Cc1ccoc1 240690a_100015525214_100000238621 [1,0,0,0,1,0|1,0,0]=3 12745 B12R1.51 CCNC(=O)C=Cc1ccsc1 11a_100015525214_100000698588 [1,0,0,0,1,0|1,0,0]=3 12746 B12R1.51 CCNC(=O)C=Cc1ccsc1 240690a_100015525214_100000698588 [1,0,0,0,1,0|1,0,0]=3 12747 B12R1.51 CCNC(=O)C=Cc1ccsc1 527a_100015525214_100000698588 [1,0,0,0,1,0|1,0,0]=3 12748 B12R1.51 CCNC(=O)C=Cc1cscn1 11a_100015525214_200000747928 [1,0,0,0,1,0|2,0,0]=4 12749 B12R1.51 CCNC(=O)C=Cc1cscn1 240690a_100015525214_200000747928 [1,0,0,0,1,0|2,0,0]=4 12750 B12R1.51 CCNC(=O)C=Cc1nccs1 11a_100015525214_100102558208 [1,0,0,0,1,0|2,0,0]=4 12751 B12R1.51 CCNC(=O)C=Cc1nccs1 240690a_100015525214_100102558208 [1,0,0,0,1,0|2,0,0]=4 12752 B12R1.51 CCOC(=O)C=Cc1ccco1 271570a_100010199719_100009814098 [1,0,0,0,1,0|2,0,0]=4 12753 B12R1.51 CCOC(=O)C=Cc1cccs1 271570a_100010199719_100011215356 [1,0,0,0,1,0|2,0,0]=4 12754 B12R1.51 CCOC(=O)C=Cc1ccoc1 271570a_100010199719_100011215275 [1,0,0,0,1,0|2,0,0]=4 12755 B12R1.51 CCOC(=O)C=Cc1ccsc1 271570a_100010199719_100000738268 [1,0,0,0,1,0|2,0,0]=4 12756 B12R1.51 CNNC(=O)C=Cc1ccco1 22a_100016993582_100000720202 [1,0,0,0,1,0|2,0,0]=4 12757 B12R1.51 CNNC(=O)C=Cc1cccs1 22a_100016993582_100000182767 [1,0,0,0,1,0|2,0,0]=4 12758 B12R1.51 CNNC(=O)C=Cc1ccoc1 22a_100016993582_100000238621 [1,0,0,0,1,0|2,0,0]=4 12759 B12R1.51 CNNC(=O)C=Cc1ccsc1 22a_100016993582_100000698588 [1,0,0,0,1,0|2,0,0]=4 12760 B12R1.51 O=C(C=Cc1c[nH]cn1)CCO 1458a_100102678534_100000211926 [1,0,0,0,1,0|2,0,0]=4 12761 B12R1.51 O=C(C=Cc1cccs1)CCF 1458a_100000182767_100011217306 [1,0,0,0,1,0|2,0,0]=4 12762 B12R1.51 O=C(C=Cc1cccs1)CCO 1458a_100000182767_100000211926 [1,0,0,0,1,0|1,0,0]=3 12763 B12R1.51 O=C(C=Cc1ccoc1)CCF 1458a_100000238621_100011217306 [1,0,0,0,1,0|2,0,0]=4 12764 B12R1.51 O=C(C=Cc1ccoc1)CCO 1458a_100000238621_100000211926 [1,0,0,0,1,0|1,0,0]=3 12765 B12R1.51 O=C(C=Cc1ccsc1)CCF 1458a_100000698588_100011217306 [1,0,0,0,1,0|2,0,0]=4 12766 B12R1.51 O=C(C=Cc1ccsc1)CCO 1458a_100000698588_100000211926 [1,0,0,0,1,0|1,0,0]=3 12767 B12R1.51 O=C(C=Cc1cscn1)CCO 1458a_200000747928_100000211926 [1,0,0,0,1,0|2,0,0]=4 12768 B12R1.51 O=C(C=Cc1nccs1)CCO 1458a_100102558208_100000211926 [1,0,0,0,1,0|2,0,0]=4 12769 B12R1.30 C#CCNC(=O)c1ccccc1 11a_100000212058_100000185807 [0,0,0,0,2,0|1,0,1]=4 12770 B12R1.30 C#CCNC(=O)c1ccccc1 1626a_100000212058_100000185807 [0,0,0,0,2,0|1,0,1]=4 12771 B12R1.30 C#CCNC(=O)c1ccccc1 240690a_100000212058_100000185807 [0,0,0,0,2,0|1,0,1]=4 12772 B12R1.30 C#CCNC(=O)c1ccccc1 527a_100000212058_100000185807 [0,0,0,0,2,0|1,0,1]=4 12773 B12R1.30 C=CCNC(=O)c1ccccc1 1626a_100020586998_100000185807 [0,0,0,0,2,0|1,0,1]=4 12774 B12R1.30 C=CCNC(=O)c1ccccc1 240690a_100020586998_100000185807 [0,0,0,0,2,0|1,0,1]=4 12775 B12R1.30 C=CCNC(=O)c1ccccc1 527a_100020586998_100000185807 [0,0,0,0,2,0|1,0,1]=4 12776 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,0,0,0,2,0|1,0,1]=4 12777 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,0,0,0,2,0|1,0,1]=4 12778 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,0,0,0,2,0|1,0,1]=4 12779 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [0,0,0,0,2,0|2,0,0]=4 12780 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [0,0,0,0,2,0|1,0,0]=3 12781 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [0,0,0,0,2,0|1,0,0]=3 12782 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [0,0,0,0,2,0|1,0,0]=3 12783 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [0,0,0,0,2,0|1,0,0]=3 12784 B12R1.30 CCNNC(=O)c1ccccc1 22a_100000756455_100000185807 [0,0,0,0,2,0|2,0,0]=4 12785 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,0,0,0,2,0|1,0,1]=4 12786 B12R1.30 N#CCNC(=O)c1ccccc1 1626a_100000734998_100000185807 [0,0,0,0,2,0|1,0,1]=4 12787 B12R1.30 N#CCNC(=O)c1ccccc1 527a_100000734998_100000185807 [0,0,0,0,2,0|1,0,1]=4 12788 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [0,0,0,0,2,0|2,0,0]=4 12789 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [0,0,0,0,2,0|1,0,0]=3 12790 B12R1.30 O=C(NCCF)c1ccccc1 11a_100000724931_100000185807 [0,0,0,0,2,0|1,0,0]=3 12791 B12R1.30 O=C(NCCF)c1ccccc1 1626a_100000724931_100000185807 [0,0,0,0,2,0|1,0,0]=3 12792 B12R1.30 O=C(NCCF)c1ccccc1 240690a_100000724931_100000185807 [0,0,0,0,2,0|1,0,0]=3 12793 B12R1.30 O=C(NCCF)c1ccccc1 527a_100000724931_100000185807 [0,0,0,0,2,0|1,0,0]=3 12794 B12R1.30 O=C(NCCO)c1ccccc1 240690a_100000210304_100000185807 [0,0,0,0,2,0|0,0,0]=2 12795 B12R1.30 O=C(NCCO)c1ccccc1 527a_100000210304_100000185807 [0,0,0,0,2,0|0,0,0]=2 12796 B12R1.53 O=C(Cc1ccc[nH]1)NCCO 240690a_100000210304_100000238377 [0,0,0,0,2,0|1,0,1]=4 12797 B12R1.53 O=C(Cc1ccc[nH]1)NCCO 527a_100000210304_100000238377 [0,0,0,0,2,0|1,0,1]=4 12798 B12R1.53 O=C(Cc1ccco1)NCCO 527a_100000210304_100011217309 [0,0,0,0,2,0|1,0,1]=4 12799 B12R1.53 O=C(Cc1cccs1)NCCO 240690a_100000210304_100000210189 [0,0,0,0,2,0|1,0,1]=4 12800 B12R1.53 O=C(Cc1ccoc1)NCCO 240690a_100000210304_100000684892 [0,0,0,0,2,0|1,0,1]=4 12801 B12R1.53 O=C(Cc1ccoc1)NCCO 527a_100000210304_100000684892 [0,0,0,0,2,0|1,0,1]=4 12802 B12R1.53 O=C(Cc1ccsc1)NCCO 240690a_100000210304_100000184062 [0,0,0,0,2,0|1,0,1]=4 12803 B12R1.53 O=C(Cc1ccsc1)NCCO 527a_100000210304_100000184062 [0,0,0,0,2,0|1,0,1]=4 12804 B12R1.53 O=C(Cn1cccc1)NCCO 527a_100000210304_100011196272 [0,0,0,0,2,0|1,0,1]=4 12805 B16R1.1465 C#CCNC(=O)C=C/C=C/c1ccccc1 1626a_100000212058_100016289705 [0,0,0,0,0,2|1,0,1]=4 12806 B16R1.1465 C#CCNC(=O)C=CCCc1ccccc1 11a_100000212058_100016484021 [0,0,0,0,0,2|1,0,1]=4 12807 B16R1.1465 C#CCNC(=O)C=CCCc1ccccc1 1626a_100000212058_100016484021 [0,0,0,0,0,2|1,0,1]=4 12808 B16R1.1465 C#CCNC(=O)C=CCCc1ccccc1 240690a_100000212058_100016484021 [0,0,0,0,0,2|1,0,1]=4 12809 B16R1.1465 C#CCNC(=O)NC/C=C/c1ccccc1 2708a_100000212058_100020603302 [0,0,0,0,0,2|1,0,1]=4 12810 B16R1.1465 C#CCNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100000212058 [0,0,0,0,0,2|1,0,1]=4 12811 B16R1.1465 C#CCNC(=O)NC/C=C/c1ccccc1 273464a_100000212058_100020603302 [0,0,0,0,0,2|1,0,1]=4 12812 B16R1.1465 C#CCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100000212058 [0,0,0,0,0,2|1,0,1]=4 12813 B16R1.1465 C#CCNC(=O)NC/C=C/c1ccccc1 512a_100000212058_100020603302 [0,0,0,0,0,2|1,0,1]=4 12814 B16R1.1465 C#CCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100000212058 [0,0,0,0,0,2|1,0,1]=4 12815 B16R1.1465 C=CCNC(=O)C=C/C=C/c1ccccc1 1626a_100020586998_100016289705 [0,0,0,0,0,2|1,0,1]=4 12816 B16R1.1465 C=CCNC(=O)C=CCCc1ccccc1 1626a_100020586998_100016484021 [0,0,0,0,0,2|1,0,1]=4 12817 B16R1.1465 C=CCNC(=O)C=CCCc1ccccc1 240690a_100020586998_100016484021 [0,0,0,0,0,2|1,0,1]=4 12818 B16R1.1465 C=CCNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100020586998 [0,0,0,0,0,2|1,0,1]=4 12819 B16R1.1465 C=CCNC(=O)NC/C=C/c1ccccc1 273464a_100020586998_100020603302 [0,0,0,0,0,2|1,0,1]=4 12820 B16R1.1465 C=CCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100020586998 [0,0,0,0,0,2|1,0,1]=4 12821 B16R1.1465 C=CCNC(=O)NC/C=C/c1ccccc1 512a_100020586998_100020603302 [0,0,0,0,0,2|1,0,1]=4 12822 B16R1.1465 C=CCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100020586998 [0,0,0,0,0,2|1,0,1]=4 12823 B16R1.1465 CCCCC(=O)C=C/C=C/c1ccccc1 1458a_100016289705_100000210211 [0,0,0,0,0,2|2,0,0]=4 12824 B16R1.1465 CCCCC(=O)C=CCCc1ccccc1 1458a_100016484021_100000210211 [0,0,0,0,0,2|2,0,0]=4 12825 B16R1.1465 CCCCC(=O)NC/C=C/c1ccccc1 11a_100020603302_100000210183 [0,0,0,0,0,2|2,0,0]=4 12826 B16R1.1465 CCCCC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100000210183 [0,0,0,0,0,2|2,0,0]=4 12827 B16R1.1465 CCCCC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100000210183 [0,0,0,0,0,2|2,0,0]=4 12828 B16R1.1465 CCCCC(=O)NC/C=C/c1ccccc1 527a_100020603302_100000210183 [0,0,0,0,0,2|2,0,0]=4 12829 B16R1.1465 CCCNC(=O)C=C/C=C/c1ccccc1 1626a_100020643023_100016289705 [0,0,0,0,0,2|1,0,0]=3 12830 B16R1.1465 CCCNC(=O)C=CCCc1ccccc1 11a_100020643023_100016484021 [0,0,0,0,0,2|1,0,0]=3 12831 B16R1.1465 CCCNC(=O)C=CCCc1ccccc1 1626a_100020643023_100016484021 [0,0,0,0,0,2|1,0,0]=3 12832 B16R1.1465 CCCNC(=O)C=CCCc1ccccc1 240690a_100020643023_100016484021 [0,0,0,0,0,2|1,0,0]=3 12833 B16R1.1465 CCCNC(=O)NC/C=C/c1ccccc1 2708a_100020603302_100020643023 [0,0,0,0,0,2|1,0,0]=3 12834 B16R1.1465 CCCNC(=O)NC/C=C/c1ccccc1 2708a_100020643023_100020603302 [0,0,0,0,0,2|1,0,0]=3 12835 B16R1.1465 CCCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100020643023 [0,0,0,0,0,2|1,0,0]=3 12836 B16R1.1465 CCCNC(=O)NC/C=C/c1ccccc1 273464a_100020643023_100020603302 [0,0,0,0,0,2|1,0,0]=3 12837 B16R1.1465 CCCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100020643023 [0,0,0,0,0,2|1,0,0]=3 12838 B16R1.1465 CCCNC(=O)NC/C=C/c1ccccc1 512a_100020643023_100020603302 [0,0,0,0,0,2|1,0,0]=3 12839 B16R1.1465 CCNNC(=O)C=C/C=C/c1ccccc1 22a_100000756455_100016289705 [0,0,0,0,0,2|2,0,0]=4 12840 B16R1.1465 CCNNC(=O)C=CCCc1ccccc1 22a_100000756455_100016484021 [0,0,0,0,0,2|2,0,0]=4 12841 B16R1.1465 CCNNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100000756455 [0,0,0,0,0,2|2,0,0]=4 12842 B16R1.1465 CCNNC(=O)NC/C=C/c1ccccc1 512a_100000756455_100020603302 [0,0,0,0,0,2|2,0,0]=4 12843 B16R1.1465 CCNNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100000756455 [0,0,0,0,0,2|2,0,0]=4 12844 B16R1.1465 N#CCNC(=O)C=C/C=C/c1ccccc1 1626a_100000734998_100016289705 [0,0,0,0,0,2|1,0,1]=4 12845 B16R1.1465 N#CCNC(=O)C=CCCc1ccccc1 1626a_100000734998_100016484021 [0,0,0,0,0,2|1,0,1]=4 12846 B16R1.1465 N#CCNC(=O)NC/C=C/c1ccccc1 2708a_100000734998_100020603302 [0,0,0,0,0,2|1,0,1]=4 12847 B16R1.1465 N#CCNC(=O)NC/C=C/c1ccccc1 273464a_100000734998_100020603302 [0,0,0,0,0,2|1,0,1]=4 12848 B16R1.1465 N#CCNC(=O)NC/C=C/c1ccccc1 273464a_100020603302_100000734998 [0,0,0,0,0,2|1,0,1]=4 12849 B16R1.1465 N#CCNC(=O)NC/C=C/c1ccccc1 512a_100000734998_100020603302 [0,0,0,0,0,2|1,0,1]=4 12850 B16R1.1465 N#CCNC(=O)NC/C=C/c1ccccc1 512a_100020603302_100000734998 [0,0,0,0,0,2|1,0,1]=4 12851 B16R1.1465 O=C(C=C/C=C/c1ccccc1)CCCF 1458a_100016289705_100011934791 [0,0,0,0,0,2|2,0,0]=4 12852 B16R1.1465 O=C(C=C/C=C/c1ccccc1)CCCO 1458a_100016289705_100011215043 [0,0,0,0,0,2|1,0,0]=3 12853 B16R1.1465 O=C(C=C/C=C/c1ccccc1)NCCF 1626a_100000724931_100016289705 [0,0,0,0,0,2|1,0,0]=3 12854 B16R1.1465 O=C(C=CCCc1ccccc1)CCCF 1458a_100016484021_100011934791 [0,0,0,0,0,2|2,0,0]=4 12855 B16R1.1465 O=C(C=CCCc1ccccc1)CCCO 1458a_100016484021_100011215043 [0,0,0,0,0,2|1,0,0]=3 12856 B16R1.1465 O=C(C=CCCc1ccccc1)NCCF 11a_100000724931_100016484021 [0,0,0,0,0,2|1,0,0]=3 12857 B16R1.1465 O=C(C=CCCc1ccccc1)NCCF 1626a_100000724931_100016484021 [0,0,0,0,0,2|1,0,0]=3 12858 B16R1.1465 O=C(C=CCCc1ccccc1)NCCF 240690a_100000724931_100016484021 [0,0,0,0,0,2|1,0,0]=3 12859 B16R1.1465 O=C(C=CCCc1ccccc1)NCCO 240690a_100000210304_100016484021 [0,0,0,0,0,2|0,0,0]=2 12860 B16R1.1465 O=C(CCCCc1ccccc1)NCCO 240690a_100000210304_100011215911 [0,0,0,0,0,2|0,0,2]=4 12861 B16R1.1465 O=C(CCCCc1ccccc1)NCCO 527a_100000210304_100011215911 [0,0,0,0,0,2|0,0,2]=4 12862 B16R1.1465 O=C(CCCOc1ccccc1)NCCO 240690a_100000210304_100000212059 [0,0,0,0,0,2|0,0,2]=4 12863 B16R1.1465 O=C(CCCOc1ccccc1)NCCO 527a_100000210304_100000212059 [0,0,0,0,0,2|0,0,2]=4 12864 B16R1.1465 O=C(CCCSc1ccccc1)NCCO 240690a_100000210304_100000182835 [0,0,0,0,0,2|0,0,2]=4 12865 B16R1.1465 O=C(CCCSc1ccccc1)NCCO 527a_100000210304_100000182835 [0,0,0,0,0,2|0,0,2]=4 12866 B16R1.1465 O=C(CCOCc1ccccc1)NCCO 240690a_100000210304_100000743319 [0,0,0,0,0,2|0,0,2]=4 12867 B16R1.1465 O=C(CCOCc1ccccc1)NCCO 527a_100000210304_100000743319 [0,0,0,0,0,2|0,0,2]=4 12868 B16R1.1465 O=C(CCSCc1ccccc1)NCCO 240690a_100000210304_100000173759 [0,0,0,0,0,2|0,0,2]=4 12869 B16R1.1465 O=C(CCSCc1ccccc1)NCCO 527a_100000210304_100000173759 [0,0,0,0,0,2|0,0,2]=4 12870 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCF 2708a_100020603302_100000724931 [0,0,0,0,0,2|1,0,0]=3 12871 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCF 273464a_100000724931_100020603302 [0,0,0,0,0,2|1,0,0]=3 12872 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCF 273464a_100020603302_100000724931 [0,0,0,0,0,2|1,0,0]=3 12873 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCF 512a_100020603302_100000724931 [0,0,0,0,0,2|1,0,0]=3 12874 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCO 2708a_100020603302_100000210304 [0,0,0,0,0,2|0,0,0]=2 12875 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCO 273464a_100000210304_100020603302 [0,0,0,0,0,2|0,0,0]=2 12876 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCO 273464a_100020603302_100000210304 [0,0,0,0,0,2|0,0,0]=2 12877 B16R1.1465 O=C(NC/C=C/c1ccccc1)NCCO 512a_100020603302_100000210304 [0,0,0,0,0,2|0,0,0]=2 12878 B16R1.1465 O=C(NCC#Cc1ccccc1)NCCO 2708a_100000735379_100000210304 [0,0,0,0,0,2|0,0,2]=4 12879 B16R1.1465 O=C(NCC#Cc1ccccc1)NCCO 273464a_100000210304_100000735379 [0,0,0,0,0,2|0,0,2]=4 12880 B16R1.1465 O=C(NCC#Cc1ccccc1)NCCO 273464a_100000735379_100000210304 [0,0,0,0,0,2|0,0,2]=4 12881 B16R1.1465 O=C(NCC#Cc1ccccc1)NCCO 512a_100000735379_100000210304 [0,0,0,0,0,2|0,0,2]=4 12882 B16R1.1465 O=C(NCCO)NCCCc1ccccc1 2708a_100000211184_100000210304 [0,0,0,0,0,2|0,0,2]=4 12883 B16R1.1465 O=C(NCCO)NCCCc1ccccc1 273464a_100000210304_100000211184 [0,0,0,0,0,2|0,0,2]=4 12884 B16R1.1465 O=C(NCCO)NCCCc1ccccc1 273464a_100000211184_100000210304 [0,0,0,0,0,2|0,0,2]=4 12885 B16R1.1465 O=C(NCCO)NCCCc1ccccc1 512a_100000211184_100000210304 [0,0,0,0,0,2|0,0,2]=4 12886 B16R1.1465 O=C(NCCO)NCCOc1ccccc1 2708a_100000174943_100000210304 [0,0,0,0,0,2|0,0,2]=4 12887 B16R1.1465 O=C(NCCO)NCCOc1ccccc1 273464a_100000174943_100000210304 [0,0,0,0,0,2|0,0,2]=4 12888 B16R1.1465 O=C(NCCO)NCCOc1ccccc1 273464a_100000210304_100000174943 [0,0,0,0,0,2|0,0,2]=4 12889 B16R1.1465 O=C(NCCO)NCCOc1ccccc1 512a_100000174943_100000210304 [0,0,0,0,0,2|0,0,2]=4 12890 B16R1.1465 O=C(NCCO)NCCSc1ccccc1 2708a_100000189519_100000210304 [0,0,0,0,0,2|0,0,2]=4 12891 B16R1.1465 O=C(NCCO)NCCSc1ccccc1 273464a_100000189519_100000210304 [0,0,0,0,0,2|0,0,2]=4 12892 B16R1.1465 O=C(NCCO)NCCSc1ccccc1 273464a_100000210304_100000189519 [0,0,0,0,0,2|0,0,2]=4 12893 B16R1.1465 O=C(NCCO)NCCSc1ccccc1 512a_100000189519_100000210304 [0,0,0,0,0,2|0,0,2]=4 12894 B16R1.1465 O=C(NCCO)NNCCc1ccccc1 273464a_100000210304_100000740470 [0,0,0,0,0,2|0,0,2]=4 12895 B16R1.1465 O=C(NCCO)NNCCc1ccccc1 512a_100000740470_100000210304 [0,0,0,0,0,2|0,0,2]=4