0 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,0|1,0,2]=3 13 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,0|2,0,2]=4 14 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,0|1,0,2]=3 17 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,0|1,0,2]=3 18 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,0|2,0,2]=4 19 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,0|2,0,2]=4 22 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,0,0|2,0,2]=4 23 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,0,0|2,0,2]=4 24 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,0|2,0,1]=3 28 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,0|2,0,1]=3 32 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,0|2,0,1]=3 33 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,0|2,0,1]=3 34 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [0,0,0,0,0,0|1,0,3]=4 50 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,0,0,0,0,0|2,0,2]=4 51 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,0,0,0,0,0|2,0,2]=4 52 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,0,0,0,0,0|2,0,2]=4 53 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,0,0,0,0,0|2,0,2]=4 54 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,0,0,0,0,0|2,0,2]=4 55 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,0,0,0,0,0|2,0,2]=4 56 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,0,0,0,0,0|2,0,2]=4 57 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,0,0,0,0,0|2,0,2]=4 58 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,0,0,0,0,0|2,0,2]=4 59 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,0,0,0,0,0|2,0,2]=4 60 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,0,0|2,0,1]=3 61 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,0,0|2,0,1]=3 62 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,0,0|2,0,1]=3 63 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,0,0,0,0,0|3,0,1]=4 64 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,0,0,0,0,0|3,0,1]=4 66 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,0,0|2,0,1]=3 67 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,0,0|2,0,1]=3 68 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,0,0|3,0,1]=4 69 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,0,0,0,0,0|3,0,1]=4 71 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,0,0|1,0,2]=3 75 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,0,0|1,0,2]=3 76 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,0,0|2,0,2]=4 77 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,0,0,0,0,0|2,0,2]=4 78 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,0,0|1,0,2]=3 79 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,0,0|1,0,2]=3 80 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,0|2,0,2]=4 81 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,0|2,0,2]=4 82 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,0,0|2,0,2]=4 83 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,0,0|2,0,2]=4 84 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,0,0,0,0,0|2,0,2]=4 85 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,0,0,0,0,0|2,0,2]=4 86 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,0,0,0,0,0|2,0,2]=4 87 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,0,0,0,0,0|2,0,2]=4 88 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,0,0,0,0,0|2,0,2]=4 89 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,0|1,0,0]=1 90 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,0|2,0,0]=2 91 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,0|1,0,2]=3 92 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,0|2,0,2]=4 93 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,0,0,0,0,0|2,0,2]=4 94 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,0,0,0,0,0|2,0,2]=4 95 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,0|1,0,2]=3 96 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,0|2,0,2]=4 97 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,0|2,0,2]=4 98 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,0,0|2,0,2]=4 99 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,0|2,0,1]=3 100 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,0|3,0,1]=4 101 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,0|3,0,1]=4 102 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,0|2,0,1]=3 103 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,0|3,0,1]=4 104 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,0,0|3,0,1]=4 105 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 107 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,0,0,0,0,0|2,0,1]=4 109 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,0,0,0,0,0|2,0,1]=4 110 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,0,0,0,0,0|3,0,0]=4 111 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,0,0,0,0|1,0,1]=3 112 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,0,0,0,0|1,0,1]=3 113 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,0,0,0,0|1,0,1]=3 114 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [1,0,0,0,0,0|2,0,1]=4 117 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,0,0,0,0|1,0,1]=3 118 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,0,0,0,0|1,0,1]=3 119 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [1,0,0,0,0,0|2,0,1]=4 121 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [1,0,0,0,0,0|2,0,1]=4 122 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [1,0,0,0,0,0|2,0,1]=4 124 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,0,0,0,0,0|1,0,2]=4 126 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,0,0,0,0,0|1,0,2]=4 127 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,0,0,0,0,0|1,0,2]=4 128 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,0,0,0,0,0|1,0,2]=4 129 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,0,0,0,0,0|1,0,2]=4 130 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,1,0,0,0,0|1,0,2]=4 131 B12R1.21 CC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200000210301 [0,1,0,0,0,0|1,0,0]=2 132 B12R1.21 CC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200000210301 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.21 CC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200000210301 [0,1,0,0,0,0|1,0,0]=2 134 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [0,1,0,0,0,0|1,0,2]=4 135 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [0,1,0,0,0,0|1,0,2]=4 136 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [0,1,0,0,0,0|1,0,2]=4 137 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [0,1,0,0,0,0|1,0,2]=4 138 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [0,1,0,0,0,0|1,0,2]=4 139 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,1,0,0,0,0|1,0,2]=4 140 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,1,0,0,0,0|1,0,2]=4 141 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,1,0,0,0,0|1,0,2]=4 142 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,1,0,0,0,0|1,0,2]=4 143 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,1,0,0,0,0|1,0,2]=4 144 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,1,0,0,0,0|1,0,2]=4 145 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,1,0,0,0,0|1,0,2]=4 146 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,1,0,0,0,0|1,0,2]=4 147 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,1,0,0,0,0|1,0,2]=4 148 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,1,0,0,0,0|1,0,2]=4 149 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,1,0,0,0,0|1,0,2]=4 150 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,1,0,0,0,0|1,0,2]=4 151 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,1,0,0,0,0|2,0,1]=4 152 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,1,0,0,0,0|2,0,1]=4 155 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,1,0,0,0,0|2,0,1]=4 156 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,1,0,0,0,0|2,0,1]=4 157 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,1,0,0,0,0|2,0,1]=4 158 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,1,0,0,0,0|2,0,1]=4 159 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,1,0,0,0,0|2,0,1]=4 164 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,1,0,0,0,0|2,0,1]=4 165 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,1,0,0,0,0|2,0,1]=4 169 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,1,0,0,0,0|2,0,1]=4 177 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,1,0,0,0,0|2,0,1]=4 178 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,1,0,0,0,0|2,0,1]=4 184 B12R1.21 CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000070787 [0,1,0,0,0,0|3,0,0]=4 185 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.21 CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000070787 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.21 CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000070787 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.21 CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000070787 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [0,1,0,0,0,0|1,0,2]=4 191 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,1,0,0,0,0|1,0,2]=4 192 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,1,0,0,0,0|2,0,1]=4 193 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,1,0,0,0,0|1,0,2]=4 194 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,1,0,0,0,0|2,0,1]=4 195 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,1,0,0,0,0|2,0,1]=4 196 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,1,0,0,0,0|2,0,1]=4 197 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,1,0,0,0,0|1,0,2]=4 198 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,1,0,0,0,0|2,0,1]=4 200 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,1,0,0,0,0|2,0,1]=4 201 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,1,0,0,0,0|1,0,2]=4 202 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,1,0,0,0,0|1,0,2]=4 203 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,1,0,0,0,0|1,0,2]=4 204 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,1,0,0,0,0|2,0,1]=4 205 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,1,0,0,0,0|2,0,1]=4 206 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,1,0,0,0,0|2,0,1]=4 207 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,1,0,0,0,0|2,0,1]=4 210 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,1,0,0,0,0|2,0,1]=4 212 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,1,0,0,0,0|2,0,1]=4 214 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,1,0,0,0,0|2,0,1]=4 215 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,1,0,0,0,0|2,0,1]=4 216 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,1,0,0,0,0|2,0,1]=4 217 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,1,0,0,0,0|2,0,1]=4 218 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,1,0,0,0,0|2,0,1]=4 219 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,1,0,0,0,0|2,0,1]=4 220 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,1,0,0,0,0|2,0,1]=4 221 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,1,0,0,0,0|2,0,1]=4 222 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,1,0,0,0,0|2,0,1]=4 223 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,1,0,0,0,0|2,0,1]=4 225 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,1,0,0,0,0|2,0,1]=4 226 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,1,0,0,0,0|2,0,1]=4 227 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,1,0,0,0,0|2,0,1]=4 228 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,1,0,0,0,0|2,0,1]=4 229 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,1,0,0,0,0|1,0,2]=4 230 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,1,0,0,0,0|1,0,2]=4 231 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,1,0,0,0,0|1,0,2]=4 232 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,1,0,0,0,0|1,0,2]=4 233 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,1,0,0,0,0|1,0,2]=4 234 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,1,0,0,0,0|1,0,2]=4 235 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,1,0,0,0,0|1,0,2]=4 236 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,1,0,0,0,0|1,0,2]=4 237 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,1,0,0,0,0|1,0,2]=4 238 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,1,0,0,0,0|1,0,2]=4 239 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,1,0,0,0,0|1,0,2]=4 240 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,1,0,0,0,0|1,0,2]=4 241 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,1,0,0,0,0|1,0,2]=4 242 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,1,0,0,0,0|1,0,2]=4 243 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,1,0,0,0,0|1,0,2]=4 244 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,1,0,0,0,0|1,0,2]=4 245 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,1,0,0,0,0|1,0,2]=4 246 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,1,0,0,0,0|1,0,2]=4 247 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,1,0,0,0,0|1,0,2]=4 248 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200025704644 [0,1,0,0,0,0|1,0,0]=2 249 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200025704644 [0,1,0,0,0,0|1,0,0]=2 250 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200025704644 [0,1,0,0,0,0|1,0,0]=2 251 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [0,1,0,0,0,0|1,0,2]=4 252 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [0,1,0,0,0,0|1,0,2]=4 253 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [0,1,0,0,0,0|1,0,2]=4 254 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [0,1,0,0,0,0|1,0,2]=4 255 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,1,0,0,0,0|1,0,2]=4 256 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,1,0,0,0,0|1,0,2]=4 257 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,1,0,0,0,0|1,0,2]=4 258 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,1,0,0,0,0|1,0,2]=4 259 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,1,0,0,0,0|1,0,2]=4 260 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,1,0,0,0,0|2,0,1]=4 261 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,1,0,0,0,0|2,0,1]=4 262 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,1,0,0,0,0|2,0,1]=4 264 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,1,0,0,0,0|2,0,1]=4 266 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,1,0,0,0,0|2,0,1]=4 267 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,1,0,0,0,0|2,0,1]=4 268 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,1,0,0,0,0|1,0,2]=4 269 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,1,0,0,0,0|1,0,2]=4 270 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,1,0,0,0,0|2,0,1]=4 271 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,1,0,0,0,0|2,0,1]=4 272 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.27 CC(=NNc1ccccc1)CO 4a_100015195140_100000211253 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 34a_200000065209_200025704644 [0,1,0,0,0,0|1,0,1]=3 275 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 7a_200000065209_200025704644 [0,1,0,0,0,0|1,0,1]=3 276 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [0,1,0,0,0,0|1,0,0]=2 277 B12R1.27 CCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210202 [0,1,0,0,0,0|2,0,0]=3 278 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,1,0,0,0,0|1,0,2]=4 279 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,1,0,0,0,0|1,0,2]=4 280 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,1,0,0,0,0|1,0,2]=4 281 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,1,0,0,0,0|2,0,1]=4 282 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,1,0,0,0,0|2,0,1]=4 283 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,1,0,0,0,0|2,0,1]=4 284 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,1,0,0,0,0|2,0,1]=4 285 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,1,0,0,0,0|2,0,1]=4 286 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 287 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 288 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 289 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,1,0,0,0,0|2,0,1]=4 290 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,1,0,0,0,0|1,0,0]=2 292 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,1,0,0,0,0|1,0,2]=4 293 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,1,0,0,0,0|1,0,2]=4 294 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,1,0,0,0,0|1,0,2]=4 295 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,1,0,0,0,0|1,0,2]=4 296 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,1,0,0,0,0|1,0,2]=4 297 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,1,0,0,0,0|1,0,2]=4 298 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,1,0,0,0,0|2,0,1]=4 299 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,1,0,0,0,0|2,0,1]=4 300 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,1,0,0,0,0|2,0,1]=4 301 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,1,0,0,0,0|2,0,1]=4 302 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,1,0,0,0,0|2,0,1]=4 303 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,1,0,0,0,0|2,0,1]=4 304 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,1,0,0,0,0|2,0,1]=4 305 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,1,0,0,0,0|2,0,1]=4 306 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,1,0,0,0,0|2,0,1]=4 307 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,1,0,0,0,0|2,0,1]=4 308 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,1,0,0,0,0|2,0,1]=4 309 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,1,0,0,0,0|2,0,1]=4 310 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,1,0,0,0,0|2,0,1]=4 311 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,1,0,0,0,0|2,0,1]=4 312 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,1,0,0,0,0|2,0,1]=4 313 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,1,0,0,0,0|2,0,1]=4 314 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,1,0,0,0,0|2,0,1]=4 315 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,1,0,0,0,0|2,0,1]=4 316 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,1,0,0,0,0|2,0,1]=4 317 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,1,0,0,0,0|3,0,0]=4 318 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,1,0,0,0,0|3,0,0]=4 319 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,1,0,0,0,0|1,0,1]=3 320 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,1,0,0,0,0|1,0,1]=3 321 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,1,0,0,0,0|1,0,1]=3 322 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,1,0,0,0,0|2,0,1]=4 323 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,1,0,0,0,0|2,0,1]=4 324 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [0,1,0,0,0,0|2,0,1]=4 325 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,1,0,0,0,0|1,0,1]=3 326 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,1,0,0,0,0|1,0,1]=3 327 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,1,0,0,0,0|2,0,1]=4 328 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,1,0,0,0,0|2,0,1]=4 329 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [0,1,0,0,0,0|2,0,1]=4 330 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [0,1,0,0,0,0|2,0,1]=4 331 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [0,1,0,0,0,0|2,0,1]=4 332 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [0,1,0,0,0,0|2,0,1]=4 333 B12R1.27 COC(C)C#Cc1ccccc1 34a_200000065209_200000210301 [0,1,0,0,0,0|1,0,1]=3 334 B12R1.27 COC(C)C#Cc1ccccc1 7a_200000065209_200000210301 [0,1,0,0,0,0|1,0,1]=3 335 B12R1.27 O=C(C#Cc1ccccc1)CF 1458a_100000736102_100015361967 [0,1,0,0,0,0|1,0,0]=2 336 B12R1.27 O=C(C#Cc1ccccn1)CF 1458a_102125277312_100015361967 [0,1,0,0,0,0|2,0,0]=3 337 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,1,0,0,0,0|1,0,2]=4 338 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,1,0,0,0,0|1,0,2]=4 339 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,1,0,0,0,0|2,0,1]=4 340 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,1,0,0,0,0|2,0,1]=4 341 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,1,0,0,0,0|0,0,2]=3 342 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,1,0,0,0,0|1,0,2]=4 343 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,1,0,0,0,0|1,0,2]=4 344 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,1,0,0,0,0|1,0,2]=4 345 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,1,0,0,0,0|1,0,1]=3 346 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,1,0,0,0,0|1,0,1]=3 347 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,1,0,0,0,0|2,0,1]=4 348 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,1,0,0,0,0|2,0,1]=4 349 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,1,0,0,0,0|2,0,1]=4 350 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,1,0,0,0,0|2,0,1]=4 351 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [0,1,0,0,0,0|2,0,1]=4 352 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [0,1,0,0,0,0|2,0,1]=4 353 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,1,0,0,0,0|2,0,0]=3 354 B12R1.27 O=C(CO)NNc1ccccn1 22a_100000183288_100000210174 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.27 O=C(CO)NNc1cccnc1 22a_100000728903_100000210174 [0,1,0,0,0,0|3,0,0]=4 356 B12R1.27 O=C(CO)NNc1ccncc1 22a_100000698918_100000210174 [0,1,0,0,0,0|3,0,0]=4 357 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,0,0,0,0|1,0,2]=4 358 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,0,0,0,0|1,0,2]=4 359 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,1,0,0,0,0|1,0,2]=4 360 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,1,0,0,0,0|1,0,2]=4 361 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,0,0,0,0|2,0,1]=4 362 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,0,0|1,0,2]=4 363 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,0,0|1,0,2]=4 364 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,0,0,0,0|2,0,1]=4 365 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,0,0,0,0|2,0,1]=4 366 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,1,0,0,0,0|2,0,1]=4 367 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,1,0,0,0,0|2,0,1]=4 368 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,1,0,0,0,0|2,0,1]=4 369 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,0,0|2,0,1]=4 370 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,0,0|2,0,1]=4 371 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,0,0|2,0,1]=4 372 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,0,0|2,0,1]=4 373 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,0|1,0,2]=4 374 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,0,0|1,0,2]=4 375 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,1,0,0,0,0|2,0,1]=4 376 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,1,0,0,0,0|2,0,1]=4 377 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,1,0,0,0,0|2,0,1]=4 378 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,0,0,0,0|2,0,1]=4 379 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,1,0,0,0,0|2,0,1]=4 380 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,1,0,0,0,0|2,0,1]=4 381 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,1,0,0,0,0|2,0,1]=4 382 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,1,0,0,0,0|2,0,1]=4 383 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,1,0,0,0,0|2,0,1]=4 384 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,1,0,0,0,0|2,0,1]=4 385 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,1,0,0,0,0|2,0,1]=4 386 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,1,0,0,0,0|2,0,1]=4 387 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,1,0,0,0,0|2,0,1]=4 388 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,1,0,0,0,0|1,0,2]=4 389 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,1,0,0,0,0|1,0,2]=4 390 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,1,0,0,0,0|1,0,2]=4 391 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,1,0,0,0,0|1,0,2]=4 392 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,1,0,0,0,0|1,0,2]=4 393 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,1,0,0,0,0|1,0,2]=4 394 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,0,0,0,0|2,0,1]=4 395 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,0|1,0,2]=4 396 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,1,0,0,0,0|1,0,2]=4 397 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,1,0,0,0,0|1,0,2]=4 398 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,1,0,0,0,0|1,0,2]=4 399 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,1,0,0,0,0|1,0,2]=4 400 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,1,0,0,0,0|1,0,2]=4 401 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,1,0,0,0,0|1,0,2]=4 402 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,1,0,0,0,0|1,0,2]=4 403 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,1,0,0,0,0|2,0,1]=4 404 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,1,0,0,0,0|1,0,2]=4 405 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,1,0,0,0,0|2,0,1]=4 406 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,1,0,0,0,0|2,0,1]=4 407 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,1,0,0,0,0|2,0,1]=4 408 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,1,0,0,0,0|2,0,1]=4 409 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,1,0,0,0,0|1,0,2]=4 410 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,1,0,0,0,0|2,0,1]=4 411 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,1,0,0,0,0|2,0,1]=4 412 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,1,0,0,0,0|2,0,1]=4 413 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,1,0,0,0,0|2,0,1]=4 414 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,1,0,0,0,0|2,0,1]=4 415 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,1,0,0,0,0|1,0,1]=3 416 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,1,0,0,0,0|2,0,1]=4 417 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,1,0,0,0,0|1,0,2]=4 418 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,1,0,0,0,0|1,0,2]=4 419 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,1,0,0,0,0|1,0,2]=4 420 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,1,0,0,0,0|0,0,3]=4 421 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,1,0,0,0,0|1,0,2]=4 422 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,1,0,0,0,0|2,0,1]=4 423 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,1,0,0,0,0|2,0,1]=4 424 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,1,0,0,0,0|1,0,1]=3 425 B12R1.125 CC(=O)C#Cc1ccccc1F 1458a_100011892747_200000210301 [0,1,0,0,0,0|1,0,0]=2 426 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,1,0,0,0,0|1,0,2]=4 427 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,1,0,0,0,0|1,0,2]=4 428 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,1,0,0,0,0|1,0,2]=4 429 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,1,0,0,0,0|1,0,2]=4 430 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,1,0,0,0,0|1,0,2]=4 431 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,1,0,0,0,0|1,0,2]=4 432 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,1,0,0,0,0|1,0,2]=4 433 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,1,0,0,0,0|1,0,2]=4 434 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,1,0,0,0,0|1,0,2]=4 435 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,1,0,0,0,0|1,0,2]=4 436 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,1,0,0,0,0|1,0,2]=4 437 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,1,0,0,0,0|1,0,2]=4 438 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,1,0,0,0,0|1,0,2]=4 439 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,1,0,0,0,0|1,0,2]=4 440 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,1,0,0,0,0|1,0,2]=4 441 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,1,0,0,0,0|2,0,1]=4 442 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,1,0,0,0,0|2,0,1]=4 443 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,1,0,0,0,0|2,0,1]=4 444 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,1,0,0,0,0|2,0,1]=4 445 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,1,0,0,0,0|2,0,1]=4 446 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,1,0,0,0,0|2,0,1]=4 447 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,1,0,0,0,0|2,0,1]=4 448 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,1,0,0,0,0|2,0,1]=4 449 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,1,0,0,0,0|2,0,1]=4 450 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,1,0,0,0,0|2,0,1]=4 451 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,1,0,0,0,0|2,0,1]=4 452 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,1,0,0,0,0|2,0,1]=4 453 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,1,0,0,0,0|2,0,1]=4 454 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,1,0,0,0,0|2,0,1]=4 455 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,1,0,0,0,0|2,0,1]=4 456 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,1,0,0,0,0|2,0,1]=4 457 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,1,0,0,0,0|2,0,1]=4 458 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,1,0,0,0,0|2,0,1]=4 459 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,1,0,0,0,0|2,0,1]=4 460 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,1,0,0,0,0|2,0,1]=4 461 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,1,0,0,0,0|2,0,1]=4 462 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,1,0,0,0,0|2,0,1]=4 463 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,1,0,0,0,0|2,0,1]=4 464 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,1,0,0,0,0|2,0,1]=4 465 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,1,0,0,0,0|2,0,1]=4 466 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,1,0,0,0,0|2,0,1]=4 467 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,1,0,0,0,0|2,0,1]=4 468 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,1,0,0,0,0|2,0,1]=4 469 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,1,0,0,0,0|2,0,1]=4 470 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,1,0,0,0,0|2,0,1]=4 471 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,1,0,0,0,0|2,0,1]=4 472 B12R1.125 CC(=O)NNc1ccccc1Br 22a_100000241748_100000070787 [0,1,0,0,0,0|3,0,0]=4 473 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.125 CC(=O)NNc1ccccc1Cl 22a_100000683529_100000070787 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.125 CC(=O)NNc1ccccc1F 22a_100000239246_100000070787 [0,1,0,0,0,0|3,0,0]=4 476 B12R1.125 CC(=O)NNc1ccccc1I 22a_100011218156_100000070787 [0,1,0,0,0,0|3,0,0]=4 477 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,1,0,0,0,0|1,0,2]=4 478 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,1,0,0,0,0|2,0,1]=4 479 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,1,0,0,0,0|1,0,2]=4 480 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,1,0,0,0,0|2,0,1]=4 481 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,1,0,0,0,0|2,0,1]=4 482 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,1,0,0,0,0|2,0,1]=4 483 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,1,0,0,0,0|1,0,2]=4 484 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,1,0,0,0,0|2,0,1]=4 485 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,1,0,0,0,0|2,0,1]=4 486 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,1,0,0,0,0|2,0,1]=4 487 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,1,0,0,0,0|1,0,2]=4 488 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,1,0,0,0,0|1,0,2]=4 489 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,1,0,0,0,0|1,0,2]=4 490 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,1,0,0,0,0|2,0,1]=4 491 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,1,0,0,0,0|2,0,1]=4 492 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,1,0,0,0,0|2,0,1]=4 493 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,1,0,0,0,0|2,0,1]=4 494 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,1,0,0,0,0|2,0,1]=4 495 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,1,0,0,0,0|2,0,1]=4 496 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,1,0,0,0,0|2,0,1]=4 497 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,1,0,0,0,0|2,0,1]=4 498 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,1,0,0,0,0|2,0,1]=4 499 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,1,0,0,0,0|2,0,1]=4 500 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,1,0,0,0,0|2,0,1]=4 501 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,1,0,0,0,0|2,0,1]=4 502 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,1,0,0,0,0|2,0,1]=4 503 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,1,0,0,0,0|2,0,1]=4 504 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,1,0,0,0,0|2,0,1]=4 505 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,1,0,0,0,0|2,0,1]=4 506 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,1,0,0,0,0|2,0,1]=4 507 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,1,0,0,0,0|2,0,1]=4 508 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,1,0,0,0,0|2,0,1]=4 509 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,1,0,0,0,0|2,0,1]=4 510 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,1,0,0,0,0|2,0,1]=4 511 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,1,0,0,0,0|2,0,1]=4 512 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,1,0,0,0,0|2,0,1]=4 513 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,1,0,0,0,0|2,0,1]=4 514 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,1,0,0,0,0|2,0,1]=4 515 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,1,0,0,0,0|2,0,1]=4 516 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,1,0,0,0,0|1,0,2]=4 517 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,1,0,0,0,0|1,0,2]=4 518 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,1,0,0,0,0|1,0,2]=4 519 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,1,0,0,0,0|1,0,2]=4 520 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,1,0,0,0,0|1,0,2]=4 521 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,1,0,0,0,0|1,0,2]=4 522 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,1,0,0,0,0|1,0,2]=4 523 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,1,0,0,0,0|1,0,2]=4 524 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,1,0,0,0,0|1,0,2]=4 525 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,1,0,0,0,0|1,0,2]=4 526 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,1,0,0,0,0|1,0,2]=4 527 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,1,0,0,0,0|1,0,2]=4 528 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,1,0,0,0,0|1,0,2]=4 529 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,1,0,0,0,0|1,0,2]=4 530 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,1,0,0,0,0|1,0,2]=4 531 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,1,0,0,0,0|1,0,2]=4 532 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,1,0,0,0,0|1,0,2]=4 533 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,1,0,0,0,0|1,0,2]=4 534 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,1,0,0,0,0|1,0,2]=4 535 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,1,0,0,0,0|1,0,2]=4 536 B12R1.125 [13CH3]C(=O)C#Cc1ccccc1F 1458a_100011892747_200025704644 [0,1,0,0,0,0|1,0,0]=2 537 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,1,0,0,0,0|1,0,2]=4 538 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,1,0,0,0,0|1,0,2]=4 539 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,1,0,0,0,0|1,0,2]=4 540 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,1,0,0,0,0|1,0,2]=4 541 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,1,0,0,0,0|1,0,2]=4 542 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,1,0,0,0,0|1,0,2]=4 543 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,1,0,0,0,0|1,0,2]=4 544 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,1,0,0,0,0|1,0,2]=4 545 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,1,0,0,0,0|1,0,2]=4 546 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,1,0,0,0,0|2,0,1]=4 547 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,1,0,0,0,0|2,0,1]=4 548 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,1,0,0,0,0|2,0,1]=4 549 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,1,0,0,0,0|2,0,1]=4 550 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,1,0,0,0,0|2,0,1]=4 551 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,1,0,0,0,0|2,0,1]=4 552 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [0,1,0,0,0,0|1,0,2]=4 553 B12R1.226 CC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200000210301 [0,1,0,0,0,0|1,0,0]=2 554 B12R1.226 CC(=O)C#Cc1cccc(c1)C 1458a_100011892726_200000210301 [0,1,0,0,0,0|1,0,0]=2 555 B12R1.226 CC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200000210301 [0,1,0,0,0,0|1,0,0]=2 556 B12R1.226 CC(=O)C#Cc1cccc(c1)F 1458a_100011892744_200000210301 [0,1,0,0,0,0|1,0,0]=2 557 B12R1.226 CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_200000210301 [0,1,0,0,0,0|1,0,0]=2 558 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [0,1,0,0,0,0|1,0,2]=4 559 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,1,0,0,0,0|1,0,2]=4 560 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [0,1,0,0,0,0|1,0,2]=4 561 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [0,1,0,0,0,0|1,0,2]=4 562 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [0,1,0,0,0,0|1,0,2]=4 563 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,1,0,0,0,0|1,0,2]=4 564 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,1,0,0,0,0|1,0,2]=4 565 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,1,0,0,0,0|1,0,2]=4 566 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,1,0,0,0,0|1,0,2]=4 567 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,1,0,0,0,0|1,0,2]=4 568 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,1,0,0,0,0|1,0,2]=4 569 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,1,0,0,0,0|1,0,2]=4 570 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,1,0,0,0,0|1,0,2]=4 571 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,1,0,0,0,0|1,0,2]=4 572 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,1,0,0,0,0|1,0,2]=4 573 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,1,0,0,0,0|1,0,2]=4 574 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,1,0,0,0,0|2,0,1]=4 575 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,1,0,0,0,0|2,0,1]=4 576 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,1,0,0,0,0|2,0,1]=4 577 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,1,0,0,0,0|2,0,1]=4 578 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,1,0,0,0,0|2,0,1]=4 579 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [0,1,0,0,0,0|2,0,1]=4 580 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [0,1,0,0,0,0|2,0,1]=4 581 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [0,1,0,0,0,0|2,0,1]=4 582 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [0,1,0,0,0,0|2,0,1]=4 583 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,1,0,0,0,0|2,0,1]=4 584 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,1,0,0,0,0|2,0,1]=4 585 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,1,0,0,0,0|2,0,1]=4 586 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,1,0,0,0,0|2,0,1]=4 587 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [0,1,0,0,0,0|2,0,1]=4 588 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [0,1,0,0,0,0|2,0,1]=4 589 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [0,1,0,0,0,0|2,0,1]=4 590 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [0,1,0,0,0,0|2,0,1]=4 591 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [0,1,0,0,0,0|2,0,1]=4 592 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [0,1,0,0,0,0|2,0,1]=4 593 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [0,1,0,0,0,0|2,0,1]=4 594 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [0,1,0,0,0,0|2,0,1]=4 595 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [0,1,0,0,0,0|2,0,1]=4 596 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [0,1,0,0,0,0|2,0,1]=4 597 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [0,1,0,0,0,0|2,0,1]=4 598 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [0,1,0,0,0,0|2,0,1]=4 599 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [0,1,0,0,0,0|2,0,1]=4 600 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [0,1,0,0,0,0|2,0,1]=4 601 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [0,1,0,0,0,0|2,0,1]=4 602 B12R1.226 CC(=O)NNc1cccc(c1)Br 22a_100000217339_100000070787 [0,1,0,0,0,0|3,0,0]=4 603 B12R1.226 CC(=O)NNc1cccc(c1)C 22a_100000681630_100000070787 [0,1,0,0,0,0|3,0,0]=4 604 B12R1.226 CC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000070787 [0,1,0,0,0,0|3,0,0]=4 605 B12R1.226 CC(=O)NNc1cccc(c1)F 22a_100000745080_100000070787 [0,1,0,0,0,0|3,0,0]=4 606 B12R1.226 CC(=O)NNc1cccc(c1)I 22a_100020605690_100000070787 [0,1,0,0,0,0|3,0,0]=4 607 B12R1.226 Cc1cccc(c1)C#CC(=O)[13CH3] 1458a_100011892726_200025704644 [0,1,0,0,0,0|1,0,0]=2 608 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,1,0,0,0,0|1,0,2]=4 609 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,1,0,0,0,0|1,0,2]=4 610 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,1,0,0,0,0|2,0,1]=4 611 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,1,0,0,0,0|2,0,1]=4 612 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,1,0,0,0,0|1,0,2]=4 613 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,1,0,0,0,0|2,0,1]=4 614 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,1,0,0,0,0|2,0,1]=4 615 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,1,0,0,0,0|2,0,1]=4 616 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,1,0,0,0,0|1,0,2]=4 617 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,1,0,0,0,0|2,0,1]=4 618 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,1,0,0,0,0|2,0,1]=4 619 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,1,0,0,0,0|1,0,2]=4 620 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,1,0,0,0,0|1,0,2]=4 621 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,1,0,0,0,0|1,0,2]=4 622 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [0,1,0,0,0,0|2,0,1]=4 623 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [0,1,0,0,0,0|2,0,1]=4 624 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [0,1,0,0,0,0|2,0,1]=4 625 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [0,1,0,0,0,0|2,0,1]=4 626 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [0,1,0,0,0,0|2,0,1]=4 627 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,1,0,0,0,0|2,0,1]=4 628 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,1,0,0,0,0|2,0,1]=4 629 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,1,0,0,0,0|2,0,1]=4 630 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,1,0,0,0,0|2,0,1]=4 631 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,1,0,0,0,0|2,0,1]=4 632 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,1,0,0,0,0|2,0,1]=4 633 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,1,0,0,0,0|2,0,1]=4 634 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,1,0,0,0,0|2,0,1]=4 635 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,1,0,0,0,0|2,0,1]=4 636 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,1,0,0,0,0|2,0,1]=4 637 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [0,1,0,0,0,0|2,0,1]=4 638 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [0,1,0,0,0,0|2,0,1]=4 639 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [0,1,0,0,0,0|2,0,1]=4 640 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [0,1,0,0,0,0|2,0,1]=4 641 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [0,1,0,0,0,0|2,0,1]=4 642 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [0,1,0,0,0,0|2,0,1]=4 643 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [0,1,0,0,0,0|2,0,1]=4 644 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [0,1,0,0,0,0|2,0,1]=4 645 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [0,1,0,0,0,0|2,0,1]=4 646 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [0,1,0,0,0,0|2,0,1]=4 647 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [0,1,0,0,0,0|2,0,1]=4 648 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,1,0,0,0,0|1,0,2]=4 649 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,1,0,0,0,0|1,0,2]=4 650 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,1,0,0,0,0|1,0,2]=4 651 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,1,0,0,0,0|1,0,2]=4 652 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,1,0,0,0,0|1,0,2]=4 653 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,1,0,0,0,0|1,0,2]=4 654 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,1,0,0,0,0|1,0,2]=4 655 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,1,0,0,0,0|1,0,2]=4 656 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,1,0,0,0,0|1,0,2]=4 657 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,1,0,0,0,0|1,0,2]=4 658 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,1,0,0,0,0|1,0,2]=4 659 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,1,0,0,0,0|1,0,2]=4 660 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,1,0,0,0,0|1,0,2]=4 661 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,1,0,0,0,0|1,0,2]=4 662 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,1,0,0,0,0|1,0,2]=4 663 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,1,0,0,0,0|1,0,2]=4 664 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,1,0,0,0,0|1,0,2]=4 665 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,1,0,0,0,0|1,0,2]=4 666 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,1,0,0,0,0|1,0,2]=4 667 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,1,0,0,0,0|1,0,2]=4 668 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,1,0,0,0,0|1,0,2]=4 669 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200025704644 [0,1,0,0,0,0|1,0,0]=2 670 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200025704644 [0,1,0,0,0,0|1,0,0]=2 671 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)F 1458a_100011892744_200025704644 [0,1,0,0,0,0|1,0,0]=2 672 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)O 1458a_200009909484_200025704644 [0,1,0,0,0,0|1,0,0]=2 673 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [0,1,0,0,0,0|1,0,2]=4 674 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [0,1,0,0,0,0|1,0,2]=4 675 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [0,1,0,0,0,0|1,0,2]=4 676 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [0,1,0,0,0,0|1,0,2]=4 677 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,1,0,0,0,0|1,0,2]=4 678 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,1,0,0,0,0|1,0,2]=4 679 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,1,0,0,0,0|1,0,2]=4 680 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,1,0,0,0,0|1,0,2]=4 681 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,1,0,0,0,0|1,0,2]=4 682 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,1,0,0,0,0|2,0,1]=4 683 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,1,0,0,0,0|2,0,1]=4 684 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,1,0,0,0,0|2,0,1]=4 685 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,1,0,0,0,0|2,0,1]=4 686 B12R1.891 C[Si](C)(C)C#Cc1ccccc1 271570a_100010171944_100000210277 [0,1,0,0,0,0|2,1,0]=4 687 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [0,0,0,1,0,0|2,0,1]=4 688 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [0,0,0,1,0,0|1,0,2]=4 689 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [0,0,0,1,0,0|1,0,2]=4 690 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [0,0,0,1,0,0|2,0,1]=4 691 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [0,0,0,1,0,0|2,0,1]=4 692 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [0,0,0,1,0,0|2,0,1]=4 693 B12R2.2057 C(#CC1CC1)c2ccccc2 271570a_200009880635_100000210277 [0,0,0,1,0,0|2,0,1]=4 694 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,0|1,0,2]=4 695 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,0|1,0,2]=4 696 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,0,0,1,0|2,0,1]=4 697 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,1,0|2,0,1]=4 698 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,1,0|1,0,1]=3 699 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,1,0|2,0,1]=4 700 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,1,0|2,0,1]=4 701 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,1,0|2,0,1]=4 702 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,1,0|2,0,1]=4 703 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,1,0|2,0,1]=4 704 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,1,0|2,0,0]=3 705 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,1,0|2,0,0]=3 706 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,1,0|2,0,0]=3 707 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,1,0|2,0,0]=3 708 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,1,0|2,0,1]=4 709 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,1,0|2,0,1]=4 710 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,1,0|2,0,1]=4 711 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,0,0,0,0,1|1,0,2]=4 712 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,0,0,0,0,1|1,0,2]=4 713 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [0,0,0,0,0,1|1,0,2]=4 714 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [0,0,0,0,0,1|1,0,0]=2 715 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,0,0,0,1|1,0,2]=4 716 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,0,0,0,1|1,0,2]=4 717 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,0,0,0,0,1|1,0,2]=4 718 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,0,0,0,0,1|1,0,2]=4 719 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,0,0,0,0,1|1,0,2]=4 720 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,0,0,0,0,1|1,0,2]=4 721 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,0,0,0,0,1|1,0,2]=4 722 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,0,0,0,0,1|1,0,2]=4 723 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,0,0,0,0,1|1,0,2]=4 724 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,0,0,0,0,1|1,0,2]=4 725 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,0,0,0,0,1|1,0,2]=4 726 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,0,0,0,0,1|1,0,2]=4 727 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,0,0,0,0,1|1,0,2]=4 728 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,0,0,0,1|1,0,2]=4 729 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,0,0,0,1|1,0,2]=4 730 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,0,0,0,1|1,0,2]=4 731 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,0,0,0,1|1,0,2]=4 732 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [0,0,0,0,0,1|2,0,1]=4 733 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,0,0,0,0,1|2,0,1]=4 734 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,0,0,0,0,1|2,0,1]=4 735 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,0,0,0,0,1|2,0,1]=4 736 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,0,0,0,0,1|2,0,1]=4 737 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,0,0,0,0,1|2,0,1]=4 738 B12R1.252 CN(C)CC#Cc1ccccc1 2230a_100102631434_100011352542 [0,0,0,0,0,1|3,0,0]=4 739 B12R1.252 CN(C)CC#Cc1ccccc1 269982a_100102631434_100011352542 [0,0,0,0,0,1|3,0,0]=4 740 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,0,0,0,0,1|1,0,2]=4 741 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,0,0,0,0,1|1,0,2]=4 742 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,0,0,0,0,1|1,0,2]=4 743 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,0,0,0,0,1|1,0,2]=4 744 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,0,0,0,0,1|1,0,2]=4 745 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,0,0,0,0,1|1,0,2]=4 746 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,0,0,0,0,1|1,0,2]=4 747 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,0,0,0,0,1|1,0,2]=4 748 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,0,0,0,1|1,0,2]=4 749 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,0,0,0,1|1,0,2]=4 750 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,0,0,0,0,1|1,0,2]=4 751 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,0,0,0,0,1|1,0,2]=4 752 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,0,0,0,1|0,0,2]=3 753 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,0,0,0,0,1|1,0,2]=4 754 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [0,0,0,0,0,1|1,0,2]=4 755 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [0,0,0,0,0,1|1,0,2]=4 756 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,0,0,0,0,1|0,0,3]=4 757 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,0,0,0,0,1|0,0,3]=4 758 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,0,0,0,0,1|0,0,3]=4 759 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,0,0,0,0,1|0,0,3]=4 760 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,0,0,0,0,1|1,0,2]=4 761 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [0,0,0,0,0,1|1,0,2]=4 762 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,0,0,0,1|1,0,2]=4 763 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,0,0,0,0,1|1,0,2]=4 764 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,0,0,0,0,1|1,0,2]=4 765 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,0,0,0,0,1|1,0,2]=4 766 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,0,0,0,0,1|1,0,2]=4 767 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [2,0,0,0,0,0|0,0,2]=4 768 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|1,0,1]=4 769 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [1,1,0,0,0,0|1,0,1]=4 770 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [1,1,0,0,0,0|1,0,1]=4 771 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [1,1,0,0,0,0|1,0,1]=4 772 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [1,1,0,0,0,0|1,0,1]=4 773 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [1,1,0,0,0,0|1,0,1]=4 774 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [1,1,0,0,0,0|1,0,1]=4 775 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [1,1,0,0,0,0|1,0,1]=4 776 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [1,1,0,0,0,0|1,0,1]=4 777 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|0,0,2]=4 778 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [1,1,0,0,0,0|1,0,1]=4 779 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [1,1,0,0,0,0|1,0,1]=4 780 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [1,1,0,0,0,0|1,0,1]=4 781 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [1,1,0,0,0,0|1,0,1]=4 782 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [1,1,0,0,0,0|1,0,1]=4 783 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [1,1,0,0,0,0|1,0,1]=4 784 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [1,1,0,0,0,0|1,0,1]=4 785 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [1,1,0,0,0,0|1,0,1]=4 786 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [1,1,0,0,0,0|1,0,1]=4 787 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [1,1,0,0,0,0|1,0,1]=4 788 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [1,1,0,0,0,0|1,0,1]=4 789 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [1,1,0,0,0,0|1,0,1]=4 790 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [1,1,0,0,0,0|1,0,1]=4 791 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [1,1,0,0,0,0|1,0,1]=4 792 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [1,1,0,0,0,0|1,0,1]=4 793 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [1,1,0,0,0,0|1,0,1]=4 794 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [1,1,0,0,0,0|1,0,1]=4 795 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [1,1,0,0,0,0|1,0,1]=4 796 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [1,1,0,0,0,0|1,0,1]=4 797 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [1,1,0,0,0,0|1,0,1]=4 798 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [1,1,0,0,0,0|1,0,1]=4 799 B11R1.1 OCC#Cc1ccc(cc1)O 271570a_203496583355_100009814260 [1,1,0,0,0,0|0,0,1]=3 800 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [1,1,0,0,0,0|1,0,1]=4 801 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [1,1,0,0,0,0|1,0,1]=4 802 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [1,1,0,0,0,0|1,0,1]=4 803 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [1,1,0,0,0,0|1,0,1]=4 804 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [1,1,0,0,0,0|1,0,1]=4 805 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [1,1,0,0,0,0|1,0,1]=4 806 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [1,1,0,0,0,0|1,0,1]=4 807 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [1,1,0,0,0,0|1,0,1]=4 808 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [1,1,0,0,0,0|1,0,1]=4 809 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [1,1,0,0,0,0|1,0,1]=4 810 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [1,1,0,0,0,0|1,0,1]=4 811 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [1,1,0,0,0,0|1,0,1]=4 812 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,1,0,0,0,0|0,0,2]=4 813 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [1,1,0,0,0,0|1,0,1]=4 814 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [1,1,0,0,0,0|1,0,1]=4 815 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [1,1,0,0,0,0|1,0,1]=4 816 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [1,1,0,0,0,0|1,0,1]=4 817 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [1,1,0,0,0,0|1,0,1]=4 818 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [1,1,0,0,0,0|1,0,1]=4 819 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [1,1,0,0,0,0|1,0,1]=4 820 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [1,1,0,0,0,0|1,0,1]=4 821 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [1,1,0,0,0,0|1,0,1]=4 822 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [1,1,0,0,0,0|1,0,1]=4 823 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [1,1,0,0,0,0|1,0,1]=4 824 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [1,1,0,0,0,0|1,0,1]=4 825 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [1,1,0,0,0,0|1,0,1]=4 826 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [1,1,0,0,0,0|1,0,1]=4 827 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [1,1,0,0,0,0|1,0,1]=4 828 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [1,1,0,0,0,0|1,0,1]=4 829 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [1,1,0,0,0,0|1,0,1]=4 830 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [1,1,0,0,0,0|1,0,1]=4 831 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [1,1,0,0,0,0|1,0,1]=4 832 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [1,1,0,0,0,0|1,0,1]=4 833 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [1,1,0,0,0,0|1,0,1]=4 834 B11R1.17 OCC#Cc1ccccc1O 271570a_203496583355_100009814404 [1,1,0,0,0,0|0,0,1]=3 835 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [1,1,0,0,0,0|1,0,1]=4 836 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [1,1,0,0,0,0|1,0,1]=4 837 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [1,1,0,0,0,0|1,0,1]=4 838 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [1,1,0,0,0,0|1,0,1]=4 839 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [1,1,0,0,0,0|1,0,1]=4 840 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [1,1,0,0,0,0|1,0,1]=4 841 B11R1.24 Nc1cccc(c1)OCC=O 34a_100000210217_200009817547 [1,1,0,0,0,0|1,0,1]=4 842 B11R1.24 Nc1cccc(c1)SCC=O 62a_100000210019_200015260668 [1,1,0,0,0,0|1,0,1]=4 843 B11R1.24 Nc1cccc(c1)SCC=O 62a_200015260668_100000210019 [1,1,0,0,0,0|1,0,1]=4 844 B11R1.24 O=CCNc1cccc(c1)Br 34a_100000210019_200009817547 [1,1,0,0,0,0|1,0,1]=4 845 B11R1.24 O=CCNc1cccc(c1)Cl 34a_100000185859_200009817547 [1,1,0,0,0,0|1,0,1]=4 846 B11R1.24 O=CCNc1cccc(c1)F 34a_100000210047_200009817547 [1,1,0,0,0,0|1,0,1]=4 847 B11R1.24 O=CCNc1cccc(c1)I 34a_100000211102_200009817547 [1,1,0,0,0,0|1,0,1]=4 848 B11R1.24 O=CCNc1cccc(c1)O 34a_100000210217_200009817547 [1,1,0,0,0,0|1,0,1]=4 849 B11R1.24 O=CCOc1cccc(c1)Br 34a_100000210342_200009817547 [1,1,0,0,0,0|1,0,1]=4 850 B11R1.24 O=CCOc1cccc(c1)Br 7a_100000210342_200015260668 [1,1,0,0,0,0|1,0,1]=4 851 B11R1.24 O=CCOc1cccc(c1)Cl 34a_100000210295_200009817547 [1,1,0,0,0,0|1,0,1]=4 852 B11R1.24 O=CCOc1cccc(c1)Cl 7a_100000210295_200015260668 [1,1,0,0,0,0|1,0,1]=4 853 B11R1.24 O=CCOc1cccc(c1)F 34a_100000210426_200009817547 [1,1,0,0,0,0|1,0,1]=4 854 B11R1.24 O=CCOc1cccc(c1)F 7a_100000210426_200015260668 [1,1,0,0,0,0|1,0,1]=4 855 B11R1.24 O=CCOc1cccc(c1)I 34a_100000211634_200009817547 [1,1,0,0,0,0|1,0,1]=4 856 B11R1.24 O=CCOc1cccc(c1)I 7a_100000211634_200015260668 [1,1,0,0,0,0|1,0,1]=4 857 B11R1.24 O=CCSc1cccc(c1)Br 62a_100000691529_200015260668 [1,1,0,0,0,0|1,0,1]=4 858 B11R1.24 O=CCSc1cccc(c1)Br 62a_200015260668_100000691529 [1,1,0,0,0,0|1,0,1]=4 859 B11R1.24 O=CCSc1cccc(c1)Cl 62a_100000699651_200015260668 [1,1,0,0,0,0|1,0,1]=4 860 B11R1.24 O=CCSc1cccc(c1)Cl 62a_200015260668_100000699651 [1,1,0,0,0,0|1,0,1]=4 861 B11R1.24 O=CCSc1cccc(c1)F 62a_100000685547_200015260668 [1,1,0,0,0,0|1,0,1]=4 862 B11R1.24 O=CCSc1cccc(c1)F 62a_200015260668_100000685547 [1,1,0,0,0,0|1,0,1]=4 863 B11R1.24 O=CCSc1cccc(c1)O 62a_200015260668_100000211634 [1,1,0,0,0,0|1,0,1]=4 864 B11R1.24 O=CCSc1cccc(c1)[S] 62a_114929384022_200015260668 [1,1,0,0,0,0|1,0,1]=4 865 B11R1.24 O=CCSc1cccc(c1)[S] 62a_200015260668_114929384022 [1,1,0,0,0,0|1,0,1]=4 866 B11R1.24 OCC#Cc1cccc(c1)O 271570a_203496583355_100009814051 [1,1,0,0,0,0|0,0,1]=3 867 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [1,1,0,0,0,0|1,0,1]=4 868 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [1,1,0,0,0,0|1,0,1]=4 869 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [1,1,0,0,0,0|1,0,1]=4 870 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [1,1,0,0,0,0|1,0,1]=4 871 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [1,1,0,0,0,0|0,0,1]=3 872 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [1,1,0,0,0,0|0,0,1]=3 873 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [1,1,0,0,0,0|0,0,1]=3 874 B11R1.28 COCC#Cc1ccccn1 34a_100011894333_200000210301 [1,1,0,0,0,0|1,0,1]=4 875 B11R1.28 COCC#Cc1cccnc1 34a_100011376247_200000210301 [1,1,0,0,0,0|1,0,1]=4 876 B11R1.28 COCC#Cc1ccncc1 34a_100011894393_200000210301 [1,1,0,0,0,0|1,0,1]=4 877 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [1,1,0,0,0,0|0,1,1]=4 878 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,1,0,0,0,0|0,0,2]=4 879 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,1,0,0,0,0|0,0,2]=4 880 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,1,0,0,0,0|0,0,2]=4 881 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,1,0,0,0,0|0,0,2]=4 882 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,1,0,0,0,0|0,0,2]=4 883 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,1,0,0,0,0|0,0,2]=4 884 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [1,1,0,0,0,0|1,0,1]=4 885 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [1,1,0,0,0,0|0,0,1]=3 886 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [1,1,0,0,0,0|0,0,1]=3 887 B11R1.28 [13CH3]OCC#Cc1ccccn1 34a_100011894333_200025704644 [1,1,0,0,0,0|1,0,1]=4 888 B11R1.28 [13CH3]OCC#Cc1cccnc1 34a_100011376247_200025704644 [1,1,0,0,0,0|1,0,1]=4 889 B11R1.28 [13CH3]OCC#Cc1ccncc1 34a_100011894393_200025704644 [1,1,0,0,0,0|1,0,1]=4 890 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [1,1,0,0,0,0|0,1,1]=4 891 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,1,0|1,0,1]=4 892 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,1,0|1,0,1]=4 893 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,1,0|1,0,1]=4 894 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,1,0|1,0,1]=4 895 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,1,0|1,0,1]=4 896 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,1,0|1,0,1]=4 897 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,1,0|1,0,1]=4 898 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,1,0|1,0,1]=4 899 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,1,0|1,0,1]=4 900 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,1,0|1,0,1]=4 901 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,1,0|1,0,1]=4 902 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,1,0|1,0,1]=4 903 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,1,0,0,1,0|2,0,0]=4 904 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,1,0,0,1,0|2,0,0]=4 905 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,1,0,0,1,0|2,0,0]=4 906 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,1,0,0,1,0|2,0,0]=4 907 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,1,0,0,1,0|2,0,0]=4 908 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,1,0,0,1,0|2,0,0]=4 909 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,1,0,0,1,0|2,0,0]=4 910 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,1,0,0,1,0|2,0,0]=4 911 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,1,0,0,1,0|2,0,0]=4 912 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,1,0,0,1,0|2,0,0]=4 913 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,1,0,0,1,0|2,0,0]=4 914 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,1,0,0,1,0|2,0,0]=4 915 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,1,0,0,1,0|2,0,0]=4 916 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,1,0,0,1,0|2,0,0]=4 917 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,1,0,0,1,0|2,0,0]=4 918 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,1,0,0,1,0|2,0,0]=4 919 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,1,0,0,1,0|2,0,0]=4 920 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,1,0,0,1,0|2,0,0]=4 921 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,1,0,0,1,0|2,0,0]=4 922 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,1,0,0,1,0|2,0,0]=4 923 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,1,0,0,1,0|2,0,0]=4 924 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,1,0,0,1,0|2,0,0]=4 925 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,0,1,0|2,0,0]=4 926 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,1,0,0,1,0|2,0,0]=4 927 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,1,0|1,0,1]=4 928 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,1,0,0,1,0|1,0,1]=4 929 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,1,0,0,1,0|2,0,0]=4 930 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,1,0|1,0,1]=4 931 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,1,0|1,0,1]=4 932 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,1,0|1,0,1]=4 933 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,1,0|1,0,1]=4 934 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,1,0|1,0,1]=4 935 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,1,0|1,0,1]=4 936 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,1,0|1,0,1]=4 937 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,1,0|1,0,1]=4 938 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,1,0|1,0,1]=4 939 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,1,0|2,0,0]=4 940 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,1,0|2,0,0]=4 941 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,1,0|2,0,0]=4 942 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,1,0|1,0,1]=4 943 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,1,0|1,0,1]=4 944 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,1,0|1,0,1]=4 945 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,1,0|1,0,1]=4 946 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,1,0|1,0,1]=4 947 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,1,0,0,1,0|1,0,1]=4 948 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,1,0,0,1,0|1,0,1]=4 949 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,1,0,0,1,0|1,0,1]=4 950 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,1,0,0,1,0|1,0,1]=4 951 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,1,0,0,1,0|1,0,1]=4 952 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,1,0,0,1,0|1,0,1]=4 953 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,1,0,0,1,0|1,0,1]=4 954 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,1,0,0,1,0|1,0,1]=4 955 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,1,0,0,1,0|1,0,1]=4 956 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,1,0,0,1,0|1,0,1]=4 957 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,1,0,0,1,0|1,0,1]=4 958 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,1,0,0,1,0|1,0,1]=4 959 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,1,0,0,1,0|2,0,0]=4 960 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,1,0,0,1,0|2,0,0]=4 961 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,1,0,0,1,0|2,0,0]=4 962 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,1,0,0,1,0|2,0,0]=4 963 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,1,0,0,1,0|2,0,0]=4 964 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,1,0,0,1,0|2,0,0]=4 965 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,1,0,0,1,0|2,0,0]=4 966 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,1,0,0,1,0|2,0,0]=4 967 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,1,0,0,1,0|2,0,0]=4 968 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,1,0,0,1,0|2,0,0]=4 969 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,1,0,0,1,0|2,0,0]=4 970 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,1,0,0,1,0|2,0,0]=4 971 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,1,0,0,1,0|2,0,0]=4 972 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,1,0,0,1,0|2,0,0]=4 973 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,1,0,0,1,0|2,0,0]=4 974 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,1,0,0,1,0|2,0,0]=4 975 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,1,0,0,1,0|2,0,0]=4 976 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,1,0,0,1,0|2,0,0]=4 977 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,1,0,0,1,0|2,0,0]=4 978 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,1,0,0,1,0|2,0,0]=4 979 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,1,0,0,1,0|1,0,1]=4 980 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,1,0,0,1,0|1,0,1]=4 981 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,1,0,0,1,0|2,0,0]=4 982 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,1,0,0,1,0|1,0,1]=4 983 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,1,0,0,1,0|1,0,1]=4 984 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,1,0,0,1,0|1,0,1]=4 985 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,1,0,0,1,0|1,0,1]=4 986 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,1,0,0,1,0|1,0,1]=4 987 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,1,0,0,1,0|1,0,1]=4 988 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,1,0,0,1,0|1,0,1]=4 989 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,1,0,0,1,0|1,0,1]=4 990 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,1,0,0,1,0|1,0,1]=4 991 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,1,0,0,1,0|1,0,1]=4 992 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,1,0,0,1,0|1,0,1]=4 993 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,1,0,0,1,0|1,0,1]=4 994 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,1,0,0,1,0|1,0,1]=4 995 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,1,0,0,1,0|1,0,1]=4 996 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,1,0,0,1,0|1,0,1]=4 997 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,1,0,0,1,0|1,0,1]=4 998 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,1,0,0,1,0|1,0,1]=4 999 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,1,0,0,1,0|1,0,1]=4 1000 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,1,0,0,1,0|2,0,0]=4 1001 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,1,0,0,1,0|2,0,0]=4 1002 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,1,0,0,1,0|2,0,0]=4 1003 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,1,0,0,1,0|2,0,0]=4 1004 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,1,0,0,1,0|2,0,0]=4 1005 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,1,0,0,1,0|2,0,0]=4 1006 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,1,0,0,1,0|2,0,0]=4 1007 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,1,0,0,1,0|2,0,0]=4 1008 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,1,0,0,1,0|2,0,0]=4 1009 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,1,0,0,1,0|2,0,0]=4 1010 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,1,0,0,1,0|2,0,0]=4 1011 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,1,0,0,1,0|2,0,0]=4 1012 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,1,0,0,1,0|2,0,0]=4 1013 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,1,0,0,1,0|2,0,0]=4 1014 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,1,0,0,1,0|2,0,0]=4 1015 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,1,0,0,1,0|2,0,0]=4 1016 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,1,0,0,1,0|2,0,0]=4 1017 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,1,0,0,1,0|2,0,0]=4 1018 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,1,0,0,1,0|2,0,0]=4 1019 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,1,0,0,1,0|2,0,0]=4 1020 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,1,0,0,1,0|2,0,0]=4 1021 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,1,0,0,1,0|2,0,0]=4 1022 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,1,0,0,1,0|2,0,0]=4 1023 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,1,0,0,1,0|2,0,0]=4 1024 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,1,0,0,1,0|1,0,1]=4 1025 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,1,0,0,1,0|1,0,1]=4 1026 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [0,1,0,0,1,0|2,0,0]=4 1027 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,1,0,0,1,0|1,0,1]=4 1028 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,1,0,0,1,0|1,0,1]=4 1029 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,1,0,0,1,0|1,0,1]=4 1030 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,1,0,0,1,0|1,0,1]=4 1031 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,1,0,0,1,0|1,0,1]=4 1032 B13R1.45 CC(NCC(=O)O)c1ccccc1 269956a_100016091260_100000211855 [0,1,0,0,0,1|0,0,2]=4 1033 B13R1.149 CC(=O)CC#Cc1cccc(c1)Br 1458a_100000070787_100010706776 [0,1,0,0,0,1|1,0,0]=3 1034 B13R1.149 CC(=O)CC#Cc1cccc(c1)F 1458a_100000070787_100010402994 [0,1,0,0,0,1|1,0,0]=3 1035 B13R1.149 Cc1cccc(c1)CNCC(=O)O 269956a_100016091260_100000005736 [0,1,0,0,0,1|0,0,2]=4 1036 B13R1.149 O=C(O)CNCc1cccc(c1)Br 269956a_100016091260_100000211773 [0,1,0,0,0,1|0,0,2]=4 1037 B13R1.149 O=C(O)CNCc1cccc(c1)Cl 269956a_100016091260_100000187163 [0,1,0,0,0,1|0,0,2]=4 1038 B13R1.149 O=C(O)CNCc1cccc(c1)F 269956a_100016091260_100000230114 [0,1,0,0,0,1|0,0,2]=4 1039 B13R1.149 O=C(O)CNCc1cccc(c1)I 269956a_100016091260_100011218688 [0,1,0,0,0,1|0,0,2]=4 1040 B13R1.149 O=C(O)CNCc1cccc(c1)O 269956a_100016091260_100011660834 [0,1,0,0,0,1|0,0,2]=4 1041 B13R1.158 CC(=O)CC#Cc1ccccc1Br 1458a_100000070787_100010706765 [0,1,0,0,0,1|1,0,0]=3 1042 B13R1.158 CC(=O)CC#Cc1ccccc1F 1458a_100000070787_100010404167 [0,1,0,0,0,1|1,0,0]=3 1043 B13R1.158 Cc1ccccc1CNCC(=O)O 269956a_100016091260_100000211750 [0,1,0,0,0,1|0,0,2]=4 1044 B13R1.158 O=C(O)CNCc1ccccc1Br 269956a_100016091260_100000184730 [0,1,0,0,0,1|0,0,2]=4 1045 B13R1.158 O=C(O)CNCc1ccccc1Cl 269956a_100016091260_100000187162 [0,1,0,0,0,1|0,0,2]=4 1046 B13R1.158 O=C(O)CNCc1ccccc1F 269956a_100016091260_100000187165 [0,1,0,0,0,1|0,0,2]=4 1047 B13R1.158 O=C(O)CNCc1ccccc1I 269956a_100016091260_100011216222 [0,1,0,0,0,1|0,0,2]=4 1048 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,1,0,0,0,1|0,0,2]=4 1049 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,1,0,0,0,1|0,0,2]=4 1050 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,1,0,0,0,1|0,0,2]=4 1051 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,1,0,0,0,1|0,0,2]=4 1052 B13R1.513 CC(=O)CC#Cc1ccc(cc1)Br 1458a_100000070787_100010706785 [0,1,0,0,0,1|1,0,0]=3 1053 B13R1.513 CC(=O)CC#Cc1ccc(cc1)F 1458a_100000070787_100010402171 [0,1,0,0,0,1|1,0,0]=3 1054 B13R1.513 Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000210814 [0,1,0,0,0,1|0,0,2]=4 1055 B13R1.513 O=C(O)CNCc1ccc(cc1)Br 269956a_100016091260_100011217064 [0,1,0,0,0,1|0,0,2]=4 1056 B13R1.513 O=C(O)CNCc1ccc(cc1)Cl 269956a_100016091260_100000187161 [0,1,0,0,0,1|0,0,2]=4 1057 B13R1.513 O=C(O)CNCc1ccc(cc1)F 269956a_100016091260_100000198546 [0,1,0,0,0,1|0,0,2]=4 1058 B13R1.513 O=C(O)CNCc1ccc(cc1)I 269956a_100016091260_100000189116 [0,1,0,0,0,1|0,0,2]=4 1059 B13R1.718 C#CC(=O)CC#Cc1ccccc1 1458a_100000211873_100011352542 [0,1,0,0,0,1|1,0,0]=3 1060 B13R1.718 C=CC(=O)CC#Cc1ccccc1 1458a_100000185746_100011352542 [0,1,0,0,0,1|1,0,0]=3 1061 B13R1.718 CCC(=O)CC#Cc1ccccc1 1458a_100000210414_100011352542 [0,1,0,0,0,1|1,0,0]=3 1062 B13R1.718 COC(=O)C=NNc1ccccc1 4a_100015195140_200011823558 [0,1,0,0,0,1|1,0,1]=4 1063 B13R1.718 COC(=O)CCNc1ccccc1 34a_100000106764_100000742370 [0,1,0,0,0,1|0,0,2]=4 1064 B13R1.718 COC(=O)CCOc1ccccc1 34a_100000210340_100000742370 [0,1,0,0,0,1|0,0,2]=4 1065 B13R1.718 COC(=O)CCOc1ccccc1 7a_100000210340_100000204255 [0,1,0,0,0,1|0,0,2]=4 1066 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000204255_100000041952 [0,1,0,0,0,1|0,0,2]=4 1067 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000719477_100000204255 [0,1,0,0,0,1|0,0,2]=4 1068 B13R1.718 COC(=O)CNCc1ccccc1 2230a_100015324214_100000747449 [0,1,0,0,0,1|0,0,2]=4 1069 B13R1.718 COC(=O)CNCc1ccccc1 34a_100015324214_100000747449 [0,1,0,0,0,1|0,0,2]=4 1070 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [0,1,0,0,0,1|0,0,2]=4 1071 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [0,1,0,0,0,1|0,0,2]=4 1072 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000211182_100000747449 [0,1,0,0,0,1|0,0,2]=4 1073 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000747449_100015291786 [0,1,0,0,0,1|0,0,2]=4 1074 B13R1.718 COC(=O)OCSc1ccccc1 62a_100000719477_100000139417 [0,1,0,0,0,1|1,0,1]=4 1075 B13R1.718 O=C(CO)C/C=C/c1ccccc1 1458a_100000210174_100016265936 [0,1,0,0,0,1|0,0,2]=4 1076 B13R1.718 O=C(CO)CC#Cc1ccccc1 1458a_100000210174_100011352542 [0,1,0,0,0,1|0,0,0]=2 1077 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,1,0,0,0,1|0,0,2]=4 1078 B13R1.718 O=C(CO)CCOc1ccccc1 1458a_100000210174_100000184471 [0,1,0,0,0,1|0,0,2]=4 1079 B13R1.718 O=C(CO)CCSc1ccccc1 1458a_100000210174_100000246102 [0,1,0,0,0,1|0,0,2]=4 1080 B13R1.718 O=C(CO)CSCc1ccccc1 1458a_100000210174_200011217039 [0,1,0,0,0,1|0,0,2]=4 1081 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [0,1,0,0,0,1|0,0,2]=4 1082 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [0,1,0,0,0,1|0,0,2]=4 1083 B13R1.718 O=C(CO)NNCc1ccccc1 22a_100000007032_100000210174 [0,1,0,0,0,1|1,0,1]=4 1084 B13R1.3 COc1ccc(cc1)C#CC(=O)C 1458a_100000185621_200000210301 [0,2,0,0,0,0|1,0,0]=3 1085 B13R1.3 COc1ccc(cc1)C#CC(=O)[13CH3] 1458a_100000185621_200025704644 [0,2,0,0,0,0|1,0,0]=3 1086 B13R1.14 CCC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_100000210202 [0,2,0,0,0,0|1,0,0]=3 1087 B13R1.14 CCC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_100000210202 [0,2,0,0,0,0|1,0,0]=3 1088 B13R1.14 CCC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_100000210202 [0,2,0,0,0,0|1,0,0]=3 1089 B13R1.14 CNC(=O)C#Cc1ccc(cc1)Cl 240690a_100102657272_100011892723 [0,2,0,0,0,0|1,0,0]=3 1090 B13R1.14 CNC(=O)C#Cc1ccc(cc1)F 240690a_100102657272_100000238512 [0,2,0,0,0,0|1,0,0]=3 1091 B13R1.14 COC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100000148628 [0,2,0,0,0,0|0,0,2]=4 1092 B13R1.14 COC(=O)C#Cc1ccc(cc1)O 271570a_203496583355_100012100070 [0,2,0,0,0,0|0,0,0]=2 1093 B13R1.14 COC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012357364 [0,2,0,0,0,0|0,0,2]=4 1094 B13R1.14 COC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747449 [0,2,0,0,0,0|1,0,1]=4 1095 B13R1.14 COC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000747449 [0,2,0,0,0,0|1,0,1]=4 1096 B13R1.14 COC(=O)CNc1ccc(cc1)C 34a_100000124888_100000747449 [0,2,0,0,0,0|1,0,1]=4 1097 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747449 [0,2,0,0,0,0|1,0,1]=4 1098 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000747449 [0,2,0,0,0,0|1,0,1]=4 1099 B13R1.14 COC(=O)CNc1ccc(cc1)F 34a_100000185862_100000747449 [0,2,0,0,0,0|1,0,1]=4 1100 B13R1.14 COC(=O)CNc1ccc(cc1)I 34a_100000185761_100000747449 [0,2,0,0,0,0|1,0,1]=4 1101 B13R1.14 COC(=O)CNc1ccc(cc1)O 34a_100000185829_100000747449 [0,2,0,0,0,0|1,0,1]=4 1102 B13R1.14 COC(=O)COc1ccc(cc1)Br 34a_100000185759_100000747449 [0,2,0,0,0,0|1,0,1]=4 1103 B13R1.14 COC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747449 [0,2,0,0,0,0|1,0,1]=4 1104 B13R1.14 COC(=O)COc1ccc(cc1)C 34a_100000210336_100000747449 [0,2,0,0,0,0|1,0,1]=4 1105 B13R1.14 COC(=O)COc1ccc(cc1)C 7a_100000210336_100000747449 [0,2,0,0,0,0|1,0,1]=4 1106 B13R1.14 COC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000747449 [0,2,0,0,0,0|1,0,1]=4 1107 B13R1.14 COC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747449 [0,2,0,0,0,0|1,0,1]=4 1108 B13R1.14 COC(=O)COc1ccc(cc1)F 34a_100000210339_100000747449 [0,2,0,0,0,0|1,0,1]=4 1109 B13R1.14 COC(=O)COc1ccc(cc1)I 34a_100000212066_100000747449 [0,2,0,0,0,0|1,0,1]=4 1110 B13R1.14 COC(=O)COc1ccc(cc1)I 7a_100000212066_100000747449 [0,2,0,0,0,0|1,0,1]=4 1111 B13R1.14 COC(=O)COc1ccc(cc1)N 34a_100000185829_100000747449 [0,2,0,0,0,0|1,0,1]=4 1112 B13R1.14 COC(=O)COc1ccc(cc1)O 271570a_203496583355_100000149925 [0,2,0,0,0,0|1,0,1]=4 1113 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000747449_100000752885 [0,2,0,0,0,0|1,0,1]=4 1114 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747449 [0,2,0,0,0,0|1,0,1]=4 1115 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747449 [0,2,0,0,0,0|1,0,1]=4 1116 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000747449_100000186775 [0,2,0,0,0,0|1,0,1]=4 1117 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000747449_100000755918 [0,2,0,0,0,0|1,0,1]=4 1118 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747449 [0,2,0,0,0,0|1,0,1]=4 1119 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747449 [0,2,0,0,0,0|1,0,1]=4 1120 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000747449_100000211213 [0,2,0,0,0,0|1,0,1]=4 1121 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747449 [0,2,0,0,0,0|1,0,1]=4 1122 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000747449_100000185761 [0,2,0,0,0,0|1,0,1]=4 1123 B13R1.14 COC(=O)CSc1ccc(cc1)O 62a_100000747449_100000185759 [0,2,0,0,0,0|1,0,1]=4 1124 B13R1.14 Cc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100011713686 [0,2,0,0,0,0|0,0,2]=4 1125 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 240690a_100000174908_100000210174 [0,2,0,0,0,0|1,0,1]=4 1126 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 527a_100000174908_100000210174 [0,2,0,0,0,0|1,0,1]=4 1127 B13R1.14 Cc1ccc(cc1)NNC(=O)CO 22a_100000683527_100000210174 [0,2,0,0,0,0|2,0,0]=4 1128 B13R1.14 O=C(C#Cc1ccc(cc1)Br)CF 1458a_100012100275_100015361967 [0,2,0,0,0,0|1,0,0]=3 1129 B13R1.14 O=C(C#Cc1ccc(cc1)Cl)CF 1458a_100011892723_100015361967 [0,2,0,0,0,0|1,0,0]=3 1130 B13R1.14 O=C(C#Cc1ccc(cc1)F)CF 1458a_100000238512_100015361967 [0,2,0,0,0,0|1,0,0]=3 1131 B13R1.14 O=C(CO)CCc1ccc(cc1)Br 1458a_100000210174_100011740612 [0,2,0,0,0,0|0,0,2]=4 1132 B13R1.14 O=C(CO)CCc1ccc(cc1)Cl 1458a_100000210174_100011713675 [0,2,0,0,0,0|0,0,2]=4 1133 B13R1.14 O=C(CO)CCc1ccc(cc1)F 1458a_100000210174_100011217392 [0,2,0,0,0,0|0,0,2]=4 1134 B13R1.14 O=C(CO)CCc1ccc(cc1)O 1458a_100000210174_100009816426 [0,2,0,0,0,0|0,0,2]=4 1135 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 240690a_100000174875_100000210174 [0,2,0,0,0,0|1,0,1]=4 1136 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 527a_100000174875_100000210174 [0,2,0,0,0,0|1,0,1]=4 1137 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 240690a_100000174871_100000210174 [0,2,0,0,0,0|1,0,1]=4 1138 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 527a_100000174871_100000210174 [0,2,0,0,0,0|1,0,1]=4 1139 B13R1.14 O=C(CO)NCc1ccc(cc1)F 240690a_100000174882_100000210174 [0,2,0,0,0,0|1,0,1]=4 1140 B13R1.14 O=C(CO)NCc1ccc(cc1)F 527a_100000174882_100000210174 [0,2,0,0,0,0|1,0,1]=4 1141 B13R1.14 O=C(CO)NCc1ccc(cc1)I 240690a_100016989417_100000210174 [0,2,0,0,0,0|1,0,1]=4 1142 B13R1.14 O=C(CO)NCc1ccc(cc1)I 527a_100016989417_100000210174 [0,2,0,0,0,0|1,0,1]=4 1143 B13R1.14 O=C(CO)NCc1ccc(cc1)O 240690a_100000185549_100000210174 [0,2,0,0,0,0|1,0,1]=4 1144 B13R1.14 O=C(CO)NCc1ccc(cc1)O 527a_100000185549_100000210174 [0,2,0,0,0,0|1,0,1]=4 1145 B13R1.14 O=C(CO)NNc1ccc(cc1)Br 22a_100000735608_100000210174 [0,2,0,0,0,0|2,0,0]=4 1146 B13R1.14 O=C(CO)NNc1ccc(cc1)Cl 22a_100000683521_100000210174 [0,2,0,0,0,0|2,0,0]=4 1147 B13R1.14 O=C(CO)NNc1ccc(cc1)F 22a_100000728448_100000210174 [0,2,0,0,0,0|2,0,0]=4 1148 B13R1.14 O=C(CO)NNc1ccc(cc1)I 22a_100016988836_100000210174 [0,2,0,0,0,0|2,0,0]=4 1149 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200000210301 [0,2,0,0,0,0|1,0,1]=4 1150 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000210301 [0,2,0,0,0,0|1,0,1]=4 1151 B13R1.132 CN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200000210301 [0,2,0,0,0,0|1,0,1]=4 1152 B13R1.132 CN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200000210301 [0,2,0,0,0,0|1,0,1]=4 1153 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200025704644 [0,2,0,0,0,0|1,0,1]=4 1154 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200025704644 [0,2,0,0,0,0|1,0,1]=4 1155 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200025704644 [0,2,0,0,0,0|1,0,1]=4 1156 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200025704644 [0,2,0,0,0,0|1,0,1]=4 1157 B13R1.512 CC(C)(O)C#Cc1ccc(cc1)O 271570a_203496583355_200009994073 [0,2,0,0,0,0|1,0,1]=4 1158 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [0,2,0,0,0,0|0,0,2]=4 1159 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [0,2,0,0,0,0|0,0,2]=4 1160 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747449 [0,2,0,0,0,0|1,0,1]=4 1161 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000757779_200000210301 [0,2,0,0,0,0|1,0,1]=4 1162 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747449 [0,2,0,0,0,0|1,0,1]=4 1163 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000757779_200000210301 [0,2,0,0,0,0|1,0,1]=4 1164 B13R1.11 COC(=O)CN(C)c1ccccc1 34a_100000210012_100000747449 [0,2,0,0,0,0|1,0,1]=4 1165 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 2230a_100000757779_200025704644 [0,2,0,0,0,0|1,0,1]=4 1166 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 269982a_100000757779_200025704644 [0,2,0,0,0,0|1,0,1]=4 1167 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 240690a_100000751104_100000210174 [0,2,0,0,0,0|1,0,1]=4 1168 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 527a_100000751104_100000210174 [0,2,0,0,0,0|1,0,1]=4 1169 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [0,2,0,0,0,0|0,0,2]=4 1170 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [0,2,0,0,0,0|0,0,2]=4 1171 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [0,2,0,0,0,0|0,0,2]=4 1172 B13R1.15 CCC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_100000210202 [0,2,0,0,0,0|1,0,0]=3 1173 B13R1.15 CCC(=O)C#Cc1cccc(c1)C 1458a_100011892726_100000210202 [0,2,0,0,0,0|1,0,0]=3 1174 B13R1.15 CCC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_100000210202 [0,2,0,0,0,0|1,0,0]=3 1175 B13R1.15 CCC(=O)C#Cc1cccc(c1)F 1458a_100011892744_100000210202 [0,2,0,0,0,0|1,0,0]=3 1176 B13R1.15 CCC(=O)C#Cc1cccc(c1)O 1458a_200009909484_100000210202 [0,2,0,0,0,0|1,0,0]=3 1177 B13R1.15 CNC(=O)C#Cc1cccc(c1)C 240690a_100102657272_100011892726 [0,2,0,0,0,0|1,0,0]=3 1178 B13R1.15 CNC(=O)C#Cc1cccc(c1)Cl 240690a_100102657272_100011892777 [0,2,0,0,0,0|1,0,0]=3 1179 B13R1.15 CNC(=O)C#Cc1cccc(c1)F 240690a_100102657272_100011892744 [0,2,0,0,0,0|1,0,0]=3 1180 B13R1.15 COC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_100000149372 [0,2,0,0,0,0|0,0,2]=4 1181 B13R1.15 COC(=O)CCc1cccc(c1)O 271570a_203496583355_100000151591 [0,2,0,0,0,0|0,0,2]=4 1182 B13R1.15 COC(=O)CNc1cccc(c1)Br 34a_100000210019_100000747449 [0,2,0,0,0,0|1,0,1]=4 1183 B13R1.15 COC(=O)CNc1cccc(c1)C 2230a_100000188690_100000747449 [0,2,0,0,0,0|1,0,1]=4 1184 B13R1.15 COC(=O)CNc1cccc(c1)C 34a_100000188690_100000747449 [0,2,0,0,0,0|1,0,1]=4 1185 B13R1.15 COC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000747449 [0,2,0,0,0,0|1,0,1]=4 1186 B13R1.15 COC(=O)CNc1cccc(c1)F 34a_100000210047_100000747449 [0,2,0,0,0,0|1,0,1]=4 1187 B13R1.15 COC(=O)CNc1cccc(c1)I 34a_100000211102_100000747449 [0,2,0,0,0,0|1,0,1]=4 1188 B13R1.15 COC(=O)CNc1cccc(c1)O 34a_100000210217_100000747449 [0,2,0,0,0,0|1,0,1]=4 1189 B13R1.15 COC(=O)COc1cccc(c1)Br 34a_100000210342_100000747449 [0,2,0,0,0,0|1,0,1]=4 1190 B13R1.15 COC(=O)COc1cccc(c1)Br 7a_100000210342_100000747449 [0,2,0,0,0,0|1,0,1]=4 1191 B13R1.15 COC(=O)COc1cccc(c1)C 34a_100000210337_100000747449 [0,2,0,0,0,0|1,0,1]=4 1192 B13R1.15 COC(=O)COc1cccc(c1)C 7a_100000210337_100000747449 [0,2,0,0,0,0|1,0,1]=4 1193 B13R1.15 COC(=O)COc1cccc(c1)Cl 34a_100000210295_100000747449 [0,2,0,0,0,0|1,0,1]=4 1194 B13R1.15 COC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747449 [0,2,0,0,0,0|1,0,1]=4 1195 B13R1.15 COC(=O)COc1cccc(c1)F 34a_100000210426_100000747449 [0,2,0,0,0,0|1,0,1]=4 1196 B13R1.15 COC(=O)COc1cccc(c1)F 7a_100000210426_100000747449 [0,2,0,0,0,0|1,0,1]=4 1197 B13R1.15 COC(=O)COc1cccc(c1)I 34a_100000211634_100000747449 [0,2,0,0,0,0|1,0,1]=4 1198 B13R1.15 COC(=O)COc1cccc(c1)I 7a_100000211634_100000747449 [0,2,0,0,0,0|1,0,1]=4 1199 B13R1.15 COC(=O)COc1cccc(c1)N 34a_100000210217_100000747449 [0,2,0,0,0,0|1,0,1]=4 1200 B13R1.15 COC(=O)COc1cccc(c1)O 271570a_203496583355_200000148702 [0,2,0,0,0,0|1,0,1]=4 1201 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747449 [0,2,0,0,0,0|1,0,1]=4 1202 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000747449_100000691529 [0,2,0,0,0,0|1,0,1]=4 1203 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100000747449_100011215228 [0,2,0,0,0,0|1,0,1]=4 1204 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100011215228_100000747449 [0,2,0,0,0,0|1,0,1]=4 1205 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747449 [0,2,0,0,0,0|1,0,1]=4 1206 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000747449_100000699651 [0,2,0,0,0,0|1,0,1]=4 1207 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000685547_100000747449 [0,2,0,0,0,0|1,0,1]=4 1208 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000747449_100000685547 [0,2,0,0,0,0|1,0,1]=4 1209 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000210019_100000747449 [0,2,0,0,0,0|1,0,1]=4 1210 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000747449_100000210019 [0,2,0,0,0,0|1,0,1]=4 1211 B13R1.15 COC(=O)CSc1cccc(c1)O 271570a_203496583355_100011756034 [0,2,0,0,0,0|1,0,1]=4 1212 B13R1.15 COC(=O)CSc1cccc(c1)O 62a_100000747449_100000211634 [0,2,0,0,0,0|1,0,1]=4 1213 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_100000747449_114929384022 [0,2,0,0,0,0|1,0,1]=4 1214 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747449 [0,2,0,0,0,0|1,0,1]=4 1215 B13R1.15 Cc1cccc(c1)C#CC(=O)CF 1458a_100011892726_100015361967 [0,2,0,0,0,0|1,0,0]=3 1216 B13R1.15 Cc1cccc(c1)CCC(=O)CO 1458a_100000210174_100011713685 [0,2,0,0,0,0|0,0,2]=4 1217 B13R1.15 Cc1cccc(c1)CNC(=O)CO 240690a_100000185548_100000210174 [0,2,0,0,0,0|1,0,1]=4 1218 B13R1.15 Cc1cccc(c1)CNC(=O)CO 527a_100000185548_100000210174 [0,2,0,0,0,0|1,0,1]=4 1219 B13R1.15 Cc1cccc(c1)NNC(=O)CO 22a_100000681630_100000210174 [0,2,0,0,0,0|2,0,0]=4 1220 B13R1.15 O=C(C#Cc1cccc(c1)Br)CF 1458a_100012100324_100015361967 [0,2,0,0,0,0|1,0,0]=3 1221 B13R1.15 O=C(C#Cc1cccc(c1)Cl)CF 1458a_100011892777_100015361967 [0,2,0,0,0,0|1,0,0]=3 1222 B13R1.15 O=C(C#Cc1cccc(c1)F)CF 1458a_100011892744_100015361967 [0,2,0,0,0,0|1,0,0]=3 1223 B13R1.15 O=C(C#Cc1cccc(c1)O)CF 1458a_200009909484_100015361967 [0,2,0,0,0,0|1,0,0]=3 1224 B13R1.15 O=C(CO)CCc1cccc(c1)Br 1458a_100000210174_100011740638 [0,2,0,0,0,0|0,0,2]=4 1225 B13R1.15 O=C(CO)CCc1cccc(c1)Cl 1458a_100000210174_100011713710 [0,2,0,0,0,0|0,0,2]=4 1226 B13R1.15 O=C(CO)CCc1cccc(c1)F 1458a_100000210174_100011217235 [0,2,0,0,0,0|0,0,2]=4 1227 B13R1.15 O=C(CO)NCc1cccc(c1)Br 240690a_100000174977_100000210174 [0,2,0,0,0,0|1,0,1]=4 1228 B13R1.15 O=C(CO)NCc1cccc(c1)Br 527a_100000174977_100000210174 [0,2,0,0,0,0|1,0,1]=4 1229 B13R1.15 O=C(CO)NCc1cccc(c1)Cl 240690a_100000174878_100000210174 [0,2,0,0,0,0|1,0,1]=4 1230 B13R1.15 O=C(CO)NCc1cccc(c1)Cl 527a_100000174878_100000210174 [0,2,0,0,0,0|1,0,1]=4 1231 B13R1.15 O=C(CO)NCc1cccc(c1)F 240690a_100000174948_100000210174 [0,2,0,0,0,0|1,0,1]=4 1232 B13R1.15 O=C(CO)NCc1cccc(c1)F 527a_100000174948_100000210174 [0,2,0,0,0,0|1,0,1]=4 1233 B13R1.15 O=C(CO)NCc1cccc(c1)I 240690a_100000106179_100000210174 [0,2,0,0,0,0|1,0,1]=4 1234 B13R1.15 O=C(CO)NCc1cccc(c1)I 527a_100000106179_100000210174 [0,2,0,0,0,0|1,0,1]=4 1235 B13R1.15 O=C(CO)NCc1cccc(c1)O 240690a_100000743036_100000210174 [0,2,0,0,0,0|1,0,1]=4 1236 B13R1.15 O=C(CO)NCc1cccc(c1)O 527a_100000743036_100000210174 [0,2,0,0,0,0|1,0,1]=4 1237 B13R1.15 O=C(CO)NNc1cccc(c1)Br 22a_100000217339_100000210174 [0,2,0,0,0,0|2,0,0]=4 1238 B13R1.15 O=C(CO)NNc1cccc(c1)Cl 22a_100000184277_100000210174 [0,2,0,0,0,0|2,0,0]=4 1239 B13R1.15 O=C(CO)NNc1cccc(c1)F 22a_100000745080_100000210174 [0,2,0,0,0,0|2,0,0]=4 1240 B13R1.15 O=C(CO)NNc1cccc(c1)I 22a_100020605690_100000210174 [0,2,0,0,0,0|2,0,0]=4 1241 B13R1.42 C#CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000184674 [0,2,0,0,0,0|1,0,0]=3 1242 B13R1.42 C#CCC(=O)C#Cc1ccccn1 1458a_102125277312_100000184674 [0,2,0,0,0,0|2,0,0]=4 1243 B13R1.42 C=CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210623 [0,2,0,0,0,0|1,0,0]=3 1244 B13R1.42 C=CCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210623 [0,2,0,0,0,0|2,0,0]=4 1245 B13R1.42 C=COC(=O)CNc1ccccc1 34a_100000106764_100000036128 [0,2,0,0,0,0|1,0,1]=4 1246 B13R1.42 C=COC(=O)COc1ccccc1 34a_100000210340_100000036128 [0,2,0,0,0,0|1,0,1]=4 1247 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000036128_100000041952 [0,2,0,0,0,0|1,0,1]=4 1248 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000719477_100000036128 [0,2,0,0,0,0|1,0,1]=4 1249 B13R1.42 CC(C#Cc1ccccc1)OCF 34a_200000065209_100015361967 [0,2,0,0,0,0|1,0,1]=4 1250 B13R1.42 CC(C#Cc1ccccc1)OCF 7a_200000065209_100015361967 [0,2,0,0,0,0|1,0,1]=4 1251 B13R1.42 CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210303 [0,2,0,0,0,0|1,0,0]=3 1252 B13R1.42 CCCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210303 [0,2,0,0,0,0|2,0,0]=4 1253 B13R1.42 CCNC(=O)C#Cc1ccccc1 240690a_100015525214_100000736102 [0,2,0,0,0,0|1,0,0]=3 1254 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [0,2,0,0,0,0|0,0,2]=4 1255 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [0,2,0,0,0,0|1,0,1]=4 1256 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [0,2,0,0,0,0|1,0,1]=4 1257 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [0,2,0,0,0,0|1,0,1]=4 1258 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [0,2,0,0,0,0|1,0,1]=4 1259 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [0,2,0,0,0,0|1,0,1]=4 1260 B13R1.42 CCOC(C)C#Cc1ccccc1 34a_200000065209_100000210202 [0,2,0,0,0,0|1,0,1]=4 1261 B13R1.42 CCOC(C)C#Cc1ccccc1 7a_200000065209_100000210202 [0,2,0,0,0,0|1,0,1]=4 1262 B13R1.42 CNNC(=O)C#Cc1ccccc1 22a_100016993582_100000736102 [0,2,0,0,0,0|1,0,0]=3 1263 B13R1.42 CNNC(=O)C#Cc1ccccn1 22a_100016993582_102125277312 [0,2,0,0,0,0|2,0,0]=4 1264 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [0,2,0,0,0,0|0,0,2]=4 1265 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [0,2,0,0,0,0|0,0,2]=4 1266 B13R1.42 COCC(=O)NCc1ccccc1 11a_100015324214_100000210968 [0,2,0,0,0,0|1,0,1]=4 1267 B13R1.42 COCC(=O)NCc1ccccc1 1626a_100015324214_100000210968 [0,2,0,0,0,0|1,0,1]=4 1268 B13R1.42 COCC(=O)NCc1ccccc1 240690a_100015324214_100000210968 [0,2,0,0,0,0|1,0,1]=4 1269 B13R1.42 COCC(=O)NCc1ccccc1 34a_100138415774_100000183539 [0,2,0,0,0,0|1,0,1]=4 1270 B13R1.42 COCC(=O)NCc1ccccc1 527a_100015324214_100000210968 [0,2,0,0,0,0|1,0,1]=4 1271 B13R1.42 COCC(=O)NNc1ccccc1 22a_100015195140_100000210968 [0,2,0,0,0,0|2,0,0]=4 1272 B13R1.42 COCC(=O)OCc1ccccc1 34a_100138415774_100000753625 [0,2,0,0,0,0|1,0,1]=4 1273 B13R1.42 N#CCC(=O)C#Cc1ccccc1 1458a_100000736102_100011214920 [0,2,0,0,0,0|1,0,0]=3 1274 B13R1.42 N#CCC(=O)C#Cc1ccccn1 1458a_102125277312_100011214920 [0,2,0,0,0,0|2,0,0]=4 1275 B13R1.42 O=C(C#Cc1ccccc1)CCF 1458a_100000736102_100011217306 [0,2,0,0,0,0|1,0,0]=3 1276 B13R1.42 O=C(C#Cc1ccccc1)CCO 1458a_100000736102_100000211926 [0,2,0,0,0,0|0,0,0]=2 1277 B13R1.42 O=C(C#Cc1ccccn1)CCF 1458a_102125277312_100011217306 [0,2,0,0,0,0|2,0,0]=4 1278 B13R1.42 O=C(C#Cc1ccccn1)CCO 1458a_102125277312_100000211926 [0,2,0,0,0,0|1,0,0]=3 1279 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [0,2,0,0,0,0|0,0,2]=4 1280 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [0,2,0,0,0,0|0,0,2]=4 1281 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [0,2,0,0,0,0|0,0,2]=4 1282 B13R1.42 O=C(CCO)COc1ccccc1 1458a_100000186222_100000211926 [0,2,0,0,0,0|1,0,1]=4 1283 B13R1.42 O=C(CCO)CSc1ccccc1 1458a_100000211596_100000211926 [0,2,0,0,0,0|1,0,1]=4 1284 B13R1.42 O=C(CCO)NCc1ccccc1 240690a_100015324214_100011216618 [0,2,0,0,0,0|1,0,1]=4 1285 B13R1.42 O=C(CCO)NNc1ccccc1 22a_100015195140_100011216618 [0,2,0,0,0,0|2,0,0]=4 1286 B13R1.42 O=C(CNc1ccccc1)NCO 34a_100000106764_100000185155 [0,2,0,0,0,0|1,0,1]=4 1287 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [0,2,0,0,0,0|1,0,1]=4 1288 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [0,2,0,0,0,0|1,0,1]=4 1289 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000185155_100000041952 [0,2,0,0,0,0|1,0,1]=4 1290 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000719477_100000185155 [0,2,0,0,0,0|1,0,1]=4 1291 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [0,2,0,0,0,0|0,0,2]=4 1292 B13R1.135 CN(Cc1ccccc1)C(=O)CO 240690a_100000186898_100000210174 [0,2,0,0,0,0|1,0,1]=4 1293 B13R1.135 CN(Cc1ccccc1)C(=O)CO 527a_100000186898_100000210174 [0,2,0,0,0,0|1,0,1]=4 1294 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,2,0,0,0,0|1,0,1]=4 1295 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,2,0,0,0,0|1,0,1]=4 1296 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,2,0,0,0,0|1,0,1]=4 1297 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [0,2,0,0,0,0|1,0,1]=4 1298 B13R1.135 COC(=O)C(C)Oc1ccccc1 34a_100000210340_100000211248 [0,2,0,0,0,0|1,0,1]=4 1299 B13R1.135 COC(=O)C(C)Oc1ccccc1 7a_100000210340_100000211248 [0,2,0,0,0,0|1,0,1]=4 1300 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000211248_100000041952 [0,2,0,0,0,0|1,0,1]=4 1301 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000719477_100000211248 [0,2,0,0,0,0|1,0,1]=4 1302 B13R1.254 CC(C)(C#Cc1ccccc1)O[13CH3] 34a_100011204173_200025704644 [0,2,0,0,0,0|1,0,1]=4 1303 B13R1.254 CC(C)(C#Cc1ccccc1)O[13CH3] 7a_100011204173_200025704644 [0,2,0,0,0,0|1,0,1]=4 1304 B13R1.254 COC(C)(C)C#Cc1ccccc1 34a_100011204173_200000210301 [0,2,0,0,0,0|1,0,1]=4 1305 B13R1.254 COC(C)(C)C#Cc1ccccc1 7a_100011204173_200000210301 [0,2,0,0,0,0|1,0,1]=4 1306 B13R1.417 CCC(C#Cc1ccccc1)OC 34a_200000065154_200000210301 [0,2,0,0,0,0|1,0,1]=4 1307 B13R1.417 CCC(C#Cc1ccccc1)OC 7a_200000065154_200000210301 [0,2,0,0,0,0|1,0,1]=4 1308 B13R1.417 CCC(C#Cc1ccccc1)O[13CH3] 34a_200000065154_200025704644 [0,2,0,0,0,0|1,0,1]=4 1309 B13R1.417 CCC(C#Cc1ccccc1)O[13CH3] 7a_200000065154_200025704644 [0,2,0,0,0,0|1,0,1]=4 1310 B13R1.528 CCC(=O)C#Cc1ccccc1F 1458a_100011892747_100000210202 [0,2,0,0,0,0|1,0,0]=3 1311 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [0,2,0,0,0,0|0,0,2]=4 1312 B13R1.528 COC(=O)CCc1ccccc1O 271570a_203496583355_100009815308 [0,2,0,0,0,0|0,0,2]=4 1313 B13R1.528 COC(=O)CNc1ccccc1Br 34a_100000210017_100000747449 [0,2,0,0,0,0|1,0,1]=4 1314 B13R1.528 COC(=O)CNc1ccccc1C 34a_100015192222_100000747449 [0,2,0,0,0,0|1,0,1]=4 1315 B13R1.528 COC(=O)CNc1ccccc1Cl 34a_100000185783_100000747449 [0,2,0,0,0,0|1,0,1]=4 1316 B13R1.528 COC(=O)CNc1ccccc1F 34a_100000210422_100000747449 [0,2,0,0,0,0|1,0,1]=4 1317 B13R1.528 COC(=O)CNc1ccccc1I 34a_100000210053_100000747449 [0,2,0,0,0,0|1,0,1]=4 1318 B13R1.528 COC(=O)CNc1ccccc1O 34a_100000185747_100000747449 [0,2,0,0,0,0|1,0,1]=4 1319 B13R1.528 COC(=O)COc1ccccc1Br 34a_100000181306_100000747449 [0,2,0,0,0,0|1,0,1]=4 1320 B13R1.528 COC(=O)COc1ccccc1Br 7a_100000181306_100000747449 [0,2,0,0,0,0|1,0,1]=4 1321 B13R1.528 COC(=O)COc1ccccc1C 34a_100000210338_100000747449 [0,2,0,0,0,0|1,0,1]=4 1322 B13R1.528 COC(=O)COc1ccccc1C 7a_100000210338_100000747449 [0,2,0,0,0,0|1,0,1]=4 1323 B13R1.528 COC(=O)COc1ccccc1Cl 34a_100000210172_100000747449 [0,2,0,0,0,0|1,0,1]=4 1324 B13R1.528 COC(=O)COc1ccccc1Cl 7a_100000210172_100000747449 [0,2,0,0,0,0|1,0,1]=4 1325 B13R1.528 COC(=O)COc1ccccc1F 34a_100000210171_100000747449 [0,2,0,0,0,0|1,0,1]=4 1326 B13R1.528 COC(=O)COc1ccccc1F 7a_100000210171_100000747449 [0,2,0,0,0,0|1,0,1]=4 1327 B13R1.528 COC(=O)COc1ccccc1I 34a_100000739446_100000747449 [0,2,0,0,0,0|1,0,1]=4 1328 B13R1.528 COC(=O)COc1ccccc1I 7a_100000739446_100000747449 [0,2,0,0,0,0|1,0,1]=4 1329 B13R1.528 COC(=O)COc1ccccc1N 34a_100000185747_100000747449 [0,2,0,0,0,0|1,0,1]=4 1330 B13R1.528 COC(=O)COc1ccccc1N 7a_100000185747_100000747449 [0,2,0,0,0,0|1,0,1]=4 1331 B13R1.528 COC(=O)COc1ccccc1O 271570a_203496583355_200000173920 [0,2,0,0,0,0|1,0,1]=4 1332 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000695589_100000747449 [0,2,0,0,0,0|1,0,1]=4 1333 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000747449_100000695589 [0,2,0,0,0,0|1,0,1]=4 1334 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000210755_100000747449 [0,2,0,0,0,0|1,0,1]=4 1335 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000747449_100000210755 [0,2,0,0,0,0|1,0,1]=4 1336 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000747449_100000764095 [0,2,0,0,0,0|1,0,1]=4 1337 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000764095_100000747449 [0,2,0,0,0,0|1,0,1]=4 1338 B13R1.528 COC(=O)CSc1ccccc1F 62a_100000747449_100011215700 [0,2,0,0,0,0|1,0,1]=4 1339 B13R1.528 COC(=O)CSc1ccccc1F 62a_100011215700_100000747449 [0,2,0,0,0,0|1,0,1]=4 1340 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000210017_100000747449 [0,2,0,0,0,0|1,0,1]=4 1341 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000747449_100000210017 [0,2,0,0,0,0|1,0,1]=4 1342 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000739446_100000747449 [0,2,0,0,0,0|1,0,1]=4 1343 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000747449_100000739446 [0,2,0,0,0,0|1,0,1]=4 1344 B13R1.528 Cc1ccccc1CCC(=O)CO 1458a_100000210174_100011713688 [0,2,0,0,0,0|0,0,2]=4 1345 B13R1.528 Cc1ccccc1CNC(=O)CO 240690a_100000174972_100000210174 [0,2,0,0,0,0|1,0,1]=4 1346 B13R1.528 Cc1ccccc1CNC(=O)CO 527a_100000174972_100000210174 [0,2,0,0,0,0|1,0,1]=4 1347 B13R1.528 Cc1ccccc1NNC(=O)CO 22a_100000184220_100000210174 [0,2,0,0,0,0|2,0,0]=4 1348 B13R1.528 O=C(C#Cc1ccccc1F)CF 1458a_100011892747_100015361967 [0,2,0,0,0,0|1,0,0]=3 1349 B13R1.528 O=C(CO)CCc1ccccc1Br 1458a_100000210174_100012161201 [0,2,0,0,0,0|0,0,2]=4 1350 B13R1.528 O=C(CO)CCc1ccccc1Cl 1458a_100000210174_100011713703 [0,2,0,0,0,0|0,0,2]=4 1351 B13R1.528 O=C(CO)CCc1ccccc1F 1458a_100000210174_100000720011 [0,2,0,0,0,0|0,0,2]=4 1352 B13R1.528 O=C(CO)CCc1ccccc1O 1458a_100000210174_100000722297 [0,2,0,0,0,0|0,0,2]=4 1353 B13R1.528 O=C(CO)NCc1ccccc1Br 240690a_100000689332_100000210174 [0,2,0,0,0,0|1,0,1]=4 1354 B13R1.528 O=C(CO)NCc1ccccc1Br 527a_100000689332_100000210174 [0,2,0,0,0,0|1,0,1]=4 1355 B13R1.528 O=C(CO)NCc1ccccc1Cl 240690a_100000174879_100000210174 [0,2,0,0,0,0|1,0,1]=4 1356 B13R1.528 O=C(CO)NCc1ccccc1Cl 527a_100000174879_100000210174 [0,2,0,0,0,0|1,0,1]=4 1357 B13R1.528 O=C(CO)NCc1ccccc1F 240690a_100000174869_100000210174 [0,2,0,0,0,0|1,0,1]=4 1358 B13R1.528 O=C(CO)NCc1ccccc1F 527a_100000174869_100000210174 [0,2,0,0,0,0|1,0,1]=4 1359 B13R1.528 O=C(CO)NCc1ccccc1I 240690a_100015347259_100000210174 [0,2,0,0,0,0|1,0,1]=4 1360 B13R1.528 O=C(CO)NCc1ccccc1I 527a_100015347259_100000210174 [0,2,0,0,0,0|1,0,1]=4 1361 B13R1.528 O=C(CO)NCc1ccccc1O 240690a_100000185550_100000210174 [0,2,0,0,0,0|1,0,1]=4 1362 B13R1.528 O=C(CO)NCc1ccccc1O 527a_100000185550_100000210174 [0,2,0,0,0,0|1,0,1]=4 1363 B13R1.528 O=C(CO)NNc1ccccc1Br 22a_100000241748_100000210174 [0,2,0,0,0,0|2,0,0]=4 1364 B13R1.528 O=C(CO)NNc1ccccc1Cl 22a_100000683529_100000210174 [0,2,0,0,0,0|2,0,0]=4 1365 B13R1.528 O=C(CO)NNc1ccccc1F 22a_100000239246_100000210174 [0,2,0,0,0,0|2,0,0]=4 1366 B13R1.528 O=C(CO)NNc1ccccc1I 22a_100011218156_100000210174 [0,2,0,0,0,0|2,0,0]=4 1367 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 269956a_100000189636_200000210301 [0,2,0,0,0,0|1,0,1]=4 1368 B13R1.152 CC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000189636_200025704644 [0,2,0,0,0,0|1,0,1]=4 1369 B13R1.147 CN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200000210301 [0,2,0,0,0,0|1,0,1]=4 1370 B13R1.147 CN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200000210301 [0,2,0,0,0,0|1,0,1]=4 1371 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200025704644 [0,2,0,0,0,0|1,0,1]=4 1372 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200025704644 [0,2,0,0,0,0|1,0,1]=4 1373 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200000210301 [0,2,0,0,0,0|1,0,1]=4 1374 B13R1.201 CN(CC(=O)O)c1ccccc1F 269956a_200011202418_200000210301 [0,2,0,0,0,0|1,0,1]=4 1375 B13R1.201 Cc1ccccc1N(C)CC(=O)O 269956a_200011202413_200000210301 [0,2,0,0,0,0|1,0,1]=4 1376 B13R1.201 Cc1ccccc1N([13CH3])CC(=O)O 269956a_200011202413_200025704644 [0,2,0,0,0,0|1,0,1]=4 1377 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200025704644 [0,2,0,0,0,0|1,0,1]=4 1378 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1F 269956a_200011202418_200025704644 [0,2,0,0,0,0|1,0,1]=4 1379 B13R1.713 CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210202 [0,2,0,0,0,0|1,0,1]=4 1380 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [0,2,0,0,0,0|0,0,2]=4 1381 B13R1.713 O=C(O)CN(CF)c1ccccc1 269956a_100000212060_100015361967 [0,2,0,0,0,0|1,0,1]=4 1382 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [0,2,0,0,0,0|0,0,2]=4 1383 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,1,0,0|1,0,1]=4 1384 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,1,0,0|1,0,1]=4 1385 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,1,0,0|2,0,0]=4 1386 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [0,0,0,1,1,0|1,0,1]=4 1387 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [0,0,0,1,1,0|0,0,2]=4 1388 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [0,0,0,1,1,0|0,1,1]=4 1389 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [0,0,0,1,1,0|2,0,0]=4 1390 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [0,0,0,1,1,0|1,1,0]=4 1391 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [0,1,0,1,0,0|0,0,2]=4 1392 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [0,1,0,1,0,0|1,0,1]=4 1393 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [0,1,0,1,0,0|1,0,1]=4 1394 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,1,0,1,0,0|0,0,2]=4 1395 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [0,1,0,1,0,0|0,0,2]=4 1396 B13R2.3683 O=C1CCc2cc(ccc2O1)O 271570a_203496583355_100010179853 [0,1,0,1,0,0|0,0,2]=4 1397 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [0,1,0,1,0,0|0,0,2]=4 1398 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,2,0|2,0,0]=4 1399 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,2,0|1,0,0]=3 1400 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,2,0|1,0,0]=3 1401 B13R1.337 CC(=O)NCC#Cc1ccccc1 11a_100000735379_100015343762 [0,0,0,0,0,2|1,0,0]=3 1402 B13R1.337 CC(=O)NCC#Cc1ccccc1 1626a_100000735379_100015343762 [0,0,0,0,0,2|1,0,0]=3 1403 B13R1.337 CC(=O)NCC#Cc1ccccc1 240690a_100000735379_100015343762 [0,0,0,0,0,2|1,0,0]=3 1404 B13R1.337 CC(=O)NCC#Cc1ccccc1 527a_100000735379_100103153847 [0,0,0,0,0,2|1,0,0]=3 1405 B13R1.337 O=C(O)CNCCc1ccccc1 269956a_100016091260_100000765856 [0,0,0,0,0,2|0,0,2]=4 1406 B13R1.337 O=C(O)CNCSc1ccccc1 269956a_100016091260_100011218342 [0,0,0,0,0,2|0,0,2]=4 1407 B13R1.337 O=C(O)CONCc1ccccc1 269956a_100000106656_100015291786 [0,0,0,0,0,2|0,0,2]=4