0 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.91 C=C(C)COc1cccnc1 34a_100000210849_100000748629 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.91 C=C(C)COc1cccnc1 7a_100000210849_100000748629 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 C=C(C)COc1ccncc1 34a_100000212176_100000748629 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.91 C=C(C)COc1ccnnc1 34a_100015204005_100000748629 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.91 C=C(C)COc1cncnc1 7a_100000754086_100000748629 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,0,0,0,0,0|2,1,0]=3 9 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,0,0,0,0,0|2,1,0]=3 10 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [0,0,0,0,0,0|3,1,0]=4 11 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [0,0,0,0,0,0|3,1,0]=4 12 B11R1.91 C=C(C)CSc1cccnc1 62a_100000210063_100000211660 [0,0,0,0,0,0|3,1,0]=4 13 B11R1.91 C=C(C)CSc1cccnc1 62a_100000748629_100000210063 [0,0,0,0,0,0|3,1,0]=4 14 B11R1.91 C=C(C)CSc1ccncc1 62a_100000728582_100000211660 [0,0,0,0,0,0|3,1,0]=4 15 B11R1.91 C=C(C)CSc1ccncc1 62a_100000748629_100000728582 [0,0,0,0,0,0|3,1,0]=4 16 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.91 C=C(F)COc1cccnc1 34a_100000210849_100009893438 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.91 C=C(F)COc1cccnc1 7a_100000210849_100000042424 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.91 C=C(F)COc1ccncc1 34a_100000212176_100009893438 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.91 C=C(F)COc1ccnnc1 34a_100015204005_100009893438 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.91 C=C(F)COc1cncnc1 7a_100000754086_100000042424 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,0,0,0,0,0|2,1,0]=3 25 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,0,0,0,0,0|2,1,0]=3 26 B11R1.91 C=C(F)CSc1ccccn1 62a_100000042424_100011216584 [0,0,0,0,0,0|3,1,0]=4 27 B11R1.91 C=C(F)CSc1ccccn1 62a_100011216584_100000042424 [0,0,0,0,0,0|3,1,0]=4 28 B11R1.91 C=C(F)CSc1cccnc1 62a_100000042424_100000210063 [0,0,0,0,0,0|3,1,0]=4 29 B11R1.91 C=C(F)CSc1cccnc1 62a_100000210063_100000042424 [0,0,0,0,0,0|3,1,0]=4 30 B11R1.91 C=C(F)CSc1ccncc1 62a_100000042424_100000728582 [0,0,0,0,0,0|3,1,0]=4 31 B11R1.91 C=C(F)CSc1ccncc1 62a_100000728582_100000042424 [0,0,0,0,0,0|3,1,0]=4 32 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,0|2,0,1]=3 33 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,0|2,0,1]=3 35 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,0|3,0,0]=3 42 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,0|3,0,0]=3 44 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,0|1,0,0]=1 47 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,0|2,0,0]=2 48 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,0|2,0,0]=2 49 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,0|1,1,0]=2 50 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,0|2,1,0]=3 51 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,0,0|2,1,0]=3 52 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,0|4,0,0]=4 62 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,0,0,0,0,0|4,0,0]=4 70 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [0,0,0,0,0,0|4,0,0]=4 71 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [0,0,0,0,0,0|2,0,1]=3 73 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [0,0,0,0,0,0|2,0,1]=3 74 B11R1.91 CC(C)COc1cccnc1 34a_100000210849_100000210624 [0,0,0,0,0,0|3,0,1]=4 75 B11R1.91 CC(C)COc1cccnc1 7a_100000210849_100000210760 [0,0,0,0,0,0|3,0,1]=4 76 B11R1.91 CC(C)COc1ccncc1 34a_100000212176_100000210624 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [0,0,0,0,0,0|2,1,1]=4 78 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [0,0,0,0,0,0|2,1,1]=4 79 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [0,0,0,0,0,0|2,0,2]=4 80 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,0,0,0,0,0|2,0,1]=3 81 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,0,0,0,0,0|1,0,1]=2 82 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,0,0,0,0,0|1,0,1]=2 83 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [0,0,0,0,0,0|2,0,1]=3 84 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [0,0,0,0,0,0|2,0,1]=3 85 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [0,0,0,0,0,0|2,0,1]=3 86 B11R1.91 CC(O)COc1ccnnc1 34a_100015204005_100011218427 [0,0,0,0,0,0|3,0,1]=4 87 B11R1.91 CC(O)COc1cncnc1 7a_100000754086_100011218427 [0,0,0,0,0,0|3,0,1]=4 88 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,0,0,0,0,0|1,1,1]=3 89 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,0,0,0,0,0|1,1,1]=3 90 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [0,0,0,0,0,0|2,1,1]=4 91 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [0,0,0,0,0,0|2,1,1]=4 92 B11R1.91 CC(O)CSc1cccnc1 62a_100000210063_100011218427 [0,0,0,0,0,0|2,1,1]=4 93 B11R1.91 CC(O)CSc1cccnc1 62a_100011218427_100000210063 [0,0,0,0,0,0|2,1,1]=4 94 B11R1.91 CC(O)CSc1ccncc1 62a_100000728582_100011218427 [0,0,0,0,0,0|2,1,1]=4 95 B11R1.91 CC(O)CSc1ccncc1 62a_100011218427_100000728582 [0,0,0,0,0,0|2,1,1]=4 96 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [0,0,0,0,0,0|3,1,0]=4 101 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [0,0,0,0,0,0|3,1,0]=4 102 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,0,0,0,0,0|4,0,0]=4 104 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,0,0,0,0,0|2,0,1]=3 105 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,0,0,0,0,0|1,0,1]=2 106 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,0,0,0,0,0|1,0,1]=2 107 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [0,0,0,0,0,0|2,0,1]=3 108 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [0,0,0,0,0,0|2,0,1]=3 109 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [0,0,0,0,0,0|2,0,1]=3 110 B11R1.91 C[C@@H](O)COc1ccnnc1 34a_100015204005_100009817552 [0,0,0,0,0,0|3,0,1]=4 111 B11R1.91 C[C@@H](O)COc1cncnc1 7a_100000754086_100009817552 [0,0,0,0,0,0|3,0,1]=4 112 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,0,0,0,0,0|1,1,1]=3 113 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,0,0,0,0,0|1,1,1]=3 114 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [0,0,0,0,0,0|2,1,1]=4 115 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [0,0,0,0,0,0|2,1,1]=4 116 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100000210063_100009817552 [0,0,0,0,0,0|2,1,1]=4 117 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100009817552_100000210063 [0,0,0,0,0,0|2,1,1]=4 118 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100000728582_100009817552 [0,0,0,0,0,0|2,1,1]=4 119 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100009817552_100000728582 [0,0,0,0,0,0|2,1,1]=4 120 B11R1.91 FC(F)CNc1ccccc1 34a_100000106764_100011934356 [0,0,0,0,0,0|3,0,1]=4 121 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [0,0,0,0,0,0|2,0,1]=3 122 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [0,0,0,0,0,0|2,0,1]=3 123 B11R1.91 FC(F)COc1cccnc1 34a_100000210849_100011934356 [0,0,0,0,0,0|3,0,1]=4 124 B11R1.91 FC(F)COc1cccnc1 7a_100000210849_100011934356 [0,0,0,0,0,0|3,0,1]=4 125 B11R1.91 FC(F)COc1ccncc1 34a_100000212176_100011934356 [0,0,0,0,0,0|3,0,1]=4 126 B11R1.91 FC(F)CSc1ccccc1 62a_100000719477_100011934356 [0,0,0,0,0,0|2,1,1]=4 127 B11R1.91 FC(F)CSc1ccccc1 62a_100011934356_100000041952 [0,0,0,0,0,0|2,1,1]=4 128 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,0,0|2,0,0]=2 129 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,0,0|1,0,0]=1 130 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,0,0|1,0,0]=1 131 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,0,0,0,0,0|2,0,0]=2 132 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,0,0,0,0,0|2,0,0]=2 133 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,0,0,0,0,0|2,0,0]=2 134 B11R1.91 NC(=O)COc1ccnnc1 34a_100015204005_100000187820 [0,0,0,0,0,0|3,0,0]=3 135 B11R1.91 NC(=O)COc1cncnc1 7a_100000754086_100000187820 [0,0,0,0,0,0|3,0,0]=3 136 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,0,0|1,1,0]=2 137 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,0,0|1,1,0]=2 138 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,0,0|2,1,0]=3 139 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,0,0|2,1,0]=3 140 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,0,0,0,0,0|2,1,0]=3 141 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,0,0,0,0,0|2,1,0]=3 142 B11R1.91 NC(=O)CSc1cccnn1 62a_100000747473_100016991348 [0,0,0,0,0,0|3,1,0]=4 143 B11R1.91 NC(=O)CSc1cccnn1 62a_100016991348_100000747473 [0,0,0,0,0,0|3,1,0]=4 144 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,0,0,0,0,0|2,1,0]=3 145 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,0,0,0,0,0|2,1,0]=3 146 B11R1.91 NC(=O)CSc1ccncn1 62a_100000703185_100000747473 [0,0,0,0,0,0|3,1,0]=4 147 B11R1.91 NC(=O)CSc1ccncn1 62a_100000747473_100000703185 [0,0,0,0,0,0|3,1,0]=4 148 B11R1.91 NC(=O)CSc1ccnnc1 62a_100000732662_100000747473 [0,0,0,0,0,0|3,1,0]=4 149 B11R1.91 NC(=O)CSc1ccnnc1 62a_100000747473_100000732662 [0,0,0,0,0,0|3,1,0]=4 150 B11R1.91 NC(=O)CSc1cnccn1 62a_100000211759_100000747473 [0,0,0,0,0,0|3,1,0]=4 151 B11R1.91 NC(=O)CSc1cnccn1 62a_100000747473_100000211759 [0,0,0,0,0,0|3,1,0]=4 152 B11R1.91 NC(=O)CSc1cncnc1 62a_100000747473_100011206942 [0,0,0,0,0,0|3,1,0]=4 153 B11R1.91 NC(=O)CSc1cncnc1 62a_100011206942_100000747473 [0,0,0,0,0,0|3,1,0]=4 154 B11R1.91 NC(=O)CSc1ncccn1 62a_100000211032_100000747473 [0,0,0,0,0,0|3,1,0]=4 155 B11R1.91 NC(=O)CSc1ncccn1 62a_100000747473_100000211032 [0,0,0,0,0,0|3,1,0]=4 156 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,0,0|1,0,1]=2 157 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,0,0|0,0,1]=1 158 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,0,0|1,0,1]=2 159 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,0,0,0,0,0|1,0,1]=2 160 B11R1.91 O=C([O-])COc1ccnnc1 34a_100015204005_100020667443 [0,0,0,0,0,0|2,0,1]=3 161 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,0,0|0,1,1]=2 162 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,0,0|0,1,1]=2 163 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,0|1,1,1]=3 164 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,0|1,1,1]=3 165 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,0,0|1,1,1]=3 166 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,0,0|1,1,1]=3 167 B11R1.91 O=C([O-])CSc1cccnn1 62a_100016991348_100020667443 [0,0,0,0,0,0|2,1,1]=4 168 B11R1.91 O=C([O-])CSc1cccnn1 62a_100020667443_100016991348 [0,0,0,0,0,0|2,1,1]=4 169 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,0,0,0,0,0|1,1,1]=3 170 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,0,0,0,0,0|1,1,1]=3 171 B11R1.91 O=C([O-])CSc1ccncn1 62a_100000703185_100020667443 [0,0,0,0,0,0|2,1,1]=4 172 B11R1.91 O=C([O-])CSc1ccncn1 62a_100020667443_100000703185 [0,0,0,0,0,0|2,1,1]=4 173 B11R1.91 O=C([O-])CSc1ccnnc1 62a_100000732662_100020667443 [0,0,0,0,0,0|2,1,1]=4 174 B11R1.91 O=C([O-])CSc1ccnnc1 62a_100020667443_100000732662 [0,0,0,0,0,0|2,1,1]=4 175 B11R1.91 O=C([O-])CSc1cnccn1 62a_100000211759_100020667443 [0,0,0,0,0,0|2,1,1]=4 176 B11R1.91 O=C([O-])CSc1cnccn1 62a_100020667443_100000211759 [0,0,0,0,0,0|2,1,1]=4 177 B11R1.91 O=C([O-])CSc1cncnc1 62a_100011206942_100020667443 [0,0,0,0,0,0|2,1,1]=4 178 B11R1.91 O=C([O-])CSc1cncnc1 62a_100020667443_100011206942 [0,0,0,0,0,0|2,1,1]=4 179 B11R1.91 O=C([O-])CSc1ncccn1 62a_100000211032_100020667443 [0,0,0,0,0,0|2,1,1]=4 180 B11R1.91 O=C([O-])CSc1ncccn1 62a_100020667443_100000211032 [0,0,0,0,0,0|2,1,1]=4 181 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,0,0,0,0,0|2,0,1]=3 182 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,0,0,0,0,0|1,0,1]=2 183 B11R1.91 O=[N+]([O-])COc1cccnc1 34a_100000210849_100000761209 [0,0,0,0,0,0|2,0,1]=3 184 B11R1.91 O=[N+]([O-])COc1ccncc1 34a_100000212176_100000761209 [0,0,0,0,0,0|2,0,1]=3 185 B11R1.91 O=[N+]([O-])COc1ccnnc1 34a_100015204005_100000761209 [0,0,0,0,0,0|3,0,1]=4 186 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,0,0,0,0,0|1,1,1]=3 187 B11R1.91 O=[N+]([O-])CSc1ccccn1 62a_100011216584_100000761209 [0,0,0,0,0,0|2,1,1]=4 188 B11R1.91 O=[N+]([O-])CSc1cccnc1 62a_100000210063_100000761209 [0,0,0,0,0,0|2,1,1]=4 189 B11R1.91 O=[N+]([O-])CSc1ccncc1 62a_100000728582_100000761209 [0,0,0,0,0,0|2,1,1]=4 190 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,0|2,0,1]=3 191 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,0|3,0,1]=4 192 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,0|2,0,1]=3 193 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,0|3,0,1]=4 194 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,0,0,0,0,0|3,0,1]=4 195 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,0,0,0,0,0|3,0,1]=4 196 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,0|2,0,0]=2 197 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,0|3,0,0]=3 198 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,0|3,0,0]=3 199 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,0,0|3,0,0]=3 200 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,0|1,0,0]=1 201 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,0|2,0,0]=2 202 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,0|2,0,0]=2 203 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,0|1,1,0]=2 204 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,0|2,1,0]=3 205 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,0,0|2,1,0]=3 206 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [1,0,0,0,0,0|2,0,1]=4 207 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [1,0,0,0,0,0|1,0,1]=3 208 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [1,0,0,0,0,0|1,0,1]=3 209 B10R1.17 C#CCOc1cccnc1 34a_100000210849_100000184674 [1,0,0,0,0,0|2,0,1]=4 210 B10R1.17 C#CCOc1cccnc1 7a_100000210849_100000038162 [1,0,0,0,0,0|2,0,1]=4 211 B10R1.17 C#CCOc1ccncc1 34a_100000212176_100000184674 [1,0,0,0,0,0|2,0,1]=4 212 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [1,0,0,0,0,0|1,1,1]=4 213 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,0,0,0,0,0|2,0,0]=3 214 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,0,0,0,0|1,0,0]=2 215 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,0,0,0,0|1,0,0]=2 216 B10R1.17 C=CCOc1cccnc1 34a_100000210849_100015514636 [1,0,0,0,0,0|2,0,0]=3 217 B10R1.17 C=CCOc1cccnc1 7a_100000210849_100015514636 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.17 C=CCOc1ccncc1 34a_100000212176_100015514636 [1,0,0,0,0,0|2,0,0]=3 219 B10R1.17 C=CCOc1ccnnc1 34a_100015204005_100015514636 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.17 C=CCOc1cncnc1 7a_100000754086_100015514636 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,0,0,0,0,0|1,1,0]=3 222 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,0,0,0,0,0|1,1,0]=3 223 B10R1.17 C=CCSc1ccccn1 62a_100000210623_100011216584 [1,0,0,0,0,0|2,1,0]=4 224 B10R1.17 C=CCSc1ccccn1 62a_100011216584_100000210623 [1,0,0,0,0,0|2,1,0]=4 225 B10R1.17 C=CCSc1cccnc1 62a_100000210063_100000210623 [1,0,0,0,0,0|2,1,0]=4 226 B10R1.17 C=CCSc1cccnc1 62a_100000210623_100000210063 [1,0,0,0,0,0|2,1,0]=4 227 B10R1.17 C=CCSc1ccncc1 62a_100000210623_100000728582 [1,0,0,0,0,0|2,1,0]=4 228 B10R1.17 C=CCSc1ccncc1 62a_100000728582_100000210623 [1,0,0,0,0,0|2,1,0]=4 229 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,0,0,0|2,0,1]=4 231 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,0,0,0,0,0|2,0,1]=4 232 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,0,0,0,0|1,0,1]=3 233 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,0,0,0,0|1,0,1]=3 234 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,0,0,0,0,0|2,0,1]=4 235 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,0,0,0,0,0|2,0,1]=4 236 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [1,0,0,0,0,0|2,0,1]=4 237 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,0,0,0,0,0|1,1,1]=4 238 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,0,0,0,0,0|1,1,1]=4 239 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,0,0,0,0,0|2,1,0]=4 245 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,0,0,0,0,0|2,1,0]=4 249 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,0,0,0,0,0|2,1,0]=4 250 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,0,0,0,0,0|2,0,0]=3 254 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,0,0,0,0,0|2,1,0]=4 257 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,0,0,0,0,0|2,1,0]=4 258 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,0,0,0,0,0|2,1,0]=4 259 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,0,0,0,0,0|2,1,0]=4 260 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,0,0,0,0,0|2,0,1]=4 261 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,0,0,0,0,0|1,0,1]=3 262 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,0,0,0,0,0|1,0,1]=3 263 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [1,0,0,0,0,0|2,0,1]=4 264 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [1,0,0,0,0,0|2,0,1]=4 265 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [1,0,0,0,0,0|2,0,1]=4 266 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,0,0,0,0,0|1,1,1]=4 267 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,0,0,0,0,0|1,1,1]=4 268 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [1,0,0,0,0,0|1,0,1]=3 269 B10R1.17 N#CCOc1cccnc1 7a_100000210849_100011215382 [1,0,0,0,0,0|2,0,1]=4 270 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [1,0,0,0,0,0|1,1,1]=4 271 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [1,0,0,0,0,0|1,1,1]=4 272 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,0,0,0,0|1,0,0]=2 273 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,0,0,0,0|0,0,0]=1 274 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,0,0,0,0|0,0,0]=1 275 B10R1.17 O=CCOc1cccnc1 34a_100000210849_200009817547 [1,0,0,0,0,0|1,0,0]=2 276 B10R1.17 O=CCOc1cccnc1 7a_100000210849_200015260668 [1,0,0,0,0,0|1,0,0]=2 277 B10R1.17 O=CCOc1ccncc1 34a_100000212176_200009817547 [1,0,0,0,0,0|1,0,0]=2 278 B10R1.17 O=CCOc1ccnnc1 34a_100015204005_200009817547 [1,0,0,0,0,0|2,0,0]=3 279 B10R1.17 O=CCOc1cncnc1 7a_100000754086_200015260668 [1,0,0,0,0,0|2,0,0]=3 280 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,0,0,0,0|0,1,0]=2 281 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,0,0,0,0|0,1,0]=2 282 B10R1.17 O=CCSc1ccccn1 62a_100011216584_200015260668 [1,0,0,0,0,0|1,1,0]=3 283 B10R1.17 O=CCSc1ccccn1 62a_200015260668_100011216584 [1,0,0,0,0,0|1,1,0]=3 284 B10R1.17 O=CCSc1cccnc1 62a_100000210063_200015260668 [1,0,0,0,0,0|1,1,0]=3 285 B10R1.17 O=CCSc1cccnc1 62a_200015260668_100000210063 [1,0,0,0,0,0|1,1,0]=3 286 B10R1.17 O=CCSc1cccnn1 62a_100016991348_200015260668 [1,0,0,0,0,0|2,1,0]=4 287 B10R1.17 O=CCSc1cccnn1 62a_200015260668_100016991348 [1,0,0,0,0,0|2,1,0]=4 288 B10R1.17 O=CCSc1ccncc1 62a_100000728582_200015260668 [1,0,0,0,0,0|1,1,0]=3 289 B10R1.17 O=CCSc1ccncc1 62a_200015260668_100000728582 [1,0,0,0,0,0|1,1,0]=3 290 B10R1.17 O=CCSc1ccncn1 62a_100000703185_200015260668 [1,0,0,0,0,0|2,1,0]=4 291 B10R1.17 O=CCSc1ccncn1 62a_200015260668_100000703185 [1,0,0,0,0,0|2,1,0]=4 292 B10R1.17 O=CCSc1ccnnc1 62a_100000732662_200015260668 [1,0,0,0,0,0|2,1,0]=4 293 B10R1.17 O=CCSc1ccnnc1 62a_200015260668_100000732662 [1,0,0,0,0,0|2,1,0]=4 294 B10R1.17 O=CCSc1cnccn1 62a_100000211759_200015260668 [1,0,0,0,0,0|2,1,0]=4 295 B10R1.17 O=CCSc1cnccn1 62a_200015260668_100000211759 [1,0,0,0,0,0|2,1,0]=4 296 B10R1.17 O=CCSc1cncnc1 62a_100011206942_200015260668 [1,0,0,0,0,0|2,1,0]=4 297 B10R1.17 O=CCSc1cncnc1 62a_200015260668_100011206942 [1,0,0,0,0,0|2,1,0]=4 298 B10R1.17 O=CCSc1ncccn1 62a_100000211032_200015260668 [1,0,0,0,0,0|2,1,0]=4 299 B10R1.17 O=CCSc1ncccn1 62a_200015260668_100000211032 [1,0,0,0,0,0|2,1,0]=4 300 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,0,0,0,0,0|1,0,1]=3 301 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,0,0,0,0,0|0,0,1]=2 302 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,0,0,0,0,0|0,0,1]=2 303 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [1,0,0,0,0,0|1,0,1]=3 304 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [1,0,0,0,0,0|1,0,1]=3 305 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [1,0,0,0,0,0|1,0,1]=3 306 B10R1.17 OCCOc1ccnnc1 34a_100015204005_100000211926 [1,0,0,0,0,0|2,0,1]=4 307 B10R1.17 OCCOc1cncnc1 7a_100000754086_100000211926 [1,0,0,0,0,0|2,0,1]=4 308 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,0,0,0,0,0|0,1,1]=3 309 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,0,0,0,0,0|0,1,1]=3 310 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [1,0,0,0,0,0|1,1,1]=4 311 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [1,0,0,0,0,0|1,1,1]=4 312 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [1,0,0,0,0,0|1,1,1]=4 313 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [1,0,0,0,0,0|1,1,1]=4 314 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [1,0,0,0,0,0|1,1,1]=4 315 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [1,0,0,0,0,0|1,1,1]=4 316 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,0,0,0,0,0|3,0,0]=4 322 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,0,0,0,0,0|2,1,0]=4 323 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,0,0,0,0,0|2,1,0]=4 324 B12R1.21 C=C(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748629 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.21 C=C(C)CNc1ccc(cc1)Br 34a_100000210018_100000748629 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.21 C=C(C)CNc1ccc(cc1)C 34a_100000124888_100000748629 [0,1,0,0,0,0|3,0,0]=4 327 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748629 [0,1,0,0,0,0|3,0,0]=4 328 B12R1.21 C=C(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748629 [0,1,0,0,0,0|3,0,0]=4 329 B12R1.21 C=C(C)CNc1ccc(cc1)F 34a_100000185862_100000748629 [0,1,0,0,0,0|3,0,0]=4 330 B12R1.21 C=C(C)CNc1ccc(cc1)I 34a_100000185761_100000748629 [0,1,0,0,0,0|3,0,0]=4 331 B12R1.21 C=C(C)CNc1ccc(cc1)O 34a_100000185829_100000748629 [0,1,0,0,0,0|3,0,0]=4 332 B12R1.21 C=C(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000748629 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.21 C=C(C)COc1ccc(cc1)Br 34a_100000185759_100000748629 [0,1,0,0,0,0|2,0,0]=3 334 B12R1.21 C=C(C)COc1ccc(cc1)Br 7a_100000185759_100000748629 [0,1,0,0,0,0|2,0,0]=3 335 B12R1.21 C=C(C)COc1ccc(cc1)C 34a_100000210336_100000748629 [0,1,0,0,0,0|2,0,0]=3 336 B12R1.21 C=C(C)COc1ccc(cc1)C 7a_100000210336_100000748629 [0,1,0,0,0,0|2,0,0]=3 337 B12R1.21 C=C(C)COc1ccc(cc1)Cl 34a_100000210216_100000748629 [0,1,0,0,0,0|2,0,0]=3 338 B12R1.21 C=C(C)COc1ccc(cc1)Cl 7a_100000210216_100000748629 [0,1,0,0,0,0|2,0,0]=3 339 B12R1.21 C=C(C)COc1ccc(cc1)F 34a_100000210339_100000748629 [0,1,0,0,0,0|2,0,0]=3 340 B12R1.21 C=C(C)COc1ccc(cc1)I 34a_100000212066_100000748629 [0,1,0,0,0,0|2,0,0]=3 341 B12R1.21 C=C(C)COc1ccc(cc1)I 7a_100000212066_100000748629 [0,1,0,0,0,0|2,0,0]=3 342 B12R1.21 C=C(C)COc1ccc(cc1)N 34a_100000185829_100000748629 [0,1,0,0,0,0|2,0,0]=3 343 B12R1.21 C=C(C)COc1ccc(cn1)C 34a_100000759353_100000748629 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.21 C=C(C)COc1ccc(cn1)Cl 34a_100011215309_100000748629 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.21 C=C(C)COc1ccc(cn1)F 34a_100000742473_100000748629 [0,1,0,0,0,0|3,0,0]=4 346 B12R1.21 C=C(C)COc1ccc(cn1)N 34a_100000729260_100000748629 [0,1,0,0,0,0|3,0,0]=4 347 B12R1.21 C=C(C)COc1ccc(nc1)Br 34a_100000685995_100000748629 [0,1,0,0,0,0|3,0,0]=4 348 B12R1.21 C=C(C)COc1ccc(nc1)Br 7a_100000685995_100000748629 [0,1,0,0,0,0|3,0,0]=4 349 B12R1.21 C=C(C)COc1ccc(nc1)C 34a_100000745506_100000748629 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.21 C=C(C)COc1ccc(nc1)C 7a_100000745506_100000748629 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.21 C=C(C)COc1ccc(nc1)Cl 34a_100000744096_100000748629 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.21 C=C(C)COc1ccc(nc1)Cl 7a_100000744096_100000748629 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.21 C=C(C)COc1ccc(nc1)F 34a_100000688820_100000748629 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.21 C=C(C)COc1ccc(nc1)F 7a_100000688820_100000748629 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.21 C=C(C)COc1ccc(nc1)I 34a_100000687607_100000748629 [0,1,0,0,0,0|3,0,0]=4 356 B12R1.21 C=C(C)COc1ccc(nc1)I 7a_100000687607_100000748629 [0,1,0,0,0,0|3,0,0]=4 357 B12R1.21 C=C(C)COc1ccc(nc1)N 34a_100015188713_100000748629 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.21 C=C(C)COc1ccc(nc1)N 7a_100015188713_100000748629 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000748629_100000752885 [0,1,0,0,0,0|2,1,0]=4 360 B12R1.21 C=C(C)CSc1ccc(cc1)Br 62a_100000752885_100000211660 [0,1,0,0,0,0|2,1,0]=4 361 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000186775_100000211660 [0,1,0,0,0,0|2,1,0]=4 362 B12R1.21 C=C(C)CSc1ccc(cc1)C 62a_100000748629_100000186775 [0,1,0,0,0,0|2,1,0]=4 363 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000748629_100000755918 [0,1,0,0,0,0|2,1,0]=4 364 B12R1.21 C=C(C)CSc1ccc(cc1)Cl 62a_100000755918_100000211660 [0,1,0,0,0,0|2,1,0]=4 365 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000211213_100000211660 [0,1,0,0,0,0|2,1,0]=4 366 B12R1.21 C=C(C)CSc1ccc(cc1)F 62a_100000748629_100000211213 [0,1,0,0,0,0|2,1,0]=4 367 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000185761_100000211660 [0,1,0,0,0,0|2,1,0]=4 368 B12R1.21 C=C(C)CSc1ccc(cc1)N 62a_100000748629_100000185761 [0,1,0,0,0,0|2,1,0]=4 369 B12R1.21 C=C(C)CSc1ccc(cc1)O 62a_100000748629_100000185759 [0,1,0,0,0,0|2,1,0]=4 370 B12R1.21 C=C(F)CNc1ccc(cc1)Br 2230a_100000210018_100009893438 [0,1,0,0,0,0|3,0,0]=4 371 B12R1.21 C=C(F)CNc1ccc(cc1)Br 34a_100000210018_100009893438 [0,1,0,0,0,0|3,0,0]=4 372 B12R1.21 C=C(F)CNc1ccc(cc1)C 34a_100000124888_100009893438 [0,1,0,0,0,0|3,0,0]=4 373 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 2230a_100000210052_100009893438 [0,1,0,0,0,0|3,0,0]=4 374 B12R1.21 C=C(F)CNc1ccc(cc1)Cl 34a_100000210052_100009893438 [0,1,0,0,0,0|3,0,0]=4 375 B12R1.21 C=C(F)CNc1ccc(cc1)F 34a_100000185862_100009893438 [0,1,0,0,0,0|3,0,0]=4 376 B12R1.21 C=C(F)CNc1ccc(cc1)I 34a_100000185761_100009893438 [0,1,0,0,0,0|3,0,0]=4 377 B12R1.21 C=C(F)CNc1ccc(cc1)O 34a_100000185829_100009893438 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.21 C=C(F)COc1ccc(=O)[nH]c1 34a_100000075641_100009893438 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.21 C=C(F)COc1ccc(cc1)Br 34a_100000185759_100009893438 [0,1,0,0,0,0|2,0,0]=3 380 B12R1.21 C=C(F)COc1ccc(cc1)Br 7a_100000185759_100000042424 [0,1,0,0,0,0|2,0,0]=3 381 B12R1.21 C=C(F)COc1ccc(cc1)C 34a_100000210336_100009893438 [0,1,0,0,0,0|2,0,0]=3 382 B12R1.21 C=C(F)COc1ccc(cc1)C 7a_100000210336_100000042424 [0,1,0,0,0,0|2,0,0]=3 383 B12R1.21 C=C(F)COc1ccc(cc1)Cl 34a_100000210216_100009893438 [0,1,0,0,0,0|2,0,0]=3 384 B12R1.21 C=C(F)COc1ccc(cc1)Cl 7a_100000210216_100000042424 [0,1,0,0,0,0|2,0,0]=3 385 B12R1.21 C=C(F)COc1ccc(cc1)F 34a_100000210339_100009893438 [0,1,0,0,0,0|2,0,0]=3 386 B12R1.21 C=C(F)COc1ccc(cc1)I 34a_100000212066_100009893438 [0,1,0,0,0,0|2,0,0]=3 387 B12R1.21 C=C(F)COc1ccc(cc1)I 7a_100000212066_100000042424 [0,1,0,0,0,0|2,0,0]=3 388 B12R1.21 C=C(F)COc1ccc(cc1)N 34a_100000185829_100009893438 [0,1,0,0,0,0|2,0,0]=3 389 B12R1.21 C=C(F)COc1ccc(cn1)C 34a_100000759353_100009893438 [0,1,0,0,0,0|3,0,0]=4 390 B12R1.21 C=C(F)COc1ccc(cn1)Cl 34a_100011215309_100009893438 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.21 C=C(F)COc1ccc(cn1)F 34a_100000742473_100009893438 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.21 C=C(F)COc1ccc(cn1)N 34a_100000729260_100009893438 [0,1,0,0,0,0|3,0,0]=4 393 B12R1.21 C=C(F)COc1ccc(nc1)Br 34a_100000685995_100009893438 [0,1,0,0,0,0|3,0,0]=4 394 B12R1.21 C=C(F)COc1ccc(nc1)Br 7a_100000685995_100000042424 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.21 C=C(F)COc1ccc(nc1)C 34a_100000745506_100009893438 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.21 C=C(F)COc1ccc(nc1)C 7a_100000745506_100000042424 [0,1,0,0,0,0|3,0,0]=4 397 B12R1.21 C=C(F)COc1ccc(nc1)Cl 34a_100000744096_100009893438 [0,1,0,0,0,0|3,0,0]=4 398 B12R1.21 C=C(F)COc1ccc(nc1)Cl 7a_100000744096_100000042424 [0,1,0,0,0,0|3,0,0]=4 399 B12R1.21 C=C(F)COc1ccc(nc1)F 34a_100000688820_100009893438 [0,1,0,0,0,0|3,0,0]=4 400 B12R1.21 C=C(F)COc1ccc(nc1)F 7a_100000688820_100000042424 [0,1,0,0,0,0|3,0,0]=4 401 B12R1.21 C=C(F)COc1ccc(nc1)I 34a_100000687607_100009893438 [0,1,0,0,0,0|3,0,0]=4 402 B12R1.21 C=C(F)COc1ccc(nc1)I 7a_100000687607_100000042424 [0,1,0,0,0,0|3,0,0]=4 403 B12R1.21 C=C(F)COc1ccc(nc1)N 34a_100015188713_100009893438 [0,1,0,0,0,0|3,0,0]=4 404 B12R1.21 C=C(F)COc1ccc(nc1)N 7a_100015188713_100000042424 [0,1,0,0,0,0|3,0,0]=4 405 B12R1.21 C=C(F)CSc1ccc(cc1)Br 62a_100000042424_100000752885 [0,1,0,0,0,0|2,1,0]=4 406 B12R1.21 C=C(F)CSc1ccc(cc1)Br 62a_100000752885_100000042424 [0,1,0,0,0,0|2,1,0]=4 407 B12R1.21 C=C(F)CSc1ccc(cc1)C 62a_100000042424_100000186775 [0,1,0,0,0,0|2,1,0]=4 408 B12R1.21 C=C(F)CSc1ccc(cc1)C 62a_100000186775_100000042424 [0,1,0,0,0,0|2,1,0]=4 409 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000042424_100000755918 [0,1,0,0,0,0|2,1,0]=4 410 B12R1.21 C=C(F)CSc1ccc(cc1)Cl 62a_100000755918_100000042424 [0,1,0,0,0,0|2,1,0]=4 411 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000042424_100000211213 [0,1,0,0,0,0|2,1,0]=4 412 B12R1.21 C=C(F)CSc1ccc(cc1)F 62a_100000211213_100000042424 [0,1,0,0,0,0|2,1,0]=4 413 B12R1.21 C=C(F)CSc1ccc(cc1)N 62a_100000042424_100000185761 [0,1,0,0,0,0|2,1,0]=4 414 B12R1.21 C=C(F)CSc1ccc(cc1)N 62a_100000185761_100000042424 [0,1,0,0,0,0|2,1,0]=4 415 B12R1.21 C=C(F)CSc1ccc(cc1)O 62a_100000042424_100000185759 [0,1,0,0,0,0|2,1,0]=4 416 B12R1.21 CC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_200016259395 [0,1,0,0,0,0|2,0,1]=4 417 B12R1.21 CC(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200000210301 [0,1,0,0,0,0|2,0,1]=4 418 B12R1.21 CC(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200000210301 [0,1,0,0,0,0|2,0,1]=4 419 B12R1.21 CC(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200000210301 [0,1,0,0,0,0|2,0,1]=4 420 B12R1.21 CC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200000210301 [0,1,0,0,0,0|2,0,1]=4 421 B12R1.21 CC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_200000210301 [0,1,0,0,0,0|2,0,1]=4 422 B12R1.21 CC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200000210301 [0,1,0,0,0,0|2,0,1]=4 423 B12R1.21 CC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200000210301 [0,1,0,0,0,0|2,0,1]=4 424 B12R1.21 CC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200000210301 [0,1,0,0,0,0|2,0,1]=4 425 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000070787_100011740612 [0,1,0,0,0,0|2,0,0]=3 426 B12R1.21 CC(=O)CCc1ccc(cc1)Br 1458a_100000217147_200000210301 [0,1,0,0,0,0|2,0,0]=3 427 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000070787_100011713686 [0,1,0,0,0,0|2,0,0]=3 428 B12R1.21 CC(=O)CCc1ccc(cc1)C 1458a_100000234883_200000210301 [0,1,0,0,0,0|2,0,0]=3 429 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000070787_100011713675 [0,1,0,0,0,0|2,0,0]=3 430 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200000210301 [0,1,0,0,0,0|2,0,0]=3 431 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000070787_100011217392 [0,1,0,0,0,0|2,0,0]=3 432 B12R1.21 CC(=O)CCc1ccc(cc1)F 1458a_100000198493_200000210301 [0,1,0,0,0,0|2,0,0]=3 433 B12R1.21 CC(=O)CCc1ccc(cc1)I 1458a_100011217499_200000210301 [0,1,0,0,0,0|2,0,0]=3 434 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000070787_100009816426 [0,1,0,0,0,0|2,0,0]=3 435 B12R1.21 CC(=O)CCc1ccc(cc1)O 1458a_100000742835_200000210301 [0,1,0,0,0,0|2,0,0]=3 436 B12R1.21 CC(=O)CCc1ccc(cc1)O 271570a_203496583355_100000723691 [0,1,0,0,0,0|2,0,0]=3 437 B12R1.21 CC(=O)COc1ccc(cc1)Br 1458a_100000182358_200000210301 [0,1,0,0,0,0|1,0,0]=2 438 B12R1.21 CC(=O)COc1ccc(cc1)C 1458a_100000182360_200000210301 [0,1,0,0,0,0|1,0,0]=2 439 B12R1.21 CC(=O)COc1ccc(cc1)Cl 1458a_100016990877_200000210301 [0,1,0,0,0,0|1,0,0]=2 440 B12R1.21 CC(=O)COc1ccc(cc1)F 1458a_100000184765_200000210301 [0,1,0,0,0,0|1,0,0]=2 441 B12R1.21 CC(=O)COc1ccc(cc1)I 1458a_100000184369_200000210301 [0,1,0,0,0,0|1,0,0]=2 442 B12R1.21 CC(=O)COc1ccc(cc1)O 1458a_100000031633_200000210301 [0,1,0,0,0,0|1,0,0]=2 443 B12R1.21 CC(=O)COc1ncc(cn1)Br 1458a_200012356291_200000210301 [0,1,0,0,0,0|3,0,0]=4 444 B12R1.21 CC(=O)CSc1ccc(cc1)Br 1458a_100000179496_200000210301 [0,1,0,0,0,0|1,1,0]=3 445 B12R1.21 CC(=O)CSc1ccc(cc1)C 1458a_100000179497_200000210301 [0,1,0,0,0,0|1,1,0]=3 446 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200000210301 [0,1,0,0,0,0|1,1,0]=3 447 B12R1.21 CC(=O)CSc1ccc(cc1)F 1458a_100000691584_200000210301 [0,1,0,0,0,0|1,1,0]=3 448 B12R1.21 CC(=O)NCc1ccc(cc1)Br 11a_100000174875_100015343762 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100015343762 [0,1,0,0,0,0|3,0,0]=4 450 B12R1.21 CC(=O)NCc1ccc(cc1)Br 240690a_100000174875_100015343762 [0,1,0,0,0,0|3,0,0]=4 451 B12R1.21 CC(=O)NCc1ccc(cc1)Br 527a_100000174875_100103153847 [0,1,0,0,0,0|3,0,0]=4 452 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,1,0,0,0,0|3,0,0]=4 453 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,1,0,0,0,0|3,0,0]=4 454 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,1,0,0,0,0|3,0,0]=4 455 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,1,0,0,0,0|3,0,0]=4 456 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 11a_100000174871_100015343762 [0,1,0,0,0,0|3,0,0]=4 457 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100015343762 [0,1,0,0,0,0|3,0,0]=4 458 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 240690a_100000174871_100015343762 [0,1,0,0,0,0|3,0,0]=4 459 B12R1.21 CC(=O)NCc1ccc(cc1)Cl 527a_100000174871_100103153847 [0,1,0,0,0,0|3,0,0]=4 460 B12R1.21 CC(=O)NCc1ccc(cc1)F 11a_100000174882_100015343762 [0,1,0,0,0,0|3,0,0]=4 461 B12R1.21 CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100015343762 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.21 CC(=O)NCc1ccc(cc1)F 240690a_100000174882_100015343762 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.21 CC(=O)NCc1ccc(cc1)F 527a_100000174882_100103153847 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.21 CC(=O)NCc1ccc(cc1)I 11a_100016989417_100015343762 [0,1,0,0,0,0|3,0,0]=4 465 B12R1.21 CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100015343762 [0,1,0,0,0,0|3,0,0]=4 466 B12R1.21 CC(=O)NCc1ccc(cc1)I 240690a_100016989417_100015343762 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.21 CC(=O)NCc1ccc(cc1)I 527a_100016989417_100103153847 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.21 CC(=O)NCc1ccc(cc1)O 240690a_100000185549_100015343762 [0,1,0,0,0,0|3,0,0]=4 469 B12R1.21 CC(=O)NCc1ccc(cc1)O 271570a_203496583355_200000685173 [0,1,0,0,0,0|3,0,0]=4 470 B12R1.21 CC(=O)NCc1ccc(cc1)O 527a_100000185549_100103153847 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.21 CC(=O)NNc1ccc(cc1)Br 22a_100000735608_100000070787 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [0,1,0,0,0,0|3,0,0]=4 473 B12R1.21 CC(=O)NNc1ccc(cc1)Cl 22a_100000683521_100000070787 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.21 CC(=O)NNc1ccc(cc1)F 22a_100000728448_100000070787 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.21 CC(=O)NNc1ccc(cc1)I 22a_100016988836_100000070787 [0,1,0,0,0,0|3,0,0]=4 476 B12R1.21 CC(=O)NNc1ccc(cc1)O 271570a_203496583355_200009815283 [0,1,0,0,0,0|3,0,0]=4 477 B12R1.21 CC(C)COc1ccc(cc1)Br 34a_100000185759_100000210624 [0,1,0,0,0,0|2,0,1]=4 478 B12R1.21 CC(C)COc1ccc(cc1)Br 7a_100000185759_100000210760 [0,1,0,0,0,0|2,0,1]=4 479 B12R1.21 CC(C)COc1ccc(cc1)Cl 34a_100000210216_100000210624 [0,1,0,0,0,0|2,0,1]=4 480 B12R1.21 CC(C)COc1ccc(cc1)Cl 7a_100000210216_100000210760 [0,1,0,0,0,0|2,0,1]=4 481 B12R1.21 CC(C)COc1ccc(cc1)F 34a_100000210339_100000210624 [0,1,0,0,0,0|2,0,1]=4 482 B12R1.21 CC(C)COc1ccc(cc1)I 34a_100000212066_100000210624 [0,1,0,0,0,0|2,0,1]=4 483 B12R1.21 CC(C)COc1ccc(cc1)I 7a_100000212066_100000210760 [0,1,0,0,0,0|2,0,1]=4 484 B12R1.21 CC(C)COc1ccc(cc1)N 34a_100000185829_100000210624 [0,1,0,0,0,0|2,0,1]=4 485 B12R1.21 CC(C)COc1ccc(cc1)O 271570a_203496583355_200000169949 [0,1,0,0,0,0|2,0,1]=4 486 B12R1.21 CC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218427 [0,1,0,0,0,0|2,0,1]=4 487 B12R1.21 CC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218427 [0,1,0,0,0,0|2,0,1]=4 488 B12R1.21 CC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218427 [0,1,0,0,0,0|2,0,1]=4 489 B12R1.21 CC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218427 [0,1,0,0,0,0|2,0,1]=4 490 B12R1.21 CC(O)CNc1ccc(cc1)F 34a_100000185862_100011218427 [0,1,0,0,0,0|2,0,1]=4 491 B12R1.21 CC(O)CNc1ccc(cc1)I 34a_100000185761_100011218427 [0,1,0,0,0,0|2,0,1]=4 492 B12R1.21 CC(O)CNc1ccc(cc1)O 34a_100000185829_100011218427 [0,1,0,0,0,0|2,0,1]=4 493 B12R1.21 CC(O)COc1ccc(=O)[nH]c1 34a_100000075641_100011218427 [0,1,0,0,0,0|2,0,1]=4 494 B12R1.21 CC(O)COc1ccc(cc1)Br 34a_100000185759_100011218427 [0,1,0,0,0,0|1,0,1]=3 495 B12R1.21 CC(O)COc1ccc(cc1)Br 7a_100000185759_100011218427 [0,1,0,0,0,0|1,0,1]=3 496 B12R1.21 CC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218427 [0,1,0,0,0,0|1,0,1]=3 497 B12R1.21 CC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218427 [0,1,0,0,0,0|1,0,1]=3 498 B12R1.21 CC(O)COc1ccc(cc1)F 34a_100000210339_100011218427 [0,1,0,0,0,0|1,0,1]=3 499 B12R1.21 CC(O)COc1ccc(cc1)I 34a_100000212066_100011218427 [0,1,0,0,0,0|1,0,1]=3 500 B12R1.21 CC(O)COc1ccc(cc1)I 7a_100000212066_100011218427 [0,1,0,0,0,0|1,0,1]=3 501 B12R1.21 CC(O)COc1ccc(cc1)N 34a_100000185829_100011218427 [0,1,0,0,0,0|1,0,1]=3 502 B12R1.21 CC(O)COc1ccc(cn1)Cl 34a_100011215309_100011218427 [0,1,0,0,0,0|2,0,1]=4 503 B12R1.21 CC(O)COc1ccc(cn1)F 34a_100000742473_100011218427 [0,1,0,0,0,0|2,0,1]=4 504 B12R1.21 CC(O)COc1ccc(cn1)N 34a_100000729260_100011218427 [0,1,0,0,0,0|2,0,1]=4 505 B12R1.21 CC(O)COc1ccc(nc1)Br 34a_100000685995_100011218427 [0,1,0,0,0,0|2,0,1]=4 506 B12R1.21 CC(O)COc1ccc(nc1)Br 7a_100000685995_100011218427 [0,1,0,0,0,0|2,0,1]=4 507 B12R1.21 CC(O)COc1ccc(nc1)Cl 34a_100000744096_100011218427 [0,1,0,0,0,0|2,0,1]=4 508 B12R1.21 CC(O)COc1ccc(nc1)Cl 7a_100000744096_100011218427 [0,1,0,0,0,0|2,0,1]=4 509 B12R1.21 CC(O)COc1ccc(nc1)F 34a_100000688820_100011218427 [0,1,0,0,0,0|2,0,1]=4 510 B12R1.21 CC(O)COc1ccc(nc1)F 7a_100000688820_100011218427 [0,1,0,0,0,0|2,0,1]=4 511 B12R1.21 CC(O)COc1ccc(nc1)I 34a_100000687607_100011218427 [0,1,0,0,0,0|2,0,1]=4 512 B12R1.21 CC(O)COc1ccc(nc1)I 7a_100000687607_100011218427 [0,1,0,0,0,0|2,0,1]=4 513 B12R1.21 CC(O)COc1ccc(nc1)N 34a_100015188713_100011218427 [0,1,0,0,0,0|2,0,1]=4 514 B12R1.21 CC(O)COc1ccc(nc1)N 7a_100015188713_100011218427 [0,1,0,0,0,0|2,0,1]=4 515 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218427 [0,1,0,0,0,0|1,1,1]=4 516 B12R1.21 CC(O)CSc1ccc(cc1)Br 62a_100011218427_100000752885 [0,1,0,0,0,0|1,1,1]=4 517 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218427 [0,1,0,0,0,0|1,1,1]=4 518 B12R1.21 CC(O)CSc1ccc(cc1)Cl 62a_100011218427_100000755918 [0,1,0,0,0,0|1,1,1]=4 519 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100000211213_100011218427 [0,1,0,0,0,0|1,1,1]=4 520 B12R1.21 CC(O)CSc1ccc(cc1)F 62a_100011218427_100000211213 [0,1,0,0,0,0|1,1,1]=4 521 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100000185761_100011218427 [0,1,0,0,0,0|1,1,1]=4 522 B12R1.21 CC(O)CSc1ccc(cc1)N 62a_100011218427_100000185761 [0,1,0,0,0,0|1,1,1]=4 523 B12R1.21 CC(O)CSc1ccc(cc1)O 62a_100011218427_100000185759 [0,1,0,0,0,0|1,1,1]=4 524 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009817552 [0,1,0,0,0,0|2,0,1]=4 525 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009817552 [0,1,0,0,0,0|2,0,1]=4 526 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009817552 [0,1,0,0,0,0|2,0,1]=4 527 B12R1.21 C[C@@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009817552 [0,1,0,0,0,0|2,0,1]=4 528 B12R1.21 C[C@@H](O)CNc1ccc(cc1)F 34a_100000185862_100009817552 [0,1,0,0,0,0|2,0,1]=4 529 B12R1.21 C[C@@H](O)CNc1ccc(cc1)I 34a_100000185761_100009817552 [0,1,0,0,0,0|2,0,1]=4 530 B12R1.21 C[C@@H](O)CNc1ccc(cc1)O 34a_100000185829_100009817552 [0,1,0,0,0,0|2,0,1]=4 531 B12R1.21 C[C@@H](O)COc1ccc(=O)[nH]c1 34a_100000075641_100009817552 [0,1,0,0,0,0|2,0,1]=4 532 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 34a_100000185759_100009817552 [0,1,0,0,0,0|1,0,1]=3 533 B12R1.21 C[C@@H](O)COc1ccc(cc1)Br 7a_100000185759_100009817552 [0,1,0,0,0,0|1,0,1]=3 534 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009817552 [0,1,0,0,0,0|1,0,1]=3 535 B12R1.21 C[C@@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009817552 [0,1,0,0,0,0|1,0,1]=3 536 B12R1.21 C[C@@H](O)COc1ccc(cc1)F 34a_100000210339_100009817552 [0,1,0,0,0,0|1,0,1]=3 537 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 34a_100000212066_100009817552 [0,1,0,0,0,0|1,0,1]=3 538 B12R1.21 C[C@@H](O)COc1ccc(cc1)I 7a_100000212066_100009817552 [0,1,0,0,0,0|1,0,1]=3 539 B12R1.21 C[C@@H](O)COc1ccc(cc1)N 34a_100000185829_100009817552 [0,1,0,0,0,0|1,0,1]=3 540 B12R1.21 C[C@@H](O)COc1ccc(cn1)Cl 34a_100011215309_100009817552 [0,1,0,0,0,0|2,0,1]=4 541 B12R1.21 C[C@@H](O)COc1ccc(cn1)F 34a_100000742473_100009817552 [0,1,0,0,0,0|2,0,1]=4 542 B12R1.21 C[C@@H](O)COc1ccc(cn1)N 34a_100000729260_100009817552 [0,1,0,0,0,0|2,0,1]=4 543 B12R1.21 C[C@@H](O)COc1ccc(nc1)Br 34a_100000685995_100009817552 [0,1,0,0,0,0|2,0,1]=4 544 B12R1.21 C[C@@H](O)COc1ccc(nc1)Br 7a_100000685995_100009817552 [0,1,0,0,0,0|2,0,1]=4 545 B12R1.21 C[C@@H](O)COc1ccc(nc1)Cl 34a_100000744096_100009817552 [0,1,0,0,0,0|2,0,1]=4 546 B12R1.21 C[C@@H](O)COc1ccc(nc1)Cl 7a_100000744096_100009817552 [0,1,0,0,0,0|2,0,1]=4 547 B12R1.21 C[C@@H](O)COc1ccc(nc1)F 34a_100000688820_100009817552 [0,1,0,0,0,0|2,0,1]=4 548 B12R1.21 C[C@@H](O)COc1ccc(nc1)F 7a_100000688820_100009817552 [0,1,0,0,0,0|2,0,1]=4 549 B12R1.21 C[C@@H](O)COc1ccc(nc1)I 34a_100000687607_100009817552 [0,1,0,0,0,0|2,0,1]=4 550 B12R1.21 C[C@@H](O)COc1ccc(nc1)I 7a_100000687607_100009817552 [0,1,0,0,0,0|2,0,1]=4 551 B12R1.21 C[C@@H](O)COc1ccc(nc1)N 34a_100015188713_100009817552 [0,1,0,0,0,0|2,0,1]=4 552 B12R1.21 C[C@@H](O)COc1ccc(nc1)N 7a_100015188713_100009817552 [0,1,0,0,0,0|2,0,1]=4 553 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009817552 [0,1,0,0,0,0|1,1,1]=4 554 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Br 62a_100009817552_100000752885 [0,1,0,0,0,0|1,1,1]=4 555 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009817552 [0,1,0,0,0,0|1,1,1]=4 556 B12R1.21 C[C@@H](O)CSc1ccc(cc1)Cl 62a_100009817552_100000755918 [0,1,0,0,0,0|1,1,1]=4 557 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100000211213_100009817552 [0,1,0,0,0,0|1,1,1]=4 558 B12R1.21 C[C@@H](O)CSc1ccc(cc1)F 62a_100009817552_100000211213 [0,1,0,0,0,0|1,1,1]=4 559 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100000185761_100009817552 [0,1,0,0,0,0|1,1,1]=4 560 B12R1.21 C[C@@H](O)CSc1ccc(cc1)N 62a_100009817552_100000185761 [0,1,0,0,0,0|1,1,1]=4 561 B12R1.21 C[C@@H](O)CSc1ccc(cc1)O 62a_100009817552_100000185759 [0,1,0,0,0,0|1,1,1]=4 562 B12R1.21 Cc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000716854_200025704644 [0,1,0,0,0,0|2,0,1]=4 563 B12R1.21 Cc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000234883_200025704644 [0,1,0,0,0,0|2,0,0]=3 564 B12R1.21 Cc1ccc(cc1)NCC(=O)N 34a_100000124888_100000187820 [0,1,0,0,0,0|2,0,0]=3 565 B12R1.21 Cc1ccc(cc1)NCC(=O)[O-] 34a_100000124888_100020667443 [0,1,0,0,0,0|1,0,1]=3 566 B12R1.21 Cc1ccc(cc1)NCC(C)O 34a_100000124888_100011218427 [0,1,0,0,0,0|2,0,1]=4 567 B12R1.21 Cc1ccc(cc1)NC[C@@H](C)O 34a_100000124888_100009817552 [0,1,0,0,0,0|2,0,1]=4 568 B12R1.21 Cc1ccc(cc1)NC[N+](=O)[O-] 34a_100000124888_100000761209 [0,1,0,0,0,0|2,0,1]=4 569 B12R1.21 Cc1ccc(cc1)OCC(=O)N 34a_100000210336_100000187820 [0,1,0,0,0,0|1,0,0]=2 570 B12R1.21 Cc1ccc(cc1)OCC(=O)N 7a_100000210336_100000187820 [0,1,0,0,0,0|1,0,0]=2 571 B12R1.21 Cc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182360_200025704644 [0,1,0,0,0,0|1,0,0]=2 572 B12R1.21 Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210336_100020667443 [0,1,0,0,0,0|0,0,1]=2 573 B12R1.21 Cc1ccc(cc1)OCC(C)C 34a_100000210336_100000210624 [0,1,0,0,0,0|2,0,1]=4 574 B12R1.21 Cc1ccc(cc1)OCC(C)C 7a_100000210336_100000210760 [0,1,0,0,0,0|2,0,1]=4 575 B12R1.21 Cc1ccc(cc1)OCC(C)O 34a_100000210336_100011218427 [0,1,0,0,0,0|1,0,1]=3 576 B12R1.21 Cc1ccc(cc1)OCC(C)O 7a_100000210336_100011218427 [0,1,0,0,0,0|1,0,1]=3 577 B12R1.21 Cc1ccc(cc1)OCC(F)F 34a_100000210336_100011934356 [0,1,0,0,0,0|2,0,1]=4 578 B12R1.21 Cc1ccc(cc1)OCC(F)F 7a_100000210336_100011934356 [0,1,0,0,0,0|2,0,1]=4 579 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 34a_100000210336_100009817552 [0,1,0,0,0,0|1,0,1]=3 580 B12R1.21 Cc1ccc(cc1)OC[C@@H](C)O 7a_100000210336_100009817552 [0,1,0,0,0,0|1,0,1]=3 581 B12R1.21 Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210336_100000761209 [0,1,0,0,0,0|1,0,1]=3 582 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000186775_100000747473 [0,1,0,0,0,0|1,1,0]=3 583 B12R1.21 Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000186775 [0,1,0,0,0,0|1,1,0]=3 584 B12R1.21 Cc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000179497_200025704644 [0,1,0,0,0,0|1,1,0]=3 585 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100000186775_100020667443 [0,1,0,0,0,0|0,1,1]=3 586 B12R1.21 Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000186775 [0,1,0,0,0,0|0,1,1]=3 587 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100000186775_100011218427 [0,1,0,0,0,0|1,1,1]=4 588 B12R1.21 Cc1ccc(cc1)SCC(C)O 62a_100011218427_100000186775 [0,1,0,0,0,0|1,1,1]=4 589 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100000186775_100009817552 [0,1,0,0,0,0|1,1,1]=4 590 B12R1.21 Cc1ccc(cc1)SC[C@@H](C)O 62a_100009817552_100000186775 [0,1,0,0,0,0|1,1,1]=4 591 B12R1.21 Cc1ccc(cc1)SC[N+](=O)[O-] 62a_100000186775_100000761209 [0,1,0,0,0,0|1,1,1]=4 592 B12R1.21 Cc1ccc(cn1)OCC(=O)N 34a_100000745506_100000187820 [0,1,0,0,0,0|2,0,0]=3 593 B12R1.21 Cc1ccc(cn1)OCC(=O)N 7a_100000745506_100000187820 [0,1,0,0,0,0|2,0,0]=3 594 B12R1.21 Cc1ccc(cn1)OCC(=O)[O-] 34a_100000745506_100020667443 [0,1,0,0,0,0|1,0,1]=3 595 B12R1.21 Cc1ccc(cn1)OCC(C)O 34a_100000745506_100011218427 [0,1,0,0,0,0|2,0,1]=4 596 B12R1.21 Cc1ccc(cn1)OCC(C)O 7a_100000745506_100011218427 [0,1,0,0,0,0|2,0,1]=4 597 B12R1.21 Cc1ccc(cn1)OC[C@@H](C)O 34a_100000745506_100009817552 [0,1,0,0,0,0|2,0,1]=4 598 B12R1.21 Cc1ccc(cn1)OC[C@@H](C)O 7a_100000745506_100009817552 [0,1,0,0,0,0|2,0,1]=4 599 B12R1.21 Cc1ccc(cn1)OC[N+](=O)[O-] 34a_100000745506_100000761209 [0,1,0,0,0,0|2,0,1]=4 600 B12R1.21 Cc1ccc(cn1)SCC(=O)N 62a_100000747473_100000751577 [0,1,0,0,0,0|2,1,0]=4 601 B12R1.21 Cc1ccc(cn1)SCC(=O)N 62a_100000751577_100000747473 [0,1,0,0,0,0|2,1,0]=4 602 B12R1.21 Cc1ccc(cn1)SCC(=O)[O-] 62a_100000751577_100020667443 [0,1,0,0,0,0|1,1,1]=4 603 B12R1.21 Cc1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100000751577 [0,1,0,0,0,0|1,1,1]=4 604 B12R1.21 Cc1ccc(nc1)OCC(=O)N 34a_100000759353_100000187820 [0,1,0,0,0,0|2,0,0]=3 605 B12R1.21 Cc1ccc(nc1)OCC(=O)[O-] 34a_100000759353_100020667443 [0,1,0,0,0,0|1,0,1]=3 606 B12R1.21 Cc1ccc(nc1)OCC(C)O 34a_100000759353_100011218427 [0,1,0,0,0,0|2,0,1]=4 607 B12R1.21 Cc1ccc(nc1)OC[C@@H](C)O 34a_100000759353_100009817552 [0,1,0,0,0,0|2,0,1]=4 608 B12R1.21 Cc1ccc(nc1)OC[N+](=O)[O-] 34a_100000759353_100000761209 [0,1,0,0,0,0|2,0,1]=4 609 B12R1.21 Cc1ccc(nc1)SCC(=O)N 62a_100000747473_100000754016 [0,1,0,0,0,0|2,1,0]=4 610 B12R1.21 Cc1ccc(nc1)SCC(=O)N 62a_100011192072_100000747473 [0,1,0,0,0,0|2,1,0]=4 611 B12R1.21 Cc1ccc(nc1)SCC(=O)[O-] 62a_100011192072_100020667443 [0,1,0,0,0,0|1,1,1]=4 612 B12R1.21 Cc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000754016 [0,1,0,0,0,0|1,1,1]=4 613 B12R1.21 Cc1ncc(cn1)OCC(=O)N 34a_100000062939_100000187820 [0,1,0,0,0,0|3,0,0]=4 614 B12R1.21 Cc1ncc(cn1)OCC(=O)N 7a_100000062939_100000187820 [0,1,0,0,0,0|3,0,0]=4 615 B12R1.21 Cc1ncc(cn1)OCC(=O)[O-] 34a_100000062939_100020667443 [0,1,0,0,0,0|2,0,1]=4 616 B12R1.21 FC(F)COc1ccc(cc1)Br 34a_100000185759_100011934356 [0,1,0,0,0,0|2,0,1]=4 617 B12R1.21 FC(F)COc1ccc(cc1)Br 7a_100000185759_100011934356 [0,1,0,0,0,0|2,0,1]=4 618 B12R1.21 FC(F)COc1ccc(cc1)Cl 34a_100000210216_100011934356 [0,1,0,0,0,0|2,0,1]=4 619 B12R1.21 FC(F)COc1ccc(cc1)Cl 7a_100000210216_100011934356 [0,1,0,0,0,0|2,0,1]=4 620 B12R1.21 FC(F)COc1ccc(cc1)I 34a_100000212066_100011934356 [0,1,0,0,0,0|2,0,1]=4 621 B12R1.21 FC(F)COc1ccc(cc1)I 7a_100000212066_100011934356 [0,1,0,0,0,0|2,0,1]=4 622 B12R1.21 Fc1ccc(cc1)OCC(F)F 34a_100000210339_100011934356 [0,1,0,0,0,0|2,0,1]=4 623 B12R1.21 NC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010110666 [0,1,0,0,0,0|2,0,0]=3 624 B12R1.21 NC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747473 [0,1,0,0,0,0|2,0,0]=3 625 B12R1.21 NC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000187820 [0,1,0,0,0,0|2,0,0]=3 626 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747473 [0,1,0,0,0,0|2,0,0]=3 627 B12R1.21 NC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000187820 [0,1,0,0,0,0|2,0,0]=3 628 B12R1.21 NC(=O)CNc1ccc(cc1)F 34a_100000185862_100000187820 [0,1,0,0,0,0|2,0,0]=3 629 B12R1.21 NC(=O)CNc1ccc(cc1)I 34a_100000185761_100000187820 [0,1,0,0,0,0|2,0,0]=3 630 B12R1.21 NC(=O)CNc1ccc(cc1)O 34a_100000185829_100000187820 [0,1,0,0,0,0|2,0,0]=3 631 B12R1.21 NC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000187820 [0,1,0,0,0,0|2,0,0]=3 632 B12R1.21 NC(=O)COc1ccc(cc1)Br 34a_100000185759_100000187820 [0,1,0,0,0,0|1,0,0]=2 633 B12R1.21 NC(=O)COc1ccc(cc1)Br 7a_100000185759_100000187820 [0,1,0,0,0,0|1,0,0]=2 634 B12R1.21 NC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000187820 [0,1,0,0,0,0|1,0,0]=2 635 B12R1.21 NC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000187820 [0,1,0,0,0,0|1,0,0]=2 636 B12R1.21 NC(=O)COc1ccc(cc1)F 34a_100000210339_100000187820 [0,1,0,0,0,0|1,0,0]=2 637 B12R1.21 NC(=O)COc1ccc(cc1)I 34a_100000212066_100000187820 [0,1,0,0,0,0|1,0,0]=2 638 B12R1.21 NC(=O)COc1ccc(cc1)I 7a_100000212066_100000187820 [0,1,0,0,0,0|1,0,0]=2 639 B12R1.21 NC(=O)COc1ccc(cc1)N 34a_100000185829_100000187820 [0,1,0,0,0,0|1,0,0]=2 640 B12R1.21 NC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000187820 [0,1,0,0,0,0|2,0,0]=3 641 B12R1.21 NC(=O)COc1ccc(cn1)F 34a_100000742473_100000187820 [0,1,0,0,0,0|2,0,0]=3 642 B12R1.21 NC(=O)COc1ccc(cn1)N 34a_100000729260_100000187820 [0,1,0,0,0,0|2,0,0]=3 643 B12R1.21 NC(=O)COc1ccc(nc1)Br 34a_100000685995_100000187820 [0,1,0,0,0,0|2,0,0]=3 644 B12R1.21 NC(=O)COc1ccc(nc1)Br 7a_100000685995_100000187820 [0,1,0,0,0,0|2,0,0]=3 645 B12R1.21 NC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000187820 [0,1,0,0,0,0|2,0,0]=3 646 B12R1.21 NC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000187820 [0,1,0,0,0,0|2,0,0]=3 647 B12R1.21 NC(=O)COc1ccc(nc1)F 34a_100000688820_100000187820 [0,1,0,0,0,0|2,0,0]=3 648 B12R1.21 NC(=O)COc1ccc(nc1)F 7a_100000688820_100000187820 [0,1,0,0,0,0|2,0,0]=3 649 B12R1.21 NC(=O)COc1ccc(nc1)I 34a_100000687607_100000187820 [0,1,0,0,0,0|2,0,0]=3 650 B12R1.21 NC(=O)COc1ccc(nc1)I 7a_100000687607_100000187820 [0,1,0,0,0,0|2,0,0]=3 651 B12R1.21 NC(=O)COc1ccc(nc1)N 34a_100015188713_100000187820 [0,1,0,0,0,0|2,0,0]=3 652 B12R1.21 NC(=O)COc1ccc(nc1)N 7a_100015188713_100000187820 [0,1,0,0,0,0|2,0,0]=3 653 B12R1.21 NC(=O)COc1cnc(cn1)Br 34a_100011934580_100000187820 [0,1,0,0,0,0|3,0,0]=4 654 B12R1.21 NC(=O)COc1cnc(cn1)Cl 34a_100015839800_100000187820 [0,1,0,0,0,0|3,0,0]=4 655 B12R1.21 NC(=O)COc1cnc(nc1)Br 34a_100000730009_100000187820 [0,1,0,0,0,0|3,0,0]=4 656 B12R1.21 NC(=O)COc1cnc(nc1)Br 7a_100000730009_100000187820 [0,1,0,0,0,0|3,0,0]=4 657 B12R1.21 NC(=O)COc1cnc(nc1)Cl 34a_100000092845_100000187820 [0,1,0,0,0,0|3,0,0]=4 658 B12R1.21 NC(=O)COc1cnc(nc1)Cl 7a_100000092845_100000187820 [0,1,0,0,0,0|3,0,0]=4 659 B12R1.21 NC(=O)COc1cnc(nc1)F 34a_200009874573_100000187820 [0,1,0,0,0,0|3,0,0]=4 660 B12R1.21 NC(=O)COc1cnc(nc1)F 7a_200009874573_100000187820 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.21 NC(=O)COc1cnc(nc1)N 34a_100000087137_100000187820 [0,1,0,0,0,0|3,0,0]=4 662 B12R1.21 NC(=O)COc1cnc(nc1)N 7a_100000087137_100000187820 [0,1,0,0,0,0|3,0,0]=4 663 B12R1.21 NC(=O)COc1ncc(cn1)F 34a_100011934040_100000187820 [0,1,0,0,0,0|3,0,0]=4 664 B12R1.21 NC(=O)CSc1cc[n+](cc1)[O-] 62a_100000747473_100000039755 [0,1,0,0,0,0|2,1,0]=4 665 B12R1.21 NC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000747473 [0,1,0,0,0,0|2,1,0]=4 666 B12R1.21 NC(=O)CSc1ccc(=O)[nH]c1 62a_100000747473_100000212171 [0,1,0,0,0,0|2,1,0]=4 667 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000747473_100000752885 [0,1,0,0,0,0|1,1,0]=3 668 B12R1.21 NC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747473 [0,1,0,0,0,0|1,1,0]=3 669 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000747473_100000755918 [0,1,0,0,0,0|1,1,0]=3 670 B12R1.21 NC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747473 [0,1,0,0,0,0|1,1,0]=3 671 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747473 [0,1,0,0,0,0|1,1,0]=3 672 B12R1.21 NC(=O)CSc1ccc(cc1)F 62a_100000747473_100000211213 [0,1,0,0,0,0|1,1,0]=3 673 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747473 [0,1,0,0,0,0|1,1,0]=3 674 B12R1.21 NC(=O)CSc1ccc(cc1)N 62a_100000747473_100000185761 [0,1,0,0,0,0|1,1,0]=3 675 B12R1.21 NC(=O)CSc1ccc(cc1)O 271570a_203496583355_100000149456 [0,1,0,0,0,0|1,1,0]=3 676 B12R1.21 NC(=O)CSc1ccc(cc1)O 62a_100000747473_100000185759 [0,1,0,0,0,0|1,1,0]=3 677 B12R1.21 NC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000747473 [0,1,0,0,0,0|2,1,0]=4 678 B12R1.21 NC(=O)CSc1ccc(cn1)Br 62a_100000747473_100000686858 [0,1,0,0,0,0|2,1,0]=4 679 B12R1.21 NC(=O)CSc1ccc(cn1)Cl 62a_100000747473_100011356976 [0,1,0,0,0,0|2,1,0]=4 680 B12R1.21 NC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000747473 [0,1,0,0,0,0|2,1,0]=4 681 B12R1.21 NC(=O)CSc1ccc(cn1)F 62a_100000744514_100000747473 [0,1,0,0,0,0|2,1,0]=4 682 B12R1.21 NC(=O)CSc1ccc(cn1)F 62a_100000747473_100000744514 [0,1,0,0,0,0|2,1,0]=4 683 B12R1.21 NC(=O)CSc1ccc(cn1)N 62a_100000737798_100000747473 [0,1,0,0,0,0|2,1,0]=4 684 B12R1.21 NC(=O)CSc1ccc(cn1)N 62a_100000747473_100000737798 [0,1,0,0,0,0|2,1,0]=4 685 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747473 [0,1,0,0,0,0|2,1,0]=4 686 B12R1.21 NC(=O)CSc1ccc(cn1)O 62a_100000747473_100000744096 [0,1,0,0,0,0|2,1,0]=4 687 B12R1.21 NC(=O)CSc1ccc(nc1)Br 62a_100000747473_100009814638 [0,1,0,0,0,0|2,1,0]=4 688 B12R1.21 NC(=O)CSc1ccc(nc1)Br 62a_100009814638_100000747473 [0,1,0,0,0,0|2,1,0]=4 689 B12R1.21 NC(=O)CSc1ccc(nc1)Cl 62a_100000034144_100000747473 [0,1,0,0,0,0|2,1,0]=4 690 B12R1.21 NC(=O)CSc1ccc(nc1)Cl 62a_100000747473_100000034144 [0,1,0,0,0,0|2,1,0]=4 691 B12R1.21 NC(=O)CSc1ccc(nc1)F 62a_100000042367_100000747473 [0,1,0,0,0,0|2,1,0]=4 692 B12R1.21 NC(=O)CSc1ccc(nc1)F 62a_100000747473_100000042367 [0,1,0,0,0,0|2,1,0]=4 693 B12R1.21 NC(=O)CSc1ccc(nc1)N 62a_100000187370_100000747473 [0,1,0,0,0,0|2,1,0]=4 694 B12R1.21 NC(=O)CSc1ccc(nc1)N 62a_100000747473_100000187370 [0,1,0,0,0,0|2,1,0]=4 695 B12R1.21 Nc1ccc(cc1)OCC(=O)[O-] 34a_100000185829_100020667443 [0,1,0,0,0,0|0,0,1]=2 696 B12R1.21 Nc1ccc(cc1)OCC(F)F 34a_100000185829_100011934356 [0,1,0,0,0,0|2,0,1]=4 697 B12R1.21 Nc1ccc(cc1)OC[N+](=O)[O-] 34a_100000185829_100000761209 [0,1,0,0,0,0|1,0,1]=3 698 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100000185761_100020667443 [0,1,0,0,0,0|0,1,1]=3 699 B12R1.21 Nc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000185761 [0,1,0,0,0,0|0,1,1]=3 700 B12R1.21 Nc1ccc(cc1)SC[N+](=O)[O-] 62a_100000185761_100000761209 [0,1,0,0,0,0|1,1,1]=4 701 B12R1.21 Nc1ccc(cn1)OCC(=O)[O-] 34a_100015188713_100020667443 [0,1,0,0,0,0|1,0,1]=3 702 B12R1.21 Nc1ccc(cn1)OC[N+](=O)[O-] 34a_100015188713_100000761209 [0,1,0,0,0,0|2,0,1]=4 703 B12R1.21 Nc1ccc(cn1)SCC(=O)[O-] 62a_100000187370_100020667443 [0,1,0,0,0,0|1,1,1]=4 704 B12R1.21 Nc1ccc(cn1)SCC(=O)[O-] 62a_100020667443_100000187370 [0,1,0,0,0,0|1,1,1]=4 705 B12R1.21 Nc1ccc(nc1)OCC(=O)[O-] 34a_100000729260_100020667443 [0,1,0,0,0,0|1,0,1]=3 706 B12R1.21 Nc1ccc(nc1)OC[N+](=O)[O-] 34a_100000729260_100000761209 [0,1,0,0,0,0|2,0,1]=4 707 B12R1.21 Nc1ccc(nc1)SCC(=O)[O-] 62a_100000737798_100020667443 [0,1,0,0,0,0|1,1,1]=4 708 B12R1.21 Nc1ccc(nc1)SCC(=O)[O-] 62a_100020667443_100000737798 [0,1,0,0,0,0|1,1,1]=4 709 B12R1.21 Nc1ncc(cn1)OCC(=O)[O-] 34a_100000087137_100020667443 [0,1,0,0,0,0|2,0,1]=4 710 B12R1.21 O=C([O-])CNc1ccc(cc1)Br 34a_100000210018_100020667443 [0,1,0,0,0,0|1,0,1]=3 711 B12R1.21 O=C([O-])CNc1ccc(cc1)Cl 34a_100000210052_100020667443 [0,1,0,0,0,0|1,0,1]=3 712 B12R1.21 O=C([O-])CNc1ccc(cc1)F 34a_100000185862_100020667443 [0,1,0,0,0,0|1,0,1]=3 713 B12R1.21 O=C([O-])CNc1ccc(cc1)I 34a_100000185761_100020667443 [0,1,0,0,0,0|1,0,1]=3 714 B12R1.21 O=C([O-])CNc1ccc(cc1)O 34a_100000185829_100020667443 [0,1,0,0,0,0|1,0,1]=3 715 B12R1.21 O=C([O-])COc1ccc(=O)[nH]c1 34a_100000075641_100020667443 [0,1,0,0,0,0|1,0,1]=3 716 B12R1.21 O=C([O-])COc1ccc(cc1)Br 34a_100000185759_100020667443 [0,1,0,0,0,0|0,0,1]=2 717 B12R1.21 O=C([O-])COc1ccc(cc1)Cl 34a_100000210216_100020667443 [0,1,0,0,0,0|0,0,1]=2 718 B12R1.21 O=C([O-])COc1ccc(cc1)F 34a_100000210339_100020667443 [0,1,0,0,0,0|0,0,1]=2 719 B12R1.21 O=C([O-])COc1ccc(cc1)I 34a_100000212066_100020667443 [0,1,0,0,0,0|0,0,1]=2 720 B12R1.21 O=C([O-])COc1ccc(cn1)Cl 34a_100011215309_100020667443 [0,1,0,0,0,0|1,0,1]=3 721 B12R1.21 O=C([O-])COc1ccc(cn1)F 34a_100000742473_100020667443 [0,1,0,0,0,0|1,0,1]=3 722 B12R1.21 O=C([O-])COc1ccc(nc1)Br 34a_100000685995_100020667443 [0,1,0,0,0,0|1,0,1]=3 723 B12R1.21 O=C([O-])COc1ccc(nc1)Cl 34a_100000744096_100020667443 [0,1,0,0,0,0|1,0,1]=3 724 B12R1.21 O=C([O-])COc1ccc(nc1)F 34a_100000688820_100020667443 [0,1,0,0,0,0|1,0,1]=3 725 B12R1.21 O=C([O-])COc1ccc(nc1)I 34a_100000687607_100020667443 [0,1,0,0,0,0|1,0,1]=3 726 B12R1.21 O=C([O-])COc1cnc(cn1)Br 34a_100011934580_100020667443 [0,1,0,0,0,0|2,0,1]=4 727 B12R1.21 O=C([O-])COc1cnc(cn1)Cl 34a_100015839800_100020667443 [0,1,0,0,0,0|2,0,1]=4 728 B12R1.21 O=C([O-])COc1cnc(nc1)Br 34a_100000730009_100020667443 [0,1,0,0,0,0|2,0,1]=4 729 B12R1.21 O=C([O-])COc1cnc(nc1)Cl 34a_100000092845_100020667443 [0,1,0,0,0,0|2,0,1]=4 730 B12R1.21 O=C([O-])COc1cnc(nc1)F 34a_200009874573_100020667443 [0,1,0,0,0,0|2,0,1]=4 731 B12R1.21 O=C([O-])COc1ncc(cn1)F 34a_100011934040_100020667443 [0,1,0,0,0,0|2,0,1]=4 732 B12R1.21 O=C([O-])CSc1cc[n+](cc1)[O-] 62a_100020667443_100000039755 [0,1,0,0,0,0|1,1,1]=4 733 B12R1.21 O=C([O-])CSc1ccc(=O)[nH]c1 62a_100000212171_100020667443 [0,1,0,0,0,0|1,1,1]=4 734 B12R1.21 O=C([O-])CSc1ccc(=O)[nH]c1 62a_100020667443_100000212171 [0,1,0,0,0,0|1,1,1]=4 735 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100000752885_100020667443 [0,1,0,0,0,0|0,1,1]=3 736 B12R1.21 O=C([O-])CSc1ccc(cc1)Br 62a_100020667443_100000752885 [0,1,0,0,0,0|0,1,1]=3 737 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100000755918_100020667443 [0,1,0,0,0,0|0,1,1]=3 738 B12R1.21 O=C([O-])CSc1ccc(cc1)Cl 62a_100020667443_100000755918 [0,1,0,0,0,0|0,1,1]=3 739 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100000211213_100020667443 [0,1,0,0,0,0|0,1,1]=3 740 B12R1.21 O=C([O-])CSc1ccc(cc1)F 62a_100020667443_100000211213 [0,1,0,0,0,0|0,1,1]=3 741 B12R1.21 O=C([O-])CSc1ccc(cc1)O 62a_100020667443_100000185759 [0,1,0,0,0,0|0,1,1]=3 742 B12R1.21 O=C([O-])CSc1ccc(cn1)Br 62a_100000686858_100020667443 [0,1,0,0,0,0|1,1,1]=4 743 B12R1.21 O=C([O-])CSc1ccc(cn1)Br 62a_100020667443_100000686858 [0,1,0,0,0,0|1,1,1]=4 744 B12R1.21 O=C([O-])CSc1ccc(cn1)Cl 62a_100011356976_100020667443 [0,1,0,0,0,0|1,1,1]=4 745 B12R1.21 O=C([O-])CSc1ccc(cn1)Cl 62a_100020667443_100011356976 [0,1,0,0,0,0|1,1,1]=4 746 B12R1.21 O=C([O-])CSc1ccc(cn1)F 62a_100000744514_100020667443 [0,1,0,0,0,0|1,1,1]=4 747 B12R1.21 O=C([O-])CSc1ccc(cn1)F 62a_100020667443_100000744514 [0,1,0,0,0,0|1,1,1]=4 748 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100000685995_100020667443 [0,1,0,0,0,0|1,1,1]=4 749 B12R1.21 O=C([O-])CSc1ccc(cn1)O 62a_100020667443_100000744096 [0,1,0,0,0,0|1,1,1]=4 750 B12R1.21 O=C([O-])CSc1ccc(nc1)Br 62a_100009814638_100020667443 [0,1,0,0,0,0|1,1,1]=4 751 B12R1.21 O=C([O-])CSc1ccc(nc1)Br 62a_100020667443_100009814638 [0,1,0,0,0,0|1,1,1]=4 752 B12R1.21 O=C([O-])CSc1ccc(nc1)Cl 62a_100000034144_100020667443 [0,1,0,0,0,0|1,1,1]=4 753 B12R1.21 O=C([O-])CSc1ccc(nc1)Cl 62a_100020667443_100000034144 [0,1,0,0,0,0|1,1,1]=4 754 B12R1.21 O=C([O-])CSc1ccc(nc1)F 62a_100000042367_100020667443 [0,1,0,0,0,0|1,1,1]=4 755 B12R1.21 O=C([O-])CSc1ccc(nc1)F 62a_100020667443_100000042367 [0,1,0,0,0,0|1,1,1]=4 756 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)Br 34a_100000210018_100000761209 [0,1,0,0,0,0|2,0,1]=4 757 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)Cl 34a_100000210052_100000761209 [0,1,0,0,0,0|2,0,1]=4 758 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)F 34a_100000185862_100000761209 [0,1,0,0,0,0|2,0,1]=4 759 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)I 34a_100000185761_100000761209 [0,1,0,0,0,0|2,0,1]=4 760 B12R1.21 O=[N+]([O-])CNc1ccc(cc1)O 34a_100000185829_100000761209 [0,1,0,0,0,0|2,0,1]=4 761 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Br 34a_100000185759_100000761209 [0,1,0,0,0,0|1,0,1]=3 762 B12R1.21 O=[N+]([O-])COc1ccc(cc1)Cl 34a_100000210216_100000761209 [0,1,0,0,0,0|1,0,1]=3 763 B12R1.21 O=[N+]([O-])COc1ccc(cc1)F 34a_100000210339_100000761209 [0,1,0,0,0,0|1,0,1]=3 764 B12R1.21 O=[N+]([O-])COc1ccc(cc1)I 34a_100000212066_100000761209 [0,1,0,0,0,0|1,0,1]=3 765 B12R1.21 O=[N+]([O-])COc1ccc(cn1)Cl 34a_100011215309_100000761209 [0,1,0,0,0,0|2,0,1]=4 766 B12R1.21 O=[N+]([O-])COc1ccc(cn1)F 34a_100000742473_100000761209 [0,1,0,0,0,0|2,0,1]=4 767 B12R1.21 O=[N+]([O-])COc1ccc(nc1)Br 34a_100000685995_100000761209 [0,1,0,0,0,0|2,0,1]=4 768 B12R1.21 O=[N+]([O-])COc1ccc(nc1)Cl 34a_100000744096_100000761209 [0,1,0,0,0,0|2,0,1]=4 769 B12R1.21 O=[N+]([O-])COc1ccc(nc1)F 34a_100000688820_100000761209 [0,1,0,0,0,0|2,0,1]=4 770 B12R1.21 O=[N+]([O-])COc1ccc(nc1)I 34a_100000687607_100000761209 [0,1,0,0,0,0|2,0,1]=4 771 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)Br 62a_100000752885_100000761209 [0,1,0,0,0,0|1,1,1]=4 772 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)Cl 62a_100000755918_100000761209 [0,1,0,0,0,0|1,1,1]=4 773 B12R1.21 O=[N+]([O-])CSc1ccc(cc1)F 62a_100000211213_100000761209 [0,1,0,0,0,0|1,1,1]=4 774 B12R1.21 O=c1ccc(c[nH]1)OC[N+](=O)[O-] 34a_100000075641_100000761209 [0,1,0,0,0,0|2,0,1]=4 775 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Br 1458a_100012100275_200025704644 [0,1,0,0,0,0|2,0,1]=4 776 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)Cl 1458a_100011892723_200025704644 [0,1,0,0,0,0|2,0,1]=4 777 B12R1.21 [13CH3]C(=O)C#Cc1ccc(cc1)F 1458a_100000238512_200025704644 [0,1,0,0,0,0|2,0,1]=4 778 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_200025704644 [0,1,0,0,0,0|2,0,1]=4 779 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_200025704644 [0,1,0,0,0,0|2,0,1]=4 780 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)F 1458a_100000182136_200025704644 [0,1,0,0,0,0|2,0,1]=4 781 B12R1.21 [13CH3]C(=O)C=Cc1ccc(cc1)I 1458a_100102526154_200025704644 [0,1,0,0,0,0|2,0,1]=4 782 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200025704644 [0,1,0,0,0,0|2,0,0]=3 783 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200025704644 [0,1,0,0,0,0|2,0,0]=3 784 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)F 1458a_100000198493_200025704644 [0,1,0,0,0,0|2,0,0]=3 785 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)I 1458a_100011217499_200025704644 [0,1,0,0,0,0|2,0,0]=3 786 B12R1.21 [13CH3]C(=O)CCc1ccc(cc1)O 1458a_100000742835_200025704644 [0,1,0,0,0,0|2,0,0]=3 787 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Br 1458a_100000182358_200025704644 [0,1,0,0,0,0|1,0,0]=2 788 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)Cl 1458a_100016990877_200025704644 [0,1,0,0,0,0|1,0,0]=2 789 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)F 1458a_100000184765_200025704644 [0,1,0,0,0,0|1,0,0]=2 790 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)I 1458a_100000184369_200025704644 [0,1,0,0,0,0|1,0,0]=2 791 B12R1.21 [13CH3]C(=O)COc1ccc(cc1)O 1458a_100000031633_200025704644 [0,1,0,0,0,0|1,0,0]=2 792 B12R1.21 [13CH3]C(=O)COc1ncc(cn1)Br 1458a_200012356291_200025704644 [0,1,0,0,0,0|3,0,0]=4 793 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Br 1458a_100000179496_200025704644 [0,1,0,0,0,0|1,1,0]=3 794 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)Cl 1458a_100000178402_200025704644 [0,1,0,0,0,0|1,1,0]=3 795 B12R1.21 [13CH3]C(=O)CSc1ccc(cc1)F 1458a_100000691584_200025704644 [0,1,0,0,0,0|1,1,0]=3 796 B12R1.27 C#CC(=O)CCc1ccccc1 1458a_100000211873_100000765856 [0,1,0,0,0,0|2,0,0]=3 797 B12R1.27 C#CC(=O)CCc1ccccn1 1458a_100000211873_100015183660 [0,1,0,0,0,0|3,0,0]=4 798 B12R1.27 C#CC(=O)CCc1cccnc1 1458a_100000211873_200011713674 [0,1,0,0,0,0|3,0,0]=4 799 B12R1.27 C#CC(=O)CCc1ccncc1 1458a_100000211873_100000723409 [0,1,0,0,0,0|3,0,0]=4 800 B12R1.27 C=C(C#N)CNc1ccccc1 34a_100000106764_100000694840 [0,1,0,0,0,0|3,0,0]=4 801 B12R1.27 C=C(C#N)COc1ccccc1 34a_100000210340_100000694840 [0,1,0,0,0,0|2,0,0]=3 802 B12R1.27 C=C(C#N)COc1cccnc1 34a_100000210849_100000694840 [0,1,0,0,0,0|3,0,0]=4 803 B12R1.27 C=C(C#N)COc1ccncc1 34a_100000212176_100000694840 [0,1,0,0,0,0|3,0,0]=4 804 B12R1.27 C=C(C#N)CSc1ccccc1 62a_100000719477_100000694840 [0,1,0,0,0,0|2,1,0]=4 805 B12R1.27 C=CC(=O)CCc1ccccc1 1458a_100000185746_100000765856 [0,1,0,0,0,0|2,0,0]=3 806 B12R1.27 C=CC(=O)CCc1ccccn1 1458a_100000185746_100015183660 [0,1,0,0,0,0|3,0,0]=4 807 B12R1.27 C=CC(=O)CCc1cccnc1 1458a_100000185746_200011713674 [0,1,0,0,0,0|3,0,0]=4 808 B12R1.27 C=CC(=O)CCc1ccncc1 1458a_100000185746_100000723409 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.27 C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185746 [0,1,0,0,0,0|3,0,0]=4 810 B12R1.27 C=CC(=O)NCc1ccccc1 240690a_100015324214_200121576911 [0,1,0,0,0,0|3,0,0]=4 811 B12R1.27 C=CC(=O)NNc1ccccc1 22a_100015195140_100000185746 [0,1,0,0,0,0|3,0,0]=4 812 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [0,1,0,0,0,0|2,0,1]=4 813 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [0,1,0,0,0,0|1,0,1]=3 814 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [0,1,0,0,0,0|1,0,1]=3 815 B12R1.27 C=CC(O)COc1cccnc1 34a_100000210849_100000730141 [0,1,0,0,0,0|2,0,1]=4 816 B12R1.27 C=CC(O)COc1cccnc1 7a_100000210849_100000730141 [0,1,0,0,0,0|2,0,1]=4 817 B12R1.27 C=CC(O)COc1ccncc1 34a_100000212176_100000730141 [0,1,0,0,0,0|2,0,1]=4 818 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [0,1,0,0,0,0|1,1,1]=4 819 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [0,1,0,0,0,0|1,1,1]=4 820 B12R1.27 CC(=NNc1ccccc1)CO 4a_100015195140_100000211253 [0,1,0,0,0,0|3,0,0]=4 821 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,1,0,0,0,0|2,0,1]=4 822 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,1,0,0,0,0|2,0,1]=4 823 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,1,0,0,0,0|1,0,1]=3 824 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,1,0,0,0,0|1,0,1]=3 825 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [0,1,0,0,0,0|2,0,1]=4 826 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,1,0,0,0,0|2,0,1]=4 827 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,1,0,0,0,0|2,0,0]=3 828 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,1,0,0,0,0|2,0,0]=3 829 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [0,1,0,0,0,0|3,0,0]=4 830 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [0,1,0,0,0,0|3,0,0]=4 831 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,1,0,0,0,0|3,0,0]=4 832 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,1,0,0,0,0|3,0,0]=4 833 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [0,1,0,0,0,0|3,0,0]=4 834 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [0,1,0,0,0,0|3,0,0]=4 835 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,1,0,0,0,0|1,0,0]=2 836 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,1,0,0,0,0|1,0,0]=2 837 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [0,1,0,0,0,0|2,0,0]=3 838 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [0,1,0,0,0,0|2,0,0]=3 839 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [0,1,0,0,0,0|2,0,0]=3 840 B12R1.27 CCC(=O)COc1cncnc1 7a_100000754086_100000747405 [0,1,0,0,0,0|3,0,0]=4 841 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,1,0,0,0,0|1,1,0]=3 842 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,1,0,0,0,0|1,1,0]=3 843 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,1,0,0,0,0|1,1,0]=3 844 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [0,1,0,0,0,0|2,1,0]=4 845 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [0,1,0,0,0,0|2,1,0]=4 846 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [0,1,0,0,0,0|2,1,0]=4 847 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000210063_100000747405 [0,1,0,0,0,0|2,1,0]=4 848 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000747405_100000210063 [0,1,0,0,0,0|2,1,0]=4 849 B12R1.27 CCC(=O)CSc1ccncc1 1458a_100000211328_100000210202 [0,1,0,0,0,0|2,1,0]=4 850 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000728582_100000747405 [0,1,0,0,0,0|2,1,0]=4 851 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000747405_100000728582 [0,1,0,0,0,0|2,1,0]=4 852 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,1,0,0,0,0|3,0,0]=4 853 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,1,0,0,0,0|3,0,0]=4 854 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,1,0,0,0,0|3,0,0]=4 855 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,1,0,0,0,0|3,0,0]=4 856 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [0,1,0,0,0,0|3,0,0]=4 857 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,1,0,0,0,0|2,0,1]=4 858 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,1,0,0,0,0|2,0,1]=4 859 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,1,0,0,0,0|2,0,1]=4 860 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,1,0,0,0,0|1,0,1]=3 861 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,1,0,0,0,0|1,0,1]=3 862 B12R1.27 CCC(O)COc1cccnc1 34a_100000210849_100011218378 [0,1,0,0,0,0|2,0,1]=4 863 B12R1.27 CCC(O)COc1cccnc1 7a_100000210849_100011218378 [0,1,0,0,0,0|2,0,1]=4 864 B12R1.27 CCC(O)COc1ccncc1 34a_100000212176_100011218378 [0,1,0,0,0,0|2,0,1]=4 865 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,1,0,0,0,0|1,1,1]=4 866 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,1,0,0,0,0|1,1,1]=4 867 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,1,0,0,0,0|2,0,1]=4 868 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,1,0,0,0,0|2,0,1]=4 869 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,1,0,0,0,0|2,0,1]=4 870 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,1,0,0,0,0|2,0,1]=4 871 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,1,0,0,0,0|2,0,1]=4 872 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,1,0,0,0,0|2,0,0]=3 873 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,1,0,0,0,0|2,0,0]=3 874 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,1,0,0,0,0|2,0,0]=3 875 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,1,0,0,0,0|2,0,0]=3 876 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,1,0,0,0,0|3,0,0]=4 877 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,1,0,0,0,0|3,0,0]=4 878 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,1,0,0,0,0|3,0,0]=4 879 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,1,0,0,0,0|3,0,0]=4 880 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,1,0,0,0,0|3,0,0]=4 881 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,1,0,0,0,0|3,0,0]=4 882 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,1,0,0,0,0|3,0,0]=4 883 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,1,0,0,0,0|3,0,0]=4 884 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,1,0,0,0,0|3,0,0]=4 885 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,1,0,0,0,0|3,0,0]=4 886 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,1,0,0,0,0|2,0,0]=3 887 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,1,0,0,0,0|1,0,0]=2 888 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,1,0,0,0,0|1,0,0]=2 889 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,1,0,0,0,0|1,0,0]=2 890 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,1,0,0,0,0|1,0,0]=2 891 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,1,0,0,0,0|1,0,0]=2 892 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,1,0,0,0,0|1,0,0]=2 893 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,1,0,0,0,0|2,0,0]=3 894 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,1,0,0,0,0|2,0,0]=3 895 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,1,0,0,0,0|2,0,0]=3 896 B12R1.27 CNC(=O)COc1cccnc1 11a_106832991635_100015207166 [0,1,0,0,0,0|2,0,0]=3 897 B12R1.27 CNC(=O)COc1cccnc1 1626a_100102657272_100015207166 [0,1,0,0,0,0|2,0,0]=3 898 B12R1.27 CNC(=O)COc1cccnc1 240690a_100102657272_100015207166 [0,1,0,0,0,0|2,0,0]=3 899 B12R1.27 CNC(=O)COc1cccnc1 34a_100000210849_100000183359 [0,1,0,0,0,0|2,0,0]=3 900 B12R1.27 CNC(=O)COc1cccnc1 527a_100102657272_100015207166 [0,1,0,0,0,0|2,0,0]=3 901 B12R1.27 CNC(=O)COc1cccnc1 7a_100000210849_100000183359 [0,1,0,0,0,0|2,0,0]=3 902 B12R1.27 CNC(=O)COc1ccncc1 34a_100000212176_100000183359 [0,1,0,0,0,0|2,0,0]=3 903 B12R1.27 CNC(=O)COc1ccnnc1 34a_100015204005_100000183359 [0,1,0,0,0,0|3,0,0]=4 904 B12R1.27 CNC(=O)COc1cncnc1 7a_100000754086_100000183359 [0,1,0,0,0,0|3,0,0]=4 905 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,1,0,0,0,0|1,1,0]=3 906 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,1,0,0,0,0|1,1,0]=3 907 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,1,0,0,0,0|1,1,0]=3 908 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,1,0,0,0,0|1,1,0]=3 909 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,1,0,0,0,0|1,1,0]=3 910 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,1,0,0,0,0|1,1,0]=3 911 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,1,0,0,0,0|2,1,0]=4 912 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,1,0,0,0,0|2,1,0]=4 913 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,1,0,0,0,0|2,1,0]=4 914 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,1,0,0,0,0|2,1,0]=4 915 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,1,0,0,0,0|2,1,0]=4 916 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000183359_100000210063 [0,1,0,0,0,0|2,1,0]=4 917 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000210063_100000183359 [0,1,0,0,0,0|2,1,0]=4 918 B12R1.27 CNC(=O)CSc1ccncc1 11a_106832991635_100000211328 [0,1,0,0,0,0|2,1,0]=4 919 B12R1.27 CNC(=O)CSc1ccncc1 1626a_100102657272_100000211328 [0,1,0,0,0,0|2,1,0]=4 920 B12R1.27 CNC(=O)CSc1ccncc1 240690a_100102657272_100000211328 [0,1,0,0,0,0|2,1,0]=4 921 B12R1.27 CNC(=O)CSc1ccncc1 527a_100102657272_100000211328 [0,1,0,0,0,0|2,1,0]=4 922 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000183359_100000728582 [0,1,0,0,0,0|2,1,0]=4 923 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000728582_100000183359 [0,1,0,0,0,0|2,1,0]=4 924 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,1,0,0,0,0|3,0,0]=4 925 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,1,0,0,0,0|3,0,0]=4 926 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,1,0,0,0,0|3,0,0]=4 930 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,1,0,0,0,0|2,0,1]=4 933 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,1,0,0,0,0|2,0,1]=4 934 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,1,0,0,0,0|2,0,1]=4 935 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,1,0,0,0,0|1,0,0]=2 936 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,1,0,0,0,0|0,0,0]=1 937 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,1,0,0,0,0|0,0,0]=1 938 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [0,1,0,0,0,0|1,0,0]=2 939 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [0,1,0,0,0,0|1,0,0]=2 940 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [0,1,0,0,0,0|1,0,0]=2 941 B12R1.27 COC(=O)COc1ccnnc1 34a_100015204005_100000747449 [0,1,0,0,0,0|2,0,0]=3 942 B12R1.27 COC(=O)COc1cncnc1 7a_100000754086_100000747449 [0,1,0,0,0,0|2,0,0]=3 943 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,1,0,0,0,0|0,1,0]=2 944 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,1,0,0,0,0|0,1,0]=2 945 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,1,0,0,0,0|1,1,0]=3 946 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,1,0,0,0,0|1,1,0]=3 947 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [0,1,0,0,0,0|1,1,0]=3 948 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [0,1,0,0,0,0|1,1,0]=3 949 B12R1.27 COC(=O)CSc1cccnn1 62a_100000747449_100016991348 [0,1,0,0,0,0|2,1,0]=4 950 B12R1.27 COC(=O)CSc1cccnn1 62a_100016991348_100000747449 [0,1,0,0,0,0|2,1,0]=4 951 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [0,1,0,0,0,0|1,1,0]=3 952 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [0,1,0,0,0,0|1,1,0]=3 953 B12R1.27 COC(=O)CSc1ccncn1 62a_100000703185_100000747449 [0,1,0,0,0,0|2,1,0]=4 954 B12R1.27 COC(=O)CSc1ccncn1 62a_100000747449_100000703185 [0,1,0,0,0,0|2,1,0]=4 955 B12R1.27 COC(=O)CSc1ccnnc1 62a_100000732662_100000747449 [0,1,0,0,0,0|2,1,0]=4 956 B12R1.27 COC(=O)CSc1ccnnc1 62a_100000747449_100000732662 [0,1,0,0,0,0|2,1,0]=4 957 B12R1.27 COC(=O)CSc1cnccn1 62a_100000211759_100000747449 [0,1,0,0,0,0|2,1,0]=4 958 B12R1.27 COC(=O)CSc1cnccn1 62a_100000747449_100000211759 [0,1,0,0,0,0|2,1,0]=4 959 B12R1.27 COC(=O)CSc1cncnc1 62a_100000747449_100011206942 [0,1,0,0,0,0|2,1,0]=4 960 B12R1.27 COC(=O)CSc1cncnc1 62a_100011206942_100000747449 [0,1,0,0,0,0|2,1,0]=4 961 B12R1.27 COC(=O)CSc1ncccn1 62a_100000211032_100000747449 [0,1,0,0,0,0|2,1,0]=4 962 B12R1.27 COC(=O)CSc1ncccn1 62a_100000747449_100000211032 [0,1,0,0,0,0|2,1,0]=4 963 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,1,0,0,0,0|1,0,1]=3 964 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,1,0,0,0,0|1,0,1]=3 965 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,1,0,0,0,0|2,0,1]=4 966 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,1,0,0,0,0|2,0,1]=4 967 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,1,0,0,0,0|2,0,1]=4 968 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,1,0,0,0,0|2,0,1]=4 969 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,1,0,0,0,0|2,0,1]=4 970 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,1,0,0,0,0|1,0,1]=3 971 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,1,0,0,0,0|1,0,1]=3 972 B12R1.27 C[C@@H](CO)COc1cccnc1 34a_100000210849_100000059175 [0,1,0,0,0,0|2,0,1]=4 973 B12R1.27 C[C@@H](CO)COc1cccnc1 7a_100000210849_100000059175 [0,1,0,0,0,0|2,0,1]=4 974 B12R1.27 C[C@@H](CO)COc1ccncc1 34a_100000212176_100000059175 [0,1,0,0,0,0|2,0,1]=4 975 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,1,0,0,0,0|1,1,1]=4 976 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,1,0,0,0,0|1,1,1]=4 977 B12R1.27 O=C(C#Cc1ccccc1)CF 1458a_100000736102_100015361967 [0,1,0,0,0,0|2,0,1]=4 978 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [0,1,0,0,0,0|2,0,1]=4 979 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,1,0,0,0,0|2,0,0]=3 980 B12R1.27 O=C(CF)CCc1ccccn1 1458a_100015195070_100015361967 [0,1,0,0,0,0|3,0,0]=4 981 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [0,1,0,0,0,0|3,0,0]=4 982 B12R1.27 O=C(CF)CCc1ccncc1 1458a_100011225043_100015361967 [0,1,0,0,0,0|3,0,0]=4 983 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,1,0,0,0,0|1,0,0]=2 984 B12R1.27 O=C(CF)COc1ccccn1 1458a_100102699861_100015361967 [0,1,0,0,0,0|2,0,0]=3 985 B12R1.27 O=C(CF)COc1cccnc1 1458a_100015207166_100015361967 [0,1,0,0,0,0|2,0,0]=3 986 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,1,0,0,0,0|1,1,0]=3 987 B12R1.27 O=C(CF)CSc1ccccn1 1458a_100000156281_100015361967 [0,1,0,0,0,0|2,1,0]=4 988 B12R1.27 O=C(CF)CSc1ccncc1 1458a_100000211328_100015361967 [0,1,0,0,0,0|2,1,0]=4 989 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,1,0,0,0,0|1,0,0]=2 990 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,1,0,0,0,0|2,0,0]=3 991 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,1,0,0,0,0|2,0,0]=3 992 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,1,0,0,0,0|2,0,0]=3 993 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,1,0,0,0,0|2,0,0]=3 994 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,1,0,0,0,0|2,0,0]=3 995 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,1,0,0,0,0|3,0,0]=4 996 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,1,0,0,0,0|3,0,0]=4 997 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,1,0,0,0,0|3,0,0]=4 998 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,1,0,0,0,0|3,0,0]=4 999 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [0,1,0,0,0,0|3,0,0]=4 1000 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [0,1,0,0,0,0|3,0,0]=4 1001 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,1,0,0,0,0|2,0,0]=3 1002 B12R1.27 O=C(CO)NNc1ccccn1 22a_100000183288_100000210174 [0,1,0,0,0,0|3,0,0]=4 1003 B12R1.27 O=C(CO)NNc1cccnc1 22a_100000728903_100000210174 [0,1,0,0,0,0|3,0,0]=4 1004 B12R1.27 O=C(CO)NNc1ccncc1 22a_100000698918_100000210174 [0,1,0,0,0,0|3,0,0]=4 1005 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,1,0,0,0,0|1,0,2]=4 1006 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,1,0,0,0,0|0,0,2]=3 1007 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,1,0,0,0,0|0,0,2]=3 1008 B12R1.27 OCC(O)COc1cccnc1 34a_100000210849_100011219619 [0,1,0,0,0,0|1,0,2]=4 1009 B12R1.27 OCC(O)COc1cccnc1 7a_100000210849_100011219619 [0,1,0,0,0,0|1,0,2]=4 1010 B12R1.27 OCC(O)COc1ccncc1 34a_100000212176_100011219619 [0,1,0,0,0,0|1,0,2]=4 1011 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,1,0,0,0,0|0,1,2]=4 1012 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,1,0,0,0,0|0,1,2]=4 1013 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,1,0,0,0,0|1,0,2]=4 1014 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,1,0,0,0,0|0,0,2]=3 1015 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,1,0,0,0,0|0,0,2]=3 1016 B12R1.27 OC[C@H](O)COc1cccnc1 34a_100000210849_100009815848 [0,1,0,0,0,0|1,0,2]=4 1017 B12R1.27 OC[C@H](O)COc1cccnc1 7a_100000210849_100009815848 [0,1,0,0,0,0|1,0,2]=4 1018 B12R1.27 OC[C@H](O)COc1ccncc1 34a_100000212176_100009815848 [0,1,0,0,0,0|1,0,2]=4 1019 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,1,0,0,0,0|0,1,2]=4 1020 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,1,0,0,0,0|0,1,2]=4 1021 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [0,1,0,0,0,0|2,0,1]=4 1022 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,1,0,0,0,0|1,0,1]=3 1023 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,1,0,0,0,0|1,0,1]=3 1024 B12R1.27 O[C@@H](CF)COc1cccnc1 34a_100000210849_100015614560 [0,1,0,0,0,0|2,0,1]=4 1025 B12R1.27 O[C@@H](CF)COc1cccnc1 7a_100000210849_100015614560 [0,1,0,0,0,0|2,0,1]=4 1026 B12R1.27 O[C@@H](CF)COc1ccncc1 34a_100000212176_100015614560 [0,1,0,0,0,0|2,0,1]=4 1027 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [0,1,0,0,0,0|1,1,1]=4 1028 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [0,1,0,0,0,0|1,1,1]=4 1029 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,0,0,0,0|2,0,1]=4 1030 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,0,0,0,0|2,0,1]=4 1031 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,1,0,0,0,0|2,0,1]=4 1032 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,1,0,0,0,0|2,0,1]=4 1033 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,1,0,0,0,0|2,0,1]=4 1034 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,0,0|2,0,0]=3 1035 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,0,0|2,0,0]=3 1036 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,1,0,0,0,0|3,0,0]=4 1037 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,0,0,0,0|1,0,0]=2 1038 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,0,0,0,0|1,0,0]=2 1039 B12R1.43 CC(=O)C(C)Oc1cccnc1 7a_100000210849_100000179758 [0,1,0,0,0,0|2,0,0]=3 1040 B12R1.43 CC(=O)C(C)Oc1cncnc1 7a_100000754086_100000179758 [0,1,0,0,0,0|3,0,0]=4 1041 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,1,0,0,0,0|1,1,0]=3 1042 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,1,0,0,0,0|1,1,0]=3 1043 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,1,0,0,0,0|1,1,0]=3 1044 B12R1.43 CC(=O)C(C)Sc1ccccn1 1458a_100000156770_200000210301 [0,1,0,0,0,0|2,1,0]=4 1045 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100009814033_100011216584 [0,1,0,0,0,0|2,1,0]=4 1046 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100011216584_100009814033 [0,1,0,0,0,0|2,1,0]=4 1047 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100000210063_100009814033 [0,1,0,0,0,0|2,1,0]=4 1048 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100009814033_100000210063 [0,1,0,0,0,0|2,1,0]=4 1049 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100000728582_100009814033 [0,1,0,0,0,0|2,1,0]=4 1050 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100009814033_100000728582 [0,1,0,0,0,0|2,1,0]=4 1051 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,0,0|3,0,0]=4 1052 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,0,0|3,0,0]=4 1053 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,0,0|3,0,0]=4 1054 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,0,0|3,0,0]=4 1055 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,0|2,0,0]=3 1056 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,0,0|2,0,0]=3 1057 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,1,0,0,0,0|3,0,0]=4 1058 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,1,0,0,0,0|2,0,0]=3 1059 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,1,0,0,0,0|1,0,0]=2 1060 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,1,0,0,0,0|1,0,0]=2 1061 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,0,0,0,0|1,0,0]=2 1062 B12R1.43 CC(Oc1cccnc1)C(=O)N 34a_100000210849_100000702099 [0,1,0,0,0,0|2,0,0]=3 1063 B12R1.43 CC(Oc1cccnc1)C(=O)N 7a_100000210849_100000702099 [0,1,0,0,0,0|2,0,0]=3 1064 B12R1.43 CC(Oc1ccncc1)C(=O)N 34a_100000212176_100000702099 [0,1,0,0,0,0|2,0,0]=3 1065 B12R1.43 CC(Oc1ccnnc1)C(=O)N 34a_100015204005_100000702099 [0,1,0,0,0,0|3,0,0]=4 1066 B12R1.43 CC(Oc1cncnc1)C(=O)N 7a_100000754086_100000702099 [0,1,0,0,0,0|3,0,0]=4 1067 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,1,0,0,0,0|1,1,0]=3 1068 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,1,0,0,0,0|1,1,0]=3 1069 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,1,0,0,0,0|1,1,0]=3 1070 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100000702099_100011216584 [0,1,0,0,0,0|2,1,0]=4 1071 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100011216584_100000702099 [0,1,0,0,0,0|2,1,0]=4 1072 B12R1.43 CC(Sc1ccccn1)C(=O)[13CH3] 1458a_100000156770_200025704644 [0,1,0,0,0,0|2,1,0]=4 1073 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000210063_100000702099 [0,1,0,0,0,0|2,1,0]=4 1074 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000702099_100000210063 [0,1,0,0,0,0|2,1,0]=4 1075 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000702099_100000728582 [0,1,0,0,0,0|2,1,0]=4 1076 B12R1.43 CC(Sc1ccncc1)C(=O)N 62a_100000728582_100000702099 [0,1,0,0,0,0|2,1,0]=4 1077 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,1,0,0,0,0|2,0,1]=4 1078 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,1,0,0,0,0|2,0,0]=3 1079 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,1,0,0,0,0|1,0,0]=2 1080 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,1,0,0,0,0|1,0,0]=2 1081 B12R1.43 NC(=O)C(F)Oc1cccnc1 34a_100000210849_100009813875 [0,1,0,0,0,0|2,0,0]=3 1082 B12R1.43 NC(=O)C(F)Oc1cccnc1 7a_100000210849_100009813875 [0,1,0,0,0,0|2,0,0]=3 1083 B12R1.43 NC(=O)C(F)Oc1ccncc1 34a_100000212176_100009813875 [0,1,0,0,0,0|2,0,0]=3 1084 B12R1.43 NC(=O)C(F)Oc1ccnnc1 34a_100015204005_100009813875 [0,1,0,0,0,0|3,0,0]=4 1085 B12R1.43 NC(=O)C(F)Oc1cncnc1 7a_100000754086_100009813875 [0,1,0,0,0,0|3,0,0]=4 1086 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,1,0,0,0,0|1,1,0]=3 1087 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,1,0,0,0,0|1,1,0]=3 1088 B12R1.43 NC(=O)C(F)Sc1ccccn1 62a_100009813875_100011216584 [0,1,0,0,0,0|2,1,0]=4 1089 B12R1.43 NC(=O)C(F)Sc1ccccn1 62a_100011216584_100009813875 [0,1,0,0,0,0|2,1,0]=4 1090 B12R1.43 NC(=O)C(F)Sc1cccnc1 62a_100000210063_100009813875 [0,1,0,0,0,0|2,1,0]=4 1091 B12R1.43 NC(=O)C(F)Sc1cccnc1 62a_100009813875_100000210063 [0,1,0,0,0,0|2,1,0]=4 1092 B12R1.43 NC(=O)C(F)Sc1ccncc1 62a_100000728582_100009813875 [0,1,0,0,0,0|2,1,0]=4 1093 B12R1.43 NC(=O)C(F)Sc1ccncc1 62a_100009813875_100000728582 [0,1,0,0,0,0|2,1,0]=4 1094 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [0,1,0,0,0,0|1,0,1]=3 1095 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [0,1,0,0,0,0|0,0,1]=2 1096 B12R1.43 O=C([O-])C(F)Oc1cccnc1 34a_100000210849_100020610796 [0,1,0,0,0,0|1,0,1]=3 1097 B12R1.43 O=C([O-])C(F)Oc1ccncc1 34a_100000212176_100020610796 [0,1,0,0,0,0|1,0,1]=3 1098 B12R1.43 O=C([O-])C(F)Oc1ccnnc1 34a_100015204005_100020610796 [0,1,0,0,0,0|2,0,1]=4 1099 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [0,1,0,0,0,0|0,1,1]=3 1100 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [0,1,0,0,0,0|0,1,1]=3 1101 B12R1.43 O=C([O-])C(F)Sc1ccccn1 62a_100011216584_100020610796 [0,1,0,0,0,0|1,1,1]=4 1102 B12R1.43 O=C([O-])C(F)Sc1ccccn1 62a_100020610796_100011216584 [0,1,0,0,0,0|1,1,1]=4 1103 B12R1.43 O=C([O-])C(F)Sc1cccnc1 62a_100000210063_100020610796 [0,1,0,0,0,0|1,1,1]=4 1104 B12R1.43 O=C([O-])C(F)Sc1cccnc1 62a_100020610796_100000210063 [0,1,0,0,0,0|1,1,1]=4 1105 B12R1.43 O=C([O-])C(F)Sc1ccncc1 62a_100000728582_100020610796 [0,1,0,0,0,0|1,1,1]=4 1106 B12R1.43 O=C([O-])C(F)Sc1ccncc1 62a_100020610796_100000728582 [0,1,0,0,0,0|1,1,1]=4 1107 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,1,0,0,0,0|2,0,1]=4 1108 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,1,0,0,0,0|2,0,1]=4 1109 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,1,0,0,0,0|2,0,1]=4 1110 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,0|2,0,0]=3 1111 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [0,1,0,0,0,0|3,0,0]=4 1112 B12R1.107 C=C(C)CN(C)c1ccccc1 2230a_100000210012_100000748629 [0,1,0,0,0,0|3,0,0]=4 1113 B12R1.107 C=C(C)CN(C)c1ccccc1 269982a_100000210012_100000748629 [0,1,0,0,0,0|3,0,0]=4 1114 B12R1.107 C=C(C)CN(C)c1ccccc1 34a_100000210012_100000748629 [0,1,0,0,0,0|3,0,0]=4 1115 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [0,1,0,0,0,0|3,0,0]=4 1116 B12R1.107 C=C(F)CN(C)c1ccccc1 2230a_100000210012_100009893438 [0,1,0,0,0,0|3,0,0]=4 1117 B12R1.107 C=C(F)CN(C)c1ccccc1 269982a_100000210012_100009893438 [0,1,0,0,0,0|3,0,0]=4 1118 B12R1.107 C=C(F)CN(C)c1ccccc1 34a_100000210012_100009893438 [0,1,0,0,0,0|3,0,0]=4 1119 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [0,1,0,0,0,0|2,0,1]=4 1120 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [0,1,0,0,0,0|2,0,1]=4 1121 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [0,1,0,0,0,0|2,0,0]=3 1122 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [0,1,0,0,0,0|3,0,0]=4 1123 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [0,1,0,0,0,0|3,0,0]=4 1124 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [0,1,0,0,0,0|3,0,0]=4 1125 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [0,1,0,0,0,0|2,0,0]=3 1126 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [0,1,0,0,0,0|2,0,0]=3 1127 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [0,1,0,0,0,0|2,0,0]=3 1128 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [0,1,0,0,0,0|2,0,0]=3 1129 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [0,1,0,0,0,0|2,0,0]=3 1130 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [0,1,0,0,0,0|2,0,0]=3 1131 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,1,0,0,0,0|3,0,0]=4 1132 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,1,0,0,0,0|3,0,0]=4 1133 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,1,0,0,0,0|3,0,0]=4 1134 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,1,0,0,0,0|3,0,0]=4 1135 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [0,1,0,0,0,0|2,0,0]=3 1136 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [0,1,0,0,0,0|2,0,1]=4 1137 B12R1.107 CC(O)CN(C)c1ccccc1 2230a_100000210012_100011218427 [0,1,0,0,0,0|2,0,1]=4 1138 B12R1.107 CC(O)CN(C)c1ccccc1 269982a_100000210012_100011218427 [0,1,0,0,0,0|2,0,1]=4 1139 B12R1.107 CC(O)CN(C)c1ccccc1 34a_100000210012_100011218427 [0,1,0,0,0,0|2,0,1]=4 1140 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000210012_100000747473 [0,1,0,0,0,0|2,0,0]=3 1141 B12R1.107 CN(CC(=O)N)c1ccccc1 2230a_100000212578_200000210301 [0,1,0,0,0,0|2,0,0]=3 1142 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000210012_100000187820 [0,1,0,0,0,0|2,0,0]=3 1143 B12R1.107 CN(CC(=O)N)c1ccccc1 269982a_100000212578_200000210301 [0,1,0,0,0,0|2,0,0]=3 1144 B12R1.107 CN(CC(=O)N)c1ccccc1 34a_100000210012_100000187820 [0,1,0,0,0,0|2,0,0]=3 1145 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [0,1,0,0,0,0|1,0,0]=2 1146 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [0,1,0,0,0,0|2,0,0]=3 1147 B12R1.107 CN(CC(=O)[O-])c1ccccc1 269982a_100000210012_100020667443 [0,1,0,0,0,0|1,0,1]=3 1148 B12R1.107 CN(CC(=O)[O-])c1ccccc1 34a_100000210012_100020667443 [0,1,0,0,0,0|1,0,1]=3 1149 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 269982a_100000210012_100000761209 [0,1,0,0,0,0|2,0,1]=4 1150 B12R1.107 CN(C[N+](=O)[O-])c1ccccc1 34a_100000210012_100000761209 [0,1,0,0,0,0|2,0,1]=4 1151 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 2230a_100000210012_100009817552 [0,1,0,0,0,0|2,0,1]=4 1152 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 269982a_100000210012_100009817552 [0,1,0,0,0,0|2,0,1]=4 1153 B12R1.107 C[C@@H](O)CN(C)c1ccccc1 34a_100000210012_100009817552 [0,1,0,0,0,0|2,0,1]=4 1154 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [0,1,0,0,0,0|2,0,0]=3 1155 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [0,1,0,0,0,0|2,0,1]=4 1156 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [0,1,0,0,0,0|1,0,1]=3 1157 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [0,1,0,0,0,0|2,0,0]=3 1158 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 2230a_100000212578_200025704644 [0,1,0,0,0,0|2,0,0]=3 1159 B12R1.107 [13CH3]N(CC(=O)N)c1ccccc1 269982a_100000212578_200025704644 [0,1,0,0,0,0|2,0,0]=3 1160 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [0,1,0,0,0,0|1,0,0]=2 1161 B12R1.125 C=C(C)CNc1ccccc1Br 34a_100000210017_100000748629 [0,1,0,0,0,0|3,0,0]=4 1162 B12R1.125 C=C(C)CNc1ccccc1C 34a_100015192222_100000748629 [0,1,0,0,0,0|3,0,0]=4 1163 B12R1.125 C=C(C)CNc1ccccc1Cl 34a_100000185783_100000748629 [0,1,0,0,0,0|3,0,0]=4 1164 B12R1.125 C=C(C)CNc1ccccc1F 34a_100000210422_100000748629 [0,1,0,0,0,0|3,0,0]=4 1165 B12R1.125 C=C(C)CNc1ccccc1I 34a_100000210053_100000748629 [0,1,0,0,0,0|3,0,0]=4 1166 B12R1.125 C=C(C)CNc1ccccc1O 34a_100000185747_100000748629 [0,1,0,0,0,0|3,0,0]=4 1167 B12R1.125 C=C(C)COc1cccc[n+]1[O-] 7a_100000211761_100000748629 [0,1,0,0,0,0|3,0,0]=4 1168 B12R1.125 C=C(C)COc1ccccc1Br 34a_100000181306_100000748629 [0,1,0,0,0,0|2,0,0]=3 1169 B12R1.125 C=C(C)COc1ccccc1Br 7a_100000181306_100000748629 [0,1,0,0,0,0|2,0,0]=3 1170 B12R1.125 C=C(C)COc1ccccc1C 34a_100000210338_100000748629 [0,1,0,0,0,0|2,0,0]=3 1171 B12R1.125 C=C(C)COc1ccccc1C 7a_100000210338_100000748629 [0,1,0,0,0,0|2,0,0]=3 1172 B12R1.125 C=C(C)COc1ccccc1Cl 34a_100000210172_100000748629 [0,1,0,0,0,0|2,0,0]=3 1173 B12R1.125 C=C(C)COc1ccccc1Cl 7a_100000210172_100000748629 [0,1,0,0,0,0|2,0,0]=3 1174 B12R1.125 C=C(C)COc1ccccc1F 34a_100000210171_100000748629 [0,1,0,0,0,0|2,0,0]=3 1175 B12R1.125 C=C(C)COc1ccccc1F 7a_100000210171_100000748629 [0,1,0,0,0,0|2,0,0]=3 1176 B12R1.125 C=C(C)COc1ccccc1I 34a_100000739446_100000748629 [0,1,0,0,0,0|2,0,0]=3 1177 B12R1.125 C=C(C)COc1ccccc1I 7a_100000739446_100000748629 [0,1,0,0,0,0|2,0,0]=3 1178 B12R1.125 C=C(C)COc1ccccc1N 34a_100000185747_100000748629 [0,1,0,0,0,0|2,0,0]=3 1179 B12R1.125 C=C(C)COc1ccccc1N 7a_100000185747_100000748629 [0,1,0,0,0,0|2,0,0]=3 1180 B12R1.125 C=C(C)COc1cccnc1Br 34a_100000744436_100000748629 [0,1,0,0,0,0|3,0,0]=4 1181 B12R1.125 C=C(C)COc1cccnc1Br 7a_100000744436_100000748629 [0,1,0,0,0,0|3,0,0]=4 1182 B12R1.125 C=C(C)COc1cccnc1C 34a_100000745507_100000748629 [0,1,0,0,0,0|3,0,0]=4 1183 B12R1.125 C=C(C)COc1cccnc1C 7a_100000745507_100000748629 [0,1,0,0,0,0|3,0,0]=4 1184 B12R1.125 C=C(C)COc1cccnc1Cl 34a_100000757616_100000748629 [0,1,0,0,0,0|3,0,0]=4 1185 B12R1.125 C=C(C)COc1cccnc1Cl 7a_100000757616_100000748629 [0,1,0,0,0,0|3,0,0]=4 1186 B12R1.125 C=C(C)COc1cccnc1F 34a_100000061740_100000748629 [0,1,0,0,0,0|3,0,0]=4 1187 B12R1.125 C=C(C)COc1cccnc1F 7a_100000061740_100000748629 [0,1,0,0,0,0|3,0,0]=4 1188 B12R1.125 C=C(C)COc1cccnc1I 34a_100000034122_100000748629 [0,1,0,0,0,0|3,0,0]=4 1189 B12R1.125 C=C(C)COc1cccnc1I 7a_100000034122_100000748629 [0,1,0,0,0,0|3,0,0]=4 1190 B12R1.125 C=C(C)COc1cccnc1N 34a_100000211975_100000748629 [0,1,0,0,0,0|3,0,0]=4 1191 B12R1.125 C=C(C)COc1cccnc1N 7a_100000211975_100000748629 [0,1,0,0,0,0|3,0,0]=4 1192 B12R1.125 C=C(C)COc1cccoc1=O 34a_100000077404_100000748629 [0,1,0,0,0,0|3,0,0]=4 1193 B12R1.125 C=C(C)COc1cccoc1=O 7a_100000077404_100000748629 [0,1,0,0,0,0|3,0,0]=4 1194 B12R1.125 C=C(C)COc1ccncc1Br 34a_100011996408_100000748629 [0,1,0,0,0,0|3,0,0]=4 1195 B12R1.125 C=C(C)COc1ccncc1C 34a_100000694293_100000748629 [0,1,0,0,0,0|3,0,0]=4 1196 B12R1.125 C=C(C)COc1ccncc1Cl 34a_100011997054_100000748629 [0,1,0,0,0,0|3,0,0]=4 1197 B12R1.125 C=C(C)COc1ccncc1F 34a_200000081243_100000748629 [0,1,0,0,0,0|3,0,0]=4 1198 B12R1.125 C=C(C)COc1cnccc1C 34a_100011997053_100000748629 [0,1,0,0,0,0|3,0,0]=4 1199 B12R1.125 C=C(C)COc1cnccc1C 7a_100011997053_100000748629 [0,1,0,0,0,0|3,0,0]=4 1200 B12R1.125 C=C(C)COc1cnccc1Cl 34a_100011996695_100000748629 [0,1,0,0,0,0|3,0,0]=4 1201 B12R1.125 C=C(C)COc1cnccc1I 34a_100000050107_100000748629 [0,1,0,0,0,0|3,0,0]=4 1202 B12R1.125 C=C(C)COc1cnccc1N 34a_100000753702_100000748629 [0,1,0,0,0,0|3,0,0]=4 1203 B12R1.125 C=C(C)COc1coccc1=O 34a_100000060831_100000748629 [0,1,0,0,0,0|3,0,0]=4 1204 B12R1.125 C=C(C)COc1ncccc1Cl 34a_100011290957_100000748629 [0,1,0,0,0,0|3,0,0]=4 1205 B12R1.125 C=C(C)COc1ncccc1F 34a_100011219419_100000748629 [0,1,0,0,0,0|3,0,0]=4 1206 B12R1.125 C=C(C)COc1ncccc1N 34a_100000746358_100000748629 [0,1,0,0,0,0|3,0,0]=4 1207 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000695589_100000211660 [0,1,0,0,0,0|2,1,0]=4 1208 B12R1.125 C=C(C)CSc1ccccc1Br 62a_100000748629_100000695589 [0,1,0,0,0,0|2,1,0]=4 1209 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000210755_100000211660 [0,1,0,0,0,0|2,1,0]=4 1210 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000748629_100000210755 [0,1,0,0,0,0|2,1,0]=4 1211 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000748629_100000764095 [0,1,0,0,0,0|2,1,0]=4 1212 B12R1.125 C=C(C)CSc1ccccc1Cl 62a_100000764095_100000211660 [0,1,0,0,0,0|2,1,0]=4 1213 B12R1.125 C=C(C)CSc1ccccc1F 62a_100000748629_100011215700 [0,1,0,0,0,0|2,1,0]=4 1214 B12R1.125 C=C(C)CSc1ccccc1F 62a_100011215700_100000211660 [0,1,0,0,0,0|2,1,0]=4 1215 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000210017_100000211660 [0,1,0,0,0,0|2,1,0]=4 1216 B12R1.125 C=C(C)CSc1ccccc1N 62a_100000748629_100000210017 [0,1,0,0,0,0|2,1,0]=4 1217 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000739446_100000211660 [0,1,0,0,0,0|2,1,0]=4 1218 B12R1.125 C=C(C)CSc1ccccc1O 62a_100000748629_100000739446 [0,1,0,0,0,0|2,1,0]=4 1219 B12R1.125 C=C(F)CNc1ccccc1Br 34a_100000210017_100009893438 [0,1,0,0,0,0|3,0,0]=4 1220 B12R1.125 C=C(F)CNc1ccccc1C 34a_100015192222_100009893438 [0,1,0,0,0,0|3,0,0]=4 1221 B12R1.125 C=C(F)CNc1ccccc1Cl 34a_100000185783_100009893438 [0,1,0,0,0,0|3,0,0]=4 1222 B12R1.125 C=C(F)CNc1ccccc1F 34a_100000210422_100009893438 [0,1,0,0,0,0|3,0,0]=4 1223 B12R1.125 C=C(F)CNc1ccccc1I 34a_100000210053_100009893438 [0,1,0,0,0,0|3,0,0]=4 1224 B12R1.125 C=C(F)CNc1ccccc1O 34a_100000185747_100009893438 [0,1,0,0,0,0|3,0,0]=4 1225 B12R1.125 C=C(F)COc1cccc[n+]1[O-] 7a_100000211761_100000042424 [0,1,0,0,0,0|3,0,0]=4 1226 B12R1.125 C=C(F)COc1ccccc1Br 34a_100000181306_100009893438 [0,1,0,0,0,0|2,0,0]=3 1227 B12R1.125 C=C(F)COc1ccccc1Br 7a_100000181306_100000042424 [0,1,0,0,0,0|2,0,0]=3 1228 B12R1.125 C=C(F)COc1ccccc1C 34a_100000210338_100009893438 [0,1,0,0,0,0|2,0,0]=3 1229 B12R1.125 C=C(F)COc1ccccc1C 7a_100000210338_100000042424 [0,1,0,0,0,0|2,0,0]=3 1230 B12R1.125 C=C(F)COc1ccccc1Cl 34a_100000210172_100009893438 [0,1,0,0,0,0|2,0,0]=3 1231 B12R1.125 C=C(F)COc1ccccc1Cl 7a_100000210172_100000042424 [0,1,0,0,0,0|2,0,0]=3 1232 B12R1.125 C=C(F)COc1ccccc1F 34a_100000210171_100009893438 [0,1,0,0,0,0|2,0,0]=3 1233 B12R1.125 C=C(F)COc1ccccc1F 7a_100000210171_100000042424 [0,1,0,0,0,0|2,0,0]=3 1234 B12R1.125 C=C(F)COc1ccccc1I 34a_100000739446_100009893438 [0,1,0,0,0,0|2,0,0]=3 1235 B12R1.125 C=C(F)COc1ccccc1I 7a_100000739446_100000042424 [0,1,0,0,0,0|2,0,0]=3 1236 B12R1.125 C=C(F)COc1ccccc1N 34a_100000185747_100009893438 [0,1,0,0,0,0|2,0,0]=3 1237 B12R1.125 C=C(F)COc1ccccc1N 7a_100000185747_100000042424 [0,1,0,0,0,0|2,0,0]=3 1238 B12R1.125 C=C(F)COc1cccnc1Br 34a_100000744436_100009893438 [0,1,0,0,0,0|3,0,0]=4 1239 B12R1.125 C=C(F)COc1cccnc1Br 7a_100000744436_100000042424 [0,1,0,0,0,0|3,0,0]=4 1240 B12R1.125 C=C(F)COc1cccnc1C 34a_100000745507_100009893438 [0,1,0,0,0,0|3,0,0]=4 1241 B12R1.125 C=C(F)COc1cccnc1C 7a_100000745507_100000042424 [0,1,0,0,0,0|3,0,0]=4 1242 B12R1.125 C=C(F)COc1cccnc1Cl 34a_100000757616_100009893438 [0,1,0,0,0,0|3,0,0]=4 1243 B12R1.125 C=C(F)COc1cccnc1Cl 7a_100000757616_100000042424 [0,1,0,0,0,0|3,0,0]=4 1244 B12R1.125 C=C(F)COc1cccnc1F 34a_100000061740_100009893438 [0,1,0,0,0,0|3,0,0]=4 1245 B12R1.125 C=C(F)COc1cccnc1F 7a_100000061740_100000042424 [0,1,0,0,0,0|3,0,0]=4 1246 B12R1.125 C=C(F)COc1cccnc1I 34a_100000034122_100009893438 [0,1,0,0,0,0|3,0,0]=4 1247 B12R1.125 C=C(F)COc1cccnc1I 7a_100000034122_100000042424 [0,1,0,0,0,0|3,0,0]=4 1248 B12R1.125 C=C(F)COc1cccnc1N 34a_100000211975_100009893438 [0,1,0,0,0,0|3,0,0]=4 1249 B12R1.125 C=C(F)COc1cccnc1N 7a_100000211975_100000042424 [0,1,0,0,0,0|3,0,0]=4 1250 B12R1.125 C=C(F)COc1cccoc1=O 34a_100000077404_100009893438 [0,1,0,0,0,0|3,0,0]=4 1251 B12R1.125 C=C(F)COc1cccoc1=O 7a_100000077404_100000042424 [0,1,0,0,0,0|3,0,0]=4 1252 B12R1.125 C=C(F)COc1ccncc1Br 34a_100011996408_100009893438 [0,1,0,0,0,0|3,0,0]=4 1253 B12R1.125 C=C(F)COc1ccncc1C 34a_100000694293_100009893438 [0,1,0,0,0,0|3,0,0]=4 1254 B12R1.125 C=C(F)COc1ccncc1Cl 34a_100011997054_100009893438 [0,1,0,0,0,0|3,0,0]=4 1255 B12R1.125 C=C(F)COc1ccncc1F 34a_200000081243_100009893438 [0,1,0,0,0,0|3,0,0]=4 1256 B12R1.125 C=C(F)COc1cnccc1C 34a_100011997053_100009893438 [0,1,0,0,0,0|3,0,0]=4 1257 B12R1.125 C=C(F)COc1cnccc1C 7a_100011997053_100000042424 [0,1,0,0,0,0|3,0,0]=4 1258 B12R1.125 C=C(F)COc1cnccc1Cl 34a_100011996695_100009893438 [0,1,0,0,0,0|3,0,0]=4 1259 B12R1.125 C=C(F)COc1cnccc1I 34a_100000050107_100009893438 [0,1,0,0,0,0|3,0,0]=4 1260 B12R1.125 C=C(F)COc1cnccc1N 34a_100000753702_100009893438 [0,1,0,0,0,0|3,0,0]=4 1261 B12R1.125 C=C(F)COc1coccc1=O 34a_100000060831_100009893438 [0,1,0,0,0,0|3,0,0]=4 1262 B12R1.125 C=C(F)COc1ncccc1Cl 34a_100011290957_100009893438 [0,1,0,0,0,0|3,0,0]=4 1263 B12R1.125 C=C(F)COc1ncccc1F 34a_100011219419_100009893438 [0,1,0,0,0,0|3,0,0]=4 1264 B12R1.125 C=C(F)COc1ncccc1N 34a_100000746358_100009893438 [0,1,0,0,0,0|3,0,0]=4 1265 B12R1.125 C=C(F)CSc1ccccc1Br 62a_100000042424_100000695589 [0,1,0,0,0,0|2,1,0]=4 1266 B12R1.125 C=C(F)CSc1ccccc1Br 62a_100000695589_100000042424 [0,1,0,0,0,0|2,1,0]=4 1267 B12R1.125 C=C(F)CSc1ccccc1C 62a_100000042424_100000210755 [0,1,0,0,0,0|2,1,0]=4 1268 B12R1.125 C=C(F)CSc1ccccc1C 62a_100000210755_100000042424 [0,1,0,0,0,0|2,1,0]=4 1269 B12R1.125 C=C(F)CSc1ccccc1Cl 62a_100000042424_100000764095 [0,1,0,0,0,0|2,1,0]=4 1270 B12R1.125 C=C(F)CSc1ccccc1Cl 62a_100000764095_100000042424 [0,1,0,0,0,0|2,1,0]=4 1271 B12R1.125 C=C(F)CSc1ccccc1F 62a_100000042424_100011215700 [0,1,0,0,0,0|2,1,0]=4 1272 B12R1.125 C=C(F)CSc1ccccc1F 62a_100011215700_100000042424 [0,1,0,0,0,0|2,1,0]=4 1273 B12R1.125 C=C(F)CSc1ccccc1N 62a_100000042424_100000210017 [0,1,0,0,0,0|2,1,0]=4 1274 B12R1.125 C=C(F)CSc1ccccc1N 62a_100000210017_100000042424 [0,1,0,0,0,0|2,1,0]=4 1275 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000042424_100000739446 [0,1,0,0,0,0|2,1,0]=4 1276 B12R1.125 C=C(F)CSc1ccccc1O 62a_100000739446_100000042424 [0,1,0,0,0,0|2,1,0]=4 1277 B12R1.125 CC(=O)C#Cc1ccccc1F 1458a_100011892747_200000210301 [0,1,0,0,0,0|2,0,1]=4 1278 B12R1.125 CC(=O)C=Cc1ccccc1Br 1458a_100000719032_200000210301 [0,1,0,0,0,0|2,0,1]=4 1279 B12R1.125 CC(=O)C=Cc1ccccc1Cl 1458a_100000720304_200000210301 [0,1,0,0,0,0|2,0,1]=4 1280 B12R1.125 CC(=O)C=Cc1ccccc1F 1458a_100016256065_200000210301 [0,1,0,0,0,0|2,0,1]=4 1281 B12R1.125 CC(=O)C=Cc1ccccc1O 1458a_100016263591_200000210301 [0,1,0,0,0,0|2,0,1]=4 1282 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000070787_100012161201 [0,1,0,0,0,0|2,0,0]=3 1283 B12R1.125 CC(=O)CCc1ccccc1Br 1458a_100000740810_200000210301 [0,1,0,0,0,0|2,0,0]=3 1284 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,1,0,0,0,0|2,0,0]=3 1285 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,1,0,0,0,0|2,0,0]=3 1286 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000070787_100011713703 [0,1,0,0,0,0|2,0,0]=3 1287 B12R1.125 CC(=O)CCc1ccccc1Cl 1458a_100000184300_200000210301 [0,1,0,0,0,0|2,0,0]=3 1288 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000070787_100000720011 [0,1,0,0,0,0|2,0,0]=3 1289 B12R1.125 CC(=O)CCc1ccccc1F 1458a_100000189703_200000210301 [0,1,0,0,0,0|2,0,0]=3 1290 B12R1.125 CC(=O)CCc1ccccc1I 1458a_100000037306_200000210301 [0,1,0,0,0,0|2,0,0]=3 1291 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000070787_100000722297 [0,1,0,0,0,0|2,0,0]=3 1292 B12R1.125 CC(=O)CCc1ccccc1O 1458a_100000181328_200000210301 [0,1,0,0,0,0|2,0,0]=3 1293 B12R1.125 CC(=O)CCn1ccccc1=O 1458a_100000738505_200000210301 [0,1,0,0,0,0|3,0,0]=4 1294 B12R1.125 CC(=O)COc1ccccc1Br 1458a_100000216496_200000210301 [0,1,0,0,0,0|1,0,0]=2 1295 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,1,0,0,0,0|1,0,0]=2 1296 B12R1.125 CC(=O)COc1ccccc1Cl 1458a_100000185159_200000210301 [0,1,0,0,0,0|1,0,0]=2 1297 B12R1.125 CC(=O)COc1ccccc1F 1458a_100000182486_200000210301 [0,1,0,0,0,0|1,0,0]=2 1298 B12R1.125 CC(=O)COc1ccccc1O 1458a_100000183020_200000210301 [0,1,0,0,0,0|1,0,0]=2 1299 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,1,0,0,0,0|1,1,0]=3 1300 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,1,0,0,0,0|1,1,0]=3 1301 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,1,0,0,0,0|1,1,0]=3 1302 B12R1.125 CC(=O)NCc1ccccc1Br 11a_100000689332_100015343762 [0,1,0,0,0,0|3,0,0]=4 1303 B12R1.125 CC(=O)NCc1ccccc1Br 1626a_100000689332_100015343762 [0,1,0,0,0,0|3,0,0]=4 1304 B12R1.125 CC(=O)NCc1ccccc1Br 240690a_100000689332_100015343762 [0,1,0,0,0,0|3,0,0]=4 1305 B12R1.125 CC(=O)NCc1ccccc1Br 527a_100000689332_100103153847 [0,1,0,0,0,0|3,0,0]=4 1306 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,1,0,0,0,0|3,0,0]=4 1307 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,1,0,0,0,0|3,0,0]=4 1308 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,1,0,0,0,0|3,0,0]=4 1309 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,1,0,0,0,0|3,0,0]=4 1310 B12R1.125 CC(=O)NCc1ccccc1Cl 11a_100000174879_100015343762 [0,1,0,0,0,0|3,0,0]=4 1311 B12R1.125 CC(=O)NCc1ccccc1Cl 1626a_100000174879_100015343762 [0,1,0,0,0,0|3,0,0]=4 1312 B12R1.125 CC(=O)NCc1ccccc1Cl 240690a_100000174879_100015343762 [0,1,0,0,0,0|3,0,0]=4 1313 B12R1.125 CC(=O)NCc1ccccc1Cl 527a_100000174879_100103153847 [0,1,0,0,0,0|3,0,0]=4 1314 B12R1.125 CC(=O)NCc1ccccc1F 11a_100000174869_100015343762 [0,1,0,0,0,0|3,0,0]=4 1315 B12R1.125 CC(=O)NCc1ccccc1F 1626a_100000174869_100015343762 [0,1,0,0,0,0|3,0,0]=4 1316 B12R1.125 CC(=O)NCc1ccccc1F 240690a_100000174869_100015343762 [0,1,0,0,0,0|3,0,0]=4 1317 B12R1.125 CC(=O)NCc1ccccc1F 527a_100000174869_100103153847 [0,1,0,0,0,0|3,0,0]=4 1318 B12R1.125 CC(=O)NCc1ccccc1I 11a_100015347259_100015343762 [0,1,0,0,0,0|3,0,0]=4 1319 B12R1.125 CC(=O)NCc1ccccc1I 1626a_100015347259_100015343762 [0,1,0,0,0,0|3,0,0]=4 1320 B12R1.125 CC(=O)NCc1ccccc1I 240690a_100015347259_100015343762 [0,1,0,0,0,0|3,0,0]=4 1321 B12R1.125 CC(=O)NCc1ccccc1I 527a_100015347259_100103153847 [0,1,0,0,0,0|3,0,0]=4 1322 B12R1.125 CC(=O)NCc1ccccc1O 240690a_100000185550_100015343762 [0,1,0,0,0,0|3,0,0]=4 1323 B12R1.125 CC(=O)NCc1ccccc1O 271570a_203496583355_100011237613 [0,1,0,0,0,0|3,0,0]=4 1324 B12R1.125 CC(=O)NCc1ccccc1O 527a_100000185550_100103153847 [0,1,0,0,0,0|3,0,0]=4 1325 B12R1.125 CC(=O)NNc1ccccc1Br 22a_100000241748_100000070787 [0,1,0,0,0,0|3,0,0]=4 1326 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [0,1,0,0,0,0|3,0,0]=4 1327 B12R1.125 CC(=O)NNc1ccccc1Cl 22a_100000683529_100000070787 [0,1,0,0,0,0|3,0,0]=4 1328 B12R1.125 CC(=O)NNc1ccccc1F 22a_100000239246_100000070787 [0,1,0,0,0,0|3,0,0]=4 1329 B12R1.125 CC(=O)NNc1ccccc1I 22a_100011218156_100000070787 [0,1,0,0,0,0|3,0,0]=4 1330 B12R1.125 CC(C)COc1ccccc1Br 34a_100000181306_100000210624 [0,1,0,0,0,0|2,0,1]=4 1331 B12R1.125 CC(C)COc1ccccc1Br 7a_100000181306_100000210760 [0,1,0,0,0,0|2,0,1]=4 1332 B12R1.125 CC(C)COc1ccccc1Cl 34a_100000210172_100000210624 [0,1,0,0,0,0|2,0,1]=4 1333 B12R1.125 CC(C)COc1ccccc1Cl 7a_100000210172_100000210760 [0,1,0,0,0,0|2,0,1]=4 1334 B12R1.125 CC(C)COc1ccccc1F 34a_100000210171_100000210624 [0,1,0,0,0,0|2,0,1]=4 1335 B12R1.125 CC(C)COc1ccccc1F 7a_100000210171_100000210760 [0,1,0,0,0,0|2,0,1]=4 1336 B12R1.125 CC(C)COc1ccccc1I 34a_100000739446_100000210624 [0,1,0,0,0,0|2,0,1]=4 1337 B12R1.125 CC(C)COc1ccccc1I 7a_100000739446_100000210760 [0,1,0,0,0,0|2,0,1]=4 1338 B12R1.125 CC(C)COc1ccccc1N 34a_100000185747_100000210624 [0,1,0,0,0,0|2,0,1]=4 1339 B12R1.125 CC(C)COc1ccccc1N 7a_100000185747_100000210760 [0,1,0,0,0,0|2,0,1]=4 1340 B12R1.125 CC(O)CNc1ccccc1Br 34a_100000210017_100011218427 [0,1,0,0,0,0|2,0,1]=4 1341 B12R1.125 CC(O)CNc1ccccc1Cl 34a_100000185783_100011218427 [0,1,0,0,0,0|2,0,1]=4 1342 B12R1.125 CC(O)CNc1ccccc1F 34a_100000210422_100011218427 [0,1,0,0,0,0|2,0,1]=4 1343 B12R1.125 CC(O)CNc1ccccc1I 34a_100000210053_100011218427 [0,1,0,0,0,0|2,0,1]=4 1344 B12R1.125 CC(O)CNc1ccccc1O 34a_100000185747_100011218427 [0,1,0,0,0,0|2,0,1]=4 1345 B12R1.125 CC(O)COc1cccc[n+]1[O-] 7a_100000211761_100011218427 [0,1,0,0,0,0|2,0,1]=4 1346 B12R1.125 CC(O)COc1ccccc1Br 34a_100000181306_100011218427 [0,1,0,0,0,0|1,0,1]=3 1347 B12R1.125 CC(O)COc1ccccc1Br 7a_100000181306_100011218427 [0,1,0,0,0,0|1,0,1]=3 1348 B12R1.125 CC(O)COc1ccccc1Cl 34a_100000210172_100011218427 [0,1,0,0,0,0|1,0,1]=3 1349 B12R1.125 CC(O)COc1ccccc1Cl 7a_100000210172_100011218427 [0,1,0,0,0,0|1,0,1]=3 1350 B12R1.125 CC(O)COc1ccccc1F 34a_100000210171_100011218427 [0,1,0,0,0,0|1,0,1]=3 1351 B12R1.125 CC(O)COc1ccccc1F 7a_100000210171_100011218427 [0,1,0,0,0,0|1,0,1]=3 1352 B12R1.125 CC(O)COc1ccccc1I 34a_100000739446_100011218427 [0,1,0,0,0,0|1,0,1]=3 1353 B12R1.125 CC(O)COc1ccccc1I 7a_100000739446_100011218427 [0,1,0,0,0,0|1,0,1]=3 1354 B12R1.125 CC(O)COc1ccccc1N 34a_100000185747_100011218427 [0,1,0,0,0,0|1,0,1]=3 1355 B12R1.125 CC(O)COc1ccccc1N 7a_100000185747_100011218427 [0,1,0,0,0,0|1,0,1]=3 1356 B12R1.125 CC(O)COc1cccnc1Br 34a_100000744436_100011218427 [0,1,0,0,0,0|2,0,1]=4 1357 B12R1.125 CC(O)COc1cccnc1Br 7a_100000744436_100011218427 [0,1,0,0,0,0|2,0,1]=4 1358 B12R1.125 CC(O)COc1cccnc1Cl 34a_100000757616_100011218427 [0,1,0,0,0,0|2,0,1]=4 1359 B12R1.125 CC(O)COc1cccnc1Cl 7a_100000757616_100011218427 [0,1,0,0,0,0|2,0,1]=4 1360 B12R1.125 CC(O)COc1cccnc1F 34a_100000061740_100011218427 [0,1,0,0,0,0|2,0,1]=4 1361 B12R1.125 CC(O)COc1cccnc1F 7a_100000061740_100011218427 [0,1,0,0,0,0|2,0,1]=4 1362 B12R1.125 CC(O)COc1cccnc1I 34a_100000034122_100011218427 [0,1,0,0,0,0|2,0,1]=4 1363 B12R1.125 CC(O)COc1cccnc1I 7a_100000034122_100011218427 [0,1,0,0,0,0|2,0,1]=4 1364 B12R1.125 CC(O)COc1cccnc1N 34a_100000211975_100011218427 [0,1,0,0,0,0|2,0,1]=4 1365 B12R1.125 CC(O)COc1cccnc1N 7a_100000211975_100011218427 [0,1,0,0,0,0|2,0,1]=4 1366 B12R1.125 CC(O)COc1cccoc1=O 34a_100000077404_100011218427 [0,1,0,0,0,0|2,0,1]=4 1367 B12R1.125 CC(O)COc1cccoc1=O 7a_100000077404_100011218427 [0,1,0,0,0,0|2,0,1]=4 1368 B12R1.125 CC(O)COc1ccncc1Br 34a_100011996408_100011218427 [0,1,0,0,0,0|2,0,1]=4 1369 B12R1.125 CC(O)COc1ccncc1Cl 34a_100011997054_100011218427 [0,1,0,0,0,0|2,0,1]=4 1370 B12R1.125 CC(O)COc1ccncc1F 34a_200000081243_100011218427 [0,1,0,0,0,0|2,0,1]=4 1371 B12R1.125 CC(O)COc1cnccc1Cl 34a_100011996695_100011218427 [0,1,0,0,0,0|2,0,1]=4 1372 B12R1.125 CC(O)COc1cnccc1I 34a_100000050107_100011218427 [0,1,0,0,0,0|2,0,1]=4 1373 B12R1.125 CC(O)COc1cnccc1N 34a_100000753702_100011218427 [0,1,0,0,0,0|2,0,1]=4 1374 B12R1.125 CC(O)COc1coccc1=O 34a_100000060831_100011218427 [0,1,0,0,0,0|2,0,1]=4 1375 B12R1.125 CC(O)COc1ncccc1Cl 34a_100011290957_100011218427 [0,1,0,0,0,0|2,0,1]=4 1376 B12R1.125 CC(O)COc1ncccc1F 34a_100011219419_100011218427 [0,1,0,0,0,0|2,0,1]=4 1377 B12R1.125 CC(O)COc1ncccc1N 34a_100000746358_100011218427 [0,1,0,0,0,0|2,0,1]=4 1378 B12R1.125 CC(O)CSc1ccccc1Br 62a_100000695589_100011218427 [0,1,0,0,0,0|1,1,1]=4 1379 B12R1.125 CC(O)CSc1ccccc1Br 62a_100011218427_100000695589 [0,1,0,0,0,0|1,1,1]=4 1380 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100000764095_100011218427 [0,1,0,0,0,0|1,1,1]=4 1381 B12R1.125 CC(O)CSc1ccccc1Cl 62a_100011218427_100000764095 [0,1,0,0,0,0|1,1,1]=4 1382 B12R1.125 CC(O)CSc1ccccc1F 62a_100011215700_100011218427 [0,1,0,0,0,0|1,1,1]=4 1383 B12R1.125 CC(O)CSc1ccccc1F 62a_100011218427_100011215700 [0,1,0,0,0,0|1,1,1]=4 1384 B12R1.125 CC(O)CSc1ccccc1N 62a_100000210017_100011218427 [0,1,0,0,0,0|1,1,1]=4 1385 B12R1.125 CC(O)CSc1ccccc1N 62a_100011218427_100000210017 [0,1,0,0,0,0|1,1,1]=4 1386 B12R1.125 CC(O)CSc1ccccc1O 62a_100000739446_100011218427 [0,1,0,0,0,0|1,1,1]=4 1387 B12R1.125 CC(O)CSc1ccccc1O 62a_100011218427_100000739446 [0,1,0,0,0,0|1,1,1]=4 1388 B12R1.125 C[C@@H](O)CNc1ccccc1Br 34a_100000210017_100009817552 [0,1,0,0,0,0|2,0,1]=4 1389 B12R1.125 C[C@@H](O)CNc1ccccc1Cl 34a_100000185783_100009817552 [0,1,0,0,0,0|2,0,1]=4 1390 B12R1.125 C[C@@H](O)CNc1ccccc1F 34a_100000210422_100009817552 [0,1,0,0,0,0|2,0,1]=4 1391 B12R1.125 C[C@@H](O)CNc1ccccc1I 34a_100000210053_100009817552 [0,1,0,0,0,0|2,0,1]=4 1392 B12R1.125 C[C@@H](O)CNc1ccccc1O 34a_100000185747_100009817552 [0,1,0,0,0,0|2,0,1]=4 1393 B12R1.125 C[C@@H](O)COc1cccc[n+]1[O-] 7a_100000211761_100009817552 [0,1,0,0,0,0|2,0,1]=4 1394 B12R1.125 C[C@@H](O)COc1ccccc1Br 34a_100000181306_100009817552 [0,1,0,0,0,0|1,0,1]=3 1395 B12R1.125 C[C@@H](O)COc1ccccc1Br 7a_100000181306_100009817552 [0,1,0,0,0,0|1,0,1]=3 1396 B12R1.125 C[C@@H](O)COc1ccccc1Cl 34a_100000210172_100009817552 [0,1,0,0,0,0|1,0,1]=3 1397 B12R1.125 C[C@@H](O)COc1ccccc1Cl 7a_100000210172_100009817552 [0,1,0,0,0,0|1,0,1]=3 1398 B12R1.125 C[C@@H](O)COc1ccccc1F 34a_100000210171_100009817552 [0,1,0,0,0,0|1,0,1]=3 1399 B12R1.125 C[C@@H](O)COc1ccccc1F 7a_100000210171_100009817552 [0,1,0,0,0,0|1,0,1]=3 1400 B12R1.125 C[C@@H](O)COc1ccccc1I 34a_100000739446_100009817552 [0,1,0,0,0,0|1,0,1]=3 1401 B12R1.125 C[C@@H](O)COc1ccccc1I 7a_100000739446_100009817552 [0,1,0,0,0,0|1,0,1]=3 1402 B12R1.125 C[C@@H](O)COc1ccccc1N 34a_100000185747_100009817552 [0,1,0,0,0,0|1,0,1]=3 1403 B12R1.125 C[C@@H](O)COc1ccccc1N 7a_100000185747_100009817552 [0,1,0,0,0,0|1,0,1]=3 1404 B12R1.125 C[C@@H](O)COc1cccnc1Br 34a_100000744436_100009817552 [0,1,0,0,0,0|2,0,1]=4 1405 B12R1.125 C[C@@H](O)COc1cccnc1Br 7a_100000744436_100009817552 [0,1,0,0,0,0|2,0,1]=4 1406 B12R1.125 C[C@@H](O)COc1cccnc1Cl 34a_100000757616_100009817552 [0,1,0,0,0,0|2,0,1]=4 1407 B12R1.125 C[C@@H](O)COc1cccnc1Cl 7a_100000757616_100009817552 [0,1,0,0,0,0|2,0,1]=4 1408 B12R1.125 C[C@@H](O)COc1cccnc1F 34a_100000061740_100009817552 [0,1,0,0,0,0|2,0,1]=4 1409 B12R1.125 C[C@@H](O)COc1cccnc1F 7a_100000061740_100009817552 [0,1,0,0,0,0|2,0,1]=4 1410 B12R1.125 C[C@@H](O)COc1cccnc1I 34a_100000034122_100009817552 [0,1,0,0,0,0|2,0,1]=4 1411 B12R1.125 C[C@@H](O)COc1cccnc1I 7a_100000034122_100009817552 [0,1,0,0,0,0|2,0,1]=4 1412 B12R1.125 C[C@@H](O)COc1cccnc1N 34a_100000211975_100009817552 [0,1,0,0,0,0|2,0,1]=4 1413 B12R1.125 C[C@@H](O)COc1cccnc1N 7a_100000211975_100009817552 [0,1,0,0,0,0|2,0,1]=4 1414 B12R1.125 C[C@@H](O)COc1cccoc1=O 34a_100000077404_100009817552 [0,1,0,0,0,0|2,0,1]=4 1415 B12R1.125 C[C@@H](O)COc1cccoc1=O 7a_100000077404_100009817552 [0,1,0,0,0,0|2,0,1]=4 1416 B12R1.125 C[C@@H](O)COc1ccncc1Br 34a_100011996408_100009817552 [0,1,0,0,0,0|2,0,1]=4 1417 B12R1.125 C[C@@H](O)COc1ccncc1Cl 34a_100011997054_100009817552 [0,1,0,0,0,0|2,0,1]=4 1418 B12R1.125 C[C@@H](O)COc1ccncc1F 34a_200000081243_100009817552 [0,1,0,0,0,0|2,0,1]=4 1419 B12R1.125 C[C@@H](O)COc1cnccc1Cl 34a_100011996695_100009817552 [0,1,0,0,0,0|2,0,1]=4 1420 B12R1.125 C[C@@H](O)COc1cnccc1I 34a_100000050107_100009817552 [0,1,0,0,0,0|2,0,1]=4 1421 B12R1.125 C[C@@H](O)COc1cnccc1N 34a_100000753702_100009817552 [0,1,0,0,0,0|2,0,1]=4 1422 B12R1.125 C[C@@H](O)COc1coccc1=O 34a_100000060831_100009817552 [0,1,0,0,0,0|2,0,1]=4 1423 B12R1.125 C[C@@H](O)COc1ncccc1Cl 34a_100011290957_100009817552 [0,1,0,0,0,0|2,0,1]=4 1424 B12R1.125 C[C@@H](O)COc1ncccc1F 34a_100011219419_100009817552 [0,1,0,0,0,0|2,0,1]=4 1425 B12R1.125 C[C@@H](O)COc1ncccc1N 34a_100000746358_100009817552 [0,1,0,0,0,0|2,0,1]=4 1426 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100000695589_100009817552 [0,1,0,0,0,0|1,1,1]=4 1427 B12R1.125 C[C@@H](O)CSc1ccccc1Br 62a_100009817552_100000695589 [0,1,0,0,0,0|1,1,1]=4 1428 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100000764095_100009817552 [0,1,0,0,0,0|1,1,1]=4 1429 B12R1.125 C[C@@H](O)CSc1ccccc1Cl 62a_100009817552_100000764095 [0,1,0,0,0,0|1,1,1]=4 1430 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100009817552_100011215700 [0,1,0,0,0,0|1,1,1]=4 1431 B12R1.125 C[C@@H](O)CSc1ccccc1F 62a_100011215700_100009817552 [0,1,0,0,0,0|1,1,1]=4 1432 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100000210017_100009817552 [0,1,0,0,0,0|1,1,1]=4 1433 B12R1.125 C[C@@H](O)CSc1ccccc1N 62a_100009817552_100000210017 [0,1,0,0,0,0|1,1,1]=4 1434 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100000739446_100009817552 [0,1,0,0,0,0|1,1,1]=4 1435 B12R1.125 C[C@@H](O)CSc1ccccc1O 62a_100009817552_100000739446 [0,1,0,0,0,0|1,1,1]=4 1436 B12R1.125 C[n+]1ccccc1SCC(=O)N 62a_100000747473_100000212160 [0,1,0,0,0,0|2,1,0]=4 1437 B12R1.125 C[n+]1ccccc1SCC(=O)[O-] 62a_100020667443_100000212160 [0,1,0,0,0,0|1,1,1]=4 1438 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,1,0,0,0,0|2,0,0]=3 1439 B12R1.125 Cc1ccccc1NCC(=O)N 34a_100015192222_100000187820 [0,1,0,0,0,0|2,0,0]=3 1440 B12R1.125 Cc1ccccc1NCC(=O)[O-] 34a_100015192222_100020667443 [0,1,0,0,0,0|1,0,1]=3 1441 B12R1.125 Cc1ccccc1NCC(C)O 34a_100015192222_100011218427 [0,1,0,0,0,0|2,0,1]=4 1442 B12R1.125 Cc1ccccc1NC[C@@H](C)O 34a_100015192222_100009817552 [0,1,0,0,0,0|2,0,1]=4 1443 B12R1.125 Cc1ccccc1NC[N+](=O)[O-] 34a_100015192222_100000761209 [0,1,0,0,0,0|2,0,1]=4 1444 B12R1.125 Cc1ccccc1OCC(=O)N 34a_100000210338_100000187820 [0,1,0,0,0,0|1,0,0]=2 1445 B12R1.125 Cc1ccccc1OCC(=O)N 7a_100000210338_100000187820 [0,1,0,0,0,0|1,0,0]=2 1446 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,1,0,0,0,0|1,0,0]=2 1447 B12R1.125 Cc1ccccc1OCC(=O)[O-] 34a_100000210338_100020667443 [0,1,0,0,0,0|0,0,1]=2 1448 B12R1.125 Cc1ccccc1OCC(C)C 34a_100000210338_100000210624 [0,1,0,0,0,0|2,0,1]=4 1449 B12R1.125 Cc1ccccc1OCC(C)C 7a_100000210338_100000210760 [0,1,0,0,0,0|2,0,1]=4 1450 B12R1.125 Cc1ccccc1OCC(C)O 34a_100000210338_100011218427 [0,1,0,0,0,0|1,0,1]=3 1451 B12R1.125 Cc1ccccc1OCC(C)O 7a_100000210338_100011218427 [0,1,0,0,0,0|1,0,1]=3 1452 B12R1.125 Cc1ccccc1OCC(F)F 34a_100000210338_100011934356 [0,1,0,0,0,0|2,0,1]=4 1453 B12R1.125 Cc1ccccc1OCC(F)F 7a_100000210338_100011934356 [0,1,0,0,0,0|2,0,1]=4 1454 B12R1.125 Cc1ccccc1OC[C@@H](C)O 34a_100000210338_100009817552 [0,1,0,0,0,0|1,0,1]=3 1455 B12R1.125 Cc1ccccc1OC[C@@H](C)O 7a_100000210338_100009817552 [0,1,0,0,0,0|1,0,1]=3 1456 B12R1.125 Cc1ccccc1OC[N+](=O)[O-] 34a_100000210338_100000761209 [0,1,0,0,0,0|1,0,1]=3 1457 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,1,0,0,0,0|1,1,0]=3 1458 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,1,0,0,0,0|1,1,0]=3 1459 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,1,0,0,0,0|1,1,0]=3 1460 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,1,0,0,0,0|0,1,1]=3 1461 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,1,0,0,0,0|0,1,1]=3 1462 B12R1.125 Cc1ccccc1SCC(C)O 62a_100000210755_100011218427 [0,1,0,0,0,0|1,1,1]=4 1463 B12R1.125 Cc1ccccc1SCC(C)O 62a_100011218427_100000210755 [0,1,0,0,0,0|1,1,1]=4 1464 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100000210755_100009817552 [0,1,0,0,0,0|1,1,1]=4 1465 B12R1.125 Cc1ccccc1SC[C@@H](C)O 62a_100009817552_100000210755 [0,1,0,0,0,0|1,1,1]=4 1466 B12R1.125 Cc1ccccc1SC[N+](=O)[O-] 62a_100000210755_100000761209 [0,1,0,0,0,0|1,1,1]=4 1467 B12R1.125 Cc1cccnc1SCC(=O)N 62a_100000747473_100000751373 [0,1,0,0,0,0|2,1,0]=4 1468 B12R1.125 Cc1cccnc1SCC(=O)N 62a_100000751373_100000747473 [0,1,0,0,0,0|2,1,0]=4 1469 B12R1.125 Cc1cccnc1SCC(=O)[O-] 62a_100000751373_100020667443 [0,1,0,0,0,0|1,1,1]=4 1470 B12R1.125 Cc1cccnc1SCC(=O)[O-] 62a_100020667443_100000751373 [0,1,0,0,0,0|1,1,1]=4 1471 B12R1.125 Cc1ccncc1OCC(=O)N 34a_100011997053_100000187820 [0,1,0,0,0,0|2,0,0]=3 1472 B12R1.125 Cc1ccncc1OCC(=O)N 7a_100011997053_100000187820 [0,1,0,0,0,0|2,0,0]=3 1473 B12R1.125 Cc1ccncc1OCC(=O)[O-] 34a_100011997053_100020667443 [0,1,0,0,0,0|1,0,1]=3 1474 B12R1.125 Cc1ccncc1OCC(C)O 34a_100011997053_100011218427 [0,1,0,0,0,0|2,0,1]=4 1475 B12R1.125 Cc1ccncc1OCC(C)O 7a_100011997053_100011218427 [0,1,0,0,0,0|2,0,1]=4 1476 B12R1.125 Cc1ccncc1OC[C@@H](C)O 34a_100011997053_100009817552 [0,1,0,0,0,0|2,0,1]=4 1477 B12R1.125 Cc1ccncc1OC[C@@H](C)O 7a_100011997053_100009817552 [0,1,0,0,0,0|2,0,1]=4 1478 B12R1.125 Cc1ccncc1OC[N+](=O)[O-] 34a_100011997053_100000761209 [0,1,0,0,0,0|2,0,1]=4 1479 B12R1.125 Cc1ccncc1SCC(=O)N 62a_100000747473_100000761580 [0,1,0,0,0,0|2,1,0]=4 1480 B12R1.125 Cc1ccncc1SCC(=O)N 62a_100000761580_100000747473 [0,1,0,0,0,0|2,1,0]=4 1481 B12R1.125 Cc1ccncc1SCC(=O)[O-] 62a_100000761580_100020667443 [0,1,0,0,0,0|1,1,1]=4 1482 B12R1.125 Cc1ccncc1SCC(=O)[O-] 62a_100020667443_100000761580 [0,1,0,0,0,0|1,1,1]=4 1483 B12R1.125 Cc1cnccc1OCC(=O)N 34a_100000694293_100000187820 [0,1,0,0,0,0|2,0,0]=3 1484 B12R1.125 Cc1cnccc1OCC(=O)[O-] 34a_100000694293_100020667443 [0,1,0,0,0,0|1,0,1]=3 1485 B12R1.125 Cc1cnccc1OCC(C)O 34a_100000694293_100011218427 [0,1,0,0,0,0|2,0,1]=4 1486 B12R1.125 Cc1cnccc1OC[C@@H](C)O 34a_100000694293_100009817552 [0,1,0,0,0,0|2,0,1]=4 1487 B12R1.125 Cc1cnccc1OC[N+](=O)[O-] 34a_100000694293_100000761209 [0,1,0,0,0,0|2,0,1]=4 1488 B12R1.125 Cc1cnccc1SCC(=O)N 62a_100000747473_100000765111 [0,1,0,0,0,0|2,1,0]=4 1489 B12R1.125 Cc1cnccc1SCC(=O)N 62a_100000765111_100000747473 [0,1,0,0,0,0|2,1,0]=4 1490 B12R1.125 Cc1cnccc1SCC(=O)[O-] 62a_100000765111_100020667443 [0,1,0,0,0,0|1,1,1]=4 1491 B12R1.125 Cc1cnccc1SCC(=O)[O-] 62a_100020667443_100000765111 [0,1,0,0,0,0|1,1,1]=4 1492 B12R1.125 Cc1ncccc1OCC(=O)N 34a_100000745507_100000187820 [0,1,0,0,0,0|2,0,0]=3 1493 B12R1.125 Cc1ncccc1OCC(=O)N 7a_100000745507_100000187820 [0,1,0,0,0,0|2,0,0]=3 1494 B12R1.125 Cc1ncccc1OCC(=O)[O-] 34a_100000745507_100020667443 [0,1,0,0,0,0|1,0,1]=3 1495 B12R1.125 Cc1ncccc1OCC(C)O 34a_100000745507_100011218427 [0,1,0,0,0,0|2,0,1]=4 1496 B12R1.125 Cc1ncccc1OCC(C)O 7a_100000745507_100011218427 [0,1,0,0,0,0|2,0,1]=4 1497 B12R1.125 Cc1ncccc1OC[C@@H](C)O 34a_100000745507_100009817552 [0,1,0,0,0,0|2,0,1]=4 1498 B12R1.125 Cc1ncccc1OC[C@@H](C)O 7a_100000745507_100009817552 [0,1,0,0,0,0|2,0,1]=4 1499 B12R1.125 Cc1ncccc1OC[N+](=O)[O-] 34a_100000745507_100000761209 [0,1,0,0,0,0|2,0,1]=4 1500 B12R1.125 Cc1ncccc1SCC(=O)N 62a_100000747473_100000751574 [0,1,0,0,0,0|2,1,0]=4 1501 B12R1.125 Cc1ncccc1SCC(=O)N 62a_100000751574_100000747473 [0,1,0,0,0,0|2,1,0]=4 1502 B12R1.125 Cc1ncccc1SCC(=O)[O-] 62a_100000751574_100020667443 [0,1,0,0,0,0|1,1,1]=4 1503 B12R1.125 Cc1ncccc1SCC(=O)[O-] 62a_100020667443_100000751574 [0,1,0,0,0,0|1,1,1]=4 1504 B12R1.125 Cc1nccnc1OCC(=O)N 34a_100000766352_100000187820 [0,1,0,0,0,0|3,0,0]=4 1505 B12R1.125 Cc1nccnc1OCC(=O)[O-] 34a_100000766352_100020667443 [0,1,0,0,0,0|2,0,1]=4 1506 B12R1.125 FC(F)COc1ccccc1Br 34a_100000181306_100011934356 [0,1,0,0,0,0|2,0,1]=4 1507 B12R1.125 FC(F)COc1ccccc1Br 7a_100000181306_100011934356 [0,1,0,0,0,0|2,0,1]=4 1508 B12R1.125 FC(F)COc1ccccc1Cl 34a_100000210172_100011934356 [0,1,0,0,0,0|2,0,1]=4 1509 B12R1.125 FC(F)COc1ccccc1Cl 7a_100000210172_100011934356 [0,1,0,0,0,0|2,0,1]=4 1510 B12R1.125 FC(F)COc1ccccc1I 34a_100000739446_100011934356 [0,1,0,0,0,0|2,0,1]=4 1511 B12R1.125 FC(F)COc1ccccc1I 7a_100000739446_100011934356 [0,1,0,0,0,0|2,0,1]=4 1512 B12R1.125 Fc1ccccc1OCC(F)F 34a_100000210171_100011934356 [0,1,0,0,0,0|2,0,1]=4 1513 B12R1.125 Fc1ccccc1OCC(F)F 7a_100000210171_100011934356 [0,1,0,0,0,0|2,0,1]=4 1514 B12R1.125 NC(=O)CCc1ccccc1O 271570a_203496583355_100009814947 [0,1,0,0,0,0|2,0,0]=3 1515 B12R1.125 NC(=O)CNc1ccccc1Br 34a_100000210017_100000187820 [0,1,0,0,0,0|2,0,0]=3 1516 B12R1.125 NC(=O)CNc1ccccc1Cl 34a_100000185783_100000187820 [0,1,0,0,0,0|2,0,0]=3 1517 B12R1.125 NC(=O)CNc1ccccc1F 34a_100000210422_100000187820 [0,1,0,0,0,0|2,0,0]=3 1518 B12R1.125 NC(=O)CNc1ccccc1I 34a_100000210053_100000187820 [0,1,0,0,0,0|2,0,0]=3 1519 B12R1.125 NC(=O)CNc1ccccc1O 34a_100000185747_100000187820 [0,1,0,0,0,0|2,0,0]=3 1520 B12R1.125 NC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000187820 [0,1,0,0,0,0|2,0,0]=3 1521 B12R1.125 NC(=O)COc1ccccc1Br 34a_100000181306_100000187820 [0,1,0,0,0,0|1,0,0]=2 1522 B12R1.125 NC(=O)COc1ccccc1Br 7a_100000181306_100000187820 [0,1,0,0,0,0|1,0,0]=2 1523 B12R1.125 NC(=O)COc1ccccc1Cl 34a_100000210172_100000187820 [0,1,0,0,0,0|1,0,0]=2 1524 B12R1.125 NC(=O)COc1ccccc1Cl 7a_100000210172_100000187820 [0,1,0,0,0,0|1,0,0]=2 1525 B12R1.125 NC(=O)COc1ccccc1F 34a_100000210171_100000187820 [0,1,0,0,0,0|1,0,0]=2 1526 B12R1.125 NC(=O)COc1ccccc1F 7a_100000210171_100000187820 [0,1,0,0,0,0|1,0,0]=2 1527 B12R1.125 NC(=O)COc1ccccc1I 34a_100000739446_100000187820 [0,1,0,0,0,0|1,0,0]=2 1528 B12R1.125 NC(=O)COc1ccccc1I 7a_100000739446_100000187820 [0,1,0,0,0,0|1,0,0]=2 1529 B12R1.125 NC(=O)COc1ccccc1N 34a_100000185747_100000187820 [0,1,0,0,0,0|1,0,0]=2 1530 B12R1.125 NC(=O)COc1ccccc1N 7a_100000185747_100000187820 [0,1,0,0,0,0|1,0,0]=2 1531 B12R1.125 NC(=O)COc1ccccc1O 271570a_203496583355_200000148491 [0,1,0,0,0,0|1,0,0]=2 1532 B12R1.125 NC(=O)COc1cccnc1Br 34a_100000744436_100000187820 [0,1,0,0,0,0|2,0,0]=3 1533 B12R1.125 NC(=O)COc1cccnc1Br 7a_100000744436_100000187820 [0,1,0,0,0,0|2,0,0]=3 1534 B12R1.125 NC(=O)COc1cccnc1Cl 34a_100000757616_100000187820 [0,1,0,0,0,0|2,0,0]=3 1535 B12R1.125 NC(=O)COc1cccnc1Cl 7a_100000757616_100000187820 [0,1,0,0,0,0|2,0,0]=3 1536 B12R1.125 NC(=O)COc1cccnc1F 34a_100000061740_100000187820 [0,1,0,0,0,0|2,0,0]=3 1537 B12R1.125 NC(=O)COc1cccnc1F 7a_100000061740_100000187820 [0,1,0,0,0,0|2,0,0]=3 1538 B12R1.125 NC(=O)COc1cccnc1I 34a_100000034122_100000187820 [0,1,0,0,0,0|2,0,0]=3 1539 B12R1.125 NC(=O)COc1cccnc1I 7a_100000034122_100000187820 [0,1,0,0,0,0|2,0,0]=3 1540 B12R1.125 NC(=O)COc1cccnc1N 34a_100000211975_100000187820 [0,1,0,0,0,0|2,0,0]=3 1541 B12R1.125 NC(=O)COc1cccnc1N 7a_100000211975_100000187820 [0,1,0,0,0,0|2,0,0]=3 1542 B12R1.125 NC(=O)COc1cccoc1=O 34a_100000077404_100000187820 [0,1,0,0,0,0|2,0,0]=3 1543 B12R1.125 NC(=O)COc1cccoc1=O 7a_100000077404_100000187820 [0,1,0,0,0,0|2,0,0]=3 1544 B12R1.125 NC(=O)COc1ccncc1Br 34a_100011996408_100000187820 [0,1,0,0,0,0|2,0,0]=3 1545 B12R1.125 NC(=O)COc1ccncc1Cl 34a_100011997054_100000187820 [0,1,0,0,0,0|2,0,0]=3 1546 B12R1.125 NC(=O)COc1ccncc1F 34a_200000081243_100000187820 [0,1,0,0,0,0|2,0,0]=3 1547 B12R1.125 NC(=O)COc1cnccc1Cl 34a_100011996695_100000187820 [0,1,0,0,0,0|2,0,0]=3 1548 B12R1.125 NC(=O)COc1cnccc1I 34a_100000050107_100000187820 [0,1,0,0,0,0|2,0,0]=3 1549 B12R1.125 NC(=O)COc1cnccc1N 34a_100000753702_100000187820 [0,1,0,0,0,0|2,0,0]=3 1550 B12R1.125 NC(=O)COc1cncnc1N 7a_100000112926_100000187820 [0,1,0,0,0,0|3,0,0]=4 1551 B12R1.125 NC(=O)COc1coccc1=O 34a_100000060831_100000187820 [0,1,0,0,0,0|2,0,0]=3 1552 B12R1.125 NC(=O)COc1ncccc1Cl 34a_100011290957_100000187820 [0,1,0,0,0,0|2,0,0]=3 1553 B12R1.125 NC(=O)COc1ncccc1F 34a_100011219419_100000187820 [0,1,0,0,0,0|2,0,0]=3 1554 B12R1.125 NC(=O)COc1ncccc1N 34a_100000746358_100000187820 [0,1,0,0,0,0|2,0,0]=3 1555 B12R1.125 NC(=O)CSc1c[nH]ccc1=O 62a_100000747473_100009998708 [0,1,0,0,0,0|2,1,0]=4 1556 B12R1.125 NC(=O)CSc1c[nH]ccc1=O 62a_100009998708_100000747473 [0,1,0,0,0,0|2,1,0]=4 1557 B12R1.125 NC(=O)CSc1c[nH]ccc1=S 62a_100000747473_200012280681 [0,1,0,0,0,0|2,1,0]=4 1558 B12R1.125 NC(=O)CSc1c[nH]ccc1=S 62a_200012280681_100000747473 [0,1,0,0,0,0|2,1,0]=4 1559 B12R1.125 NC(=O)CSc1cccc[n+]1[O-] 62a_100000747473_200000042595 [0,1,0,0,0,0|2,1,0]=4 1560 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000695589_100000747473 [0,1,0,0,0,0|1,1,0]=3 1561 B12R1.125 NC(=O)CSc1ccccc1Br 62a_100000747473_100000695589 [0,1,0,0,0,0|1,1,0]=3 1562 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000747473_100000764095 [0,1,0,0,0,0|1,1,0]=3 1563 B12R1.125 NC(=O)CSc1ccccc1Cl 62a_100000764095_100000747473 [0,1,0,0,0,0|1,1,0]=3 1564 B12R1.125 NC(=O)CSc1ccccc1F 62a_100000747473_100011215700 [0,1,0,0,0,0|1,1,0]=3 1565 B12R1.125 NC(=O)CSc1ccccc1F 62a_100011215700_100000747473 [0,1,0,0,0,0|1,1,0]=3 1566 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000210017_100000747473 [0,1,0,0,0,0|1,1,0]=3 1567 B12R1.125 NC(=O)CSc1ccccc1N 62a_100000747473_100000210017 [0,1,0,0,0,0|1,1,0]=3 1568 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000739446_100000747473 [0,1,0,0,0,0|1,1,0]=3 1569 B12R1.125 NC(=O)CSc1ccccc1O 62a_100000747473_100000739446 [0,1,0,0,0,0|1,1,0]=3 1570 B12R1.125 NC(=O)CSc1cccnc1Br 62a_100000747473_100010202626 [0,1,0,0,0,0|2,1,0]=4 1571 B12R1.125 NC(=O)CSc1cccnc1Br 62a_100010202626_100000747473 [0,1,0,0,0,0|2,1,0]=4 1572 B12R1.125 NC(=O)CSc1cccnc1Cl 62a_100000036424_100000747473 [0,1,0,0,0,0|2,1,0]=4 1573 B12R1.125 NC(=O)CSc1cccnc1Cl 62a_100000747473_100000036424 [0,1,0,0,0,0|2,1,0]=4 1574 B12R1.125 NC(=O)CSc1cccnc1F 62a_100000747473_100009816115 [0,1,0,0,0,0|2,1,0]=4 1575 B12R1.125 NC(=O)CSc1cccnc1F 62a_100009816115_100000747473 [0,1,0,0,0,0|2,1,0]=4 1576 B12R1.125 NC(=O)CSc1cccnc1N 62a_100000045569_100000747473 [0,1,0,0,0,0|2,1,0]=4 1577 B12R1.125 NC(=O)CSc1cccnc1N 62a_100000747473_100000045569 [0,1,0,0,0,0|2,1,0]=4 1578 B12R1.125 NC(=O)CSc1cccnc1O 62a_100000747473_100000760158 [0,1,0,0,0,0|2,1,0]=4 1579 B12R1.125 NC(=O)CSc1cccnc1O 62a_100000760158_100000747473 [0,1,0,0,0,0|2,1,0]=4 1580 B12R1.125 NC(=O)CSc1ccncc1Br 62a_100000726257_100000747473 [0,1,0,0,0,0|2,1,0]=4 1581 B12R1.125 NC(=O)CSc1ccncc1Br 62a_100000747473_100000726257 [0,1,0,0,0,0|2,1,0]=4 1582 B12R1.125 NC(=O)CSc1ccncc1Cl 62a_100000708259_100000747473 [0,1,0,0,0,0|2,1,0]=4 1583 B12R1.125 NC(=O)CSc1ccncc1Cl 62a_100000747473_100000708259 [0,1,0,0,0,0|2,1,0]=4 1584 B12R1.125 NC(=O)CSc1ccncc1F 62a_100000047030_100000747473 [0,1,0,0,0,0|2,1,0]=4 1585 B12R1.125 NC(=O)CSc1ccncc1F 62a_100000747473_100000047030 [0,1,0,0,0,0|2,1,0]=4 1586 B12R1.125 NC(=O)CSc1ccncc1N 62a_100000747473_100000756074 [0,1,0,0,0,0|2,1,0]=4 1587 B12R1.125 NC(=O)CSc1ccncc1N 62a_100000756074_100000747473 [0,1,0,0,0,0|2,1,0]=4 1588 B12R1.125 NC(=O)CSc1ccncc1O 62a_100000747473_100009817591 [0,1,0,0,0,0|2,1,0]=4 1589 B12R1.125 NC(=O)CSc1ccncc1O 62a_100009817591_100000747473 [0,1,0,0,0,0|2,1,0]=4 1590 B12R1.125 NC(=O)CSc1cnccc1Br 62a_100000747473_100010138639 [0,1,0,0,0,0|2,1,0]=4 1591 B12R1.125 NC(=O)CSc1cnccc1Br 62a_100010138639_100000747473 [0,1,0,0,0,0|2,1,0]=4 1592 B12R1.125 NC(=O)CSc1cnccc1Cl 62a_100000747473_100009995489 [0,1,0,0,0,0|2,1,0]=4 1593 B12R1.125 NC(=O)CSc1cnccc1Cl 62a_100009995489_100000747473 [0,1,0,0,0,0|2,1,0]=4 1594 B12R1.125 NC(=O)CSc1cnccc1F 62a_100000747473_100009820683 [0,1,0,0,0,0|2,1,0]=4 1595 B12R1.125 NC(=O)CSc1cnccc1F 62a_100009820683_100000747473 [0,1,0,0,0,0|2,1,0]=4 1596 B12R1.125 NC(=O)CSc1cnccc1N 62a_100000047001_100000747473 [0,1,0,0,0,0|2,1,0]=4 1597 B12R1.125 NC(=O)CSc1cnccc1N 62a_100000747473_100000047001 [0,1,0,0,0,0|2,1,0]=4 1598 B12R1.125 NC(=O)CSc1ncccc1Br 62a_100000696092_100000747473 [0,1,0,0,0,0|2,1,0]=4 1599 B12R1.125 NC(=O)CSc1ncccc1Br 62a_100000747473_100000696092 [0,1,0,0,0,0|2,1,0]=4 1600 B12R1.125 NC(=O)CSc1ncccc1Cl 62a_100000747473_100011356963 [0,1,0,0,0,0|2,1,0]=4 1601 B12R1.125 NC(=O)CSc1ncccc1Cl 62a_100011356963_100000747473 [0,1,0,0,0,0|2,1,0]=4 1602 B12R1.125 NC(=O)CSc1ncccc1F 62a_100000685392_100000747473 [0,1,0,0,0,0|2,1,0]=4 1603 B12R1.125 NC(=O)CSc1ncccc1F 62a_100000747473_100000685392 [0,1,0,0,0,0|2,1,0]=4 1604 B12R1.125 NC(=O)CSc1ncccc1N 62a_100000688686_100000747473 [0,1,0,0,0,0|2,1,0]=4 1605 B12R1.125 NC(=O)CSc1ncccc1N 62a_100000747473_100000688686 [0,1,0,0,0,0|2,1,0]=4 1606 B12R1.125 NC(=O)CSc1ncccc1O 62a_100000034122_100000747473 [0,1,0,0,0,0|2,1,0]=4 1607 B12R1.125 NC(=O)CSc1ncccc1O 62a_100000747473_100000034122 [0,1,0,0,0,0|2,1,0]=4 1608 B12R1.125 Nc1ccccc1OCC(=O)[O-] 34a_100000185747_100020667443 [0,1,0,0,0,0|0,0,1]=2 1609 B12R1.125 Nc1ccccc1OCC(F)F 34a_100000185747_100011934356 [0,1,0,0,0,0|2,0,1]=4 1610 B12R1.125 Nc1ccccc1OCC(F)F 7a_100000185747_100011934356 [0,1,0,0,0,0|2,0,1]=4 1611 B12R1.125 Nc1ccccc1OC[N+](=O)[O-] 34a_100000185747_100000761209 [0,1,0,0,0,0|1,0,1]=3 1612 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100000210017_100020667443 [0,1,0,0,0,0|0,1,1]=3 1613 B12R1.125 Nc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210017 [0,1,0,0,0,0|0,1,1]=3 1614 B12R1.125 Nc1ccccc1SC[N+](=O)[O-] 62a_100000210017_100000761209 [0,1,0,0,0,0|1,1,1]=4 1615 B12R1.125 Nc1cccnc1OCC(=O)[O-] 34a_100000746358_100020667443 [0,1,0,0,0,0|1,0,1]=3 1616 B12R1.125 Nc1cccnc1OC[N+](=O)[O-] 34a_100000746358_100000761209 [0,1,0,0,0,0|2,0,1]=4 1617 B12R1.125 Nc1cccnc1SCC(=O)[O-] 62a_100000688686_100020667443 [0,1,0,0,0,0|1,1,1]=4 1618 B12R1.125 Nc1cccnc1SCC(=O)[O-] 62a_100020667443_100000688686 [0,1,0,0,0,0|1,1,1]=4 1619 B12R1.125 Nc1ccncc1OCC(=O)[O-] 34a_100000753702_100020667443 [0,1,0,0,0,0|1,0,1]=3 1620 B12R1.125 Nc1ccncc1OC[N+](=O)[O-] 34a_100000753702_100000761209 [0,1,0,0,0,0|2,0,1]=4 1621 B12R1.125 Nc1ccncc1SCC(=O)[O-] 62a_100000047001_100020667443 [0,1,0,0,0,0|1,1,1]=4 1622 B12R1.125 Nc1ccncc1SCC(=O)[O-] 62a_100020667443_100000047001 [0,1,0,0,0,0|1,1,1]=4 1623 B12R1.125 Nc1cnccc1SCC(=O)[O-] 62a_100000756074_100020667443 [0,1,0,0,0,0|1,1,1]=4 1624 B12R1.125 Nc1cnccc1SCC(=O)[O-] 62a_100020667443_100000756074 [0,1,0,0,0,0|1,1,1]=4 1625 B12R1.125 Nc1ncccc1OCC(=O)[O-] 34a_100000211975_100020667443 [0,1,0,0,0,0|1,0,1]=3 1626 B12R1.125 Nc1ncccc1OC[N+](=O)[O-] 34a_100000211975_100000761209 [0,1,0,0,0,0|2,0,1]=4 1627 B12R1.125 Nc1ncccc1SCC(=O)[O-] 62a_100000045569_100020667443 [0,1,0,0,0,0|1,1,1]=4 1628 B12R1.125 Nc1ncccc1SCC(=O)[O-] 62a_100020667443_100000045569 [0,1,0,0,0,0|1,1,1]=4 1629 B12R1.125 O=C([O-])CNc1ccccc1Br 34a_100000210017_100020667443 [0,1,0,0,0,0|1,0,1]=3 1630 B12R1.125 O=C([O-])CNc1ccccc1Cl 34a_100000185783_100020667443 [0,1,0,0,0,0|1,0,1]=3 1631 B12R1.125 O=C([O-])CNc1ccccc1F 34a_100000210422_100020667443 [0,1,0,0,0,0|1,0,1]=3 1632 B12R1.125 O=C([O-])CNc1ccccc1I 34a_100000210053_100020667443 [0,1,0,0,0,0|1,0,1]=3 1633 B12R1.125 O=C([O-])CNc1ccccc1O 34a_100000185747_100020667443 [0,1,0,0,0,0|1,0,1]=3 1634 B12R1.125 O=C([O-])COc1ccccc1Br 34a_100000181306_100020667443 [0,1,0,0,0,0|0,0,1]=2 1635 B12R1.125 O=C([O-])COc1ccccc1Cl 34a_100000210172_100020667443 [0,1,0,0,0,0|0,0,1]=2 1636 B12R1.125 O=C([O-])COc1ccccc1F 34a_100000210171_100020667443 [0,1,0,0,0,0|0,0,1]=2 1637 B12R1.125 O=C([O-])COc1ccccc1I 34a_100000739446_100020667443 [0,1,0,0,0,0|0,0,1]=2 1638 B12R1.125 O=C([O-])COc1cccnc1Br 34a_100000744436_100020667443 [0,1,0,0,0,0|1,0,1]=3 1639 B12R1.125 O=C([O-])COc1cccnc1Cl 34a_100000757616_100020667443 [0,1,0,0,0,0|1,0,1]=3 1640 B12R1.125 O=C([O-])COc1cccnc1F 34a_100000061740_100020667443 [0,1,0,0,0,0|1,0,1]=3 1641 B12R1.125 O=C([O-])COc1cccnc1I 34a_100000034122_100020667443 [0,1,0,0,0,0|1,0,1]=3 1642 B12R1.125 O=C([O-])COc1cccoc1=O 34a_100000077404_100020667443 [0,1,0,0,0,0|1,0,1]=3 1643 B12R1.125 O=C([O-])COc1ccncc1Br 34a_100011996408_100020667443 [0,1,0,0,0,0|1,0,1]=3 1644 B12R1.125 O=C([O-])COc1ccncc1Cl 34a_100011997054_100020667443 [0,1,0,0,0,0|1,0,1]=3 1645 B12R1.125 O=C([O-])COc1ccncc1F 34a_200000081243_100020667443 [0,1,0,0,0,0|1,0,1]=3 1646 B12R1.125 O=C([O-])COc1cnccc1Cl 34a_100011996695_100020667443 [0,1,0,0,0,0|1,0,1]=3 1647 B12R1.125 O=C([O-])COc1cnccc1I 34a_100000050107_100020667443 [0,1,0,0,0,0|1,0,1]=3 1648 B12R1.125 O=C([O-])COc1coccc1=O 34a_100000060831_100020667443 [0,1,0,0,0,0|1,0,1]=3 1649 B12R1.125 O=C([O-])COc1ncccc1Cl 34a_100011290957_100020667443 [0,1,0,0,0,0|1,0,1]=3 1650 B12R1.125 O=C([O-])COc1ncccc1F 34a_100011219419_100020667443 [0,1,0,0,0,0|1,0,1]=3 1651 B12R1.125 O=C([O-])CSc1c[nH]ccc1=O 62a_100009998708_100020667443 [0,1,0,0,0,0|1,1,1]=4 1652 B12R1.125 O=C([O-])CSc1c[nH]ccc1=O 62a_100020667443_100009998708 [0,1,0,0,0,0|1,1,1]=4 1653 B12R1.125 O=C([O-])CSc1c[nH]ccc1=S 62a_100020667443_200012280681 [0,1,0,0,0,0|1,1,1]=4 1654 B12R1.125 O=C([O-])CSc1c[nH]ccc1=S 62a_200012280681_100020667443 [0,1,0,0,0,0|1,1,1]=4 1655 B12R1.125 O=C([O-])CSc1cccc[n+]1[O-] 62a_100020667443_200000042595 [0,1,0,0,0,0|1,1,1]=4 1656 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100000695589_100020667443 [0,1,0,0,0,0|0,1,1]=3 1657 B12R1.125 O=C([O-])CSc1ccccc1Br 62a_100020667443_100000695589 [0,1,0,0,0,0|0,1,1]=3 1658 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100000764095_100020667443 [0,1,0,0,0,0|0,1,1]=3 1659 B12R1.125 O=C([O-])CSc1ccccc1Cl 62a_100020667443_100000764095 [0,1,0,0,0,0|0,1,1]=3 1660 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100011215700_100020667443 [0,1,0,0,0,0|0,1,1]=3 1661 B12R1.125 O=C([O-])CSc1ccccc1F 62a_100020667443_100011215700 [0,1,0,0,0,0|0,1,1]=3 1662 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100000739446_100020667443 [0,1,0,0,0,0|0,1,1]=3 1663 B12R1.125 O=C([O-])CSc1ccccc1O 62a_100020667443_100000739446 [0,1,0,0,0,0|0,1,1]=3 1664 B12R1.125 O=C([O-])CSc1cccnc1Br 62a_100010202626_100020667443 [0,1,0,0,0,0|1,1,1]=4 1665 B12R1.125 O=C([O-])CSc1cccnc1Br 62a_100020667443_100010202626 [0,1,0,0,0,0|1,1,1]=4 1666 B12R1.125 O=C([O-])CSc1cccnc1Cl 62a_100000036424_100020667443 [0,1,0,0,0,0|1,1,1]=4 1667 B12R1.125 O=C([O-])CSc1cccnc1Cl 62a_100020667443_100000036424 [0,1,0,0,0,0|1,1,1]=4 1668 B12R1.125 O=C([O-])CSc1cccnc1F 62a_100009816115_100020667443 [0,1,0,0,0,0|1,1,1]=4 1669 B12R1.125 O=C([O-])CSc1cccnc1F 62a_100020667443_100009816115 [0,1,0,0,0,0|1,1,1]=4 1670 B12R1.125 O=C([O-])CSc1cccnc1O 62a_100000760158_100020667443 [0,1,0,0,0,0|1,1,1]=4 1671 B12R1.125 O=C([O-])CSc1cccnc1O 62a_100020667443_100000760158 [0,1,0,0,0,0|1,1,1]=4 1672 B12R1.125 O=C([O-])CSc1ccncc1Br 62a_100000726257_100020667443 [0,1,0,0,0,0|1,1,1]=4 1673 B12R1.125 O=C([O-])CSc1ccncc1Br 62a_100020667443_100000726257 [0,1,0,0,0,0|1,1,1]=4 1674 B12R1.125 O=C([O-])CSc1ccncc1Cl 62a_100000708259_100020667443 [0,1,0,0,0,0|1,1,1]=4 1675 B12R1.125 O=C([O-])CSc1ccncc1Cl 62a_100020667443_100000708259 [0,1,0,0,0,0|1,1,1]=4 1676 B12R1.125 O=C([O-])CSc1ccncc1F 62a_100000047030_100020667443 [0,1,0,0,0,0|1,1,1]=4 1677 B12R1.125 O=C([O-])CSc1ccncc1F 62a_100020667443_100000047030 [0,1,0,0,0,0|1,1,1]=4 1678 B12R1.125 O=C([O-])CSc1ccncc1O 62a_100009817591_100020667443 [0,1,0,0,0,0|1,1,1]=4 1679 B12R1.125 O=C([O-])CSc1ccncc1O 62a_100020667443_100009817591 [0,1,0,0,0,0|1,1,1]=4 1680 B12R1.125 O=C([O-])CSc1cnccc1Br 62a_100010138639_100020667443 [0,1,0,0,0,0|1,1,1]=4 1681 B12R1.125 O=C([O-])CSc1cnccc1Br 62a_100020667443_100010138639 [0,1,0,0,0,0|1,1,1]=4 1682 B12R1.125 O=C([O-])CSc1cnccc1Cl 62a_100009995489_100020667443 [0,1,0,0,0,0|1,1,1]=4 1683 B12R1.125 O=C([O-])CSc1cnccc1Cl 62a_100020667443_100009995489 [0,1,0,0,0,0|1,1,1]=4 1684 B12R1.125 O=C([O-])CSc1cnccc1F 62a_100009820683_100020667443 [0,1,0,0,0,0|1,1,1]=4 1685 B12R1.125 O=C([O-])CSc1cnccc1F 62a_100020667443_100009820683 [0,1,0,0,0,0|1,1,1]=4 1686 B12R1.125 O=C([O-])CSc1ncccc1Br 62a_100000696092_100020667443 [0,1,0,0,0,0|1,1,1]=4 1687 B12R1.125 O=C([O-])CSc1ncccc1Br 62a_100020667443_100000696092 [0,1,0,0,0,0|1,1,1]=4 1688 B12R1.125 O=C([O-])CSc1ncccc1Cl 62a_100011356963_100020667443 [0,1,0,0,0,0|1,1,1]=4 1689 B12R1.125 O=C([O-])CSc1ncccc1Cl 62a_100020667443_100011356963 [0,1,0,0,0,0|1,1,1]=4 1690 B12R1.125 O=C([O-])CSc1ncccc1F 62a_100000685392_100020667443 [0,1,0,0,0,0|1,1,1]=4 1691 B12R1.125 O=C([O-])CSc1ncccc1F 62a_100020667443_100000685392 [0,1,0,0,0,0|1,1,1]=4 1692 B12R1.125 O=C([O-])CSc1ncccc1O 62a_100000034122_100020667443 [0,1,0,0,0,0|1,1,1]=4 1693 B12R1.125 O=C([O-])CSc1ncccc1O 62a_100020667443_100000034122 [0,1,0,0,0,0|1,1,1]=4 1694 B12R1.125 O=[N+]([O-])CNc1ccccc1Br 34a_100000210017_100000761209 [0,1,0,0,0,0|2,0,1]=4 1695 B12R1.125 O=[N+]([O-])CNc1ccccc1Cl 34a_100000185783_100000761209 [0,1,0,0,0,0|2,0,1]=4 1696 B12R1.125 O=[N+]([O-])CNc1ccccc1F 34a_100000210422_100000761209 [0,1,0,0,0,0|2,0,1]=4 1697 B12R1.125 O=[N+]([O-])CNc1ccccc1I 34a_100000210053_100000761209 [0,1,0,0,0,0|2,0,1]=4 1698 B12R1.125 O=[N+]([O-])CNc1ccccc1O 34a_100000185747_100000761209 [0,1,0,0,0,0|2,0,1]=4 1699 B12R1.125 O=[N+]([O-])COc1ccccc1Br 34a_100000181306_100000761209 [0,1,0,0,0,0|1,0,1]=3 1700 B12R1.125 O=[N+]([O-])COc1ccccc1Cl 34a_100000210172_100000761209 [0,1,0,0,0,0|1,0,1]=3 1701 B12R1.125 O=[N+]([O-])COc1ccccc1F 34a_100000210171_100000761209 [0,1,0,0,0,0|1,0,1]=3 1702 B12R1.125 O=[N+]([O-])COc1ccccc1I 34a_100000739446_100000761209 [0,1,0,0,0,0|1,0,1]=3 1703 B12R1.125 O=[N+]([O-])COc1cccnc1Br 34a_100000744436_100000761209 [0,1,0,0,0,0|2,0,1]=4 1704 B12R1.125 O=[N+]([O-])COc1cccnc1Cl 34a_100000757616_100000761209 [0,1,0,0,0,0|2,0,1]=4 1705 B12R1.125 O=[N+]([O-])COc1cccnc1F 34a_100000061740_100000761209 [0,1,0,0,0,0|2,0,1]=4 1706 B12R1.125 O=[N+]([O-])COc1cccnc1I 34a_100000034122_100000761209 [0,1,0,0,0,0|2,0,1]=4 1707 B12R1.125 O=[N+]([O-])COc1ccncc1Br 34a_100011996408_100000761209 [0,1,0,0,0,0|2,0,1]=4 1708 B12R1.125 O=[N+]([O-])COc1ccncc1Cl 34a_100011997054_100000761209 [0,1,0,0,0,0|2,0,1]=4 1709 B12R1.125 O=[N+]([O-])COc1ccncc1F 34a_200000081243_100000761209 [0,1,0,0,0,0|2,0,1]=4 1710 B12R1.125 O=[N+]([O-])COc1cnccc1Cl 34a_100011996695_100000761209 [0,1,0,0,0,0|2,0,1]=4 1711 B12R1.125 O=[N+]([O-])COc1cnccc1I 34a_100000050107_100000761209 [0,1,0,0,0,0|2,0,1]=4 1712 B12R1.125 O=[N+]([O-])COc1ncccc1Cl 34a_100011290957_100000761209 [0,1,0,0,0,0|2,0,1]=4 1713 B12R1.125 O=[N+]([O-])COc1ncccc1F 34a_100011219419_100000761209 [0,1,0,0,0,0|2,0,1]=4 1714 B12R1.125 O=[N+]([O-])CSc1ccccc1Br 62a_100000695589_100000761209 [0,1,0,0,0,0|1,1,1]=4 1715 B12R1.125 O=[N+]([O-])CSc1ccccc1Cl 62a_100000764095_100000761209 [0,1,0,0,0,0|1,1,1]=4 1716 B12R1.125 O=[N+]([O-])CSc1ccccc1F 62a_100011215700_100000761209 [0,1,0,0,0,0|1,1,1]=4 1717 B12R1.125 O=[N+]([O-])CSc1ccccc1O 62a_100000739446_100000761209 [0,1,0,0,0,0|1,1,1]=4 1718 B12R1.125 O=c1ccocc1OC[N+](=O)[O-] 34a_100000060831_100000761209 [0,1,0,0,0,0|2,0,1]=4 1719 B12R1.125 O=c1occcc1OC[N+](=O)[O-] 34a_100000077404_100000761209 [0,1,0,0,0,0|2,0,1]=4 1720 B12R1.125 Oc1ccccc1OCC(F)F 271570a_203496583355_100000692002 [0,1,0,0,0,0|2,0,1]=4 1721 B12R1.125 [13CH3]C(=O)C#Cc1ccccc1F 1458a_100011892747_200025704644 [0,1,0,0,0,0|2,0,1]=4 1722 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Br 1458a_100000719032_200025704644 [0,1,0,0,0,0|2,0,1]=4 1723 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1Cl 1458a_100000720304_200025704644 [0,1,0,0,0,0|2,0,1]=4 1724 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1F 1458a_100016256065_200025704644 [0,1,0,0,0,0|2,0,1]=4 1725 B12R1.125 [13CH3]C(=O)C=Cc1ccccc1O 1458a_100016263591_200025704644 [0,1,0,0,0,0|2,0,1]=4 1726 B12R1.125 [13CH3]C(=O)CCc1ccccc1Br 1458a_100000740810_200025704644 [0,1,0,0,0,0|2,0,0]=3 1727 B12R1.125 [13CH3]C(=O)CCc1ccccc1Cl 1458a_100000184300_200025704644 [0,1,0,0,0,0|2,0,0]=3 1728 B12R1.125 [13CH3]C(=O)CCc1ccccc1F 1458a_100000189703_200025704644 [0,1,0,0,0,0|2,0,0]=3 1729 B12R1.125 [13CH3]C(=O)CCc1ccccc1I 1458a_100000037306_200025704644 [0,1,0,0,0,0|2,0,0]=3 1730 B12R1.125 [13CH3]C(=O)CCc1ccccc1O 1458a_100000181328_200025704644 [0,1,0,0,0,0|2,0,0]=3 1731 B12R1.125 [13CH3]C(=O)CCn1ccccc1=O 1458a_100000738505_200025704644 [0,1,0,0,0,0|3,0,0]=4 1732 B12R1.125 [13CH3]C(=O)COc1ccccc1Br 1458a_100000216496_200025704644 [0,1,0,0,0,0|1,0,0]=2 1733 B12R1.125 [13CH3]C(=O)COc1ccccc1Cl 1458a_100000185159_200025704644 [0,1,0,0,0,0|1,0,0]=2 1734 B12R1.125 [13CH3]C(=O)COc1ccccc1F 1458a_100000182486_200025704644 [0,1,0,0,0,0|1,0,0]=2 1735 B12R1.125 [13CH3]C(=O)COc1ccccc1O 1458a_100000183020_200025704644 [0,1,0,0,0,0|1,0,0]=2 1736 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,1,0,0,0,0|1,1,0]=3 1737 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,1,0,0,0,0|1,1,0]=3 1738 B12R1.226 C=C(C)CNc1cccc(c1)Br 34a_100000210019_100000748629 [0,1,0,0,0,0|3,0,0]=4 1739 B12R1.226 C=C(C)CNc1cccc(c1)C 2230a_100000188690_100000748629 [0,1,0,0,0,0|3,0,0]=4 1740 B12R1.226 C=C(C)CNc1cccc(c1)C 34a_100000188690_100000748629 [0,1,0,0,0,0|3,0,0]=4 1741 B12R1.226 C=C(C)CNc1cccc(c1)Cl 34a_100000185859_100000748629 [0,1,0,0,0,0|3,0,0]=4 1742 B12R1.226 C=C(C)CNc1cccc(c1)F 34a_100000210047_100000748629 [0,1,0,0,0,0|3,0,0]=4 1743 B12R1.226 C=C(C)CNc1cccc(c1)I 34a_100000211102_100000748629 [0,1,0,0,0,0|3,0,0]=4 1744 B12R1.226 C=C(C)CNc1cccc(c1)O 34a_100000210217_100000748629 [0,1,0,0,0,0|3,0,0]=4 1745 B12R1.226 C=C(C)COc1cc[nH]c(=O)c1 34a_100000032262_100000748629 [0,1,0,0,0,0|3,0,0]=4 1746 B12R1.226 C=C(C)COc1ccc[n+](c1)[O-] 34a_100000039713_100000748629 [0,1,0,0,0,0|3,0,0]=4 1747 B12R1.226 C=C(C)COc1ccc[n+](c1)[O-] 7a_100000039713_100000748629 [0,1,0,0,0,0|3,0,0]=4 1748 B12R1.226 C=C(C)COc1cccc(=O)[nH]1 34a_100000033347_100000748629 [0,1,0,0,0,0|3,0,0]=4 1749 B12R1.226 C=C(C)COc1cccc(c1)Br 34a_100000210342_100000748629 [0,1,0,0,0,0|2,0,0]=3 1750 B12R1.226 C=C(C)COc1cccc(c1)Br 7a_100000210342_100000748629 [0,1,0,0,0,0|2,0,0]=3 1751 B12R1.226 C=C(C)COc1cccc(c1)C 34a_100000210337_100000748629 [0,1,0,0,0,0|2,0,0]=3 1752 B12R1.226 C=C(C)COc1cccc(c1)C 7a_100000210337_100000748629 [0,1,0,0,0,0|2,0,0]=3 1753 B12R1.226 C=C(C)COc1cccc(c1)Cl 34a_100000210295_100000748629 [0,1,0,0,0,0|2,0,0]=3 1754 B12R1.226 C=C(C)COc1cccc(c1)Cl 7a_100000210295_100000748629 [0,1,0,0,0,0|2,0,0]=3 1755 B12R1.226 C=C(C)COc1cccc(c1)F 34a_100000210426_100000748629 [0,1,0,0,0,0|2,0,0]=3 1756 B12R1.226 C=C(C)COc1cccc(c1)F 7a_100000210426_100000748629 [0,1,0,0,0,0|2,0,0]=3 1757 B12R1.226 C=C(C)COc1cccc(c1)I 34a_100000211634_100000748629 [0,1,0,0,0,0|2,0,0]=3 1758 B12R1.226 C=C(C)COc1cccc(c1)I 7a_100000211634_100000748629 [0,1,0,0,0,0|2,0,0]=3 1759 B12R1.226 C=C(C)COc1cccc(c1)N 34a_100000210217_100000748629 [0,1,0,0,0,0|2,0,0]=3 1760 B12R1.226 C=C(C)COc1cccc(n1)F 34a_100011432558_100000748629 [0,1,0,0,0,0|3,0,0]=4 1761 B12R1.226 C=C(C)COc1ccnc(c1)C 34a_100000688365_100000748629 [0,1,0,0,0,0|3,0,0]=4 1762 B12R1.226 C=C(C)COc1ccnc(c1)Cl 34a_100000762945_100000748629 [0,1,0,0,0,0|3,0,0]=4 1763 B12R1.226 C=C(C)COc1ccnc(c1)F 34a_100000732698_100000748629 [0,1,0,0,0,0|3,0,0]=4 1764 B12R1.226 C=C(C)COc1ccnc(c1)N 34a_100011834064_100000748629 [0,1,0,0,0,0|3,0,0]=4 1765 B12R1.226 C=C(C)COc1cncc(c1)Br 34a_100000754920_100000748629 [0,1,0,0,0,0|3,0,0]=4 1766 B12R1.226 C=C(C)COc1cncc(c1)Br 7a_100000754920_100000748629 [0,1,0,0,0,0|3,0,0]=4 1767 B12R1.226 C=C(C)COc1cncc(c1)C 34a_100011830280_100000748629 [0,1,0,0,0,0|3,0,0]=4 1768 B12R1.226 C=C(C)COc1cncc(c1)C 7a_100011830280_100000748629 [0,1,0,0,0,0|3,0,0]=4 1769 B12R1.226 C=C(C)COc1cncc(c1)Cl 7a_100000032511_100000748629 [0,1,0,0,0,0|3,0,0]=4 1770 B12R1.226 C=C(C)COc1cncc(c1)F 34a_100011830296_100000748629 [0,1,0,0,0,0|3,0,0]=4 1771 B12R1.226 C=C(C)COc1cncc(c1)F 7a_100011830296_100000748629 [0,1,0,0,0,0|3,0,0]=4 1772 B12R1.226 C=C(C)COc1cncc(c1)N 34a_100011997051_100000748629 [0,1,0,0,0,0|3,0,0]=4 1773 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000691529_100000211660 [0,1,0,0,0,0|2,1,0]=4 1774 B12R1.226 C=C(C)CSc1cccc(c1)Br 62a_100000748629_100000691529 [0,1,0,0,0,0|2,1,0]=4 1775 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100000748629_100011215228 [0,1,0,0,0,0|2,1,0]=4 1776 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100011215228_100000211660 [0,1,0,0,0,0|2,1,0]=4 1777 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000699651_100000211660 [0,1,0,0,0,0|2,1,0]=4 1778 B12R1.226 C=C(C)CSc1cccc(c1)Cl 62a_100000748629_100000699651 [0,1,0,0,0,0|2,1,0]=4 1779 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000685547_100000211660 [0,1,0,0,0,0|2,1,0]=4 1780 B12R1.226 C=C(C)CSc1cccc(c1)F 62a_100000748629_100000685547 [0,1,0,0,0,0|2,1,0]=4 1781 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000210019_100000211660 [0,1,0,0,0,0|2,1,0]=4 1782 B12R1.226 C=C(C)CSc1cccc(c1)N 62a_100000748629_100000210019 [0,1,0,0,0,0|2,1,0]=4 1783 B12R1.226 C=C(C)CSc1cccc(c1)O 62a_100000748629_100000211634 [0,1,0,0,0,0|2,1,0]=4 1784 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_100000748629_114929384022 [0,1,0,0,0,0|2,1,0]=4 1785 B12R1.226 C=C(C)CSc1cccc(c1)[S] 62a_114929384022_100000211660 [0,1,0,0,0,0|2,1,0]=4 1786 B12R1.226 C=C(F)CNc1cccc(c1)Br 34a_100000210019_100009893438 [0,1,0,0,0,0|3,0,0]=4 1787 B12R1.226 C=C(F)CNc1cccc(c1)C 2230a_100000188690_100009893438 [0,1,0,0,0,0|3,0,0]=4 1788 B12R1.226 C=C(F)CNc1cccc(c1)C 34a_100000188690_100009893438 [0,1,0,0,0,0|3,0,0]=4 1789 B12R1.226 C=C(F)CNc1cccc(c1)Cl 34a_100000185859_100009893438 [0,1,0,0,0,0|3,0,0]=4 1790 B12R1.226 C=C(F)CNc1cccc(c1)F 34a_100000210047_100009893438 [0,1,0,0,0,0|3,0,0]=4 1791 B12R1.226 C=C(F)CNc1cccc(c1)I 34a_100000211102_100009893438 [0,1,0,0,0,0|3,0,0]=4 1792 B12R1.226 C=C(F)CNc1cccc(c1)O 34a_100000210217_100009893438 [0,1,0,0,0,0|3,0,0]=4 1793 B12R1.226 C=C(F)COc1cc[nH]c(=O)c1 34a_100000032262_100009893438 [0,1,0,0,0,0|3,0,0]=4 1794 B12R1.226 C=C(F)COc1ccc[n+](c1)[O-] 34a_100000039713_100009893438 [0,1,0,0,0,0|3,0,0]=4 1795 B12R1.226 C=C(F)COc1ccc[n+](c1)[O-] 7a_100000039713_100000042424 [0,1,0,0,0,0|3,0,0]=4 1796 B12R1.226 C=C(F)COc1cccc(=O)[nH]1 34a_100000033347_100009893438 [0,1,0,0,0,0|3,0,0]=4 1797 B12R1.226 C=C(F)COc1cccc(c1)Br 34a_100000210342_100009893438 [0,1,0,0,0,0|2,0,0]=3 1798 B12R1.226 C=C(F)COc1cccc(c1)Br 7a_100000210342_100000042424 [0,1,0,0,0,0|2,0,0]=3 1799 B12R1.226 C=C(F)COc1cccc(c1)C 34a_100000210337_100009893438 [0,1,0,0,0,0|2,0,0]=3 1800 B12R1.226 C=C(F)COc1cccc(c1)C 7a_100000210337_100000042424 [0,1,0,0,0,0|2,0,0]=3 1801 B12R1.226 C=C(F)COc1cccc(c1)Cl 34a_100000210295_100009893438 [0,1,0,0,0,0|2,0,0]=3 1802 B12R1.226 C=C(F)COc1cccc(c1)Cl 7a_100000210295_100000042424 [0,1,0,0,0,0|2,0,0]=3 1803 B12R1.226 C=C(F)COc1cccc(c1)F 34a_100000210426_100009893438 [0,1,0,0,0,0|2,0,0]=3 1804 B12R1.226 C=C(F)COc1cccc(c1)F 7a_100000210426_100000042424 [0,1,0,0,0,0|2,0,0]=3 1805 B12R1.226 C=C(F)COc1cccc(c1)I 34a_100000211634_100009893438 [0,1,0,0,0,0|2,0,0]=3 1806 B12R1.226 C=C(F)COc1cccc(c1)I 7a_100000211634_100000042424 [0,1,0,0,0,0|2,0,0]=3 1807 B12R1.226 C=C(F)COc1cccc(c1)N 34a_100000210217_100009893438 [0,1,0,0,0,0|2,0,0]=3 1808 B12R1.226 C=C(F)COc1cccc(n1)F 34a_100011432558_100009893438 [0,1,0,0,0,0|3,0,0]=4 1809 B12R1.226 C=C(F)COc1ccnc(c1)C 34a_100000688365_100009893438 [0,1,0,0,0,0|3,0,0]=4 1810 B12R1.226 C=C(F)COc1ccnc(c1)Cl 34a_100000762945_100009893438 [0,1,0,0,0,0|3,0,0]=4 1811 B12R1.226 C=C(F)COc1ccnc(c1)F 34a_100000732698_100009893438 [0,1,0,0,0,0|3,0,0]=4 1812 B12R1.226 C=C(F)COc1ccnc(c1)N 34a_100011834064_100009893438 [0,1,0,0,0,0|3,0,0]=4 1813 B12R1.226 C=C(F)COc1cncc(c1)Br 34a_100000754920_100009893438 [0,1,0,0,0,0|3,0,0]=4 1814 B12R1.226 C=C(F)COc1cncc(c1)Br 7a_100000754920_100000042424 [0,1,0,0,0,0|3,0,0]=4 1815 B12R1.226 C=C(F)COc1cncc(c1)C 34a_100011830280_100009893438 [0,1,0,0,0,0|3,0,0]=4 1816 B12R1.226 C=C(F)COc1cncc(c1)C 7a_100011830280_100000042424 [0,1,0,0,0,0|3,0,0]=4 1817 B12R1.226 C=C(F)COc1cncc(c1)Cl 7a_100000032511_100000042424 [0,1,0,0,0,0|3,0,0]=4 1818 B12R1.226 C=C(F)COc1cncc(c1)F 34a_100011830296_100009893438 [0,1,0,0,0,0|3,0,0]=4 1819 B12R1.226 C=C(F)COc1cncc(c1)F 7a_100011830296_100000042424 [0,1,0,0,0,0|3,0,0]=4 1820 B12R1.226 C=C(F)COc1cncc(c1)N 34a_100011997051_100009893438 [0,1,0,0,0,0|3,0,0]=4 1821 B12R1.226 C=C(F)CSc1cccc(c1)Br 62a_100000042424_100000691529 [0,1,0,0,0,0|2,1,0]=4 1822 B12R1.226 C=C(F)CSc1cccc(c1)Br 62a_100000691529_100000042424 [0,1,0,0,0,0|2,1,0]=4 1823 B12R1.226 C=C(F)CSc1cccc(c1)C 62a_100000042424_100011215228 [0,1,0,0,0,0|2,1,0]=4 1824 B12R1.226 C=C(F)CSc1cccc(c1)C 62a_100011215228_100000042424 [0,1,0,0,0,0|2,1,0]=4 1825 B12R1.226 C=C(F)CSc1cccc(c1)Cl 62a_100000042424_100000699651 [0,1,0,0,0,0|2,1,0]=4 1826 B12R1.226 C=C(F)CSc1cccc(c1)Cl 62a_100000699651_100000042424 [0,1,0,0,0,0|2,1,0]=4 1827 B12R1.226 C=C(F)CSc1cccc(c1)F 62a_100000042424_100000685547 [0,1,0,0,0,0|2,1,0]=4 1828 B12R1.226 C=C(F)CSc1cccc(c1)F 62a_100000685547_100000042424 [0,1,0,0,0,0|2,1,0]=4 1829 B12R1.226 C=C(F)CSc1cccc(c1)N 62a_100000042424_100000210019 [0,1,0,0,0,0|2,1,0]=4 1830 B12R1.226 C=C(F)CSc1cccc(c1)N 62a_100000210019_100000042424 [0,1,0,0,0,0|2,1,0]=4 1831 B12R1.226 C=C(F)CSc1cccc(c1)O 62a_100000042424_100000211634 [0,1,0,0,0,0|2,1,0]=4 1832 B12R1.226 C=C(F)CSc1cccc(c1)[S] 62a_100000042424_114929384022 [0,1,0,0,0,0|2,1,0]=4 1833 B12R1.226 C=C(F)CSc1cccc(c1)[S] 62a_114929384022_100000042424 [0,1,0,0,0,0|2,1,0]=4 1834 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [0,1,0,0,0,0|2,0,1]=4 1835 B12R1.226 CC(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200000210301 [0,1,0,0,0,0|2,0,1]=4 1836 B12R1.226 CC(=O)C#Cc1cccc(c1)C 1458a_100011892726_200000210301 [0,1,0,0,0,0|2,0,1]=4 1837 B12R1.226 CC(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200000210301 [0,1,0,0,0,0|2,0,1]=4 1838 B12R1.226 CC(=O)C#Cc1cccc(c1)F 1458a_100011892744_200000210301 [0,1,0,0,0,0|2,0,1]=4 1839 B12R1.226 CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_200000210301 [0,1,0,0,0,0|2,0,1]=4 1840 B12R1.226 CC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200000210301 [0,1,0,0,0,0|2,0,1]=4 1841 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,1,0,0,0,0|2,0,1]=4 1842 B12R1.226 CC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200000210301 [0,1,0,0,0,0|2,0,1]=4 1843 B12R1.226 CC(=O)C=Cc1cccc(c1)F 1458a_100000718793_200000210301 [0,1,0,0,0,0|2,0,1]=4 1844 B12R1.226 CC(=O)C=Cc1cccc(c1)I 1458a_100020647043_200000210301 [0,1,0,0,0,0|2,0,1]=4 1845 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [0,1,0,0,0,0|2,0,0]=3 1846 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [0,1,0,0,0,0|2,0,0]=3 1847 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,1,0,0,0,0|2,0,0]=3 1848 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,1,0,0,0,0|2,0,0]=3 1849 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [0,1,0,0,0,0|2,0,0]=3 1850 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [0,1,0,0,0,0|2,0,0]=3 1851 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [0,1,0,0,0,0|2,0,0]=3 1852 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [0,1,0,0,0,0|2,0,0]=3 1853 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [0,1,0,0,0,0|2,0,0]=3 1854 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [0,1,0,0,0,0|2,0,0]=3 1855 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [0,1,0,0,0,0|2,0,0]=3 1856 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [0,1,0,0,0,0|1,0,0]=2 1857 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,1,0,0,0,0|1,0,0]=2 1858 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,1,0,0,0,0|1,0,0]=2 1859 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [0,1,0,0,0,0|1,0,0]=2 1860 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,1,0,0,0,0|1,1,0]=3 1861 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [0,1,0,0,0,0|3,0,0]=4 1862 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [0,1,0,0,0,0|3,0,0]=4 1863 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [0,1,0,0,0,0|3,0,0]=4 1864 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [0,1,0,0,0,0|3,0,0]=4 1865 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,1,0,0,0,0|3,0,0]=4 1866 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,1,0,0,0,0|3,0,0]=4 1867 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,1,0,0,0,0|3,0,0]=4 1868 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,1,0,0,0,0|3,0,0]=4 1869 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [0,1,0,0,0,0|3,0,0]=4 1870 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [0,1,0,0,0,0|3,0,0]=4 1871 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [0,1,0,0,0,0|3,0,0]=4 1872 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [0,1,0,0,0,0|3,0,0]=4 1873 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [0,1,0,0,0,0|3,0,0]=4 1874 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [0,1,0,0,0,0|3,0,0]=4 1875 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [0,1,0,0,0,0|3,0,0]=4 1876 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [0,1,0,0,0,0|3,0,0]=4 1877 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [0,1,0,0,0,0|3,0,0]=4 1878 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [0,1,0,0,0,0|3,0,0]=4 1879 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [0,1,0,0,0,0|3,0,0]=4 1880 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [0,1,0,0,0,0|3,0,0]=4 1881 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [0,1,0,0,0,0|3,0,0]=4 1882 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [0,1,0,0,0,0|3,0,0]=4 1883 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [0,1,0,0,0,0|3,0,0]=4 1884 B12R1.226 CC(=O)NNc1cccc(c1)Br 22a_100000217339_100000070787 [0,1,0,0,0,0|3,0,0]=4 1885 B12R1.226 CC(=O)NNc1cccc(c1)C 22a_100000681630_100000070787 [0,1,0,0,0,0|3,0,0]=4 1886 B12R1.226 CC(=O)NNc1cccc(c1)Cl 22a_100000184277_100000070787 [0,1,0,0,0,0|3,0,0]=4 1887 B12R1.226 CC(=O)NNc1cccc(c1)F 22a_100000745080_100000070787 [0,1,0,0,0,0|3,0,0]=4 1888 B12R1.226 CC(=O)NNc1cccc(c1)I 22a_100020605690_100000070787 [0,1,0,0,0,0|3,0,0]=4 1889 B12R1.226 CC(C)COc1cccc(c1)Br 34a_100000210342_100000210624 [0,1,0,0,0,0|2,0,1]=4 1890 B12R1.226 CC(C)COc1cccc(c1)Br 7a_100000210342_100000210760 [0,1,0,0,0,0|2,0,1]=4 1891 B12R1.226 CC(C)COc1cccc(c1)Cl 34a_100000210295_100000210624 [0,1,0,0,0,0|2,0,1]=4 1892 B12R1.226 CC(C)COc1cccc(c1)Cl 7a_100000210295_100000210760 [0,1,0,0,0,0|2,0,1]=4 1893 B12R1.226 CC(C)COc1cccc(c1)F 34a_100000210426_100000210624 [0,1,0,0,0,0|2,0,1]=4 1894 B12R1.226 CC(C)COc1cccc(c1)F 7a_100000210426_100000210760 [0,1,0,0,0,0|2,0,1]=4 1895 B12R1.226 CC(C)COc1cccc(c1)I 34a_100000211634_100000210624 [0,1,0,0,0,0|2,0,1]=4 1896 B12R1.226 CC(C)COc1cccc(c1)I 7a_100000211634_100000210760 [0,1,0,0,0,0|2,0,1]=4 1897 B12R1.226 CC(C)COc1cccc(c1)N 34a_100000210217_100000210624 [0,1,0,0,0,0|2,0,1]=4 1898 B12R1.226 CC(C)COc1cccc(c1)O 271570a_203496583355_200000170005 [0,1,0,0,0,0|2,0,1]=4 1899 B12R1.226 CC(O)CNc1cccc(c1)Br 34a_100000210019_100011218427 [0,1,0,0,0,0|2,0,1]=4 1900 B12R1.226 CC(O)CNc1cccc(c1)Cl 34a_100000185859_100011218427 [0,1,0,0,0,0|2,0,1]=4 1901 B12R1.226 CC(O)CNc1cccc(c1)F 34a_100000210047_100011218427 [0,1,0,0,0,0|2,0,1]=4 1902 B12R1.226 CC(O)CNc1cccc(c1)I 34a_100000211102_100011218427 [0,1,0,0,0,0|2,0,1]=4 1903 B12R1.226 CC(O)CNc1cccc(c1)O 34a_100000210217_100011218427 [0,1,0,0,0,0|2,0,1]=4 1904 B12R1.226 CC(O)COc1cc[nH]c(=O)c1 34a_100000032262_100011218427 [0,1,0,0,0,0|2,0,1]=4 1905 B12R1.226 CC(O)COc1ccc[n+](c1)[O-] 34a_100000039713_100011218427 [0,1,0,0,0,0|2,0,1]=4 1906 B12R1.226 CC(O)COc1ccc[n+](c1)[O-] 7a_100000039713_100011218427 [0,1,0,0,0,0|2,0,1]=4 1907 B12R1.226 CC(O)COc1cccc(=O)[nH]1 34a_100000033347_100011218427 [0,1,0,0,0,0|2,0,1]=4 1908 B12R1.226 CC(O)COc1cccc(c1)Br 34a_100000210342_100011218427 [0,1,0,0,0,0|1,0,1]=3 1909 B12R1.226 CC(O)COc1cccc(c1)Br 7a_100000210342_100011218427 [0,1,0,0,0,0|1,0,1]=3 1910 B12R1.226 CC(O)COc1cccc(c1)Cl 34a_100000210295_100011218427 [0,1,0,0,0,0|1,0,1]=3 1911 B12R1.226 CC(O)COc1cccc(c1)Cl 7a_100000210295_100011218427 [0,1,0,0,0,0|1,0,1]=3 1912 B12R1.226 CC(O)COc1cccc(c1)F 34a_100000210426_100011218427 [0,1,0,0,0,0|1,0,1]=3 1913 B12R1.226 CC(O)COc1cccc(c1)F 7a_100000210426_100011218427 [0,1,0,0,0,0|1,0,1]=3 1914 B12R1.226 CC(O)COc1cccc(c1)I 34a_100000211634_100011218427 [0,1,0,0,0,0|1,0,1]=3 1915 B12R1.226 CC(O)COc1cccc(c1)I 7a_100000211634_100011218427 [0,1,0,0,0,0|1,0,1]=3 1916 B12R1.226 CC(O)COc1cccc(c1)N 34a_100000210217_100011218427 [0,1,0,0,0,0|1,0,1]=3 1917 B12R1.226 CC(O)COc1cccc(n1)F 34a_100011432558_100011218427 [0,1,0,0,0,0|2,0,1]=4 1918 B12R1.226 CC(O)COc1ccnc(c1)Cl 34a_100000762945_100011218427 [0,1,0,0,0,0|2,0,1]=4 1919 B12R1.226 CC(O)COc1ccnc(c1)F 34a_100000732698_100011218427 [0,1,0,0,0,0|2,0,1]=4 1920 B12R1.226 CC(O)COc1ccnc(c1)N 34a_100011834064_100011218427 [0,1,0,0,0,0|2,0,1]=4 1921 B12R1.226 CC(O)COc1cncc(c1)Br 34a_100000754920_100011218427 [0,1,0,0,0,0|2,0,1]=4 1922 B12R1.226 CC(O)COc1cncc(c1)Br 7a_100000754920_100011218427 [0,1,0,0,0,0|2,0,1]=4 1923 B12R1.226 CC(O)COc1cncc(c1)Cl 7a_100000032511_100011218427 [0,1,0,0,0,0|2,0,1]=4 1924 B12R1.226 CC(O)COc1cncc(c1)F 34a_100011830296_100011218427 [0,1,0,0,0,0|2,0,1]=4 1925 B12R1.226 CC(O)COc1cncc(c1)F 7a_100011830296_100011218427 [0,1,0,0,0,0|2,0,1]=4 1926 B12R1.226 CC(O)COc1cncc(c1)N 34a_100011997051_100011218427 [0,1,0,0,0,0|2,0,1]=4 1927 B12R1.226 CC(O)CSc1cccc(c1)Br 62a_100000691529_100011218427 [0,1,0,0,0,0|1,1,1]=4 1928 B12R1.226 CC(O)CSc1cccc(c1)Br 62a_100011218427_100000691529 [0,1,0,0,0,0|1,1,1]=4 1929 B12R1.226 CC(O)CSc1cccc(c1)Cl 62a_100000699651_100011218427 [0,1,0,0,0,0|1,1,1]=4 1930 B12R1.226 CC(O)CSc1cccc(c1)Cl 62a_100011218427_100000699651 [0,1,0,0,0,0|1,1,1]=4 1931 B12R1.226 CC(O)CSc1cccc(c1)F 62a_100000685547_100011218427 [0,1,0,0,0,0|1,1,1]=4 1932 B12R1.226 CC(O)CSc1cccc(c1)F 62a_100011218427_100000685547 [0,1,0,0,0,0|1,1,1]=4 1933 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100000210019_100011218427 [0,1,0,0,0,0|1,1,1]=4 1934 B12R1.226 CC(O)CSc1cccc(c1)N 62a_100011218427_100000210019 [0,1,0,0,0,0|1,1,1]=4 1935 B12R1.226 CC(O)CSc1cccc(c1)O 62a_100011218427_100000211634 [0,1,0,0,0,0|1,1,1]=4 1936 B12R1.226 CC(O)CSc1cccc(c1)[S] 62a_100011218427_114929384022 [0,1,0,0,0,0|1,1,1]=4 1937 B12R1.226 CC(O)CSc1cccc(c1)[S] 62a_114929384022_100011218427 [0,1,0,0,0,0|1,1,1]=4 1938 B12R1.226 C[C@@H](O)CNc1cccc(c1)Br 34a_100000210019_100009817552 [0,1,0,0,0,0|2,0,1]=4 1939 B12R1.226 C[C@@H](O)CNc1cccc(c1)Cl 34a_100000185859_100009817552 [0,1,0,0,0,0|2,0,1]=4 1940 B12R1.226 C[C@@H](O)CNc1cccc(c1)F 34a_100000210047_100009817552 [0,1,0,0,0,0|2,0,1]=4 1941 B12R1.226 C[C@@H](O)CNc1cccc(c1)I 34a_100000211102_100009817552 [0,1,0,0,0,0|2,0,1]=4 1942 B12R1.226 C[C@@H](O)CNc1cccc(c1)O 34a_100000210217_100009817552 [0,1,0,0,0,0|2,0,1]=4 1943 B12R1.226 C[C@@H](O)COc1cc[nH]c(=O)c1 34a_100000032262_100009817552 [0,1,0,0,0,0|2,0,1]=4 1944 B12R1.226 C[C@@H](O)COc1ccc[n+](c1)[O-] 34a_100000039713_100009817552 [0,1,0,0,0,0|2,0,1]=4 1945 B12R1.226 C[C@@H](O)COc1ccc[n+](c1)[O-] 7a_100000039713_100009817552 [0,1,0,0,0,0|2,0,1]=4 1946 B12R1.226 C[C@@H](O)COc1cccc(=O)[nH]1 34a_100000033347_100009817552 [0,1,0,0,0,0|2,0,1]=4 1947 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 34a_100000210342_100009817552 [0,1,0,0,0,0|1,0,1]=3 1948 B12R1.226 C[C@@H](O)COc1cccc(c1)Br 7a_100000210342_100009817552 [0,1,0,0,0,0|1,0,1]=3 1949 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 34a_100000210295_100009817552 [0,1,0,0,0,0|1,0,1]=3 1950 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 7a_100000210295_100009817552 [0,1,0,0,0,0|1,0,1]=3 1951 B12R1.226 C[C@@H](O)COc1cccc(c1)F 34a_100000210426_100009817552 [0,1,0,0,0,0|1,0,1]=3 1952 B12R1.226 C[C@@H](O)COc1cccc(c1)F 7a_100000210426_100009817552 [0,1,0,0,0,0|1,0,1]=3 1953 B12R1.226 C[C@@H](O)COc1cccc(c1)I 34a_100000211634_100009817552 [0,1,0,0,0,0|1,0,1]=3 1954 B12R1.226 C[C@@H](O)COc1cccc(c1)I 7a_100000211634_100009817552 [0,1,0,0,0,0|1,0,1]=3 1955 B12R1.226 C[C@@H](O)COc1cccc(c1)N 34a_100000210217_100009817552 [0,1,0,0,0,0|1,0,1]=3 1956 B12R1.226 C[C@@H](O)COc1cccc(n1)F 34a_100011432558_100009817552 [0,1,0,0,0,0|2,0,1]=4 1957 B12R1.226 C[C@@H](O)COc1ccnc(c1)Cl 34a_100000762945_100009817552 [0,1,0,0,0,0|2,0,1]=4 1958 B12R1.226 C[C@@H](O)COc1ccnc(c1)F 34a_100000732698_100009817552 [0,1,0,0,0,0|2,0,1]=4 1959 B12R1.226 C[C@@H](O)COc1ccnc(c1)N 34a_100011834064_100009817552 [0,1,0,0,0,0|2,0,1]=4 1960 B12R1.226 C[C@@H](O)COc1cncc(c1)Br 34a_100000754920_100009817552 [0,1,0,0,0,0|2,0,1]=4 1961 B12R1.226 C[C@@H](O)COc1cncc(c1)Br 7a_100000754920_100009817552 [0,1,0,0,0,0|2,0,1]=4 1962 B12R1.226 C[C@@H](O)COc1cncc(c1)Cl 7a_100000032511_100009817552 [0,1,0,0,0,0|2,0,1]=4 1963 B12R1.226 C[C@@H](O)COc1cncc(c1)F 34a_100011830296_100009817552 [0,1,0,0,0,0|2,0,1]=4 1964 B12R1.226 C[C@@H](O)COc1cncc(c1)F 7a_100011830296_100009817552 [0,1,0,0,0,0|2,0,1]=4 1965 B12R1.226 C[C@@H](O)COc1cncc(c1)N 34a_100011997051_100009817552 [0,1,0,0,0,0|2,0,1]=4 1966 B12R1.226 C[C@@H](O)CSc1cccc(c1)Br 62a_100000691529_100009817552 [0,1,0,0,0,0|1,1,1]=4 1967 B12R1.226 C[C@@H](O)CSc1cccc(c1)Br 62a_100009817552_100000691529 [0,1,0,0,0,0|1,1,1]=4 1968 B12R1.226 C[C@@H](O)CSc1cccc(c1)Cl 62a_100000699651_100009817552 [0,1,0,0,0,0|1,1,1]=4 1969 B12R1.226 C[C@@H](O)CSc1cccc(c1)Cl 62a_100009817552_100000699651 [0,1,0,0,0,0|1,1,1]=4 1970 B12R1.226 C[C@@H](O)CSc1cccc(c1)F 62a_100000685547_100009817552 [0,1,0,0,0,0|1,1,1]=4 1971 B12R1.226 C[C@@H](O)CSc1cccc(c1)F 62a_100009817552_100000685547 [0,1,0,0,0,0|1,1,1]=4 1972 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100000210019_100009817552 [0,1,0,0,0,0|1,1,1]=4 1973 B12R1.226 C[C@@H](O)CSc1cccc(c1)N 62a_100009817552_100000210019 [0,1,0,0,0,0|1,1,1]=4 1974 B12R1.226 C[C@@H](O)CSc1cccc(c1)O 62a_100009817552_100000211634 [0,1,0,0,0,0|1,1,1]=4 1975 B12R1.226 C[C@@H](O)CSc1cccc(c1)[S] 62a_100009817552_114929384022 [0,1,0,0,0,0|1,1,1]=4 1976 B12R1.226 C[C@@H](O)CSc1cccc(c1)[S] 62a_114929384022_100009817552 [0,1,0,0,0,0|1,1,1]=4 1977 B12R1.226 C[n+]1cccc(c1)SCC(=O)N 62a_100000747473_100009996589 [0,1,0,0,0,0|2,1,0]=4 1978 B12R1.226 C[n+]1cccc(c1)SCC(=O)N 62a_100009996589_100000747473 [0,1,0,0,0,0|2,1,0]=4 1979 B12R1.226 C[n+]1cccc(c1)SCC(=O)[O-] 62a_100009996589_100020667443 [0,1,0,0,0,0|1,1,1]=4 1980 B12R1.226 C[n+]1cccc(c1)SCC(=O)[O-] 62a_100020667443_100009996589 [0,1,0,0,0,0|1,1,1]=4 1981 B12R1.226 Cc1cc(ccn1)OCC(=O)N 34a_100000688365_100000187820 [0,1,0,0,0,0|2,0,0]=3 1982 B12R1.226 Cc1cc(ccn1)OCC(=O)[O-] 34a_100000688365_100020667443 [0,1,0,0,0,0|1,0,1]=3 1983 B12R1.226 Cc1cc(ccn1)OCC(C)O 34a_100000688365_100011218427 [0,1,0,0,0,0|2,0,1]=4 1984 B12R1.226 Cc1cc(ccn1)OC[C@@H](C)O 34a_100000688365_100009817552 [0,1,0,0,0,0|2,0,1]=4 1985 B12R1.226 Cc1cc(ccn1)OC[N+](=O)[O-] 34a_100000688365_100000761209 [0,1,0,0,0,0|2,0,1]=4 1986 B12R1.226 Cc1cc(ccn1)SCC(=O)N 62a_100000747473_100000758586 [0,1,0,0,0,0|2,1,0]=4 1987 B12R1.226 Cc1cc(ccn1)SCC(=O)N 62a_100000758586_100000747473 [0,1,0,0,0,0|2,1,0]=4 1988 B12R1.226 Cc1cc(ccn1)SCC(=O)[O-] 62a_100000758586_100020667443 [0,1,0,0,0,0|1,1,1]=4 1989 B12R1.226 Cc1cc(ccn1)SCC(=O)[O-] 62a_100020667443_100000758586 [0,1,0,0,0,0|1,1,1]=4 1990 B12R1.226 Cc1cccc(c1)C#CC(=O)[13CH3] 1458a_100011892726_200025704644 [0,1,0,0,0,0|2,0,1]=4 1991 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,1,0,0,0,0|2,0,1]=4 1992 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,1,0,0,0,0|2,0,0]=3 1993 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,1,0,0,0,0|2,0,0]=3 1994 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,1,0,0,0,0|2,0,0]=3 1995 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,1,0,0,0,0|1,0,1]=3 1996 B12R1.226 Cc1cccc(c1)NCC(C)O 2230a_100000188690_100011218427 [0,1,0,0,0,0|2,0,1]=4 1997 B12R1.226 Cc1cccc(c1)NCC(C)O 34a_100000188690_100011218427 [0,1,0,0,0,0|2,0,1]=4 1998 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 2230a_100000188690_100009817552 [0,1,0,0,0,0|2,0,1]=4 1999 B12R1.226 Cc1cccc(c1)NC[C@@H](C)O 34a_100000188690_100009817552 [0,1,0,0,0,0|2,0,1]=4 2000 B12R1.226 Cc1cccc(c1)NC[N+](=O)[O-] 34a_100000188690_100000761209 [0,1,0,0,0,0|2,0,1]=4 2001 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,1,0,0,0,0|1,0,0]=2 2002 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,1,0,0,0,0|1,0,0]=2 2003 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,1,0,0,0,0|1,0,0]=2 2004 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,1,0,0,0,0|0,0,1]=2 2005 B12R1.226 Cc1cccc(c1)OCC(C)C 34a_100000210337_100000210624 [0,1,0,0,0,0|2,0,1]=4 2006 B12R1.226 Cc1cccc(c1)OCC(C)C 7a_100000210337_100000210760 [0,1,0,0,0,0|2,0,1]=4 2007 B12R1.226 Cc1cccc(c1)OCC(C)O 34a_100000210337_100011218427 [0,1,0,0,0,0|1,0,1]=3 2008 B12R1.226 Cc1cccc(c1)OCC(C)O 7a_100000210337_100011218427 [0,1,0,0,0,0|1,0,1]=3 2009 B12R1.226 Cc1cccc(c1)OCC(F)F 34a_100000210337_100011934356 [0,1,0,0,0,0|2,0,1]=4 2010 B12R1.226 Cc1cccc(c1)OCC(F)F 7a_100000210337_100011934356 [0,1,0,0,0,0|2,0,1]=4 2011 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 34a_100000210337_100009817552 [0,1,0,0,0,0|1,0,1]=3 2012 B12R1.226 Cc1cccc(c1)OC[C@@H](C)O 7a_100000210337_100009817552 [0,1,0,0,0,0|1,0,1]=3 2013 B12R1.226 Cc1cccc(c1)OC[N+](=O)[O-] 34a_100000210337_100000761209 [0,1,0,0,0,0|1,0,1]=3 2014 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,1,0,0,0,0|1,1,0]=3 2015 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,1,0,0,0,0|1,1,0]=3 2016 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,1,0,0,0,0|0,1,1]=3 2017 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,1,0,0,0,0|0,1,1]=3 2018 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011215228_100011218427 [0,1,0,0,0,0|1,1,1]=4 2019 B12R1.226 Cc1cccc(c1)SCC(C)O 62a_100011218427_100011215228 [0,1,0,0,0,0|1,1,1]=4 2020 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100009817552_100011215228 [0,1,0,0,0,0|1,1,1]=4 2021 B12R1.226 Cc1cccc(c1)SC[C@@H](C)O 62a_100011215228_100009817552 [0,1,0,0,0,0|1,1,1]=4 2022 B12R1.226 Cc1cccc(c1)SC[N+](=O)[O-] 62a_100011215228_100000761209 [0,1,0,0,0,0|1,1,1]=4 2023 B12R1.226 Cc1cccc(n1)SCC(=O)N 62a_100000742759_100000747473 [0,1,0,0,0,0|2,1,0]=4 2024 B12R1.226 Cc1cccc(n1)SCC(=O)N 62a_100000747473_100000742759 [0,1,0,0,0,0|2,1,0]=4 2025 B12R1.226 Cc1cccc(n1)SCC(=O)[O-] 62a_100000742759_100020667443 [0,1,0,0,0,0|1,1,1]=4 2026 B12R1.226 Cc1cccc(n1)SCC(=O)[O-] 62a_100020667443_100000742759 [0,1,0,0,0,0|1,1,1]=4 2027 B12R1.226 Cc1ccnc(c1)SCC(=O)N 62a_100000747473_100000750283 [0,1,0,0,0,0|2,1,0]=4 2028 B12R1.226 Cc1ccnc(c1)SCC(=O)N 62a_100000750283_100000747473 [0,1,0,0,0,0|2,1,0]=4 2029 B12R1.226 Cc1ccnc(c1)SCC(=O)[O-] 62a_100000750283_100020667443 [0,1,0,0,0,0|1,1,1]=4 2030 B12R1.226 Cc1ccnc(c1)SCC(=O)[O-] 62a_100020667443_100000750283 [0,1,0,0,0,0|1,1,1]=4 2031 B12R1.226 Cc1cncc(c1)OCC(=O)N 34a_100011830280_100000187820 [0,1,0,0,0,0|2,0,0]=3 2032 B12R1.226 Cc1cncc(c1)OCC(=O)N 7a_100011830280_100000187820 [0,1,0,0,0,0|2,0,0]=3 2033 B12R1.226 Cc1cncc(c1)OCC(=O)[O-] 34a_100011830280_100020667443 [0,1,0,0,0,0|1,0,1]=3 2034 B12R1.226 Cc1cncc(c1)OCC(C)O 34a_100011830280_100011218427 [0,1,0,0,0,0|2,0,1]=4 2035 B12R1.226 Cc1cncc(c1)OCC(C)O 7a_100011830280_100011218427 [0,1,0,0,0,0|2,0,1]=4 2036 B12R1.226 Cc1cncc(c1)OC[C@@H](C)O 34a_100011830280_100009817552 [0,1,0,0,0,0|2,0,1]=4 2037 B12R1.226 Cc1cncc(c1)OC[C@@H](C)O 7a_100011830280_100009817552 [0,1,0,0,0,0|2,0,1]=4 2038 B12R1.226 Cc1cncc(c1)OC[N+](=O)[O-] 34a_100011830280_100000761209 [0,1,0,0,0,0|2,0,1]=4 2039 B12R1.226 Cc1cncc(c1)SCC(=O)N 62a_100000747473_100000760492 [0,1,0,0,0,0|2,1,0]=4 2040 B12R1.226 Cc1cncc(c1)SCC(=O)N 62a_100000760492_100000747473 [0,1,0,0,0,0|2,1,0]=4 2041 B12R1.226 Cc1cncc(c1)SCC(=O)[O-] 62a_100000760492_100020667443 [0,1,0,0,0,0|1,1,1]=4 2042 B12R1.226 Cc1cncc(c1)SCC(=O)[O-] 62a_100020667443_100000760492 [0,1,0,0,0,0|1,1,1]=4 2043 B12R1.226 Cc1cnnc(c1)OCC(=O)N 34a_100000766097_100000187820 [0,1,0,0,0,0|3,0,0]=4 2044 B12R1.226 Cc1cnnc(c1)OCC(=O)[O-] 34a_100000766097_100020667443 [0,1,0,0,0,0|2,0,1]=4 2045 B12R1.226 FC(F)COc1cccc(c1)Br 34a_100000210342_100011934356 [0,1,0,0,0,0|2,0,1]=4 2046 B12R1.226 FC(F)COc1cccc(c1)Br 7a_100000210342_100011934356 [0,1,0,0,0,0|2,0,1]=4 2047 B12R1.226 FC(F)COc1cccc(c1)Cl 34a_100000210295_100011934356 [0,1,0,0,0,0|2,0,1]=4 2048 B12R1.226 FC(F)COc1cccc(c1)Cl 7a_100000210295_100011934356 [0,1,0,0,0,0|2,0,1]=4 2049 B12R1.226 FC(F)COc1cccc(c1)I 34a_100000211634_100011934356 [0,1,0,0,0,0|2,0,1]=4 2050 B12R1.226 FC(F)COc1cccc(c1)I 7a_100000211634_100011934356 [0,1,0,0,0,0|2,0,1]=4 2051 B12R1.226 Fc1cccc(c1)OCC(F)F 34a_100000210426_100011934356 [0,1,0,0,0,0|2,0,1]=4 2052 B12R1.226 Fc1cccc(c1)OCC(F)F 7a_100000210426_100011934356 [0,1,0,0,0,0|2,0,1]=4 2053 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [0,1,0,0,0,0|2,0,0]=3 2054 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [0,1,0,0,0,0|2,0,0]=3 2055 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [0,1,0,0,0,0|2,0,0]=3 2056 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [0,1,0,0,0,0|2,0,0]=3 2057 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [0,1,0,0,0,0|2,0,0]=3 2058 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [0,1,0,0,0,0|2,0,0]=3 2059 B12R1.226 NC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000187820 [0,1,0,0,0,0|2,0,0]=3 2060 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000187820 [0,1,0,0,0,0|2,0,0]=3 2061 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000187820 [0,1,0,0,0,0|2,0,0]=3 2062 B12R1.226 NC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000187820 [0,1,0,0,0,0|2,0,0]=3 2063 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [0,1,0,0,0,0|1,0,0]=2 2064 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [0,1,0,0,0,0|1,0,0]=2 2065 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,1,0,0,0,0|1,0,0]=2 2066 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,1,0,0,0,0|1,0,0]=2 2067 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [0,1,0,0,0,0|1,0,0]=2 2068 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [0,1,0,0,0,0|1,0,0]=2 2069 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [0,1,0,0,0,0|1,0,0]=2 2070 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [0,1,0,0,0,0|1,0,0]=2 2071 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [0,1,0,0,0,0|1,0,0]=2 2072 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [0,1,0,0,0,0|1,0,0]=2 2073 B12R1.226 NC(=O)COc1cccc(n1)F 34a_100011432558_100000187820 [0,1,0,0,0,0|2,0,0]=3 2074 B12R1.226 NC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000187820 [0,1,0,0,0,0|2,0,0]=3 2075 B12R1.226 NC(=O)COc1ccnc(c1)F 34a_100000732698_100000187820 [0,1,0,0,0,0|2,0,0]=3 2076 B12R1.226 NC(=O)COc1ccnc(c1)N 34a_100011834064_100000187820 [0,1,0,0,0,0|2,0,0]=3 2077 B12R1.226 NC(=O)COc1cncc(c1)Br 34a_100000754920_100000187820 [0,1,0,0,0,0|2,0,0]=3 2078 B12R1.226 NC(=O)COc1cncc(c1)Br 7a_100000754920_100000187820 [0,1,0,0,0,0|2,0,0]=3 2079 B12R1.226 NC(=O)COc1cncc(c1)Cl 7a_100000032511_100000187820 [0,1,0,0,0,0|2,0,0]=3 2080 B12R1.226 NC(=O)COc1cncc(c1)F 34a_100011830296_100000187820 [0,1,0,0,0,0|2,0,0]=3 2081 B12R1.226 NC(=O)COc1cncc(c1)F 7a_100011830296_100000187820 [0,1,0,0,0,0|2,0,0]=3 2082 B12R1.226 NC(=O)COc1cncc(c1)N 34a_100011997051_100000187820 [0,1,0,0,0,0|2,0,0]=3 2083 B12R1.226 NC(=O)COc1cnnc(c1)Cl 34a_200010734679_100000187820 [0,1,0,0,0,0|3,0,0]=4 2084 B12R1.226 NC(=O)COc1cnnc(c1)N 34a_200015193112_100000187820 [0,1,0,0,0,0|3,0,0]=4 2085 B12R1.226 NC(=O)CSc1cc(=O)cc[nH]1 62a_100009817434_100000747473 [0,1,0,0,0,0|2,1,0]=4 2086 B12R1.226 NC(=O)CSc1cc(ccn1)Cl 62a_100000747473_100010167805 [0,1,0,0,0,0|2,1,0]=4 2087 B12R1.226 NC(=O)CSc1cc(ccn1)Cl 62a_100010167805_100000747473 [0,1,0,0,0,0|2,1,0]=4 2088 B12R1.226 NC(=O)CSc1cc(ccn1)F 62a_100000747473_100000764206 [0,1,0,0,0,0|2,1,0]=4 2089 B12R1.226 NC(=O)CSc1cc(ccn1)F 62a_100000764206_100000747473 [0,1,0,0,0,0|2,1,0]=4 2090 B12R1.226 NC(=O)CSc1cc(ccn1)N 62a_100000747473_100009814236 [0,1,0,0,0,0|2,1,0]=4 2091 B12R1.226 NC(=O)CSc1cc(ccn1)N 62a_100009814236_100000747473 [0,1,0,0,0,0|2,1,0]=4 2092 B12R1.226 NC(=O)CSc1cc(ccn1)O 62a_100000747473_100000762945 [0,1,0,0,0,0|2,1,0]=4 2093 B12R1.226 NC(=O)CSc1cc[nH]c(=O)c1 62a_100000747473_100009816521 [0,1,0,0,0,0|2,1,0]=4 2094 B12R1.226 NC(=O)CSc1cc[nH]c(=O)c1 62a_100009816521_100000747473 [0,1,0,0,0,0|2,1,0]=4 2095 B12R1.226 NC(=O)CSc1ccc[n+](c1)[O-] 62a_100000747473_100009815978 [0,1,0,0,0,0|2,1,0]=4 2096 B12R1.226 NC(=O)CSc1cccc(=O)[nH]1 62a_100000747473_100000752884 [0,1,0,0,0,0|2,1,0]=4 2097 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [0,1,0,0,0,0|1,1,0]=3 2098 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [0,1,0,0,0,0|1,1,0]=3 2099 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [0,1,0,0,0,0|1,1,0]=3 2100 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [0,1,0,0,0,0|1,1,0]=3 2101 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [0,1,0,0,0,0|1,1,0]=3 2102 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [0,1,0,0,0,0|1,1,0]=3 2103 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [0,1,0,0,0,0|1,1,0]=3 2104 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [0,1,0,0,0,0|1,1,0]=3 2105 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [0,1,0,0,0,0|1,1,0]=3 2106 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [0,1,0,0,0,0|1,1,0]=3 2107 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [0,1,0,0,0,0|1,1,0]=3 2108 B12R1.226 NC(=O)CSc1cccc(n1)Br 62a_100000684672_100000747473 [0,1,0,0,0,0|2,1,0]=4 2109 B12R1.226 NC(=O)CSc1cccc(n1)Br 62a_100000747473_100000684672 [0,1,0,0,0,0|2,1,0]=4 2110 B12R1.226 NC(=O)CSc1cccc(n1)Cl 62a_100000051397_100000747473 [0,1,0,0,0,0|2,1,0]=4 2111 B12R1.226 NC(=O)CSc1cccc(n1)Cl 62a_100000747473_100000051397 [0,1,0,0,0,0|2,1,0]=4 2112 B12R1.226 NC(=O)CSc1cccc(n1)F 62a_100000747473_100009815982 [0,1,0,0,0,0|2,1,0]=4 2113 B12R1.226 NC(=O)CSc1cccc(n1)F 62a_100009815982_100000747473 [0,1,0,0,0,0|2,1,0]=4 2114 B12R1.226 NC(=O)CSc1cccc(n1)N 62a_100000740741_100000747473 [0,1,0,0,0,0|2,1,0]=4 2115 B12R1.226 NC(=O)CSc1cccc(n1)N 62a_100000747473_100000740741 [0,1,0,0,0,0|2,1,0]=4 2116 B12R1.226 NC(=O)CSc1ccnc(c1)Br 62a_100000747473_100009814637 [0,1,0,0,0,0|2,1,0]=4 2117 B12R1.226 NC(=O)CSc1ccnc(c1)Br 62a_100009814637_100000747473 [0,1,0,0,0,0|2,1,0]=4 2118 B12R1.226 NC(=O)CSc1ccnc(c1)Cl 62a_100000035001_100000747473 [0,1,0,0,0,0|2,1,0]=4 2119 B12R1.226 NC(=O)CSc1ccnc(c1)Cl 62a_100000747473_100000035001 [0,1,0,0,0,0|2,1,0]=4 2120 B12R1.226 NC(=O)CSc1ccnc(c1)F 62a_100000747473_100009816116 [0,1,0,0,0,0|2,1,0]=4 2121 B12R1.226 NC(=O)CSc1ccnc(c1)F 62a_100009816116_100000747473 [0,1,0,0,0,0|2,1,0]=4 2122 B12R1.226 NC(=O)CSc1ccnc(c1)N 62a_100000049665_100000747473 [0,1,0,0,0,0|2,1,0]=4 2123 B12R1.226 NC(=O)CSc1ccnc(c1)N 62a_100000747473_100000049665 [0,1,0,0,0,0|2,1,0]=4 2124 B12R1.226 NC(=O)CSc1cncc(c1)Br 62a_100000728054_100000747473 [0,1,0,0,0,0|2,1,0]=4 2125 B12R1.226 NC(=O)CSc1cncc(c1)Br 62a_100000747473_100000728054 [0,1,0,0,0,0|2,1,0]=4 2126 B12R1.226 NC(=O)CSc1cncc(c1)Cl 62a_100000049639_100000747473 [0,1,0,0,0,0|2,1,0]=4 2127 B12R1.226 NC(=O)CSc1cncc(c1)Cl 62a_100000747473_100000049639 [0,1,0,0,0,0|2,1,0]=4 2128 B12R1.226 NC(=O)CSc1cncc(c1)F 62a_100000744099_100000747473 [0,1,0,0,0,0|2,1,0]=4 2129 B12R1.226 NC(=O)CSc1cncc(c1)F 62a_100000747473_100000744099 [0,1,0,0,0,0|2,1,0]=4 2130 B12R1.226 NC(=O)CSc1cncc(c1)N 62a_100000687067_100000747473 [0,1,0,0,0,0|2,1,0]=4 2131 B12R1.226 NC(=O)CSc1cncc(c1)N 62a_100000747473_100000687067 [0,1,0,0,0,0|2,1,0]=4 2132 B12R1.226 NC(=O)CSc1cncc(c1)O 62a_100000747473_100000754920 [0,1,0,0,0,0|2,1,0]=4 2133 B12R1.226 NC(=O)CSc1cncc(c1)O 62a_100000754920_100000747473 [0,1,0,0,0,0|2,1,0]=4 2134 B12R1.226 Nc1cc(ccn1)OCC(=O)[O-] 34a_100011834064_100020667443 [0,1,0,0,0,0|1,0,1]=3 2135 B12R1.226 Nc1cc(ccn1)OC[N+](=O)[O-] 34a_100011834064_100000761209 [0,1,0,0,0,0|2,0,1]=4 2136 B12R1.226 Nc1cc(ccn1)SCC(=O)[O-] 62a_100000049665_100020667443 [0,1,0,0,0,0|1,1,1]=4 2137 B12R1.226 Nc1cc(ccn1)SCC(=O)[O-] 62a_100020667443_100000049665 [0,1,0,0,0,0|1,1,1]=4 2138 B12R1.226 Nc1cc(cnn1)OCC(=O)[O-] 34a_200015193112_100020667443 [0,1,0,0,0,0|2,0,1]=4 2139 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,1,0,0,0,0|0,0,1]=2 2140 B12R1.226 Nc1cccc(c1)OCC(F)F 34a_100000210217_100011934356 [0,1,0,0,0,0|2,0,1]=4 2141 B12R1.226 Nc1cccc(c1)OC[N+](=O)[O-] 34a_100000210217_100000761209 [0,1,0,0,0,0|1,0,1]=3 2142 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,1,0,0,0,0|0,1,1]=3 2143 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,1,0,0,0,0|0,1,1]=3 2144 B12R1.226 Nc1cccc(c1)SC[N+](=O)[O-] 62a_100000210019_100000761209 [0,1,0,0,0,0|1,1,1]=4 2145 B12R1.226 Nc1cccc(n1)SCC(=O)[O-] 62a_100000740741_100020667443 [0,1,0,0,0,0|1,1,1]=4 2146 B12R1.226 Nc1cccc(n1)SCC(=O)[O-] 62a_100020667443_100000740741 [0,1,0,0,0,0|1,1,1]=4 2147 B12R1.226 Nc1ccnc(c1)SCC(=O)[O-] 62a_100009814236_100020667443 [0,1,0,0,0,0|1,1,1]=4 2148 B12R1.226 Nc1ccnc(c1)SCC(=O)[O-] 62a_100020667443_100009814236 [0,1,0,0,0,0|1,1,1]=4 2149 B12R1.226 Nc1cncc(c1)OCC(=O)[O-] 34a_100011997051_100020667443 [0,1,0,0,0,0|1,0,1]=3 2150 B12R1.226 Nc1cncc(c1)OC[N+](=O)[O-] 34a_100011997051_100000761209 [0,1,0,0,0,0|2,0,1]=4 2151 B12R1.226 Nc1cncc(c1)SCC(=O)[O-] 62a_100000687067_100020667443 [0,1,0,0,0,0|1,1,1]=4 2152 B12R1.226 Nc1cncc(c1)SCC(=O)[O-] 62a_100020667443_100000687067 [0,1,0,0,0,0|1,1,1]=4 2153 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,1,0,0,0,0|1,0,1]=3 2154 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,1,0,0,0,0|1,0,1]=3 2155 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,1,0,0,0,0|1,0,1]=3 2156 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,1,0,0,0,0|1,0,1]=3 2157 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,1,0,0,0,0|1,0,1]=3 2158 B12R1.226 O=C([O-])COc1cc[nH]c(=O)c1 34a_100000032262_100020667443 [0,1,0,0,0,0|1,0,1]=3 2159 B12R1.226 O=C([O-])COc1ccc[n+](c1)[O-] 34a_100000039713_100020667443 [0,1,0,0,0,0|1,0,1]=3 2160 B12R1.226 O=C([O-])COc1cccc(=O)[nH]1 34a_100000033347_100020667443 [0,1,0,0,0,0|1,0,1]=3 2161 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,1,0,0,0,0|0,0,1]=2 2162 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,1,0,0,0,0|0,0,1]=2 2163 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,1,0,0,0,0|0,0,1]=2 2164 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,1,0,0,0,0|0,0,1]=2 2165 B12R1.226 O=C([O-])COc1cccc(n1)F 34a_100011432558_100020667443 [0,1,0,0,0,0|1,0,1]=3 2166 B12R1.226 O=C([O-])COc1ccnc(c1)Cl 34a_100000762945_100020667443 [0,1,0,0,0,0|1,0,1]=3 2167 B12R1.226 O=C([O-])COc1ccnc(c1)F 34a_100000732698_100020667443 [0,1,0,0,0,0|1,0,1]=3 2168 B12R1.226 O=C([O-])COc1cncc(c1)Br 34a_100000754920_100020667443 [0,1,0,0,0,0|1,0,1]=3 2169 B12R1.226 O=C([O-])COc1cncc(c1)F 34a_100011830296_100020667443 [0,1,0,0,0,0|1,0,1]=3 2170 B12R1.226 O=C([O-])COc1cnnc(c1)Cl 34a_200010734679_100020667443 [0,1,0,0,0,0|2,0,1]=4 2171 B12R1.226 O=C([O-])CSc1cc(=O)cc[nH]1 62a_100009817434_100020667443 [0,1,0,0,0,0|1,1,1]=4 2172 B12R1.226 O=C([O-])CSc1cc(ccn1)Cl 62a_100010167805_100020667443 [0,1,0,0,0,0|1,1,1]=4 2173 B12R1.226 O=C([O-])CSc1cc(ccn1)Cl 62a_100020667443_100010167805 [0,1,0,0,0,0|1,1,1]=4 2174 B12R1.226 O=C([O-])CSc1cc(ccn1)F 62a_100000764206_100020667443 [0,1,0,0,0,0|1,1,1]=4 2175 B12R1.226 O=C([O-])CSc1cc(ccn1)F 62a_100020667443_100000764206 [0,1,0,0,0,0|1,1,1]=4 2176 B12R1.226 O=C([O-])CSc1cc(ccn1)O 62a_100020667443_100000762945 [0,1,0,0,0,0|1,1,1]=4 2177 B12R1.226 O=C([O-])CSc1cc[nH]c(=O)c1 62a_100009816521_100020667443 [0,1,0,0,0,0|1,1,1]=4 2178 B12R1.226 O=C([O-])CSc1cc[nH]c(=O)c1 62a_100020667443_100009816521 [0,1,0,0,0,0|1,1,1]=4 2179 B12R1.226 O=C([O-])CSc1ccc[n+](c1)[O-] 62a_100020667443_100009815978 [0,1,0,0,0,0|1,1,1]=4 2180 B12R1.226 O=C([O-])CSc1cccc(=O)[nH]1 62a_100020667443_100000752884 [0,1,0,0,0,0|1,1,1]=4 2181 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,1,0,0,0,0|0,1,1]=3 2182 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,1,0,0,0,0|0,1,1]=3 2183 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,1,0,0,0,0|0,1,1]=3 2184 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,1,0,0,0,0|0,1,1]=3 2185 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,1,0,0,0,0|0,1,1]=3 2186 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,1,0,0,0,0|0,1,1]=3 2187 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,1,0,0,0,0|0,1,1]=3 2188 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,1,0,0,0,0|0,1,1]=3 2189 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,1,0,0,0,0|0,1,1]=3 2190 B12R1.226 O=C([O-])CSc1cccc(n1)Br 62a_100000684672_100020667443 [0,1,0,0,0,0|1,1,1]=4 2191 B12R1.226 O=C([O-])CSc1cccc(n1)Br 62a_100020667443_100000684672 [0,1,0,0,0,0|1,1,1]=4 2192 B12R1.226 O=C([O-])CSc1cccc(n1)Cl 62a_100000051397_100020667443 [0,1,0,0,0,0|1,1,1]=4 2193 B12R1.226 O=C([O-])CSc1cccc(n1)Cl 62a_100020667443_100000051397 [0,1,0,0,0,0|1,1,1]=4 2194 B12R1.226 O=C([O-])CSc1cccc(n1)F 62a_100009815982_100020667443 [0,1,0,0,0,0|1,1,1]=4 2195 B12R1.226 O=C([O-])CSc1cccc(n1)F 62a_100020667443_100009815982 [0,1,0,0,0,0|1,1,1]=4 2196 B12R1.226 O=C([O-])CSc1ccnc(c1)Br 62a_100009814637_100020667443 [0,1,0,0,0,0|1,1,1]=4 2197 B12R1.226 O=C([O-])CSc1ccnc(c1)Br 62a_100020667443_100009814637 [0,1,0,0,0,0|1,1,1]=4 2198 B12R1.226 O=C([O-])CSc1ccnc(c1)Cl 62a_100000035001_100020667443 [0,1,0,0,0,0|1,1,1]=4 2199 B12R1.226 O=C([O-])CSc1ccnc(c1)Cl 62a_100020667443_100000035001 [0,1,0,0,0,0|1,1,1]=4 2200 B12R1.226 O=C([O-])CSc1ccnc(c1)F 62a_100009816116_100020667443 [0,1,0,0,0,0|1,1,1]=4 2201 B12R1.226 O=C([O-])CSc1ccnc(c1)F 62a_100020667443_100009816116 [0,1,0,0,0,0|1,1,1]=4 2202 B12R1.226 O=C([O-])CSc1cncc(c1)Br 62a_100000728054_100020667443 [0,1,0,0,0,0|1,1,1]=4 2203 B12R1.226 O=C([O-])CSc1cncc(c1)Br 62a_100020667443_100000728054 [0,1,0,0,0,0|1,1,1]=4 2204 B12R1.226 O=C([O-])CSc1cncc(c1)Cl 62a_100000049639_100020667443 [0,1,0,0,0,0|1,1,1]=4 2205 B12R1.226 O=C([O-])CSc1cncc(c1)Cl 62a_100020667443_100000049639 [0,1,0,0,0,0|1,1,1]=4 2206 B12R1.226 O=C([O-])CSc1cncc(c1)F 62a_100000744099_100020667443 [0,1,0,0,0,0|1,1,1]=4 2207 B12R1.226 O=C([O-])CSc1cncc(c1)F 62a_100020667443_100000744099 [0,1,0,0,0,0|1,1,1]=4 2208 B12R1.226 O=C([O-])CSc1cncc(c1)O 62a_100000754920_100020667443 [0,1,0,0,0,0|1,1,1]=4 2209 B12R1.226 O=C([O-])CSc1cncc(c1)O 62a_100020667443_100000754920 [0,1,0,0,0,0|1,1,1]=4 2210 B12R1.226 O=[N+]([O-])CNc1cccc(c1)Br 34a_100000210019_100000761209 [0,1,0,0,0,0|2,0,1]=4 2211 B12R1.226 O=[N+]([O-])CNc1cccc(c1)Cl 34a_100000185859_100000761209 [0,1,0,0,0,0|2,0,1]=4 2212 B12R1.226 O=[N+]([O-])CNc1cccc(c1)F 34a_100000210047_100000761209 [0,1,0,0,0,0|2,0,1]=4 2213 B12R1.226 O=[N+]([O-])CNc1cccc(c1)I 34a_100000211102_100000761209 [0,1,0,0,0,0|2,0,1]=4 2214 B12R1.226 O=[N+]([O-])CNc1cccc(c1)O 34a_100000210217_100000761209 [0,1,0,0,0,0|2,0,1]=4 2215 B12R1.226 O=[N+]([O-])COc1ccc[n+](c1)[O-] 34a_100000039713_100000761209 [0,1,0,0,0,0|2,0,1]=4 2216 B12R1.226 O=[N+]([O-])COc1cccc(c1)Br 34a_100000210342_100000761209 [0,1,0,0,0,0|1,0,1]=3 2217 B12R1.226 O=[N+]([O-])COc1cccc(c1)Cl 34a_100000210295_100000761209 [0,1,0,0,0,0|1,0,1]=3 2218 B12R1.226 O=[N+]([O-])COc1cccc(c1)F 34a_100000210426_100000761209 [0,1,0,0,0,0|1,0,1]=3 2219 B12R1.226 O=[N+]([O-])COc1cccc(c1)I 34a_100000211634_100000761209 [0,1,0,0,0,0|1,0,1]=3 2220 B12R1.226 O=[N+]([O-])COc1cccc(n1)F 34a_100011432558_100000761209 [0,1,0,0,0,0|2,0,1]=4 2221 B12R1.226 O=[N+]([O-])COc1ccnc(c1)Cl 34a_100000762945_100000761209 [0,1,0,0,0,0|2,0,1]=4 2222 B12R1.226 O=[N+]([O-])COc1ccnc(c1)F 34a_100000732698_100000761209 [0,1,0,0,0,0|2,0,1]=4 2223 B12R1.226 O=[N+]([O-])COc1cncc(c1)Br 34a_100000754920_100000761209 [0,1,0,0,0,0|2,0,1]=4 2224 B12R1.226 O=[N+]([O-])COc1cncc(c1)F 34a_100011830296_100000761209 [0,1,0,0,0,0|2,0,1]=4 2225 B12R1.226 O=[N+]([O-])CSc1cccc(c1)Br 62a_100000691529_100000761209 [0,1,0,0,0,0|1,1,1]=4 2226 B12R1.226 O=[N+]([O-])CSc1cccc(c1)Cl 62a_100000699651_100000761209 [0,1,0,0,0,0|1,1,1]=4 2227 B12R1.226 O=[N+]([O-])CSc1cccc(c1)F 62a_100000685547_100000761209 [0,1,0,0,0,0|1,1,1]=4 2228 B12R1.226 O=[N+]([O-])CSc1cccc(c1)[S] 62a_114929384022_100000761209 [0,1,0,0,0,0|1,1,1]=4 2229 B12R1.226 O=c1cc(cc[nH]1)OC[N+](=O)[O-] 34a_100000032262_100000761209 [0,1,0,0,0,0|2,0,1]=4 2230 B12R1.226 O=c1cccc([nH]1)OC[N+](=O)[O-] 34a_100000033347_100000761209 [0,1,0,0,0,0|2,0,1]=4 2231 B12R1.226 Oc1cccc(c1)OCC(F)F 271570a_203496583355_100000763112 [0,1,0,0,0,0|2,0,1]=4 2232 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Br 1458a_100012100324_200025704644 [0,1,0,0,0,0|2,0,1]=4 2233 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)Cl 1458a_100011892777_200025704644 [0,1,0,0,0,0|2,0,1]=4 2234 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)F 1458a_100011892744_200025704644 [0,1,0,0,0,0|2,0,1]=4 2235 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)O 1458a_200009909484_200025704644 [0,1,0,0,0,0|2,0,1]=4 2236 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Br 1458a_100016258244_200025704644 [0,1,0,0,0,0|2,0,1]=4 2237 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_200025704644 [0,1,0,0,0,0|2,0,1]=4 2238 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)F 1458a_100000718793_200025704644 [0,1,0,0,0,0|2,0,1]=4 2239 B12R1.226 [13CH3]C(=O)C=Cc1cccc(c1)I 1458a_100020647043_200025704644 [0,1,0,0,0,0|2,0,1]=4 2240 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [0,1,0,0,0,0|2,0,0]=3 2241 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [0,1,0,0,0,0|2,0,0]=3 2242 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [0,1,0,0,0,0|2,0,0]=3 2243 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [0,1,0,0,0,0|2,0,0]=3 2244 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [0,1,0,0,0,0|2,0,0]=3 2245 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [0,1,0,0,0,0|1,0,0]=2 2246 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,1,0,0,0,0|1,0,0]=2 2247 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [0,1,0,0,0,0|1,0,0]=2 2248 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,1,0,0,0,0|1,1,0]=3 2249 B12R1.891 CC(C)(C)COc1ccccc1 34a_100000210340_100011219605 [0,1,0,0,0,0|2,0,1]=4 2250 B12R1.891 CC(C)(F)COc1ccccc1 34a_100000210340_100011997219 [0,1,0,0,0,0|2,0,1]=4 2251 B12R1.891 CC(C)(O)CNc1ccccc1 34a_100000106764_100000764493 [0,1,0,0,0,0|2,0,1]=4 2252 B12R1.891 CC(C)(O)COc1ccccc1 34a_100000210340_100000764493 [0,1,0,0,0,0|1,0,1]=3 2253 B12R1.891 CC(C)(O)COc1ccccc1 7a_100000210340_100000764493 [0,1,0,0,0,0|1,0,1]=3 2254 B12R1.891 CC(C)(O)COc1cccnc1 34a_100000210849_100000764493 [0,1,0,0,0,0|2,0,1]=4 2255 B12R1.891 CC(C)(O)COc1cccnc1 7a_100000210849_100000764493 [0,1,0,0,0,0|2,0,1]=4 2256 B12R1.891 CC(C)(O)COc1ccncc1 34a_100000212176_100000764493 [0,1,0,0,0,0|2,0,1]=4 2257 B12R1.891 CC(C)(O)CSc1ccccc1 62a_100000719477_100000764493 [0,1,0,0,0,0|1,1,1]=4 2258 B12R1.891 CC(C)(O)CSc1ccccc1 62a_100000764493_100000041952 [0,1,0,0,0,0|1,1,1]=4 2259 B12R1.891 C[Si](C)(C)COc1ccccc1 7a_100000210340_100000233785 [0,1,0,0,0,0|2,1,0]=4 2260 B12R1.891 NS(=O)(=O)CSc1ccccc1 62a_100000719477_100000741382 [0,1,0,0,0,0|1,1,1]=4 2261 B12R1.891 NS(=O)(=O)CSc1ccccc1 62a_100000741382_100000041952 [0,1,0,0,0,0|1,1,1]=4 2262 B12R1.891 O=S(=O)([O-])CNc1ccccc1 34a_100000106764_100009817235 [0,1,0,0,0,0|2,0,1]=4 2263 B12R1.891 O=S(=O)([O-])COc1ccccc1 34a_100000210340_100009817235 [0,1,0,0,0,0|1,0,1]=3 2264 B12R1.891 O=S(=O)([O-])COc1cccnc1 34a_100000210849_100009817235 [0,1,0,0,0,0|2,0,1]=4 2265 B12R1.891 O=S(=O)([O-])COc1ccncc1 34a_100000212176_100009817235 [0,1,0,0,0,0|2,0,1]=4 2266 B12R1.891 O=S(=O)([O-])CSc1ccccc1 62a_100000719477_100009817235 [0,1,0,0,0,0|1,1,1]=4 2267 B12R1.891 O=S(=O)([O-])CSc1ccccc1 62a_100009817235_100000041952 [0,1,0,0,0,0|1,1,1]=4 2268 B10R0.4 C/C=C/C=C/COCC(=O)N 34a_100016283227_100000187820 [0,0,1,0,0,0|1,0,2]=4 2269 B10R0.4 C/C=C/C=C/COCC(=O)[O-] 34a_100016283227_100020667443 [0,0,1,0,0,0|0,0,3]=4 2270 B10R0.27 C=CCC(C=C)OCC(=O)N 34a_100000038011_100000187820 [0,0,1,0,0,0|1,0,2]=4 2271 B10R0.27 C=CCC(C=C)OCC(=O)N 7a_100000038011_100000187820 [0,0,1,0,0,0|1,0,2]=4 2272 B10R0.27 C=CCC(C=C)OCC(=O)[O-] 34a_100000038011_100020667443 [0,0,1,0,0,0|0,0,3]=4 2273 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [0,0,0,1,0,0|3,0,0]=4 2274 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [0,0,0,1,0,0|2,0,1]=4 2275 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [0,0,0,1,0,0|2,0,1]=4 2276 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [0,0,0,1,0,0|2,0,1]=4 2277 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [0,0,0,1,0,0|2,0,1]=4 2278 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [0,0,0,1,0,0|3,0,0]=4 2279 B12R2.2057 c1cc(ccn1)OCC2CO2 34a_100000212176_102125554688 [0,0,0,1,0,0|2,0,1]=4 2280 B12R2.2057 c1ccc(cc1)NCC2CO2 34a_100000106764_102125554688 [0,0,0,1,0,0|2,0,1]=4 2281 B12R2.2057 c1ccc(cc1)OCC2CC2 34a_100000210340_100000742324 [0,0,0,1,0,0|2,0,1]=4 2282 B12R2.2057 c1ccc(cc1)OCC2CC2 7a_100000210340_100000742324 [0,0,0,1,0,0|2,0,1]=4 2283 B12R2.2057 c1ccc(cc1)OCC2CO2 34a_100000210340_102125554688 [0,0,0,1,0,0|1,0,1]=3 2284 B12R2.2057 c1ccc(cc1)OCC2CO2 7a_100000210340_102125554688 [0,0,0,1,0,0|1,0,1]=3 2285 B12R2.2057 c1ccc(cc1)OCC2CS2 7a_100000210340_100000031435 [0,0,0,1,0,0|1,1,1]=4 2286 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 7a_100000210340_100000745022 [0,0,0,1,0,0|1,0,1]=3 2287 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_100000719477_102125554688 [0,0,0,1,0,0|1,1,1]=4 2288 B12R2.2057 c1ccc(cc1)SCC2CO2 62a_102125554688_100000041952 [0,0,0,1,0,0|1,1,1]=4 2289 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000719477_100000745022 [0,0,0,1,0,0|1,1,1]=4 2290 B12R2.2057 c1ccc(cc1)SC[C@@H]2CO2 62a_100000745022_100000041952 [0,0,0,1,0,0|1,1,1]=4 2291 B12R2.2057 c1cncc(c1)OCC2CO2 34a_100000210849_102125554688 [0,0,0,1,0,0|2,0,1]=4 2292 B12R2.2057 c1cncc(c1)OCC2CO2 7a_100000210849_102125554688 [0,0,0,1,0,0|2,0,1]=4 2293 B12R2.2057 c1cncc(c1)OC[C@@H]2CO2 7a_100000210849_100000745022 [0,0,0,1,0,0|2,0,1]=4 2294 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,0|2,0,0]=3 2295 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,0|2,0,0]=3 2296 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,0,0,1,0|2,0,1]=4 2297 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,1,0|2,0,0]=3 2298 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,1,0|1,0,0]=2 2299 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,1,0|2,0,0]=3 2300 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,1,0|2,0,0]=3 2301 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,1,0|2,0,0]=3 2302 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,1,0|2,0,0]=3 2303 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,0,0,0,1,0|3,0,0]=4 2304 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,1,0|2,0,0]=3 2305 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,0,0,0,1,0|3,0,0]=4 2306 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [0,0,0,0,1,0|3,0,0]=4 2307 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [0,0,0,0,1,0|3,0,0]=4 2308 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,0,0,0,1,0|3,0,0]=4 2309 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,1,0|2,0,0]=3 2310 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,1,0|2,0,0]=3 2311 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,1,0|2,0,0]=3 2312 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,1,0|2,0,0]=3 2313 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [0,0,0,0,1,0|2,0,1]=4 2314 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [0,0,0,0,1,0|2,0,1]=4 2315 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [0,0,0,0,1,0|3,0,0]=4 2316 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [0,0,0,0,1,0|3,0,0]=4 2317 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [0,0,0,0,1,0|3,0,0]=4 2318 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [0,0,0,0,1,0|3,0,0]=4 2319 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [0,0,0,0,1,0|3,0,0]=4 2320 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [0,0,0,0,1,0|3,0,0]=4 2321 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [0,0,0,0,1,0|3,0,0]=4 2322 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,1,0|2,0,0]=3 2323 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,1,0|2,0,0]=3 2324 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,1,0|2,0,0]=3 2325 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [0,0,0,0,1,0|3,0,0]=4 2326 B10R1.66 C=C(C)COc1ccsc1 34a_100000106738_100000748629 [0,0,0,0,1,0|3,0,0]=4 2327 B10R1.66 C=C(C)COc1ccsc1 7a_100000106738_100000748629 [0,0,0,0,1,0|3,0,0]=4 2328 B10R1.66 C=C(F)COc1ccsc1 34a_100000106738_100009893438 [0,0,0,0,1,0|3,0,0]=4 2329 B10R1.66 C=C(F)COc1ccsc1 7a_100000106738_100000042424 [0,0,0,0,1,0|3,0,0]=4 2330 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,0,1,0|3,0,0]=4 2331 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,1,0|3,0,0]=4 2332 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,1,0|3,0,0]=4 2333 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,1,0|3,0,0]=4 2334 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,1,0|3,0,0]=4 2335 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,0,1,0|3,0,0]=4 2336 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,0,0,0,1,0|3,0,0]=4 2337 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,0,0,0,1,0|3,0,0]=4 2338 B10R1.66 CC(O)COc1ccsc1 34a_100000106738_100011218427 [0,0,0,0,1,0|2,0,1]=4 2339 B10R1.66 CC(O)COc1ccsc1 7a_100000106738_100011218427 [0,0,0,0,1,0|2,0,1]=4 2340 B10R1.66 C[C@@H](O)COc1ccsc1 34a_100000106738_100009817552 [0,0,0,0,1,0|2,0,1]=4 2341 B10R1.66 C[C@@H](O)COc1ccsc1 7a_100000106738_100009817552 [0,0,0,0,1,0|2,0,1]=4 2342 B10R1.66 NC(=O)COc1ccsc1 34a_100000106738_100000187820 [0,0,0,0,1,0|2,0,0]=3 2343 B10R1.66 NC(=O)COc1ccsc1 7a_100000106738_100000187820 [0,0,0,0,1,0|2,0,0]=3 2344 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [0,0,0,0,1,0|2,1,0]=4 2345 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [0,0,0,0,1,0|2,1,0]=4 2346 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [0,0,0,0,1,0|2,1,0]=4 2347 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [0,0,0,0,1,0|2,1,0]=4 2348 B10R1.66 NC(=O)CSc1ccoc1 62a_100000747473_100011215275 [0,0,0,0,1,0|2,1,0]=4 2349 B10R1.66 NC(=O)CSc1ccoc1 62a_100011215275_100000747473 [0,0,0,0,1,0|2,1,0]=4 2350 B10R1.66 NC(=O)CSc1ccsc1 62a_100000738268_100000747473 [0,0,0,0,1,0|2,1,0]=4 2351 B10R1.66 NC(=O)CSc1ccsc1 62a_100000747473_100000738268 [0,0,0,0,1,0|2,1,0]=4 2352 B10R1.66 O=C([O-])COc1ccsc1 34a_100000106738_100020667443 [0,0,0,0,1,0|1,0,1]=3 2353 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [0,0,0,0,1,0|1,1,1]=4 2354 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [0,0,0,0,1,0|1,1,1]=4 2355 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [0,0,0,0,1,0|1,1,1]=4 2356 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [0,0,0,0,1,0|1,1,1]=4 2357 B10R1.66 O=C([O-])CSc1ccoc1 62a_100011215275_100020667443 [0,0,0,0,1,0|1,1,1]=4 2358 B10R1.66 O=C([O-])CSc1ccoc1 62a_100020667443_100011215275 [0,0,0,0,1,0|1,1,1]=4 2359 B10R1.66 O=C([O-])CSc1ccsc1 62a_100000738268_100020667443 [0,0,0,0,1,0|1,1,1]=4 2360 B10R1.66 O=C([O-])CSc1ccsc1 62a_100020667443_100000738268 [0,0,0,0,1,0|1,1,1]=4 2361 B10R1.66 O=[N+]([O-])COc1ccsc1 34a_100000106738_100000761209 [0,0,0,0,1,0|2,0,1]=4 2362 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,0,1,0|3,0,0]=4 2363 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,1,0|3,0,0]=4 2364 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,1,0|3,0,0]=4 2365 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,1,0|3,0,0]=4 2366 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,0,1,0|3,0,0]=4 2367 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,0,0,0,1,0|3,0,0]=4 2368 B12R1.252 C=C(C)CCNc1ccccc1 34a_100000106764_100000730704 [0,0,0,0,0,1|3,0,0]=4 2369 B12R1.252 C=C(C)CCOc1ccccc1 34a_100000210340_100000730704 [0,0,0,0,0,1|2,0,0]=3 2370 B12R1.252 C=C(C)CCOc1ccccc1 7a_100000210340_100000730704 [0,0,0,0,0,1|2,0,0]=3 2371 B12R1.252 C=C(C)CCOc1cccnc1 34a_100000210849_100000730704 [0,0,0,0,0,1|3,0,0]=4 2372 B12R1.252 C=C(C)CCOc1cccnc1 7a_100000210849_100000730704 [0,0,0,0,0,1|3,0,0]=4 2373 B12R1.252 C=C(C)CCOc1ccncc1 34a_100000212176_100000730704 [0,0,0,0,0,1|3,0,0]=4 2374 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000719477_100000730704 [0,0,0,0,0,1|2,1,0]=4 2375 B12R1.252 C=C(C)CCSc1ccccc1 62a_100000730704_100000041952 [0,0,0,0,0,1|2,1,0]=4 2376 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,0,0,0,0,1|3,0,0]=4 2377 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,0,0,0,0,1|3,0,0]=4 2378 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210245_100015291786 [0,0,0,0,0,1|2,0,0]=3 2379 B12R1.252 C=C(C)COCc1ccccc1 34a_100000210790_100000748629 [0,0,0,0,0,1|2,0,0]=3 2380 B12R1.252 C=C(C)COCc1ccccc1 7a_100000210790_100000748629 [0,0,0,0,0,1|2,0,0]=3 2381 B12R1.252 C=C(C)COCc1ccccn1 34a_100000210245_100000721315 [0,0,0,0,0,1|3,0,0]=4 2382 B12R1.252 C=C(C)COCc1cccnc1 34a_100000210245_100000733263 [0,0,0,0,0,1|3,0,0]=4 2383 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000211182_100000211660 [0,0,0,0,0,1|2,1,0]=4 2384 B12R1.252 C=C(C)CSCc1ccccc1 62a_100000748629_100015291786 [0,0,0,0,0,1|2,1,0]=4 2385 B12R1.252 C=C(F)CNCc1ccccc1 2230a_100015324214_100009893438 [0,0,0,0,0,1|3,0,0]=4 2386 B12R1.252 C=C(F)CNCc1ccccc1 34a_100015324214_100009893438 [0,0,0,0,0,1|3,0,0]=4 2387 B12R1.252 C=C(F)COCc1ccccc1 34a_100000210790_100009893438 [0,0,0,0,0,1|2,0,0]=3 2388 B12R1.252 C=C(F)COCc1ccccc1 34a_200010262243_100015291786 [0,0,0,0,0,1|2,0,0]=3 2389 B12R1.252 C=C(F)COCc1ccccc1 7a_100000210790_100000042424 [0,0,0,0,0,1|2,0,0]=3 2390 B12R1.252 C=C(F)COCc1ccccn1 34a_200010262243_100000721315 [0,0,0,0,0,1|3,0,0]=4 2391 B12R1.252 C=C(F)COCc1cccnc1 34a_200010262243_100000733263 [0,0,0,0,0,1|3,0,0]=4 2392 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000042424_100015291786 [0,0,0,0,0,1|2,1,0]=4 2393 B12R1.252 C=C(F)CSCc1ccccc1 62a_100000211182_100000042424 [0,0,0,0,0,1|2,1,0]=4 2394 B12R1.252 CC(=CCNc1ccccc1)C 34a_100000106764_100000761012 [0,0,0,0,0,1|3,0,0]=4 2395 B12R1.252 CC(=CCOc1ccccc1)C 34a_100000210340_100000761012 [0,0,0,0,0,1|2,0,0]=3 2396 B12R1.252 CC(=CCOc1ccccc1)C 7a_100000210340_100000761012 [0,0,0,0,0,1|2,0,0]=3 2397 B12R1.252 CC(=CCOc1cccnc1)C 34a_100000210849_100000761012 [0,0,0,0,0,1|3,0,0]=4 2398 B12R1.252 CC(=CCOc1cccnc1)C 7a_100000210849_100000761012 [0,0,0,0,0,1|3,0,0]=4 2399 B12R1.252 CC(=CCOc1ccncc1)C 34a_100000212176_100000761012 [0,0,0,0,0,1|3,0,0]=4 2400 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000719477_100000761012 [0,0,0,0,0,1|2,1,0]=4 2401 B12R1.252 CC(=CCSc1ccccc1)C 62a_100000761012_100000041952 [0,0,0,0,0,1|2,1,0]=4 2402 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100000070787_100016265936 [0,0,0,0,0,1|2,0,0]=3 2403 B12R1.252 CC(=O)C/C=C/c1ccccc1 1458a_100011219626_200000210301 [0,0,0,0,0,1|2,0,0]=3 2404 B12R1.252 CC(=O)C=CSc1ccccc1 1458a_100016262050_200000210301 [0,0,0,0,0,1|1,1,1]=4 2405 B12R1.252 CC(=O)CC#Cc1ccccc1 1458a_100000070787_100011352542 [0,0,0,0,0,1|2,0,0]=3 2406 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100000070787_100000211621 [0,0,0,0,0,1|2,0,0]=3 2407 B12R1.252 CC(=O)CCCc1ccccc1 1458a_100011207963_200000210301 [0,0,0,0,0,1|2,0,0]=3 2408 B12R1.252 CC(=O)CCCc1ccccn1 1458a_100000752327_200000210301 [0,0,0,0,0,1|3,0,0]=4 2409 B12R1.252 CC(=O)CCCc1ccncc1 1458a_100020654287_200000210301 [0,0,0,0,0,1|3,0,0]=4 2410 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000070787_100000184471 [0,0,0,0,0,1|1,0,0]=2 2411 B12R1.252 CC(=O)CCOc1ccccc1 1458a_100000182761_200000210301 [0,0,0,0,0,1|1,0,0]=2 2412 B12R1.252 CC(=O)CCOc1ccccc1 7a_100000210340_100000053229 [0,0,0,0,0,1|1,0,0]=2 2413 B12R1.252 CC(=O)CCOc1cccnc1 7a_100000210849_100000053229 [0,0,0,0,0,1|2,0,0]=3 2414 B12R1.252 CC(=O)CCOc1cncnc1 7a_100000754086_100000053229 [0,0,0,0,0,1|3,0,0]=4 2415 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000070787_100000246102 [0,0,0,0,0,1|1,1,0]=3 2416 B12R1.252 CC(=O)CCSc1ccccc1 1458a_100000182436_200000210301 [0,0,0,0,0,1|1,1,0]=3 2417 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000053229_100000041952 [0,0,0,0,0,1|1,1,0]=3 2418 B12R1.252 CC(=O)CCSc1ccccc1 62a_100000719477_100000053229 [0,0,0,0,0,1|1,1,0]=3 2419 B12R1.252 CC(=O)CCSc1ccccn1 62a_100000053229_100011216584 [0,0,0,0,0,1|2,1,0]=4 2420 B12R1.252 CC(=O)CCSc1ccccn1 62a_100011216584_100000053229 [0,0,0,0,0,1|2,1,0]=4 2421 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000053229_100000210063 [0,0,0,0,0,1|2,1,0]=4 2422 B12R1.252 CC(=O)CCSc1cccnc1 62a_100000210063_100000053229 [0,0,0,0,0,1|2,1,0]=4 2423 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000053229_100000728582 [0,0,0,0,0,1|2,1,0]=4 2424 B12R1.252 CC(=O)CCSc1ccncc1 62a_100000728582_100000053229 [0,0,0,0,0,1|2,1,0]=4 2425 B12R1.252 CC(=O)COCc1ccccc1 1458a_100000230186_200000210301 [0,0,0,0,0,1|1,0,0]=2 2426 B12R1.252 CC(=O)COCc1ccccc1 34a_100000211253_100015291786 [0,0,0,0,0,1|1,0,0]=2 2427 B12R1.252 CC(=O)COCc1ccccn1 34a_100000211253_100000721315 [0,0,0,0,0,1|2,0,0]=3 2428 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,0,0,0,0,1|2,0,0]=3 2429 B12R1.252 CC(=O)COCc1cccnn1 34a_100000211253_100016990269 [0,0,0,0,0,1|3,0,0]=4 2430 B12R1.252 CC(=O)COCc1cnccn1 34a_100000211253_100016995436 [0,0,0,0,0,1|3,0,0]=4 2431 B12R1.252 CC(=O)COCc1cncnc1 34a_100000211253_100015196519 [0,0,0,0,0,1|3,0,0]=4 2432 B12R1.252 CC(=O)COCc1ncccn1 34a_100000211253_100000703007 [0,0,0,0,0,1|3,0,0]=4 2433 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000070787_200011217039 [0,0,0,0,0,1|1,1,0]=3 2434 B12R1.252 CC(=O)CSCc1ccccc1 1458a_100000150264_200000210301 [0,0,0,0,0,1|1,1,0]=3 2435 B12R1.252 CC(=O)CSCc1ccccn1 1458a_100000742634_200000210301 [0,0,0,0,0,1|2,1,0]=4 2436 B12R1.252 CC(=O)NCCc1ccccc1 11a_100000106460_100015343762 [0,0,0,0,0,1|2,0,0]=3 2437 B12R1.252 CC(=O)NCCc1ccccc1 1626a_100000106460_100015343762 [0,0,0,0,0,1|2,0,0]=3 2438 B12R1.252 CC(=O)NCCc1ccccc1 240690a_100000106460_100015343762 [0,0,0,0,0,1|2,0,0]=3 2439 B12R1.252 CC(=O)NCCc1ccccc1 527a_100000106460_100103153847 [0,0,0,0,0,1|2,0,0]=3 2440 B12R1.252 CC(=O)NCCc1ccccn1 11a_100000211156_100015343762 [0,0,0,0,0,1|3,0,0]=4 2441 B12R1.252 CC(=O)NCCc1ccccn1 1626a_100000211156_100015343762 [0,0,0,0,0,1|3,0,0]=4 2442 B12R1.252 CC(=O)NCCc1ccccn1 240690a_100000211156_100015343762 [0,0,0,0,0,1|3,0,0]=4 2443 B12R1.252 CC(=O)NCCc1ccccn1 527a_100000211156_100103153847 [0,0,0,0,0,1|3,0,0]=4 2444 B12R1.252 CC(=O)NCCc1cccnc1 11a_100000736294_100015343762 [0,0,0,0,0,1|3,0,0]=4 2445 B12R1.252 CC(=O)NCCc1cccnc1 1626a_100000736294_100015343762 [0,0,0,0,0,1|3,0,0]=4 2446 B12R1.252 CC(=O)NCCc1cccnc1 240690a_100000736294_100015343762 [0,0,0,0,0,1|3,0,0]=4 2447 B12R1.252 CC(=O)NCCc1cccnc1 527a_100000736294_100103153847 [0,0,0,0,0,1|3,0,0]=4 2448 B12R1.252 CC(=O)NCCc1ccncc1 11a_100000742849_100015343762 [0,0,0,0,0,1|3,0,0]=4 2449 B12R1.252 CC(=O)NCCc1ccncc1 1626a_100000742849_100015343762 [0,0,0,0,0,1|3,0,0]=4 2450 B12R1.252 CC(=O)NCCc1ccncc1 240690a_100000742849_100015343762 [0,0,0,0,0,1|3,0,0]=4 2451 B12R1.252 CC(=O)NCCc1ccncc1 527a_100000742849_100103153847 [0,0,0,0,0,1|3,0,0]=4 2452 B12R1.252 CC(=O)NN=Cc1ccccc1 4a_100000189765_100015611070 [0,0,0,0,0,1|3,0,0]=4 2453 B12R1.252 CC(=O)NNCc1ccccc1 22a_100000007032_100000070787 [0,0,0,0,0,1|3,0,0]=4 2454 B12R1.252 CC(=O)OCNc1ccccc1 34a_100000106764_100009813279 [0,0,0,0,0,1|2,0,0]=3 2455 B12R1.252 CC(=O)OCOc1ccccc1 34a_100000210340_100009813279 [0,0,0,0,0,1|1,0,0]=2 2456 B12R1.252 CC(=O)OCOc1cccnc1 34a_100000210849_100009813279 [0,0,0,0,0,1|2,0,0]=3 2457 B12R1.252 CC(=O)OCOc1ccncc1 34a_100000212176_100009813279 [0,0,0,0,0,1|2,0,0]=3 2458 B12R1.252 CC(=O)OCOc1ccnnc1 34a_100015204005_100009813279 [0,0,0,0,0,1|3,0,0]=4 2459 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000076356_100000041952 [0,0,0,0,0,1|1,1,0]=3 2460 B12R1.252 CC(=O)OCSc1ccccc1 62a_100000719477_100000076356 [0,0,0,0,0,1|1,1,0]=3 2461 B12R1.252 CC(=O)OCSc1ccccn1 62a_100000076356_100011216584 [0,0,0,0,0,1|2,1,0]=4 2462 B12R1.252 CC(=O)OCSc1ccccn1 62a_100011216584_100000076356 [0,0,0,0,0,1|2,1,0]=4 2463 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000076356_100000210063 [0,0,0,0,0,1|2,1,0]=4 2464 B12R1.252 CC(=O)OCSc1cccnc1 62a_100000210063_100000076356 [0,0,0,0,0,1|2,1,0]=4 2465 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000076356_100000728582 [0,0,0,0,0,1|2,1,0]=4 2466 B12R1.252 CC(=O)OCSc1ccncc1 62a_100000728582_100000076356 [0,0,0,0,0,1|2,1,0]=4 2467 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,0,0,0,0,1|2,0,1]=4 2468 B12R1.252 CC(C)CCOc1ccccc1 34a_100000210340_100000210312 [0,0,0,0,0,1|2,0,1]=4 2469 B12R1.252 CC(C)CCOc1ccccc1 7a_100000210340_100000210626 [0,0,0,0,0,1|2,0,1]=4 2470 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,0,0,0,0,1|2,0,1]=4 2471 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,0,0,0,0,1|2,0,1]=4 2472 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,0,0,0,0,1|2,0,1]=4 2473 B12R1.252 CC(C)OCOc1ccccc1 34a_100000210340_100000709892 [0,0,0,0,0,1|2,0,1]=4 2474 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,0,0,0,0,1|2,0,1]=4 2475 B12R1.252 CC(O)CCNc1ccccc1 34a_100000106764_100012276601 [0,0,0,0,0,1|2,0,1]=4 2476 B12R1.252 CC(O)CCOc1ccccc1 34a_100000210340_100012276601 [0,0,0,0,0,1|1,0,1]=3 2477 B12R1.252 CC(O)CCOc1ccccc1 7a_100000210340_100012276601 [0,0,0,0,0,1|1,0,1]=3 2478 B12R1.252 CC(O)CCOc1cccnc1 34a_100000210849_100012276601 [0,0,0,0,0,1|2,0,1]=4 2479 B12R1.252 CC(O)CCOc1cccnc1 7a_100000210849_100012276601 [0,0,0,0,0,1|2,0,1]=4 2480 B12R1.252 CC(O)CCOc1ccncc1 34a_100000212176_100012276601 [0,0,0,0,0,1|2,0,1]=4 2481 B12R1.252 CC(O)CCSc1ccccc1 62a_100000719477_100012276601 [0,0,0,0,0,1|1,1,1]=4 2482 B12R1.252 CC(O)CCSc1ccccc1 62a_100012276601_100000041952 [0,0,0,0,0,1|1,1,1]=4 2483 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,0,0,0,0,1|2,0,1]=4 2484 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,0,0,0,0,1|2,0,1]=4 2485 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,0,0,0,0,1|2,0,1]=4 2486 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,0,0,0,0,1|2,0,1]=4 2487 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,0,0,0,0,1|2,0,1]=4 2488 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,0,0,0,0,1|2,0,1]=4 2489 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,0,0,0,0,1|1,0,1]=3 2490 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,0,0,0,0,1|1,0,1]=3 2491 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,0,0,0,0,1|1,1,1]=4 2492 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,0,0,0,0,1|1,1,1]=4 2493 B12R1.252 CN(C)CCOc1ccccc1 2230a_100000184383_200000210301 [0,0,0,0,0,1|3,0,0]=4 2494 B12R1.252 CN(C)CCOc1ccccc1 2230a_100102631434_100000184471 [0,0,0,0,0,1|3,0,0]=4 2495 B12R1.252 CN(C)CCOc1ccccc1 269982a_100000184383_200000210301 [0,0,0,0,0,1|3,0,0]=4 2496 B12R1.252 CN(C)CCOc1ccccc1 269982a_100102631434_100000184471 [0,0,0,0,0,1|3,0,0]=4 2497 B12R1.252 CN(C)CCOc1ccccc1 270004a_100102631434_100000758736 [0,0,0,0,0,1|3,0,0]=4 2498 B12R1.252 CN(C)CCOc1ccccc1 7a_100000210340_100000755713 [0,0,0,0,0,1|3,0,0]=4 2499 B12R1.252 CN(C)COCc1ccccc1 2230a_100102631434_100000763385 [0,0,0,0,0,1|3,0,0]=4 2500 B12R1.252 CN([13CH3])CCOc1ccccc1 2230a_100000184383_200025704644 [0,0,0,0,0,1|3,0,0]=4 2501 B12R1.252 CN([13CH3])CCOc1ccccc1 269982a_100000184383_200025704644 [0,0,0,0,0,1|3,0,0]=4 2502 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,0,0,0,0,1|2,0,1]=4 2503 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,0,0,0,0,1|2,0,1]=4 2504 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,0,0,0,0,1|2,0,1]=4 2505 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,0,0,0,0,1|2,0,1]=4 2506 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,0,0,0,0,1|1,0,1]=3 2507 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,0,0,0,0,1|1,0,1]=3 2508 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,0,0,0,0,1|1,1,1]=4 2509 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,0,0,0,0,1|1,1,1]=4 2510 B12R1.252 FC(F)COCc1ccccc1 34a_100000210790_100011934356 [0,0,0,0,0,1|2,0,1]=4 2511 B12R1.252 FC(F)COCc1ccccc1 34a_100000743014_100015291786 [0,0,0,0,0,1|2,0,1]=4 2512 B12R1.252 FC(F)COCc1ccccc1 7a_100000210790_100011934356 [0,0,0,0,0,1|2,0,1]=4 2513 B12R1.252 NC(=O)CCNc1ccccc1 34a_100000106764_100000731001 [0,0,0,0,0,1|2,0,0]=3 2514 B12R1.252 NC(=O)CCOc1ccccc1 34a_100000210340_100000731001 [0,0,0,0,0,1|1,0,0]=2 2515 B12R1.252 NC(=O)CCOc1ccccc1 7a_100000210340_100000744528 [0,0,0,0,0,1|1,0,0]=2 2516 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [0,0,0,0,0,1|2,0,0]=3 2517 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [0,0,0,0,0,1|2,0,0]=3 2518 B12R1.252 NC(=O)CCOc1ccncc1 34a_100000212176_100000731001 [0,0,0,0,0,1|2,0,0]=3 2519 B12R1.252 NC(=O)CCOc1ccnnc1 34a_100015204005_100000731001 [0,0,0,0,0,1|3,0,0]=4 2520 B12R1.252 NC(=O)CCOc1cncnc1 7a_100000754086_100000744528 [0,0,0,0,0,1|3,0,0]=4 2521 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000719477_100000744528 [0,0,0,0,0,1|1,1,0]=3 2522 B12R1.252 NC(=O)CCSc1ccccc1 62a_100000744528_100000041952 [0,0,0,0,0,1|1,1,0]=3 2523 B12R1.252 NC(=O)CCSc1ccccn1 62a_100000744528_100011216584 [0,0,0,0,0,1|2,1,0]=4 2524 B12R1.252 NC(=O)CCSc1ccccn1 62a_100011216584_100000744528 [0,0,0,0,0,1|2,1,0]=4 2525 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000210063_100000744528 [0,0,0,0,0,1|2,1,0]=4 2526 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000744528_100000210063 [0,0,0,0,0,1|2,1,0]=4 2527 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000728582_100000744528 [0,0,0,0,0,1|2,1,0]=4 2528 B12R1.252 NC(=O)CCSc1ccncc1 62a_100000744528_100000728582 [0,0,0,0,0,1|2,1,0]=4 2529 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100000711301_100015291786 [0,0,0,0,0,1|2,0,0]=3 2530 B12R1.252 NC(=O)CNCc1ccccc1 2230a_100015324214_100000747473 [0,0,0,0,0,1|2,0,0]=3 2531 B12R1.252 NC(=O)CNCc1ccccc1 34a_100015324214_100000187820 [0,0,0,0,0,1|2,0,0]=3 2532 B12R1.252 NC(=O)CNCc1ccccn1 2230a_100000711301_100000721315 [0,0,0,0,0,1|3,0,0]=4 2533 B12R1.252 NC(=O)CNCc1cccnc1 2230a_100000711301_100000741622 [0,0,0,0,0,1|3,0,0]=4 2534 B12R1.252 NC(=O)CNCc1ccncc1 2230a_100000711301_100015193705 [0,0,0,0,0,1|3,0,0]=4 2535 B12R1.252 NC(=O)COCc1ccccc1 34a_100000210790_100000187820 [0,0,0,0,0,1|1,0,0]=2 2536 B12R1.252 NC(=O)COCc1ccccc1 7a_100000210790_100000187820 [0,0,0,0,0,1|1,0,0]=2 2537 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000211182_100000747473 [0,0,0,0,0,1|1,1,0]=3 2538 B12R1.252 NC(=O)CSCc1ccccc1 62a_100000747473_100015291786 [0,0,0,0,0,1|1,1,0]=3 2539 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000721315_100000747473 [0,0,0,0,0,1|2,1,0]=4 2540 B12R1.252 NC(=O)CSCc1ccccn1 62a_100000747473_100000721315 [0,0,0,0,0,1|2,1,0]=4 2541 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [0,0,0,0,0,1|2,1,0]=4 2542 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [0,0,0,0,0,1|2,1,0]=4 2543 B12R1.252 NC(=O)CSCc1ccncc1 62a_100000747473_100015193705 [0,0,0,0,0,1|2,1,0]=4 2544 B12R1.252 NC(=O)CSCc1ccncc1 62a_100015193705_100000747473 [0,0,0,0,0,1|2,1,0]=4 2545 B12R1.252 O=C(O)CNCc1ccccc1 269956a_100016091260_100015291786 [0,0,0,0,0,1|1,0,0]=2 2546 B12R1.252 O=C(O)CNCc1ccccn1 269956a_100016091260_100000721315 [0,0,0,0,0,1|2,0,0]=3 2547 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [0,0,0,0,0,1|2,0,0]=3 2548 B12R1.252 O=C(O)CNCc1cccnn1 269956a_100016091260_100016990269 [0,0,0,0,0,1|3,0,0]=4 2549 B12R1.252 O=C(O)CNCc1ccncc1 269956a_100016091260_100015193705 [0,0,0,0,0,1|2,0,0]=3 2550 B12R1.252 O=C(O)CNCc1cnccn1 269956a_100016091260_100016995436 [0,0,0,0,0,1|3,0,0]=4 2551 B12R1.252 O=C(O)CNCc1cncnc1 269956a_100016091260_100016991940 [0,0,0,0,0,1|3,0,0]=4 2552 B12R1.252 O=C(O)CNCc1ncccn1 269956a_100016091260_100000703007 [0,0,0,0,0,1|3,0,0]=4 2553 B12R1.252 O=C([O-])CNCc1ccccc1 34a_100015324214_100020667443 [0,0,0,0,0,1|1,0,1]=3 2554 B12R1.252 O=C([O-])COCc1ccccc1 34a_100000210790_100020667443 [0,0,0,0,0,1|0,0,1]=2 2555 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100000211182_100020667443 [0,0,0,0,0,1|0,1,1]=3 2556 B12R1.252 O=C([O-])CSCc1ccccc1 62a_100020667443_100015291786 [0,0,0,0,0,1|0,1,1]=3 2557 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100000721315_100020667443 [0,0,0,0,0,1|1,1,1]=4 2558 B12R1.252 O=C([O-])CSCc1ccccn1 62a_100020667443_100000721315 [0,0,0,0,0,1|1,1,1]=4 2559 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100000741622_100020667443 [0,0,0,0,0,1|1,1,1]=4 2560 B12R1.252 O=C([O-])CSCc1cccnc1 62a_100020667443_100000741622 [0,0,0,0,0,1|1,1,1]=4 2561 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100015193705_100020667443 [0,0,0,0,0,1|1,1,1]=4 2562 B12R1.252 O=C([O-])CSCc1ccncc1 62a_100020667443_100015193705 [0,0,0,0,0,1|1,1,1]=4 2563 B12R1.252 O=[N+]([O-])CNCc1ccccc1 34a_100015324214_100000761209 [0,0,0,0,0,1|2,0,1]=4 2564 B12R1.252 O=[N+]([O-])COCc1ccccc1 34a_100000210790_100000761209 [0,0,0,0,0,1|1,0,1]=3 2565 B12R1.252 O=[N+]([O-])CSCc1ccccc1 62a_100000211182_100000761209 [0,0,0,0,0,1|1,1,1]=4 2566 B12R1.252 [13CH3]C(=O)C/C=C/c1ccccc1 1458a_100011219626_200025704644 [0,0,0,0,0,1|2,0,0]=3 2567 B12R1.252 [13CH3]C(=O)C=CSc1ccccc1 1458a_100016262050_200025704644 [0,0,0,0,0,1|1,1,1]=4 2568 B12R1.252 [13CH3]C(=O)CCCc1ccccc1 1458a_100011207963_200025704644 [0,0,0,0,0,1|2,0,0]=3 2569 B12R1.252 [13CH3]C(=O)CCCc1ccccn1 1458a_100000752327_200025704644 [0,0,0,0,0,1|3,0,0]=4 2570 B12R1.252 [13CH3]C(=O)CCCc1ccncc1 1458a_100020654287_200025704644 [0,0,0,0,0,1|3,0,0]=4 2571 B12R1.252 [13CH3]C(=O)CCOc1ccccc1 1458a_100000182761_200025704644 [0,0,0,0,0,1|1,0,0]=2 2572 B12R1.252 [13CH3]C(=O)CCSc1ccccc1 1458a_100000182436_200025704644 [0,0,0,0,0,1|1,1,0]=3 2573 B12R1.252 [13CH3]C(=O)COCc1ccccc1 1458a_100000230186_200025704644 [0,0,0,0,0,1|1,0,0]=2 2574 B12R1.252 [13CH3]C(=O)CSCc1ccccc1 1458a_100000150264_200025704644 [0,0,0,0,0,1|1,1,0]=3 2575 B12R1.252 [13CH3]C(=O)CSCc1ccccn1 1458a_100000742634_200025704644 [0,0,0,0,0,1|2,1,0]=4 2576 B9R0.45 C/C=C/C=C/COCC=O 34a_100016283227_200009817547 [1,0,1,0,0,0|0,0,2]=4 2577 B9R0.40 C=CCC(C=C)OCC=O 34a_100000038011_200009817547 [1,0,1,0,0,0|0,0,2]=4 2578 B9R0.40 C=CCC(C=C)OCC=O 7a_100000038011_200015260668 [1,0,1,0,0,0|0,0,2]=4 2579 B9R0.43 C=CC(C=C)OCC(=O)N 34a_100000033096_100000187820 [1,0,1,0,0,0|1,0,1]=4 2580 B9R0.43 C=CC(C=C)OCC(=O)[O-] 34a_100000033096_100020667443 [1,0,1,0,0,0|0,0,2]=4 2581 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [2,0,0,0,0,0|1,0,1]=4 2582 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|1,0,1]=4 2583 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|1,0,1]=4 2584 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|0,0,1]=3 2585 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|0,0,1]=3 2586 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [2,0,0,0,0,0|1,0,1]=4 2587 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [2,0,0,0,0,0|1,0,1]=4 2588 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [2,0,0,0,0,0|1,0,1]=4 2589 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|0,1,1]=4 2590 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|0,1,1]=4 2591 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|2,0,0]=4 2592 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 2593 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|2,0,0]=4 2594 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|2,0,0]=4 2595 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 2596 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|2,0,0]=4 2597 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|2,0,0]=4 2598 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 2599 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|2,0,0]=4 2600 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 2601 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|2,0,0]=4 2602 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|2,0,0]=4 2603 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [2,0,0,0,0,0|2,0,0]=4 2604 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [2,0,0,0,0,0|1,0,0]=3 2605 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [2,0,0,0,0,0|1,0,0]=3 2606 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [2,0,0,0,0,0|2,0,0]=4 2607 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [2,0,0,0,0,0|2,0,0]=4 2608 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [2,0,0,0,0,0|2,0,0]=4 2609 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [2,0,0,0,0,0|1,1,0]=4 2610 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [2,0,0,0,0,0|1,1,0]=4 2611 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 2612 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 2613 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 2614 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 2615 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|2,0,0]=4 2616 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|2,0,0]=4 2617 B11R0.40 C/C=C/C=C/COCC(=O)OC 34a_100016283227_100000747449 [0,1,1,0,0,0|0,0,2]=4 2618 B11R0.134 C=CCC(C=C)OCC(=O)OC 34a_100000038011_100000747449 [0,1,1,0,0,0|0,0,2]=4 2619 B11R0.134 C=CCC(C=C)OCC(=O)OC 7a_100000038011_100000747449 [0,1,1,0,0,0|0,0,2]=4 2620 B11R1.1 C#CCOc1ccc(cc1)Br 34a_100000185759_100000184674 [1,1,0,0,0,0|1,0,1]=4 2621 B11R1.1 C#CCOc1ccc(cc1)Br 7a_100000185759_100000038162 [1,1,0,0,0,0|1,0,1]=4 2622 B11R1.1 C#CCOc1ccc(cc1)C 34a_100000210336_100000184674 [1,1,0,0,0,0|1,0,1]=4 2623 B11R1.1 C#CCOc1ccc(cc1)C 7a_100000210336_100000038162 [1,1,0,0,0,0|1,0,1]=4 2624 B11R1.1 C#CCOc1ccc(cc1)Cl 34a_100000210216_100000184674 [1,1,0,0,0,0|1,0,1]=4 2625 B11R1.1 C#CCOc1ccc(cc1)Cl 7a_100000210216_100000038162 [1,1,0,0,0,0|1,0,1]=4 2626 B11R1.1 C#CCOc1ccc(cc1)F 34a_100000210339_100000184674 [1,1,0,0,0,0|1,0,1]=4 2627 B11R1.1 C#CCOc1ccc(cc1)I 34a_100000212066_100000184674 [1,1,0,0,0,0|1,0,1]=4 2628 B11R1.1 C#CCOc1ccc(cc1)I 7a_100000212066_100000038162 [1,1,0,0,0,0|1,0,1]=4 2629 B11R1.1 C#CCOc1ccc(cc1)N 34a_100000185829_100000184674 [1,1,0,0,0,0|1,0,1]=4 2630 B11R1.1 C=CCNc1ccc(cc1)Br 2230a_100000210018_100000210623 [1,1,0,0,0,0|2,0,0]=4 2631 B11R1.1 C=CCNc1ccc(cc1)Br 34a_100000210018_100015514636 [1,1,0,0,0,0|2,0,0]=4 2632 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [1,1,0,0,0,0|2,0,0]=4 2633 B11R1.1 C=CCNc1ccc(cc1)Cl 2230a_100000210052_100000210623 [1,1,0,0,0,0|2,0,0]=4 2634 B11R1.1 C=CCNc1ccc(cc1)Cl 34a_100000210052_100015514636 [1,1,0,0,0,0|2,0,0]=4 2635 B11R1.1 C=CCNc1ccc(cc1)F 34a_100000185862_100015514636 [1,1,0,0,0,0|2,0,0]=4 2636 B11R1.1 C=CCNc1ccc(cc1)I 34a_100000185761_100015514636 [1,1,0,0,0,0|2,0,0]=4 2637 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [1,1,0,0,0,0|2,0,0]=4 2638 B11R1.1 C=CCOc1ccc(=O)[nH]c1 34a_100000075641_100015514636 [1,1,0,0,0,0|2,0,0]=4 2639 B11R1.1 C=CCOc1ccc(cc1)Br 34a_100000185759_100015514636 [1,1,0,0,0,0|1,0,0]=3 2640 B11R1.1 C=CCOc1ccc(cc1)Br 7a_100000185759_100015514636 [1,1,0,0,0,0|1,0,0]=3 2641 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [1,1,0,0,0,0|1,0,0]=3 2642 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [1,1,0,0,0,0|1,0,0]=3 2643 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [1,1,0,0,0,0|1,0,0]=3 2644 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [1,1,0,0,0,0|1,0,0]=3 2645 B11R1.1 C=CCOc1ccc(cc1)F 34a_100000210339_100015514636 [1,1,0,0,0,0|1,0,0]=3 2646 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [1,1,0,0,0,0|1,0,0]=3 2647 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [1,1,0,0,0,0|1,0,0]=3 2648 B11R1.1 C=CCOc1ccc(cc1)N 34a_100000185829_100015514636 [1,1,0,0,0,0|1,0,0]=3 2649 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [1,1,0,0,0,0|1,0,0]=3 2650 B11R1.1 C=CCOc1ccc(cn1)C 34a_100000759353_100015514636 [1,1,0,0,0,0|2,0,0]=4 2651 B11R1.1 C=CCOc1ccc(cn1)Cl 34a_100011215309_100015514636 [1,1,0,0,0,0|2,0,0]=4 2652 B11R1.1 C=CCOc1ccc(cn1)F 34a_100000742473_100015514636 [1,1,0,0,0,0|2,0,0]=4 2653 B11R1.1 C=CCOc1ccc(cn1)N 34a_100000729260_100015514636 [1,1,0,0,0,0|2,0,0]=4 2654 B11R1.1 C=CCOc1ccc(nc1)Br 34a_100000685995_100015514636 [1,1,0,0,0,0|2,0,0]=4 2655 B11R1.1 C=CCOc1ccc(nc1)Br 7a_100000685995_100015514636 [1,1,0,0,0,0|2,0,0]=4 2656 B11R1.1 C=CCOc1ccc(nc1)C 34a_100000745506_100015514636 [1,1,0,0,0,0|2,0,0]=4 2657 B11R1.1 C=CCOc1ccc(nc1)C 7a_100000745506_100015514636 [1,1,0,0,0,0|2,0,0]=4 2658 B11R1.1 C=CCOc1ccc(nc1)Cl 34a_100000744096_100015514636 [1,1,0,0,0,0|2,0,0]=4 2659 B11R1.1 C=CCOc1ccc(nc1)Cl 7a_100000744096_100015514636 [1,1,0,0,0,0|2,0,0]=4 2660 B11R1.1 C=CCOc1ccc(nc1)F 34a_100000688820_100015514636 [1,1,0,0,0,0|2,0,0]=4 2661 B11R1.1 C=CCOc1ccc(nc1)F 7a_100000688820_100015514636 [1,1,0,0,0,0|2,0,0]=4 2662 B11R1.1 C=CCOc1ccc(nc1)I 34a_100000687607_100015514636 [1,1,0,0,0,0|2,0,0]=4 2663 B11R1.1 C=CCOc1ccc(nc1)I 7a_100000687607_100015514636 [1,1,0,0,0,0|2,0,0]=4 2664 B11R1.1 C=CCOc1ccc(nc1)N 34a_100015188713_100015514636 [1,1,0,0,0,0|2,0,0]=4 2665 B11R1.1 C=CCOc1ccc(nc1)N 7a_100015188713_100015514636 [1,1,0,0,0,0|2,0,0]=4 2666 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000210623_100000752885 [1,1,0,0,0,0|1,1,0]=4 2667 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000752885_100000210623 [1,1,0,0,0,0|1,1,0]=4 2668 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [1,1,0,0,0,0|1,1,0]=4 2669 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [1,1,0,0,0,0|1,1,0]=4 2670 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000210623_100000755918 [1,1,0,0,0,0|1,1,0]=4 2671 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000755918_100000210623 [1,1,0,0,0,0|1,1,0]=4 2672 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000210623_100000211213 [1,1,0,0,0,0|1,1,0]=4 2673 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000211213_100000210623 [1,1,0,0,0,0|1,1,0]=4 2674 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000185761_100000210623 [1,1,0,0,0,0|1,1,0]=4 2675 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000210623_100000185761 [1,1,0,0,0,0|1,1,0]=4 2676 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [1,1,0,0,0,0|1,1,0]=4 2677 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [1,1,0,0,0,0|1,0,1]=4 2678 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [1,1,0,0,0,0|1,0,1]=4 2679 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [1,1,0,0,0,0|1,0,1]=4 2680 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [1,1,0,0,0,0|1,0,1]=4 2681 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [1,1,0,0,0,0|1,0,1]=4 2682 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [1,1,0,0,0,0|1,0,1]=4 2683 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [1,1,0,0,0,0|1,0,1]=4 2684 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [1,1,0,0,0,0|1,0,1]=4 2685 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [1,1,0,0,0,0|1,0,1]=4 2686 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [1,1,0,0,0,0|1,0,1]=4 2687 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [1,1,0,0,0,0|1,0,1]=4 2688 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [1,1,0,0,0,0|2,0,0]=4 2689 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [1,1,0,0,0,0|2,0,0]=4 2690 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [1,1,0,0,0,0|2,0,0]=4 2691 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [1,1,0,0,0,0|2,0,0]=4 2692 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [1,1,0,0,0,0|2,0,0]=4 2693 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [1,1,0,0,0,0|2,0,0]=4 2694 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [1,1,0,0,0,0|2,0,0]=4 2695 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [1,1,0,0,0,0|1,0,0]=3 2696 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [1,1,0,0,0,0|1,0,1]=4 2697 B11R1.1 Cc1ccc(cc1)OCC#N 7a_100000210336_100011215382 [1,1,0,0,0,0|1,0,1]=4 2698 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [1,1,0,0,0,0|0,0,0]=2 2699 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [1,1,0,0,0,0|0,0,0]=2 2700 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [1,1,0,0,0,0|1,0,1]=4 2701 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [1,1,0,0,0,0|1,0,1]=4 2702 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [1,1,0,0,0,0|0,0,1]=3 2703 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [1,1,0,0,0,0|0,0,1]=3 2704 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [1,1,0,0,0,0|0,1,0]=3 2705 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [1,1,0,0,0,0|0,1,0]=3 2706 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [1,1,0,0,0,0|0,1,1]=4 2707 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [1,1,0,0,0,0|0,1,1]=4 2708 B11R1.1 Cc1ccc(cn1)OCC=O 34a_100000745506_200009817547 [1,1,0,0,0,0|1,0,0]=3 2709 B11R1.1 Cc1ccc(cn1)OCC=O 7a_100000745506_200015260668 [1,1,0,0,0,0|1,0,0]=3 2710 B11R1.1 Cc1ccc(cn1)OCCO 34a_100000745506_100000211926 [1,1,0,0,0,0|1,0,1]=4 2711 B11R1.1 Cc1ccc(cn1)OCCO 7a_100000745506_100000211926 [1,1,0,0,0,0|1,0,1]=4 2712 B11R1.1 Cc1ccc(cn1)SCC=O 62a_100000751577_200015260668 [1,1,0,0,0,0|1,1,0]=4 2713 B11R1.1 Cc1ccc(cn1)SCC=O 62a_200015260668_100000751577 [1,1,0,0,0,0|1,1,0]=4 2714 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [1,1,0,0,0,0|1,0,0]=3 2715 B11R1.1 Cc1ccc(nc1)OCCO 34a_100000759353_100000211926 [1,1,0,0,0,0|1,0,1]=4 2716 B11R1.1 Cc1ccc(nc1)SCC=O 62a_100011192072_200015260668 [1,1,0,0,0,0|1,1,0]=4 2717 B11R1.1 Cc1ccc(nc1)SCC=O 62a_200015260668_100000754016 [1,1,0,0,0,0|1,1,0]=4 2718 B11R1.1 Cc1ncc(cn1)OCC=O 34a_100000062939_200009817547 [1,1,0,0,0,0|2,0,0]=4 2719 B11R1.1 Cc1ncc(cn1)OCC=O 7a_100000062939_200015260668 [1,1,0,0,0,0|2,0,0]=4 2720 B11R1.1 FCCOc1ccc(cc1)Br 34a_100000185759_100011217306 [1,1,0,0,0,0|1,0,1]=4 2721 B11R1.1 FCCOc1ccc(cc1)Br 7a_100000185759_100011217306 [1,1,0,0,0,0|1,0,1]=4 2722 B11R1.1 FCCOc1ccc(cc1)Cl 34a_100000210216_100011217306 [1,1,0,0,0,0|1,0,1]=4 2723 B11R1.1 FCCOc1ccc(cc1)Cl 7a_100000210216_100011217306 [1,1,0,0,0,0|1,0,1]=4 2724 B11R1.1 FCCOc1ccc(cc1)F 34a_100000210339_100011217306 [1,1,0,0,0,0|1,0,1]=4 2725 B11R1.1 FCCOc1ccc(cc1)I 34a_100000212066_100011217306 [1,1,0,0,0,0|1,0,1]=4 2726 B11R1.1 FCCOc1ccc(cc1)I 7a_100000212066_100011217306 [1,1,0,0,0,0|1,0,1]=4 2727 B11R1.1 N#CCOc1ccc(cc1)Br 7a_100000185759_100011215382 [1,1,0,0,0,0|1,0,1]=4 2728 B11R1.1 N#CCOc1ccc(cc1)Cl 7a_100000210216_100011215382 [1,1,0,0,0,0|1,0,1]=4 2729 B11R1.1 N#CCOc1ccc(cc1)I 7a_100000212066_100011215382 [1,1,0,0,0,0|1,0,1]=4 2730 B11R1.1 N#CCOc1ccc(cc1)O 271570a_203496583355_200000169425 [1,1,0,0,0,0|1,0,1]=4 2731 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [1,1,0,0,0,0|1,0,1]=4 2732 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [1,1,0,0,0,0|0,0,0]=2 2733 B11R1.1 Nc1ccc(cc1)OCCF 34a_100000185829_100011217306 [1,1,0,0,0,0|1,0,1]=4 2734 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [1,1,0,0,0,0|0,0,1]=3 2735 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [1,1,0,0,0,0|0,1,0]=3 2736 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [1,1,0,0,0,0|0,1,0]=3 2737 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [1,1,0,0,0,0|0,1,1]=4 2738 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [1,1,0,0,0,0|0,1,1]=4 2739 B11R1.1 Nc1ccc(cn1)OCC=O 34a_100015188713_200009817547 [1,1,0,0,0,0|1,0,0]=3 2740 B11R1.1 Nc1ccc(cn1)OCC=O 7a_100015188713_200015260668 [1,1,0,0,0,0|1,0,0]=3 2741 B11R1.1 Nc1ccc(cn1)OCCO 34a_100015188713_100000211926 [1,1,0,0,0,0|1,0,1]=4 2742 B11R1.1 Nc1ccc(cn1)OCCO 7a_100015188713_100000211926 [1,1,0,0,0,0|1,0,1]=4 2743 B11R1.1 Nc1ccc(cn1)SCC=O 62a_100000187370_200015260668 [1,1,0,0,0,0|1,1,0]=4 2744 B11R1.1 Nc1ccc(cn1)SCC=O 62a_200015260668_100000187370 [1,1,0,0,0,0|1,1,0]=4 2745 B11R1.1 Nc1ccc(nc1)OCC=O 34a_100000729260_200009817547 [1,1,0,0,0,0|1,0,0]=3 2746 B11R1.1 Nc1ccc(nc1)OCCO 34a_100000729260_100000211926 [1,1,0,0,0,0|1,0,1]=4 2747 B11R1.1 Nc1ccc(nc1)SCC=O 62a_100000737798_200015260668 [1,1,0,0,0,0|1,1,0]=4 2748 B11R1.1 Nc1ccc(nc1)SCC=O 62a_200015260668_100000737798 [1,1,0,0,0,0|1,1,0]=4 2749 B11R1.1 Nc1ncc(cn1)OCC=O 34a_100000087137_200009817547 [1,1,0,0,0,0|2,0,0]=4 2750 B11R1.1 Nc1ncc(cn1)OCC=O 7a_100000087137_200015260668 [1,1,0,0,0,0|2,0,0]=4 2751 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|1,0,0]=3 2752 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [1,1,0,0,0,0|1,0,0]=3 2753 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [1,1,0,0,0,0|1,0,0]=3 2754 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [1,1,0,0,0,0|1,0,0]=3 2755 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [1,1,0,0,0,0|1,0,0]=3 2756 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [1,1,0,0,0,0|1,0,0]=3 2757 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [1,1,0,0,0,0|1,0,0]=3 2758 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [1,1,0,0,0,0|1,0,0]=3 2759 B11R1.1 O=CCOc1ccc(=O)[nH]c1 34a_100000075641_200009817547 [1,1,0,0,0,0|1,0,0]=3 2760 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [1,1,0,0,0,0|0,0,0]=2 2761 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [1,1,0,0,0,0|0,0,0]=2 2762 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [1,1,0,0,0,0|0,0,0]=2 2763 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [1,1,0,0,0,0|0,0,0]=2 2764 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [1,1,0,0,0,0|0,0,0]=2 2765 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [1,1,0,0,0,0|0,0,0]=2 2766 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [1,1,0,0,0,0|0,0,0]=2 2767 B11R1.1 O=CCOc1ccc(cn1)Cl 34a_100011215309_200009817547 [1,1,0,0,0,0|1,0,0]=3 2768 B11R1.1 O=CCOc1ccc(cn1)F 34a_100000742473_200009817547 [1,1,0,0,0,0|1,0,0]=3 2769 B11R1.1 O=CCOc1ccc(nc1)Br 34a_100000685995_200009817547 [1,1,0,0,0,0|1,0,0]=3 2770 B11R1.1 O=CCOc1ccc(nc1)Br 7a_100000685995_200015260668 [1,1,0,0,0,0|1,0,0]=3 2771 B11R1.1 O=CCOc1ccc(nc1)Cl 34a_100000744096_200009817547 [1,1,0,0,0,0|1,0,0]=3 2772 B11R1.1 O=CCOc1ccc(nc1)Cl 7a_100000744096_200015260668 [1,1,0,0,0,0|1,0,0]=3 2773 B11R1.1 O=CCOc1ccc(nc1)F 34a_100000688820_200009817547 [1,1,0,0,0,0|1,0,0]=3 2774 B11R1.1 O=CCOc1ccc(nc1)F 7a_100000688820_200015260668 [1,1,0,0,0,0|1,0,0]=3 2775 B11R1.1 O=CCOc1ccc(nc1)I 34a_100000687607_200009817547 [1,1,0,0,0,0|1,0,0]=3 2776 B11R1.1 O=CCOc1ccc(nc1)I 7a_100000687607_200015260668 [1,1,0,0,0,0|1,0,0]=3 2777 B11R1.1 O=CCOc1cnc(cn1)Br 34a_100011934580_200009817547 [1,1,0,0,0,0|2,0,0]=4 2778 B11R1.1 O=CCOc1cnc(cn1)Cl 34a_100015839800_200009817547 [1,1,0,0,0,0|2,0,0]=4 2779 B11R1.1 O=CCOc1cnc(nc1)Br 34a_100000730009_200009817547 [1,1,0,0,0,0|2,0,0]=4 2780 B11R1.1 O=CCOc1cnc(nc1)Br 7a_100000730009_200015260668 [1,1,0,0,0,0|2,0,0]=4 2781 B11R1.1 O=CCOc1cnc(nc1)Cl 34a_100000092845_200009817547 [1,1,0,0,0,0|2,0,0]=4 2782 B11R1.1 O=CCOc1cnc(nc1)Cl 7a_100000092845_200015260668 [1,1,0,0,0,0|2,0,0]=4 2783 B11R1.1 O=CCOc1cnc(nc1)F 34a_200009874573_200009817547 [1,1,0,0,0,0|2,0,0]=4 2784 B11R1.1 O=CCOc1cnc(nc1)F 7a_200009874573_200015260668 [1,1,0,0,0,0|2,0,0]=4 2785 B11R1.1 O=CCOc1ncc(cn1)F 34a_100011934040_200009817547 [1,1,0,0,0,0|2,0,0]=4 2786 B11R1.1 O=CCSc1cc[n+](cc1)[O-] 62a_200015260668_100000039755 [1,1,0,0,0,0|1,1,0]=4 2787 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_100000212171_200015260668 [1,1,0,0,0,0|1,1,0]=4 2788 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_200015260668_100000212171 [1,1,0,0,0,0|1,1,0]=4 2789 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [1,1,0,0,0,0|0,1,0]=3 2790 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [1,1,0,0,0,0|0,1,0]=3 2791 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [1,1,0,0,0,0|0,1,0]=3 2792 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [1,1,0,0,0,0|0,1,0]=3 2793 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [1,1,0,0,0,0|0,1,0]=3 2794 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [1,1,0,0,0,0|0,1,0]=3 2795 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [1,1,0,0,0,0|0,1,0]=3 2796 B11R1.1 O=CCSc1ccc(cn1)Br 62a_100000686858_200015260668 [1,1,0,0,0,0|1,1,0]=4 2797 B11R1.1 O=CCSc1ccc(cn1)Br 62a_200015260668_100000686858 [1,1,0,0,0,0|1,1,0]=4 2798 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_100011356976_200015260668 [1,1,0,0,0,0|1,1,0]=4 2799 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_200015260668_100011356976 [1,1,0,0,0,0|1,1,0]=4 2800 B11R1.1 O=CCSc1ccc(cn1)F 62a_100000744514_200015260668 [1,1,0,0,0,0|1,1,0]=4 2801 B11R1.1 O=CCSc1ccc(cn1)F 62a_200015260668_100000744514 [1,1,0,0,0,0|1,1,0]=4 2802 B11R1.1 O=CCSc1ccc(cn1)O 62a_100000685995_200015260668 [1,1,0,0,0,0|1,1,0]=4 2803 B11R1.1 O=CCSc1ccc(cn1)O 62a_200015260668_100000744096 [1,1,0,0,0,0|1,1,0]=4 2804 B11R1.1 O=CCSc1ccc(nc1)Br 62a_100009814638_200015260668 [1,1,0,0,0,0|1,1,0]=4 2805 B11R1.1 O=CCSc1ccc(nc1)Br 62a_200015260668_100009814638 [1,1,0,0,0,0|1,1,0]=4 2806 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_100000034144_200015260668 [1,1,0,0,0,0|1,1,0]=4 2807 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_200015260668_100000034144 [1,1,0,0,0,0|1,1,0]=4 2808 B11R1.1 O=CCSc1ccc(nc1)F 62a_100000042367_200015260668 [1,1,0,0,0,0|1,1,0]=4 2809 B11R1.1 O=CCSc1ccc(nc1)F 62a_200015260668_100000042367 [1,1,0,0,0,0|1,1,0]=4 2810 B11R1.1 O=c1ccc(c[nH]1)OCCO 34a_100000075641_100000211926 [1,1,0,0,0,0|1,0,1]=4 2811 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [1,1,0,0,0,0|1,0,1]=4 2812 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [1,1,0,0,0,0|1,0,1]=4 2813 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [1,1,0,0,0,0|1,0,1]=4 2814 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [1,1,0,0,0,0|1,0,1]=4 2815 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [1,1,0,0,0,0|1,0,1]=4 2816 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [1,1,0,0,0,0|1,0,1]=4 2817 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [1,1,0,0,0,0|1,0,1]=4 2818 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [1,1,0,0,0,0|1,0,1]=4 2819 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [1,1,0,0,0,0|0,0,1]=3 2820 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [1,1,0,0,0,0|0,0,1]=3 2821 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [1,1,0,0,0,0|0,0,1]=3 2822 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [1,1,0,0,0,0|0,0,1]=3 2823 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [1,1,0,0,0,0|0,0,1]=3 2824 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [1,1,0,0,0,0|0,0,1]=3 2825 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [1,1,0,0,0,0|0,0,1]=3 2826 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [1,1,0,0,0,0|0,0,1]=3 2827 B11R1.1 OCCOc1ccc(cn1)Cl 34a_100011215309_100000211926 [1,1,0,0,0,0|1,0,1]=4 2828 B11R1.1 OCCOc1ccc(cn1)F 34a_100000742473_100000211926 [1,1,0,0,0,0|1,0,1]=4 2829 B11R1.1 OCCOc1ccc(nc1)Br 34a_100000685995_100000211926 [1,1,0,0,0,0|1,0,1]=4 2830 B11R1.1 OCCOc1ccc(nc1)Br 7a_100000685995_100000211926 [1,1,0,0,0,0|1,0,1]=4 2831 B11R1.1 OCCOc1ccc(nc1)Cl 34a_100000744096_100000211926 [1,1,0,0,0,0|1,0,1]=4 2832 B11R1.1 OCCOc1ccc(nc1)Cl 7a_100000744096_100000211926 [1,1,0,0,0,0|1,0,1]=4 2833 B11R1.1 OCCOc1ccc(nc1)F 34a_100000688820_100000211926 [1,1,0,0,0,0|1,0,1]=4 2834 B11R1.1 OCCOc1ccc(nc1)F 7a_100000688820_100000211926 [1,1,0,0,0,0|1,0,1]=4 2835 B11R1.1 OCCOc1ccc(nc1)I 34a_100000687607_100000211926 [1,1,0,0,0,0|1,0,1]=4 2836 B11R1.1 OCCOc1ccc(nc1)I 7a_100000687607_100000211926 [1,1,0,0,0,0|1,0,1]=4 2837 B11R1.1 OCCOc1ccc(nc1)O 271570a_203496583355_200013150534 [1,1,0,0,0,0|1,0,1]=4 2838 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [1,1,0,0,0,0|0,1,1]=4 2839 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [1,1,0,0,0,0|0,1,1]=4 2840 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [1,1,0,0,0,0|0,1,1]=4 2841 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [1,1,0,0,0,0|0,1,1]=4 2842 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [1,1,0,0,0,0|0,1,1]=4 2843 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [1,1,0,0,0,0|0,1,1]=4 2844 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [1,1,0,0,0,0|0,1,1]=4 2845 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [1,1,0,0,0,0|1,0,1]=4 2846 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [1,1,0,0,0,0|2,0,0]=4 2847 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [1,1,0,0,0,0|2,0,0]=4 2848 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [1,1,0,0,0,0|2,0,0]=4 2849 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [1,1,0,0,0,0|2,0,0]=4 2850 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [1,1,0,0,0,0|2,0,0]=4 2851 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [1,1,0,0,0,0|2,0,0]=4 2852 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [1,1,0,0,0,0|2,0,0]=4 2853 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [1,1,0,0,0,0|2,0,0]=4 2854 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [1,1,0,0,0,0|2,0,0]=4 2855 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [1,1,0,0,0,0|2,0,0]=4 2856 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [1,1,0,0,0,0|1,0,0]=3 2857 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [1,1,0,0,0,0|1,0,0]=3 2858 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [1,1,0,0,0,0|1,0,0]=3 2859 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [1,1,0,0,0,0|1,0,1]=4 2860 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [1,1,0,0,0,0|1,0,1]=4 2861 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [1,1,0,0,0,0|1,0,1]=4 2862 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [1,1,0,0,0,0|1,0,1]=4 2863 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [1,1,0,0,0,0|1,0,1]=4 2864 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|1,0,1]=4 2865 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [1,1,0,0,0,0|1,0,1]=4 2866 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [1,1,0,0,0,0|1,0,1]=4 2867 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [1,1,0,0,0,0|1,0,1]=4 2868 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|1,0,1]=4 2869 B11R1.17 C#CCOc1ccccc1Br 34a_100000181306_100000184674 [1,1,0,0,0,0|1,0,1]=4 2870 B11R1.17 C#CCOc1ccccc1Br 7a_100000181306_100000038162 [1,1,0,0,0,0|1,0,1]=4 2871 B11R1.17 C#CCOc1ccccc1C 34a_100000210338_100000184674 [1,1,0,0,0,0|1,0,1]=4 2872 B11R1.17 C#CCOc1ccccc1C 7a_100000210338_100000038162 [1,1,0,0,0,0|1,0,1]=4 2873 B11R1.17 C#CCOc1ccccc1Cl 34a_100000210172_100000184674 [1,1,0,0,0,0|1,0,1]=4 2874 B11R1.17 C#CCOc1ccccc1Cl 7a_100000210172_100000038162 [1,1,0,0,0,0|1,0,1]=4 2875 B11R1.17 C#CCOc1ccccc1F 34a_100000210171_100000184674 [1,1,0,0,0,0|1,0,1]=4 2876 B11R1.17 C#CCOc1ccccc1F 7a_100000210171_100000038162 [1,1,0,0,0,0|1,0,1]=4 2877 B11R1.17 C#CCOc1ccccc1I 34a_100000739446_100000184674 [1,1,0,0,0,0|1,0,1]=4 2878 B11R1.17 C#CCOc1ccccc1I 7a_100000739446_100000038162 [1,1,0,0,0,0|1,0,1]=4 2879 B11R1.17 C#CCOc1ccccc1N 34a_100000185747_100000184674 [1,1,0,0,0,0|1,0,1]=4 2880 B11R1.17 C#CCOc1ccccc1N 7a_100000185747_100000038162 [1,1,0,0,0,0|1,0,1]=4 2881 B11R1.17 C=CCNc1ccccc1Br 34a_100000210017_100015514636 [1,1,0,0,0,0|2,0,0]=4 2882 B11R1.17 C=CCNc1ccccc1C 34a_100015192222_100015514636 [1,1,0,0,0,0|2,0,0]=4 2883 B11R1.17 C=CCNc1ccccc1Cl 34a_100000185783_100015514636 [1,1,0,0,0,0|2,0,0]=4 2884 B11R1.17 C=CCNc1ccccc1F 34a_100000210422_100015514636 [1,1,0,0,0,0|2,0,0]=4 2885 B11R1.17 C=CCNc1ccccc1I 34a_100000210053_100015514636 [1,1,0,0,0,0|2,0,0]=4 2886 B11R1.17 C=CCNc1ccccc1O 34a_100000185747_100015514636 [1,1,0,0,0,0|2,0,0]=4 2887 B11R1.17 C=CCOc1cccc[n+]1[O-] 7a_100000211761_100015514636 [1,1,0,0,0,0|2,0,0]=4 2888 B11R1.17 C=CCOc1ccccc1Br 34a_100000181306_100015514636 [1,1,0,0,0,0|1,0,0]=3 2889 B11R1.17 C=CCOc1ccccc1Br 7a_100000181306_100015514636 [1,1,0,0,0,0|1,0,0]=3 2890 B11R1.17 C=CCOc1ccccc1C 34a_100000210338_100015514636 [1,1,0,0,0,0|1,0,0]=3 2891 B11R1.17 C=CCOc1ccccc1C 7a_100000210338_100015514636 [1,1,0,0,0,0|1,0,0]=3 2892 B11R1.17 C=CCOc1ccccc1Cl 34a_100000210172_100015514636 [1,1,0,0,0,0|1,0,0]=3 2893 B11R1.17 C=CCOc1ccccc1Cl 7a_100000210172_100015514636 [1,1,0,0,0,0|1,0,0]=3 2894 B11R1.17 C=CCOc1ccccc1F 34a_100000210171_100015514636 [1,1,0,0,0,0|1,0,0]=3 2895 B11R1.17 C=CCOc1ccccc1F 7a_100000210171_100015514636 [1,1,0,0,0,0|1,0,0]=3 2896 B11R1.17 C=CCOc1ccccc1I 34a_100000739446_100015514636 [1,1,0,0,0,0|1,0,0]=3 2897 B11R1.17 C=CCOc1ccccc1I 7a_100000739446_100015514636 [1,1,0,0,0,0|1,0,0]=3 2898 B11R1.17 C=CCOc1ccccc1N 34a_100000185747_100015514636 [1,1,0,0,0,0|1,0,0]=3 2899 B11R1.17 C=CCOc1ccccc1N 7a_100000185747_100015514636 [1,1,0,0,0,0|1,0,0]=3 2900 B11R1.17 C=CCOc1cccnc1Br 34a_100000744436_100015514636 [1,1,0,0,0,0|2,0,0]=4 2901 B11R1.17 C=CCOc1cccnc1Br 7a_100000744436_100015514636 [1,1,0,0,0,0|2,0,0]=4 2902 B11R1.17 C=CCOc1cccnc1C 34a_100000745507_100015514636 [1,1,0,0,0,0|2,0,0]=4 2903 B11R1.17 C=CCOc1cccnc1C 7a_100000745507_100015514636 [1,1,0,0,0,0|2,0,0]=4 2904 B11R1.17 C=CCOc1cccnc1Cl 34a_100000757616_100015514636 [1,1,0,0,0,0|2,0,0]=4 2905 B11R1.17 C=CCOc1cccnc1Cl 7a_100000757616_100015514636 [1,1,0,0,0,0|2,0,0]=4 2906 B11R1.17 C=CCOc1cccnc1F 34a_100000061740_100015514636 [1,1,0,0,0,0|2,0,0]=4 2907 B11R1.17 C=CCOc1cccnc1F 7a_100000061740_100015514636 [1,1,0,0,0,0|2,0,0]=4 2908 B11R1.17 C=CCOc1cccnc1I 34a_100000034122_100015514636 [1,1,0,0,0,0|2,0,0]=4 2909 B11R1.17 C=CCOc1cccnc1I 7a_100000034122_100015514636 [1,1,0,0,0,0|2,0,0]=4 2910 B11R1.17 C=CCOc1cccnc1N 34a_100000211975_100015514636 [1,1,0,0,0,0|2,0,0]=4 2911 B11R1.17 C=CCOc1cccnc1N 7a_100000211975_100015514636 [1,1,0,0,0,0|2,0,0]=4 2912 B11R1.17 C=CCOc1cccoc1=O 34a_100000077404_100015514636 [1,1,0,0,0,0|2,0,0]=4 2913 B11R1.17 C=CCOc1cccoc1=O 7a_100000077404_100015514636 [1,1,0,0,0,0|2,0,0]=4 2914 B11R1.17 C=CCOc1ccncc1Br 34a_100011996408_100015514636 [1,1,0,0,0,0|2,0,0]=4 2915 B11R1.17 C=CCOc1ccncc1C 34a_100000694293_100015514636 [1,1,0,0,0,0|2,0,0]=4 2916 B11R1.17 C=CCOc1ccncc1Cl 34a_100011997054_100015514636 [1,1,0,0,0,0|2,0,0]=4 2917 B11R1.17 C=CCOc1ccncc1F 34a_200000081243_100015514636 [1,1,0,0,0,0|2,0,0]=4 2918 B11R1.17 C=CCOc1cnccc1C 34a_100011997053_100015514636 [1,1,0,0,0,0|2,0,0]=4 2919 B11R1.17 C=CCOc1cnccc1C 7a_100011997053_100015514636 [1,1,0,0,0,0|2,0,0]=4 2920 B11R1.17 C=CCOc1cnccc1Cl 34a_100011996695_100015514636 [1,1,0,0,0,0|2,0,0]=4 2921 B11R1.17 C=CCOc1cnccc1I 34a_100000050107_100015514636 [1,1,0,0,0,0|2,0,0]=4 2922 B11R1.17 C=CCOc1cnccc1N 34a_100000753702_100015514636 [1,1,0,0,0,0|2,0,0]=4 2923 B11R1.17 C=CCOc1coccc1=O 34a_100000060831_100015514636 [1,1,0,0,0,0|2,0,0]=4 2924 B11R1.17 C=CCOc1ncccc1Cl 34a_100011290957_100015514636 [1,1,0,0,0,0|2,0,0]=4 2925 B11R1.17 C=CCOc1ncccc1F 34a_100011219419_100015514636 [1,1,0,0,0,0|2,0,0]=4 2926 B11R1.17 C=CCOc1ncccc1N 34a_100000746358_100015514636 [1,1,0,0,0,0|2,0,0]=4 2927 B11R1.17 C=CCSc1ccccc1Br 62a_100000210623_100000695589 [1,1,0,0,0,0|1,1,0]=4 2928 B11R1.17 C=CCSc1ccccc1Br 62a_100000695589_100000210623 [1,1,0,0,0,0|1,1,0]=4 2929 B11R1.17 C=CCSc1ccccc1C 62a_100000210623_100000210755 [1,1,0,0,0,0|1,1,0]=4 2930 B11R1.17 C=CCSc1ccccc1C 62a_100000210755_100000210623 [1,1,0,0,0,0|1,1,0]=4 2931 B11R1.17 C=CCSc1ccccc1Cl 62a_100000210623_100000764095 [1,1,0,0,0,0|1,1,0]=4 2932 B11R1.17 C=CCSc1ccccc1Cl 62a_100000764095_100000210623 [1,1,0,0,0,0|1,1,0]=4 2933 B11R1.17 C=CCSc1ccccc1F 62a_100000210623_100011215700 [1,1,0,0,0,0|1,1,0]=4 2934 B11R1.17 C=CCSc1ccccc1F 62a_100011215700_100000210623 [1,1,0,0,0,0|1,1,0]=4 2935 B11R1.17 C=CCSc1ccccc1N 62a_100000210017_100000210623 [1,1,0,0,0,0|1,1,0]=4 2936 B11R1.17 C=CCSc1ccccc1N 62a_100000210623_100000210017 [1,1,0,0,0,0|1,1,0]=4 2937 B11R1.17 C=CCSc1ccccc1O 62a_100000210623_100000739446 [1,1,0,0,0,0|1,1,0]=4 2938 B11R1.17 C=CCSc1ccccc1O 62a_100000739446_100000210623 [1,1,0,0,0,0|1,1,0]=4 2939 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [1,1,0,0,0,0|1,0,1]=4 2940 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [1,1,0,0,0,0|1,0,1]=4 2941 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [1,1,0,0,0,0|1,0,1]=4 2942 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [1,1,0,0,0,0|1,0,1]=4 2943 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [1,1,0,0,0,0|1,0,1]=4 2944 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [1,1,0,0,0,0|1,0,1]=4 2945 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [1,1,0,0,0,0|1,0,1]=4 2946 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [1,1,0,0,0,0|1,0,1]=4 2947 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [1,1,0,0,0,0|1,0,1]=4 2948 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [1,1,0,0,0,0|1,0,1]=4 2949 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [1,1,0,0,0,0|1,0,1]=4 2950 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [1,1,0,0,0,0|1,0,1]=4 2951 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [1,1,0,0,0,0|1,0,1]=4 2952 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [1,1,0,0,0,0|2,0,0]=4 2953 B11R1.17 CSCOc1ccccc1Br 34a_100000181306_100011218213 [1,1,0,0,0,0|2,0,0]=4 2954 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [1,1,0,0,0,0|2,0,0]=4 2955 B11R1.17 CSCOc1ccccc1Cl 34a_100000210172_100011218213 [1,1,0,0,0,0|2,0,0]=4 2956 B11R1.17 CSCOc1ccccc1F 34a_100000210171_100011218213 [1,1,0,0,0,0|2,0,0]=4 2957 B11R1.17 CSCOc1ccccc1I 34a_100000739446_100011218213 [1,1,0,0,0,0|2,0,0]=4 2958 B11R1.17 CSCOc1ccccc1N 34a_100000185747_100011218213 [1,1,0,0,0,0|2,0,0]=4 2959 B11R1.17 C[n+]1ccccc1SCC=O 62a_200015260668_100000212160 [1,1,0,0,0,0|1,1,0]=4 2960 B11R1.17 Cc1ccccc1NCC=O 34a_100015192222_200009817547 [1,1,0,0,0,0|1,0,0]=3 2961 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [1,1,0,0,0,0|1,0,1]=4 2962 B11R1.17 Cc1ccccc1OCC#N 7a_100000210338_100011215382 [1,1,0,0,0,0|1,0,1]=4 2963 B11R1.17 Cc1ccccc1OCC=O 34a_100000210338_200009817547 [1,1,0,0,0,0|0,0,0]=2 2964 B11R1.17 Cc1ccccc1OCC=O 7a_100000210338_200015260668 [1,1,0,0,0,0|0,0,0]=2 2965 B11R1.17 Cc1ccccc1OCCF 34a_100000210338_100011217306 [1,1,0,0,0,0|1,0,1]=4 2966 B11R1.17 Cc1ccccc1OCCF 7a_100000210338_100011217306 [1,1,0,0,0,0|1,0,1]=4 2967 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [1,1,0,0,0,0|0,0,1]=3 2968 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [1,1,0,0,0,0|0,0,1]=3 2969 B11R1.17 Cc1ccccc1SCC=O 62a_100000210755_200015260668 [1,1,0,0,0,0|0,1,0]=3 2970 B11R1.17 Cc1ccccc1SCC=O 62a_200015260668_100000210755 [1,1,0,0,0,0|0,1,0]=3 2971 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [1,1,0,0,0,0|0,1,1]=4 2972 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [1,1,0,0,0,0|0,1,1]=4 2973 B11R1.17 Cc1cccnc1SCC=O 62a_100000751373_200015260668 [1,1,0,0,0,0|1,1,0]=4 2974 B11R1.17 Cc1cccnc1SCC=O 62a_200015260668_100000751373 [1,1,0,0,0,0|1,1,0]=4 2975 B11R1.17 Cc1ccncc1OCC=O 34a_100011997053_200009817547 [1,1,0,0,0,0|1,0,0]=3 2976 B11R1.17 Cc1ccncc1OCC=O 7a_100011997053_200015260668 [1,1,0,0,0,0|1,0,0]=3 2977 B11R1.17 Cc1ccncc1OCCO 34a_100011997053_100000211926 [1,1,0,0,0,0|1,0,1]=4 2978 B11R1.17 Cc1ccncc1OCCO 7a_100011997053_100000211926 [1,1,0,0,0,0|1,0,1]=4 2979 B11R1.17 Cc1ccncc1SCC=O 62a_100000761580_200015260668 [1,1,0,0,0,0|1,1,0]=4 2980 B11R1.17 Cc1ccncc1SCC=O 62a_200015260668_100000761580 [1,1,0,0,0,0|1,1,0]=4 2981 B11R1.17 Cc1cnccc1OCC=O 34a_100000694293_200009817547 [1,1,0,0,0,0|1,0,0]=3 2982 B11R1.17 Cc1cnccc1OCCO 34a_100000694293_100000211926 [1,1,0,0,0,0|1,0,1]=4 2983 B11R1.17 Cc1cnccc1SCC=O 62a_100000765111_200015260668 [1,1,0,0,0,0|1,1,0]=4 2984 B11R1.17 Cc1cnccc1SCC=O 62a_200015260668_100000765111 [1,1,0,0,0,0|1,1,0]=4 2985 B11R1.17 Cc1ncccc1OCC=O 34a_100000745507_200009817547 [1,1,0,0,0,0|1,0,0]=3 2986 B11R1.17 Cc1ncccc1OCC=O 7a_100000745507_200015260668 [1,1,0,0,0,0|1,0,0]=3 2987 B11R1.17 Cc1ncccc1OCCO 34a_100000745507_100000211926 [1,1,0,0,0,0|1,0,1]=4 2988 B11R1.17 Cc1ncccc1OCCO 7a_100000745507_100000211926 [1,1,0,0,0,0|1,0,1]=4 2989 B11R1.17 Cc1ncccc1SCC=O 62a_100000751574_200015260668 [1,1,0,0,0,0|1,1,0]=4 2990 B11R1.17 Cc1ncccc1SCC=O 62a_200015260668_100000751574 [1,1,0,0,0,0|1,1,0]=4 2991 B11R1.17 Cc1nccnc1OCC=O 34a_100000766352_200009817547 [1,1,0,0,0,0|2,0,0]=4 2992 B11R1.17 FCCOc1ccccc1Br 34a_100000181306_100011217306 [1,1,0,0,0,0|1,0,1]=4 2993 B11R1.17 FCCOc1ccccc1Br 7a_100000181306_100011217306 [1,1,0,0,0,0|1,0,1]=4 2994 B11R1.17 FCCOc1ccccc1Cl 34a_100000210172_100011217306 [1,1,0,0,0,0|1,0,1]=4 2995 B11R1.17 FCCOc1ccccc1Cl 7a_100000210172_100011217306 [1,1,0,0,0,0|1,0,1]=4 2996 B11R1.17 FCCOc1ccccc1F 34a_100000210171_100011217306 [1,1,0,0,0,0|1,0,1]=4 2997 B11R1.17 FCCOc1ccccc1F 7a_100000210171_100011217306 [1,1,0,0,0,0|1,0,1]=4 2998 B11R1.17 FCCOc1ccccc1I 34a_100000739446_100011217306 [1,1,0,0,0,0|1,0,1]=4 2999 B11R1.17 FCCOc1ccccc1I 7a_100000739446_100011217306 [1,1,0,0,0,0|1,0,1]=4 3000 B11R1.17 N#CCOc1ccccc1Br 7a_100000181306_100011215382 [1,1,0,0,0,0|1,0,1]=4 3001 B11R1.17 N#CCOc1ccccc1Cl 7a_100000210172_100011215382 [1,1,0,0,0,0|1,0,1]=4 3002 B11R1.17 N#CCOc1ccccc1F 7a_100000210171_100011215382 [1,1,0,0,0,0|1,0,1]=4 3003 B11R1.17 N#CCOc1ccccc1I 7a_100000739446_100011215382 [1,1,0,0,0,0|1,0,1]=4 3004 B11R1.17 N#CCOc1ccccc1N 7a_100000185747_100011215382 [1,1,0,0,0,0|1,0,1]=4 3005 B11R1.17 N#CCOc1ccccc1O 271570a_203496583355_200000173881 [1,1,0,0,0,0|1,0,1]=4 3006 B11R1.17 NCCOc1ccccc1O 271570a_203496583355_100000744007 [1,1,0,0,0,0|1,0,1]=4 3007 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [1,1,0,0,0,0|0,0,0]=2 3008 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [1,1,0,0,0,0|0,0,0]=2 3009 B11R1.17 Nc1ccccc1OCCF 34a_100000185747_100011217306 [1,1,0,0,0,0|1,0,1]=4 3010 B11R1.17 Nc1ccccc1OCCF 7a_100000185747_100011217306 [1,1,0,0,0,0|1,0,1]=4 3011 B11R1.17 Nc1ccccc1OCCO 34a_100000185747_100000211926 [1,1,0,0,0,0|0,0,1]=3 3012 B11R1.17 Nc1ccccc1OCCO 7a_100000185747_100000211926 [1,1,0,0,0,0|0,0,1]=3 3013 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [1,1,0,0,0,0|0,1,0]=3 3014 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [1,1,0,0,0,0|0,1,0]=3 3015 B11R1.17 Nc1ccccc1SCCO 62a_100000210017_100000211926 [1,1,0,0,0,0|0,1,1]=4 3016 B11R1.17 Nc1ccccc1SCCO 62a_100000211926_100000210017 [1,1,0,0,0,0|0,1,1]=4 3017 B11R1.17 Nc1cccnc1OCC=O 34a_100000746358_200009817547 [1,1,0,0,0,0|1,0,0]=3 3018 B11R1.17 Nc1cccnc1OCCO 34a_100000746358_100000211926 [1,1,0,0,0,0|1,0,1]=4 3019 B11R1.17 Nc1cccnc1SCC=O 62a_100000688686_200015260668 [1,1,0,0,0,0|1,1,0]=4 3020 B11R1.17 Nc1cccnc1SCC=O 62a_200015260668_100000688686 [1,1,0,0,0,0|1,1,0]=4 3021 B11R1.17 Nc1ccncc1OCC=O 34a_100000753702_200009817547 [1,1,0,0,0,0|1,0,0]=3 3022 B11R1.17 Nc1ccncc1OCCO 34a_100000753702_100000211926 [1,1,0,0,0,0|1,0,1]=4 3023 B11R1.17 Nc1ccncc1SCC=O 62a_100000047001_200015260668 [1,1,0,0,0,0|1,1,0]=4 3024 B11R1.17 Nc1ccncc1SCC=O 62a_200015260668_100000047001 [1,1,0,0,0,0|1,1,0]=4 3025 B11R1.17 Nc1cnccc1SCC=O 62a_100000756074_200015260668 [1,1,0,0,0,0|1,1,0]=4 3026 B11R1.17 Nc1cnccc1SCC=O 62a_200015260668_100000756074 [1,1,0,0,0,0|1,1,0]=4 3027 B11R1.17 Nc1ncccc1OCC=O 34a_100000211975_200009817547 [1,1,0,0,0,0|1,0,0]=3 3028 B11R1.17 Nc1ncccc1OCC=O 7a_100000211975_200015260668 [1,1,0,0,0,0|1,0,0]=3 3029 B11R1.17 Nc1ncccc1OCCO 34a_100000211975_100000211926 [1,1,0,0,0,0|1,0,1]=4 3030 B11R1.17 Nc1ncccc1OCCO 7a_100000211975_100000211926 [1,1,0,0,0,0|1,0,1]=4 3031 B11R1.17 Nc1ncccc1SCC=O 62a_100000045569_200015260668 [1,1,0,0,0,0|1,1,0]=4 3032 B11R1.17 Nc1ncccc1SCC=O 62a_200015260668_100000045569 [1,1,0,0,0,0|1,1,0]=4 3033 B11R1.17 Nc1ncncc1OCC=O 7a_100000112926_200015260668 [1,1,0,0,0,0|2,0,0]=4 3034 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,1,0,0,0,0|1,0,0]=3 3035 B11R1.17 O=CCNc1ccccc1Br 34a_100000210017_200009817547 [1,1,0,0,0,0|1,0,0]=3 3036 B11R1.17 O=CCNc1ccccc1Cl 34a_100000185783_200009817547 [1,1,0,0,0,0|1,0,0]=3 3037 B11R1.17 O=CCNc1ccccc1F 34a_100000210422_200009817547 [1,1,0,0,0,0|1,0,0]=3 3038 B11R1.17 O=CCNc1ccccc1I 34a_100000210053_200009817547 [1,1,0,0,0,0|1,0,0]=3 3039 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [1,1,0,0,0,0|1,0,0]=3 3040 B11R1.17 O=CCOc1cccc[n+]1[O-] 7a_100000211761_200015260668 [1,1,0,0,0,0|1,0,0]=3 3041 B11R1.17 O=CCOc1ccccc1Br 34a_100000181306_200009817547 [1,1,0,0,0,0|0,0,0]=2 3042 B11R1.17 O=CCOc1ccccc1Br 7a_100000181306_200015260668 [1,1,0,0,0,0|0,0,0]=2 3043 B11R1.17 O=CCOc1ccccc1Cl 34a_100000210172_200009817547 [1,1,0,0,0,0|0,0,0]=2 3044 B11R1.17 O=CCOc1ccccc1Cl 7a_100000210172_200015260668 [1,1,0,0,0,0|0,0,0]=2 3045 B11R1.17 O=CCOc1ccccc1F 34a_100000210171_200009817547 [1,1,0,0,0,0|0,0,0]=2 3046 B11R1.17 O=CCOc1ccccc1F 7a_100000210171_200015260668 [1,1,0,0,0,0|0,0,0]=2 3047 B11R1.17 O=CCOc1ccccc1I 34a_100000739446_200009817547 [1,1,0,0,0,0|0,0,0]=2 3048 B11R1.17 O=CCOc1ccccc1I 7a_100000739446_200015260668 [1,1,0,0,0,0|0,0,0]=2 3049 B11R1.17 O=CCOc1cccnc1Br 34a_100000744436_200009817547 [1,1,0,0,0,0|1,0,0]=3 3050 B11R1.17 O=CCOc1cccnc1Br 7a_100000744436_200015260668 [1,1,0,0,0,0|1,0,0]=3 3051 B11R1.17 O=CCOc1cccnc1Cl 34a_100000757616_200009817547 [1,1,0,0,0,0|1,0,0]=3 3052 B11R1.17 O=CCOc1cccnc1Cl 7a_100000757616_200015260668 [1,1,0,0,0,0|1,0,0]=3 3053 B11R1.17 O=CCOc1cccnc1F 34a_100000061740_200009817547 [1,1,0,0,0,0|1,0,0]=3 3054 B11R1.17 O=CCOc1cccnc1F 7a_100000061740_200015260668 [1,1,0,0,0,0|1,0,0]=3 3055 B11R1.17 O=CCOc1cccnc1I 34a_100000034122_200009817547 [1,1,0,0,0,0|1,0,0]=3 3056 B11R1.17 O=CCOc1cccnc1I 7a_100000034122_200015260668 [1,1,0,0,0,0|1,0,0]=3 3057 B11R1.17 O=CCOc1cccoc1=O 34a_100000077404_200009817547 [1,1,0,0,0,0|1,0,0]=3 3058 B11R1.17 O=CCOc1cccoc1=O 7a_100000077404_200015260668 [1,1,0,0,0,0|1,0,0]=3 3059 B11R1.17 O=CCOc1ccncc1Br 34a_100011996408_200009817547 [1,1,0,0,0,0|1,0,0]=3 3060 B11R1.17 O=CCOc1ccncc1Cl 34a_100011997054_200009817547 [1,1,0,0,0,0|1,0,0]=3 3061 B11R1.17 O=CCOc1ccncc1F 34a_200000081243_200009817547 [1,1,0,0,0,0|1,0,0]=3 3062 B11R1.17 O=CCOc1cnccc1Cl 34a_100011996695_200009817547 [1,1,0,0,0,0|1,0,0]=3 3063 B11R1.17 O=CCOc1cnccc1I 34a_100000050107_200009817547 [1,1,0,0,0,0|1,0,0]=3 3064 B11R1.17 O=CCOc1coccc1=O 34a_100000060831_200009817547 [1,1,0,0,0,0|1,0,0]=3 3065 B11R1.17 O=CCOc1ncccc1Cl 34a_100011290957_200009817547 [1,1,0,0,0,0|1,0,0]=3 3066 B11R1.17 O=CCOc1ncccc1F 34a_100011219419_200009817547 [1,1,0,0,0,0|1,0,0]=3 3067 B11R1.17 O=CCSc1c[nH]ccc1=O 62a_100009998708_200015260668 [1,1,0,0,0,0|1,1,0]=4 3068 B11R1.17 O=CCSc1c[nH]ccc1=O 62a_200015260668_100009998708 [1,1,0,0,0,0|1,1,0]=4 3069 B11R1.17 O=CCSc1c[nH]ccc1=S 62a_200012280681_200015260668 [1,1,0,0,0,0|1,1,0]=4 3070 B11R1.17 O=CCSc1c[nH]ccc1=S 62a_200015260668_200012280681 [1,1,0,0,0,0|1,1,0]=4 3071 B11R1.17 O=CCSc1cccc[n+]1[O-] 62a_200015260668_200000042595 [1,1,0,0,0,0|1,1,0]=4 3072 B11R1.17 O=CCSc1ccccc1Br 62a_100000695589_200015260668 [1,1,0,0,0,0|0,1,0]=3 3073 B11R1.17 O=CCSc1ccccc1Br 62a_200015260668_100000695589 [1,1,0,0,0,0|0,1,0]=3 3074 B11R1.17 O=CCSc1ccccc1Cl 62a_100000764095_200015260668 [1,1,0,0,0,0|0,1,0]=3 3075 B11R1.17 O=CCSc1ccccc1Cl 62a_200015260668_100000764095 [1,1,0,0,0,0|0,1,0]=3 3076 B11R1.17 O=CCSc1ccccc1F 62a_100011215700_200015260668 [1,1,0,0,0,0|0,1,0]=3 3077 B11R1.17 O=CCSc1ccccc1F 62a_200015260668_100011215700 [1,1,0,0,0,0|0,1,0]=3 3078 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [1,1,0,0,0,0|0,1,0]=3 3079 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [1,1,0,0,0,0|0,1,0]=3 3080 B11R1.17 O=CCSc1cccnc1Br 62a_100010202626_200015260668 [1,1,0,0,0,0|1,1,0]=4 3081 B11R1.17 O=CCSc1cccnc1Br 62a_200015260668_100010202626 [1,1,0,0,0,0|1,1,0]=4 3082 B11R1.17 O=CCSc1cccnc1Cl 62a_100000036424_200015260668 [1,1,0,0,0,0|1,1,0]=4 3083 B11R1.17 O=CCSc1cccnc1Cl 62a_200015260668_100000036424 [1,1,0,0,0,0|1,1,0]=4 3084 B11R1.17 O=CCSc1cccnc1F 62a_100009816115_200015260668 [1,1,0,0,0,0|1,1,0]=4 3085 B11R1.17 O=CCSc1cccnc1F 62a_200015260668_100009816115 [1,1,0,0,0,0|1,1,0]=4 3086 B11R1.17 O=CCSc1cccnc1O 62a_100000760158_200015260668 [1,1,0,0,0,0|1,1,0]=4 3087 B11R1.17 O=CCSc1cccnc1O 62a_200015260668_100000760158 [1,1,0,0,0,0|1,1,0]=4 3088 B11R1.17 O=CCSc1ccncc1Br 62a_100000726257_200015260668 [1,1,0,0,0,0|1,1,0]=4 3089 B11R1.17 O=CCSc1ccncc1Br 62a_200015260668_100000726257 [1,1,0,0,0,0|1,1,0]=4 3090 B11R1.17 O=CCSc1ccncc1Cl 62a_100000708259_200015260668 [1,1,0,0,0,0|1,1,0]=4 3091 B11R1.17 O=CCSc1ccncc1Cl 62a_200015260668_100000708259 [1,1,0,0,0,0|1,1,0]=4 3092 B11R1.17 O=CCSc1ccncc1F 62a_100000047030_200015260668 [1,1,0,0,0,0|1,1,0]=4 3093 B11R1.17 O=CCSc1ccncc1F 62a_200015260668_100000047030 [1,1,0,0,0,0|1,1,0]=4 3094 B11R1.17 O=CCSc1ccncc1O 62a_100009817591_200015260668 [1,1,0,0,0,0|1,1,0]=4 3095 B11R1.17 O=CCSc1ccncc1O 62a_200015260668_100009817591 [1,1,0,0,0,0|1,1,0]=4 3096 B11R1.17 O=CCSc1cnccc1Br 62a_100010138639_200015260668 [1,1,0,0,0,0|1,1,0]=4 3097 B11R1.17 O=CCSc1cnccc1Br 62a_200015260668_100010138639 [1,1,0,0,0,0|1,1,0]=4 3098 B11R1.17 O=CCSc1cnccc1Cl 62a_100009995489_200015260668 [1,1,0,0,0,0|1,1,0]=4 3099 B11R1.17 O=CCSc1cnccc1Cl 62a_200015260668_100009995489 [1,1,0,0,0,0|1,1,0]=4 3100 B11R1.17 O=CCSc1cnccc1F 62a_100009820683_200015260668 [1,1,0,0,0,0|1,1,0]=4 3101 B11R1.17 O=CCSc1cnccc1F 62a_200015260668_100009820683 [1,1,0,0,0,0|1,1,0]=4 3102 B11R1.17 O=CCSc1ncccc1Br 62a_100000696092_200015260668 [1,1,0,0,0,0|1,1,0]=4 3103 B11R1.17 O=CCSc1ncccc1Br 62a_200015260668_100000696092 [1,1,0,0,0,0|1,1,0]=4 3104 B11R1.17 O=CCSc1ncccc1Cl 62a_100011356963_200015260668 [1,1,0,0,0,0|1,1,0]=4 3105 B11R1.17 O=CCSc1ncccc1Cl 62a_200015260668_100011356963 [1,1,0,0,0,0|1,1,0]=4 3106 B11R1.17 O=CCSc1ncccc1F 62a_100000685392_200015260668 [1,1,0,0,0,0|1,1,0]=4 3107 B11R1.17 O=CCSc1ncccc1F 62a_200015260668_100000685392 [1,1,0,0,0,0|1,1,0]=4 3108 B11R1.17 O=CCSc1ncccc1O 62a_100000034122_200015260668 [1,1,0,0,0,0|1,1,0]=4 3109 B11R1.17 O=CCSc1ncccc1O 62a_200015260668_100000034122 [1,1,0,0,0,0|1,1,0]=4 3110 B11R1.17 O=c1ccocc1OCCO 34a_100000060831_100000211926 [1,1,0,0,0,0|1,0,1]=4 3111 B11R1.17 O=c1occcc1OCCO 34a_100000077404_100000211926 [1,1,0,0,0,0|1,0,1]=4 3112 B11R1.17 O=c1occcc1OCCO 7a_100000077404_100000211926 [1,1,0,0,0,0|1,0,1]=4 3113 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [1,1,0,0,0,0|1,0,1]=4 3114 B11R1.17 OCCNc1ccccc1Br 34a_100000210017_100000211926 [1,1,0,0,0,0|1,0,1]=4 3115 B11R1.17 OCCNc1ccccc1Cl 34a_100000185783_100000211926 [1,1,0,0,0,0|1,0,1]=4 3116 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [1,1,0,0,0,0|1,0,1]=4 3117 B11R1.17 OCCNc1ccccc1I 34a_100000210053_100000211926 [1,1,0,0,0,0|1,0,1]=4 3118 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [1,1,0,0,0,0|1,0,1]=4 3119 B11R1.17 OCCOc1ccccc1Br 34a_100000181306_100000211926 [1,1,0,0,0,0|0,0,1]=3 3120 B11R1.17 OCCOc1ccccc1Br 7a_100000181306_100000211926 [1,1,0,0,0,0|0,0,1]=3 3121 B11R1.17 OCCOc1ccccc1Cl 34a_100000210172_100000211926 [1,1,0,0,0,0|0,0,1]=3 3122 B11R1.17 OCCOc1ccccc1Cl 7a_100000210172_100000211926 [1,1,0,0,0,0|0,0,1]=3 3123 B11R1.17 OCCOc1ccccc1F 34a_100000210171_100000211926 [1,1,0,0,0,0|0,0,1]=3 3124 B11R1.17 OCCOc1ccccc1F 7a_100000210171_100000211926 [1,1,0,0,0,0|0,0,1]=3 3125 B11R1.17 OCCOc1ccccc1I 34a_100000739446_100000211926 [1,1,0,0,0,0|0,0,1]=3 3126 B11R1.17 OCCOc1ccccc1I 7a_100000739446_100000211926 [1,1,0,0,0,0|0,0,1]=3 3127 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [1,1,0,0,0,0|0,0,1]=3 3128 B11R1.17 OCCOc1cccnc1Br 34a_100000744436_100000211926 [1,1,0,0,0,0|1,0,1]=4 3129 B11R1.17 OCCOc1cccnc1Br 7a_100000744436_100000211926 [1,1,0,0,0,0|1,0,1]=4 3130 B11R1.17 OCCOc1cccnc1Cl 34a_100000757616_100000211926 [1,1,0,0,0,0|1,0,1]=4 3131 B11R1.17 OCCOc1cccnc1Cl 7a_100000757616_100000211926 [1,1,0,0,0,0|1,0,1]=4 3132 B11R1.17 OCCOc1cccnc1F 34a_100000061740_100000211926 [1,1,0,0,0,0|1,0,1]=4 3133 B11R1.17 OCCOc1cccnc1F 7a_100000061740_100000211926 [1,1,0,0,0,0|1,0,1]=4 3134 B11R1.17 OCCOc1cccnc1I 34a_100000034122_100000211926 [1,1,0,0,0,0|1,0,1]=4 3135 B11R1.17 OCCOc1cccnc1I 7a_100000034122_100000211926 [1,1,0,0,0,0|1,0,1]=4 3136 B11R1.17 OCCOc1ccncc1Br 34a_100011996408_100000211926 [1,1,0,0,0,0|1,0,1]=4 3137 B11R1.17 OCCOc1ccncc1Cl 34a_100011997054_100000211926 [1,1,0,0,0,0|1,0,1]=4 3138 B11R1.17 OCCOc1ccncc1F 34a_200000081243_100000211926 [1,1,0,0,0,0|1,0,1]=4 3139 B11R1.17 OCCOc1cnccc1Cl 34a_100011996695_100000211926 [1,1,0,0,0,0|1,0,1]=4 3140 B11R1.17 OCCOc1cnccc1I 34a_100000050107_100000211926 [1,1,0,0,0,0|1,0,1]=4 3141 B11R1.17 OCCOc1ncccc1Cl 34a_100011290957_100000211926 [1,1,0,0,0,0|1,0,1]=4 3142 B11R1.17 OCCOc1ncccc1F 34a_100011219419_100000211926 [1,1,0,0,0,0|1,0,1]=4 3143 B11R1.17 OCCSc1ccccc1Br 62a_100000211926_100000695589 [1,1,0,0,0,0|0,1,1]=4 3144 B11R1.17 OCCSc1ccccc1Br 62a_100000695589_100000211926 [1,1,0,0,0,0|0,1,1]=4 3145 B11R1.17 OCCSc1ccccc1Cl 62a_100000211926_100000764095 [1,1,0,0,0,0|0,1,1]=4 3146 B11R1.17 OCCSc1ccccc1Cl 62a_100000764095_100000211926 [1,1,0,0,0,0|0,1,1]=4 3147 B11R1.17 OCCSc1ccccc1F 62a_100000211926_100011215700 [1,1,0,0,0,0|0,1,1]=4 3148 B11R1.17 OCCSc1ccccc1F 62a_100011215700_100000211926 [1,1,0,0,0,0|0,1,1]=4 3149 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [1,1,0,0,0,0|0,1,1]=4 3150 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [1,1,0,0,0,0|0,1,1]=4 3151 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [1,1,0,0,0,0|0,1,1]=4 3152 B11R1.17 [O-][n+]1ccccc1OCCO 7a_100000211761_100000211926 [1,1,0,0,0,0|1,0,1]=4 3153 B11R1.24 C#CCOc1cccc(c1)Br 34a_100000210342_100000184674 [1,1,0,0,0,0|1,0,1]=4 3154 B11R1.24 C#CCOc1cccc(c1)Br 7a_100000210342_100000038162 [1,1,0,0,0,0|1,0,1]=4 3155 B11R1.24 C#CCOc1cccc(c1)C 34a_100000210337_100000184674 [1,1,0,0,0,0|1,0,1]=4 3156 B11R1.24 C#CCOc1cccc(c1)C 7a_100000210337_100000038162 [1,1,0,0,0,0|1,0,1]=4 3157 B11R1.24 C#CCOc1cccc(c1)Cl 34a_100000210295_100000184674 [1,1,0,0,0,0|1,0,1]=4 3158 B11R1.24 C#CCOc1cccc(c1)Cl 7a_100000210295_100000038162 [1,1,0,0,0,0|1,0,1]=4 3159 B11R1.24 C#CCOc1cccc(c1)F 34a_100000210426_100000184674 [1,1,0,0,0,0|1,0,1]=4 3160 B11R1.24 C#CCOc1cccc(c1)F 7a_100000210426_100000038162 [1,1,0,0,0,0|1,0,1]=4 3161 B11R1.24 C#CCOc1cccc(c1)I 34a_100000211634_100000184674 [1,1,0,0,0,0|1,0,1]=4 3162 B11R1.24 C#CCOc1cccc(c1)I 7a_100000211634_100000038162 [1,1,0,0,0,0|1,0,1]=4 3163 B11R1.24 C#CCOc1cccc(c1)N 34a_100000210217_100000184674 [1,1,0,0,0,0|1,0,1]=4 3164 B11R1.24 C=CCNc1cccc(c1)Br 34a_100000210019_100015514636 [1,1,0,0,0,0|2,0,0]=4 3165 B11R1.24 C=CCNc1cccc(c1)C 2230a_100000188690_100000210623 [1,1,0,0,0,0|2,0,0]=4 3166 B11R1.24 C=CCNc1cccc(c1)C 34a_100000188690_100015514636 [1,1,0,0,0,0|2,0,0]=4 3167 B11R1.24 C=CCNc1cccc(c1)Cl 34a_100000185859_100015514636 [1,1,0,0,0,0|2,0,0]=4 3168 B11R1.24 C=CCNc1cccc(c1)F 34a_100000210047_100015514636 [1,1,0,0,0,0|2,0,0]=4 3169 B11R1.24 C=CCNc1cccc(c1)I 34a_100000211102_100015514636 [1,1,0,0,0,0|2,0,0]=4 3170 B11R1.24 C=CCNc1cccc(c1)O 34a_100000210217_100015514636 [1,1,0,0,0,0|2,0,0]=4 3171 B11R1.24 C=CCOc1cc[nH]c(=O)c1 34a_100000032262_100015514636 [1,1,0,0,0,0|2,0,0]=4 3172 B11R1.24 C=CCOc1ccc[n+](c1)[O-] 34a_100000039713_100015514636 [1,1,0,0,0,0|2,0,0]=4 3173 B11R1.24 C=CCOc1ccc[n+](c1)[O-] 7a_100000039713_100015514636 [1,1,0,0,0,0|2,0,0]=4 3174 B11R1.24 C=CCOc1cccc(=O)[nH]1 34a_100000033347_100015514636 [1,1,0,0,0,0|2,0,0]=4 3175 B11R1.24 C=CCOc1cccc(c1)Br 34a_100000210342_100015514636 [1,1,0,0,0,0|1,0,0]=3 3176 B11R1.24 C=CCOc1cccc(c1)Br 7a_100000210342_100015514636 [1,1,0,0,0,0|1,0,0]=3 3177 B11R1.24 C=CCOc1cccc(c1)C 34a_100000210337_100015514636 [1,1,0,0,0,0|1,0,0]=3 3178 B11R1.24 C=CCOc1cccc(c1)C 7a_100000210337_100015514636 [1,1,0,0,0,0|1,0,0]=3 3179 B11R1.24 C=CCOc1cccc(c1)Cl 34a_100000210295_100015514636 [1,1,0,0,0,0|1,0,0]=3 3180 B11R1.24 C=CCOc1cccc(c1)Cl 7a_100000210295_100015514636 [1,1,0,0,0,0|1,0,0]=3 3181 B11R1.24 C=CCOc1cccc(c1)F 34a_100000210426_100015514636 [1,1,0,0,0,0|1,0,0]=3 3182 B11R1.24 C=CCOc1cccc(c1)F 7a_100000210426_100015514636 [1,1,0,0,0,0|1,0,0]=3 3183 B11R1.24 C=CCOc1cccc(c1)I 34a_100000211634_100015514636 [1,1,0,0,0,0|1,0,0]=3 3184 B11R1.24 C=CCOc1cccc(c1)I 7a_100000211634_100015514636 [1,1,0,0,0,0|1,0,0]=3 3185 B11R1.24 C=CCOc1cccc(c1)N 34a_100000210217_100015514636 [1,1,0,0,0,0|1,0,0]=3 3186 B11R1.24 C=CCOc1cccc(n1)F 34a_100011432558_100015514636 [1,1,0,0,0,0|2,0,0]=4 3187 B11R1.24 C=CCOc1ccnc(c1)C 34a_100000688365_100015514636 [1,1,0,0,0,0|2,0,0]=4 3188 B11R1.24 C=CCOc1ccnc(c1)Cl 34a_100000762945_100015514636 [1,1,0,0,0,0|2,0,0]=4 3189 B11R1.24 C=CCOc1ccnc(c1)F 34a_100000732698_100015514636 [1,1,0,0,0,0|2,0,0]=4 3190 B11R1.24 C=CCOc1ccnc(c1)N 34a_100011834064_100015514636 [1,1,0,0,0,0|2,0,0]=4 3191 B11R1.24 C=CCOc1cncc(c1)Br 34a_100000754920_100015514636 [1,1,0,0,0,0|2,0,0]=4 3192 B11R1.24 C=CCOc1cncc(c1)Br 7a_100000754920_100015514636 [1,1,0,0,0,0|2,0,0]=4 3193 B11R1.24 C=CCOc1cncc(c1)C 34a_100011830280_100015514636 [1,1,0,0,0,0|2,0,0]=4 3194 B11R1.24 C=CCOc1cncc(c1)C 7a_100011830280_100015514636 [1,1,0,0,0,0|2,0,0]=4 3195 B11R1.24 C=CCOc1cncc(c1)Cl 7a_100000032511_100015514636 [1,1,0,0,0,0|2,0,0]=4 3196 B11R1.24 C=CCOc1cncc(c1)F 34a_100011830296_100015514636 [1,1,0,0,0,0|2,0,0]=4 3197 B11R1.24 C=CCOc1cncc(c1)F 7a_100011830296_100015514636 [1,1,0,0,0,0|2,0,0]=4 3198 B11R1.24 C=CCOc1cncc(c1)N 34a_100011997051_100015514636 [1,1,0,0,0,0|2,0,0]=4 3199 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000210623_100000691529 [1,1,0,0,0,0|1,1,0]=4 3200 B11R1.24 C=CCSc1cccc(c1)Br 62a_100000691529_100000210623 [1,1,0,0,0,0|1,1,0]=4 3201 B11R1.24 C=CCSc1cccc(c1)C 62a_100000210623_100011215228 [1,1,0,0,0,0|1,1,0]=4 3202 B11R1.24 C=CCSc1cccc(c1)C 62a_100011215228_100000210623 [1,1,0,0,0,0|1,1,0]=4 3203 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000210623_100000699651 [1,1,0,0,0,0|1,1,0]=4 3204 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000699651_100000210623 [1,1,0,0,0,0|1,1,0]=4 3205 B11R1.24 C=CCSc1cccc(c1)F 62a_100000210623_100000685547 [1,1,0,0,0,0|1,1,0]=4 3206 B11R1.24 C=CCSc1cccc(c1)F 62a_100000685547_100000210623 [1,1,0,0,0,0|1,1,0]=4 3207 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210019_100000210623 [1,1,0,0,0,0|1,1,0]=4 3208 B11R1.24 C=CCSc1cccc(c1)N 62a_100000210623_100000210019 [1,1,0,0,0,0|1,1,0]=4 3209 B11R1.24 C=CCSc1cccc(c1)O 62a_100000210623_100000211634 [1,1,0,0,0,0|1,1,0]=4 3210 B11R1.24 C=CCSc1cccc(c1)[S] 62a_100000210623_114929384022 [1,1,0,0,0,0|1,1,0]=4 3211 B11R1.24 C=CCSc1cccc(c1)[S] 62a_114929384022_100000210623 [1,1,0,0,0,0|1,1,0]=4 3212 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [1,1,0,0,0,0|1,0,1]=4 3213 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [1,1,0,0,0,0|1,0,1]=4 3214 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [1,1,0,0,0,0|1,0,1]=4 3215 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [1,1,0,0,0,0|1,0,1]=4 3216 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [1,1,0,0,0,0|1,0,1]=4 3217 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [1,1,0,0,0,0|1,0,1]=4 3218 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [1,1,0,0,0,0|1,0,1]=4 3219 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [1,1,0,0,0,0|1,0,1]=4 3220 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [1,1,0,0,0,0|1,0,1]=4 3221 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [1,1,0,0,0,0|1,0,1]=4 3222 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [1,1,0,0,0,0|1,0,1]=4 3223 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [1,1,0,0,0,0|1,0,1]=4 3224 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [1,1,0,0,0,0|2,0,0]=4 3225 B11R1.24 CSCOc1cccc(c1)Br 34a_100000210342_100011218213 [1,1,0,0,0,0|2,0,0]=4 3226 B11R1.24 CSCOc1cccc(c1)C 34a_100000210337_100011218213 [1,1,0,0,0,0|2,0,0]=4 3227 B11R1.24 CSCOc1cccc(c1)Cl 34a_100000210295_100011218213 [1,1,0,0,0,0|2,0,0]=4 3228 B11R1.24 CSCOc1cccc(c1)F 34a_100000210426_100011218213 [1,1,0,0,0,0|2,0,0]=4 3229 B11R1.24 CSCOc1cccc(c1)I 34a_100000211634_100011218213 [1,1,0,0,0,0|2,0,0]=4 3230 B11R1.24 CSCOc1cccc(c1)N 34a_100000210217_100011218213 [1,1,0,0,0,0|2,0,0]=4 3231 B11R1.24 C[n+]1cccc(c1)SCC=O 62a_100009996589_200015260668 [1,1,0,0,0,0|1,1,0]=4 3232 B11R1.24 C[n+]1cccc(c1)SCC=O 62a_200015260668_100009996589 [1,1,0,0,0,0|1,1,0]=4 3233 B11R1.24 Cc1cc(ccn1)OCC=O 34a_100000688365_200009817547 [1,1,0,0,0,0|1,0,0]=3 3234 B11R1.24 Cc1cc(ccn1)OCCO 34a_100000688365_100000211926 [1,1,0,0,0,0|1,0,1]=4 3235 B11R1.24 Cc1cc(ccn1)SCC=O 62a_100000758586_200015260668 [1,1,0,0,0,0|1,1,0]=4 3236 B11R1.24 Cc1cc(ccn1)SCC=O 62a_200015260668_100000758586 [1,1,0,0,0,0|1,1,0]=4 3237 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [1,1,0,0,0,0|1,0,0]=3 3238 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [1,1,0,0,0,0|1,0,0]=3 3239 B11R1.24 Cc1cccc(c1)NCCO 2230a_100000188690_100000211926 [1,1,0,0,0,0|1,0,1]=4 3240 B11R1.24 Cc1cccc(c1)NCCO 34a_100000188690_100000211926 [1,1,0,0,0,0|1,0,1]=4 3241 B11R1.24 Cc1cccc(c1)OCC#N 7a_100000210337_100011215382 [1,1,0,0,0,0|1,0,1]=4 3242 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [1,1,0,0,0,0|0,0,0]=2 3243 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [1,1,0,0,0,0|0,0,0]=2 3244 B11R1.24 Cc1cccc(c1)OCCF 34a_100000210337_100011217306 [1,1,0,0,0,0|1,0,1]=4 3245 B11R1.24 Cc1cccc(c1)OCCF 7a_100000210337_100011217306 [1,1,0,0,0,0|1,0,1]=4 3246 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [1,1,0,0,0,0|0,0,1]=3 3247 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [1,1,0,0,0,0|0,0,1]=3 3248 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [1,1,0,0,0,0|0,1,0]=3 3249 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [1,1,0,0,0,0|0,1,0]=3 3250 B11R1.24 Cc1cccc(c1)SCCO 62a_100000211926_100011215228 [1,1,0,0,0,0|0,1,1]=4 3251 B11R1.24 Cc1cccc(c1)SCCO 62a_100011215228_100000211926 [1,1,0,0,0,0|0,1,1]=4 3252 B11R1.24 Cc1cccc(n1)SCC=O 62a_100000742759_200015260668 [1,1,0,0,0,0|1,1,0]=4 3253 B11R1.24 Cc1cccc(n1)SCC=O 62a_200015260668_100000742759 [1,1,0,0,0,0|1,1,0]=4 3254 B11R1.24 Cc1ccnc(c1)SCC=O 62a_100000750283_200015260668 [1,1,0,0,0,0|1,1,0]=4 3255 B11R1.24 Cc1ccnc(c1)SCC=O 62a_200015260668_100000750283 [1,1,0,0,0,0|1,1,0]=4 3256 B11R1.24 Cc1cncc(c1)OCC=O 34a_100011830280_200009817547 [1,1,0,0,0,0|1,0,0]=3 3257 B11R1.24 Cc1cncc(c1)OCC=O 7a_100011830280_200015260668 [1,1,0,0,0,0|1,0,0]=3 3258 B11R1.24 Cc1cncc(c1)OCCO 34a_100011830280_100000211926 [1,1,0,0,0,0|1,0,1]=4 3259 B11R1.24 Cc1cncc(c1)OCCO 7a_100011830280_100000211926 [1,1,0,0,0,0|1,0,1]=4 3260 B11R1.24 Cc1cncc(c1)SCC=O 62a_100000760492_200015260668 [1,1,0,0,0,0|1,1,0]=4 3261 B11R1.24 Cc1cncc(c1)SCC=O 62a_200015260668_100000760492 [1,1,0,0,0,0|1,1,0]=4 3262 B11R1.24 Cc1cnnc(c1)OCC=O 34a_100000766097_200009817547 [1,1,0,0,0,0|2,0,0]=4 3263 B11R1.24 FCCOc1cccc(c1)Br 34a_100000210342_100011217306 [1,1,0,0,0,0|1,0,1]=4 3264 B11R1.24 FCCOc1cccc(c1)Br 7a_100000210342_100011217306 [1,1,0,0,0,0|1,0,1]=4 3265 B11R1.24 FCCOc1cccc(c1)Cl 34a_100000210295_100011217306 [1,1,0,0,0,0|1,0,1]=4 3266 B11R1.24 FCCOc1cccc(c1)Cl 7a_100000210295_100011217306 [1,1,0,0,0,0|1,0,1]=4 3267 B11R1.24 FCCOc1cccc(c1)F 34a_100000210426_100011217306 [1,1,0,0,0,0|1,0,1]=4 3268 B11R1.24 FCCOc1cccc(c1)F 7a_100000210426_100011217306 [1,1,0,0,0,0|1,0,1]=4 3269 B11R1.24 FCCOc1cccc(c1)I 34a_100000211634_100011217306 [1,1,0,0,0,0|1,0,1]=4 3270 B11R1.24 FCCOc1cccc(c1)I 7a_100000211634_100011217306 [1,1,0,0,0,0|1,0,1]=4 3271 B11R1.24 N#CCOc1cccc(c1)Br 7a_100000210342_100011215382 [1,1,0,0,0,0|1,0,1]=4 3272 B11R1.24 N#CCOc1cccc(c1)Cl 7a_100000210295_100011215382 [1,1,0,0,0,0|1,0,1]=4 3273 B11R1.24 N#CCOc1cccc(c1)F 7a_100000210426_100011215382 [1,1,0,0,0,0|1,0,1]=4 3274 B11R1.24 N#CCOc1cccc(c1)I 7a_100000211634_100011215382 [1,1,0,0,0,0|1,0,1]=4 3275 B11R1.24 N#CCOc1cccc(c1)O 271570a_203496583355_200000169433 [1,1,0,0,0,0|1,0,1]=4 3276 B11R1.24 NCCOc1cccc(c1)O 271570a_203496583355_100000743521 [1,1,0,0,0,0|1,0,1]=4 3277 B11R1.24 Nc1cc(ccn1)OCC=O 34a_100011834064_200009817547 [1,1,0,0,0,0|1,0,0]=3 3278 B11R1.24 Nc1cc(ccn1)OCCO 34a_100011834064_100000211926 [1,1,0,0,0,0|1,0,1]=4 3279 B11R1.24 Nc1cc(ccn1)SCC=O 62a_100000049665_200015260668 [1,1,0,0,0,0|1,1,0]=4 3280 B11R1.24 Nc1cc(ccn1)SCC=O 62a_200015260668_100000049665 [1,1,0,0,0,0|1,1,0]=4 3281 B11R1.24 Nc1cc(cnn1)OCC=O 34a_200015193112_200009817547 [1,1,0,0,0,0|2,0,0]=4 3282 B11R1.24 Nc1cccc(c1)OCC=O 34a_100000210217_200009817547 [1,1,0,0,0,0|0,0,0]=2 3283 B11R1.24 Nc1cccc(c1)OCCF 34a_100000210217_100011217306 [1,1,0,0,0,0|1,0,1]=4 3284 B11R1.24 Nc1cccc(c1)OCCO 34a_100000210217_100000211926 [1,1,0,0,0,0|0,0,1]=3 3285 B11R1.24 Nc1cccc(c1)SCC=O 62a_100000210019_200015260668 [1,1,0,0,0,0|0,1,0]=3 3286 B11R1.24 Nc1cccc(c1)SCC=O 62a_200015260668_100000210019 [1,1,0,0,0,0|0,1,0]=3 3287 B11R1.24 Nc1cccc(c1)SCCO 62a_100000210019_100000211926 [1,1,0,0,0,0|0,1,1]=4 3288 B11R1.24 Nc1cccc(c1)SCCO 62a_100000211926_100000210019 [1,1,0,0,0,0|0,1,1]=4 3289 B11R1.24 Nc1cccc(n1)SCC=O 62a_100000740741_200015260668 [1,1,0,0,0,0|1,1,0]=4 3290 B11R1.24 Nc1cccc(n1)SCC=O 62a_200015260668_100000740741 [1,1,0,0,0,0|1,1,0]=4 3291 B11R1.24 Nc1ccnc(c1)SCC=O 62a_100009814236_200015260668 [1,1,0,0,0,0|1,1,0]=4 3292 B11R1.24 Nc1ccnc(c1)SCC=O 62a_200015260668_100009814236 [1,1,0,0,0,0|1,1,0]=4 3293 B11R1.24 Nc1cncc(c1)OCC=O 34a_100011997051_200009817547 [1,1,0,0,0,0|1,0,0]=3 3294 B11R1.24 Nc1cncc(c1)OCCO 34a_100011997051_100000211926 [1,1,0,0,0,0|1,0,1]=4 3295 B11R1.24 Nc1cncc(c1)SCC=O 62a_100000687067_200015260668 [1,1,0,0,0,0|1,1,0]=4 3296 B11R1.24 Nc1cncc(c1)SCC=O 62a_200015260668_100000687067 [1,1,0,0,0,0|1,1,0]=4 3297 B11R1.24 O=CCNc1cccc(c1)Br 34a_100000210019_200009817547 [1,1,0,0,0,0|1,0,0]=3 3298 B11R1.24 O=CCNc1cccc(c1)Cl 34a_100000185859_200009817547 [1,1,0,0,0,0|1,0,0]=3 3299 B11R1.24 O=CCNc1cccc(c1)F 34a_100000210047_200009817547 [1,1,0,0,0,0|1,0,0]=3 3300 B11R1.24 O=CCNc1cccc(c1)I 34a_100000211102_200009817547 [1,1,0,0,0,0|1,0,0]=3 3301 B11R1.24 O=CCNc1cccc(c1)O 34a_100000210217_200009817547 [1,1,0,0,0,0|1,0,0]=3 3302 B11R1.24 O=CCOc1cc[nH]c(=O)c1 34a_100000032262_200009817547 [1,1,0,0,0,0|1,0,0]=3 3303 B11R1.24 O=CCOc1ccc[n+](c1)[O-] 34a_100000039713_200009817547 [1,1,0,0,0,0|1,0,0]=3 3304 B11R1.24 O=CCOc1ccc[n+](c1)[O-] 7a_100000039713_200015260668 [1,1,0,0,0,0|1,0,0]=3 3305 B11R1.24 O=CCOc1cccc(=O)[nH]1 34a_100000033347_200009817547 [1,1,0,0,0,0|1,0,0]=3 3306 B11R1.24 O=CCOc1cccc(c1)Br 34a_100000210342_200009817547 [1,1,0,0,0,0|0,0,0]=2 3307 B11R1.24 O=CCOc1cccc(c1)Br 7a_100000210342_200015260668 [1,1,0,0,0,0|0,0,0]=2 3308 B11R1.24 O=CCOc1cccc(c1)Cl 34a_100000210295_200009817547 [1,1,0,0,0,0|0,0,0]=2 3309 B11R1.24 O=CCOc1cccc(c1)Cl 7a_100000210295_200015260668 [1,1,0,0,0,0|0,0,0]=2 3310 B11R1.24 O=CCOc1cccc(c1)F 34a_100000210426_200009817547 [1,1,0,0,0,0|0,0,0]=2 3311 B11R1.24 O=CCOc1cccc(c1)F 7a_100000210426_200015260668 [1,1,0,0,0,0|0,0,0]=2 3312 B11R1.24 O=CCOc1cccc(c1)I 34a_100000211634_200009817547 [1,1,0,0,0,0|0,0,0]=2 3313 B11R1.24 O=CCOc1cccc(c1)I 7a_100000211634_200015260668 [1,1,0,0,0,0|0,0,0]=2 3314 B11R1.24 O=CCOc1cccc(n1)F 34a_100011432558_200009817547 [1,1,0,0,0,0|1,0,0]=3 3315 B11R1.24 O=CCOc1ccnc(c1)Cl 34a_100000762945_200009817547 [1,1,0,0,0,0|1,0,0]=3 3316 B11R1.24 O=CCOc1ccnc(c1)F 34a_100000732698_200009817547 [1,1,0,0,0,0|1,0,0]=3 3317 B11R1.24 O=CCOc1cncc(c1)Br 34a_100000754920_200009817547 [1,1,0,0,0,0|1,0,0]=3 3318 B11R1.24 O=CCOc1cncc(c1)Br 7a_100000754920_200015260668 [1,1,0,0,0,0|1,0,0]=3 3319 B11R1.24 O=CCOc1cncc(c1)Cl 7a_100000032511_200015260668 [1,1,0,0,0,0|1,0,0]=3 3320 B11R1.24 O=CCOc1cncc(c1)F 34a_100011830296_200009817547 [1,1,0,0,0,0|1,0,0]=3 3321 B11R1.24 O=CCOc1cncc(c1)F 7a_100011830296_200015260668 [1,1,0,0,0,0|1,0,0]=3 3322 B11R1.24 O=CCOc1cnnc(c1)Cl 34a_200010734679_200009817547 [1,1,0,0,0,0|2,0,0]=4 3323 B11R1.24 O=CCSc1cc(=O)cc[nH]1 62a_100009817434_200015260668 [1,1,0,0,0,0|1,1,0]=4 3324 B11R1.24 O=CCSc1cc(ccn1)Cl 62a_100010167805_200015260668 [1,1,0,0,0,0|1,1,0]=4 3325 B11R1.24 O=CCSc1cc(ccn1)Cl 62a_200015260668_100010167805 [1,1,0,0,0,0|1,1,0]=4 3326 B11R1.24 O=CCSc1cc(ccn1)F 62a_100000764206_200015260668 [1,1,0,0,0,0|1,1,0]=4 3327 B11R1.24 O=CCSc1cc(ccn1)F 62a_200015260668_100000764206 [1,1,0,0,0,0|1,1,0]=4 3328 B11R1.24 O=CCSc1cc(ccn1)O 62a_200015260668_100000762945 [1,1,0,0,0,0|1,1,0]=4 3329 B11R1.24 O=CCSc1cc[nH]c(=O)c1 62a_100009816521_200015260668 [1,1,0,0,0,0|1,1,0]=4 3330 B11R1.24 O=CCSc1cc[nH]c(=O)c1 62a_200015260668_100009816521 [1,1,0,0,0,0|1,1,0]=4 3331 B11R1.24 O=CCSc1ccc[n+](c1)[O-] 62a_200015260668_100009815978 [1,1,0,0,0,0|1,1,0]=4 3332 B11R1.24 O=CCSc1cccc(=O)[nH]1 62a_200015260668_100000752884 [1,1,0,0,0,0|1,1,0]=4 3333 B11R1.24 O=CCSc1cccc(c1)Br 62a_100000691529_200015260668 [1,1,0,0,0,0|0,1,0]=3 3334 B11R1.24 O=CCSc1cccc(c1)Br 62a_200015260668_100000691529 [1,1,0,0,0,0|0,1,0]=3 3335 B11R1.24 O=CCSc1cccc(c1)Cl 62a_100000699651_200015260668 [1,1,0,0,0,0|0,1,0]=3 3336 B11R1.24 O=CCSc1cccc(c1)Cl 62a_200015260668_100000699651 [1,1,0,0,0,0|0,1,0]=3 3337 B11R1.24 O=CCSc1cccc(c1)F 62a_100000685547_200015260668 [1,1,0,0,0,0|0,1,0]=3 3338 B11R1.24 O=CCSc1cccc(c1)F 62a_200015260668_100000685547 [1,1,0,0,0,0|0,1,0]=3 3339 B11R1.24 O=CCSc1cccc(c1)O 62a_200015260668_100000211634 [1,1,0,0,0,0|0,1,0]=3 3340 B11R1.24 O=CCSc1cccc(c1)[S] 62a_114929384022_200015260668 [1,1,0,0,0,0|0,1,0]=3 3341 B11R1.24 O=CCSc1cccc(c1)[S] 62a_200015260668_114929384022 [1,1,0,0,0,0|0,1,0]=3 3342 B11R1.24 O=CCSc1cccc(n1)Br 62a_100000684672_200015260668 [1,1,0,0,0,0|1,1,0]=4 3343 B11R1.24 O=CCSc1cccc(n1)Br 62a_200015260668_100000684672 [1,1,0,0,0,0|1,1,0]=4 3344 B11R1.24 O=CCSc1cccc(n1)Cl 62a_100000051397_200015260668 [1,1,0,0,0,0|1,1,0]=4 3345 B11R1.24 O=CCSc1cccc(n1)Cl 62a_200015260668_100000051397 [1,1,0,0,0,0|1,1,0]=4 3346 B11R1.24 O=CCSc1cccc(n1)F 62a_100009815982_200015260668 [1,1,0,0,0,0|1,1,0]=4 3347 B11R1.24 O=CCSc1cccc(n1)F 62a_200015260668_100009815982 [1,1,0,0,0,0|1,1,0]=4 3348 B11R1.24 O=CCSc1ccnc(c1)Br 62a_100009814637_200015260668 [1,1,0,0,0,0|1,1,0]=4 3349 B11R1.24 O=CCSc1ccnc(c1)Br 62a_200015260668_100009814637 [1,1,0,0,0,0|1,1,0]=4 3350 B11R1.24 O=CCSc1ccnc(c1)Cl 62a_100000035001_200015260668 [1,1,0,0,0,0|1,1,0]=4 3351 B11R1.24 O=CCSc1ccnc(c1)Cl 62a_200015260668_100000035001 [1,1,0,0,0,0|1,1,0]=4 3352 B11R1.24 O=CCSc1ccnc(c1)F 62a_100009816116_200015260668 [1,1,0,0,0,0|1,1,0]=4 3353 B11R1.24 O=CCSc1ccnc(c1)F 62a_200015260668_100009816116 [1,1,0,0,0,0|1,1,0]=4 3354 B11R1.24 O=CCSc1cncc(c1)Br 62a_100000728054_200015260668 [1,1,0,0,0,0|1,1,0]=4 3355 B11R1.24 O=CCSc1cncc(c1)Br 62a_200015260668_100000728054 [1,1,0,0,0,0|1,1,0]=4 3356 B11R1.24 O=CCSc1cncc(c1)Cl 62a_100000049639_200015260668 [1,1,0,0,0,0|1,1,0]=4 3357 B11R1.24 O=CCSc1cncc(c1)Cl 62a_200015260668_100000049639 [1,1,0,0,0,0|1,1,0]=4 3358 B11R1.24 O=CCSc1cncc(c1)F 62a_100000744099_200015260668 [1,1,0,0,0,0|1,1,0]=4 3359 B11R1.24 O=CCSc1cncc(c1)F 62a_200015260668_100000744099 [1,1,0,0,0,0|1,1,0]=4 3360 B11R1.24 O=CCSc1cncc(c1)O 62a_100000754920_200015260668 [1,1,0,0,0,0|1,1,0]=4 3361 B11R1.24 O=CCSc1cncc(c1)O 62a_200015260668_100000754920 [1,1,0,0,0,0|1,1,0]=4 3362 B11R1.24 O=c1cc(cc[nH]1)OCCO 34a_100000032262_100000211926 [1,1,0,0,0,0|1,0,1]=4 3363 B11R1.24 O=c1cccc([nH]1)OCCO 34a_100000033347_100000211926 [1,1,0,0,0,0|1,0,1]=4 3364 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [1,1,0,0,0,0|1,0,1]=4 3365 B11R1.24 OCCNc1cccc(c1)Br 34a_100000210019_100000211926 [1,1,0,0,0,0|1,0,1]=4 3366 B11R1.24 OCCNc1cccc(c1)Cl 34a_100000185859_100000211926 [1,1,0,0,0,0|1,0,1]=4 3367 B11R1.24 OCCNc1cccc(c1)F 34a_100000210047_100000211926 [1,1,0,0,0,0|1,0,1]=4 3368 B11R1.24 OCCNc1cccc(c1)I 34a_100000211102_100000211926 [1,1,0,0,0,0|1,0,1]=4 3369 B11R1.24 OCCNc1cccc(c1)O 34a_100000210217_100000211926 [1,1,0,0,0,0|1,0,1]=4 3370 B11R1.24 OCCOc1cccc(c1)Br 34a_100000210342_100000211926 [1,1,0,0,0,0|0,0,1]=3 3371 B11R1.24 OCCOc1cccc(c1)Br 7a_100000210342_100000211926 [1,1,0,0,0,0|0,0,1]=3 3372 B11R1.24 OCCOc1cccc(c1)Cl 34a_100000210295_100000211926 [1,1,0,0,0,0|0,0,1]=3 3373 B11R1.24 OCCOc1cccc(c1)Cl 7a_100000210295_100000211926 [1,1,0,0,0,0|0,0,1]=3 3374 B11R1.24 OCCOc1cccc(c1)F 34a_100000210426_100000211926 [1,1,0,0,0,0|0,0,1]=3 3375 B11R1.24 OCCOc1cccc(c1)F 7a_100000210426_100000211926 [1,1,0,0,0,0|0,0,1]=3 3376 B11R1.24 OCCOc1cccc(c1)I 34a_100000211634_100000211926 [1,1,0,0,0,0|0,0,1]=3 3377 B11R1.24 OCCOc1cccc(c1)I 7a_100000211634_100000211926 [1,1,0,0,0,0|0,0,1]=3 3378 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [1,1,0,0,0,0|0,0,1]=3 3379 B11R1.24 OCCOc1cccc(n1)F 34a_100011432558_100000211926 [1,1,0,0,0,0|1,0,1]=4 3380 B11R1.24 OCCOc1ccnc(c1)Cl 34a_100000762945_100000211926 [1,1,0,0,0,0|1,0,1]=4 3381 B11R1.24 OCCOc1ccnc(c1)F 34a_100000732698_100000211926 [1,1,0,0,0,0|1,0,1]=4 3382 B11R1.24 OCCOc1cncc(c1)Br 34a_100000754920_100000211926 [1,1,0,0,0,0|1,0,1]=4 3383 B11R1.24 OCCOc1cncc(c1)Br 7a_100000754920_100000211926 [1,1,0,0,0,0|1,0,1]=4 3384 B11R1.24 OCCOc1cncc(c1)Cl 7a_100000032511_100000211926 [1,1,0,0,0,0|1,0,1]=4 3385 B11R1.24 OCCOc1cncc(c1)F 34a_100011830296_100000211926 [1,1,0,0,0,0|1,0,1]=4 3386 B11R1.24 OCCOc1cncc(c1)F 7a_100011830296_100000211926 [1,1,0,0,0,0|1,0,1]=4 3387 B11R1.24 OCCSc1cccc(c1)Br 62a_100000211926_100000691529 [1,1,0,0,0,0|0,1,1]=4 3388 B11R1.24 OCCSc1cccc(c1)Br 62a_100000691529_100000211926 [1,1,0,0,0,0|0,1,1]=4 3389 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000211926_100000699651 [1,1,0,0,0,0|0,1,1]=4 3390 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000699651_100000211926 [1,1,0,0,0,0|0,1,1]=4 3391 B11R1.24 OCCSc1cccc(c1)F 62a_100000211926_100000685547 [1,1,0,0,0,0|0,1,1]=4 3392 B11R1.24 OCCSc1cccc(c1)F 62a_100000685547_100000211926 [1,1,0,0,0,0|0,1,1]=4 3393 B11R1.24 OCCSc1cccc(c1)O 271570a_203496583355_200011756134 [1,1,0,0,0,0|0,1,1]=4 3394 B11R1.24 OCCSc1cccc(c1)O 62a_100000211926_100000211634 [1,1,0,0,0,0|0,1,1]=4 3395 B11R1.24 OCCSc1cccc(c1)[S] 62a_100000211926_114929384022 [1,1,0,0,0,0|0,1,1]=4 3396 B11R1.24 OCCSc1cccc(c1)[S] 62a_114929384022_100000211926 [1,1,0,0,0,0|0,1,1]=4 3397 B11R1.24 [O-][n+]1cccc(c1)OCCO 34a_100000039713_100000211926 [1,1,0,0,0,0|1,0,1]=4 3398 B11R1.24 [O-][n+]1cccc(c1)OCCO 7a_100000039713_100000211926 [1,1,0,0,0,0|1,0,1]=4 3399 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [1,1,0,0,0,0|1,0,1]=4 3400 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [1,1,0,0,0,0|1,0,1]=4 3401 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [1,1,0,0,0,0|1,0,1]=4 3402 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [1,1,0,0,0,0|1,0,1]=4 3403 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [1,1,0,0,0,0|1,0,1]=4 3404 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [1,1,0,0,0,0|1,0,1]=4 3405 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,1,0,0,0,0|2,0,0]=4 3406 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,1,0,0,0,0|1,0,0]=3 3407 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,1,0,0,0,0|1,0,0]=3 3408 B11R1.28 C/C=C/COc1cccnc1 34a_100000210849_100102629194 [1,1,0,0,0,0|2,0,0]=4 3409 B11R1.28 C/C=C/COc1cccnc1 7a_100000210849_100102629194 [1,1,0,0,0,0|2,0,0]=4 3410 B11R1.28 C/C=C/COc1ccncc1 34a_100000212176_100102629194 [1,1,0,0,0,0|2,0,0]=4 3411 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,1,0,0,0,0|1,1,0]=4 3412 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,1,0,0,0,0|1,1,0]=4 3413 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [1,1,0,0,0,0|2,0,0]=4 3414 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [1,1,0,0,0,0|1,0,0]=3 3415 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [1,1,0,0,0,0|1,0,0]=3 3416 B11R1.28 C=CCCOc1cccnc1 34a_100000210849_100000754431 [1,1,0,0,0,0|2,0,0]=4 3417 B11R1.28 C=CCCOc1cccnc1 7a_100000210849_100000754431 [1,1,0,0,0,0|2,0,0]=4 3418 B11R1.28 C=CCCOc1ccncc1 34a_100000212176_100000754431 [1,1,0,0,0,0|2,0,0]=4 3419 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [1,1,0,0,0,0|1,1,0]=4 3420 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [1,1,0,0,0,0|1,1,0]=4 3421 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [1,1,0,0,0,0|2,0,0]=4 3422 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [1,1,0,0,0,0|2,0,0]=4 3423 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [1,1,0,0,0,0|2,0,0]=4 3424 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [1,1,0,0,0,0|2,0,0]=4 3425 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,1,0,0,0,0|1,0,0]=3 3426 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,1,0,0,0,0|1,0,0]=3 3427 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,1,0,0,0,0|1,0,0]=3 3428 B11R1.28 C=CCOCc1ccccn1 34a_200000210373_100000721315 [1,1,0,0,0,0|2,0,0]=4 3429 B11R1.28 C=CCOCc1cccnc1 34a_200000210373_100000733263 [1,1,0,0,0,0|2,0,0]=4 3430 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [1,1,0,0,0,0|1,1,0]=4 3431 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [1,1,0,0,0,0|1,1,0]=4 3432 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [1,1,0,0,0,0|1,0,1]=4 3433 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [1,1,0,0,0,0|1,0,1]=4 3434 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,1,0,0,0,0|2,0,0]=4 3435 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,1,0,0,0,0|1,0,0]=3 3436 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,1,0,0,0,0|1,0,0]=3 3437 B11R1.28 CC=CCOc1cccnc1 34a_100000210849_100000070051 [1,1,0,0,0,0|2,0,0]=4 3438 B11R1.28 CC=CCOc1cccnc1 7a_100000210849_100000070051 [1,1,0,0,0,0|2,0,0]=4 3439 B11R1.28 CC=CCOc1ccncc1 34a_100000212176_100000070051 [1,1,0,0,0,0|2,0,0]=4 3440 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,1,0,0,0,0|1,1,0]=4 3441 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,1,0,0,0,0|1,1,0]=4 3442 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,1,0,0,0,0|1,0,1]=4 3443 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,1,0,0,0,0|1,0,1]=4 3444 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,1,0,0,0,0|1,0,1]=4 3445 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,1,0,0,0,0|1,0,1]=4 3446 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,1,0,0,0,0|1,0,1]=4 3447 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,1,0,0,0,0|1,0,1]=4 3448 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,1,0,0,0,0|1,0,1]=4 3449 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,1,0,0,0,0|1,0,1]=4 3450 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,1,0,0,0,0|1,0,1]=4 3451 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,1,0,0,0,0|1,0,1]=4 3452 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,1,0,0,0,0|1,0,1]=4 3453 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,1,0,0,0,0|2,0,0]=4 3454 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,1,0,0,0,0|2,0,0]=4 3455 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,1,0,0,0,0|1,0,1]=4 3456 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,1,0,0,0,0|1,0,1]=4 3457 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,1,0,0,0,0|1,0,1]=4 3458 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,1,0,0,0,0|1,0,1]=4 3459 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|1,0,1]=4 3460 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,1,0,0,0,0|0,0,1]=3 3461 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,1,0,0,0,0|0,0,1]=3 3462 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,1,0,0,0,0|0,0,1]=3 3463 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,1,0,0,0,0|0,0,1]=3 3464 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,1,0,0,0,0|0,0,1]=3 3465 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [1,1,0,0,0,0|1,0,1]=4 3466 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [1,1,0,0,0,0|1,0,1]=4 3467 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [1,1,0,0,0,0|1,0,1]=4 3468 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,1,0,0,0,0|0,1,1]=4 3469 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,1,0,0,0,0|0,1,1]=4 3470 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,1,0,0,0,0|0,1,1]=4 3471 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,1,0,0,0,0|0,1,1]=4 3472 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,1,0,0,0,0|2,0,0]=4 3473 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [1,1,0,0,0,0|0,1,1]=4 3474 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [1,1,0,0,0,0|0,1,1]=4 3475 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [1,1,0,0,0,0|0,1,1]=4 3476 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [1,1,0,0,0,0|0,1,1]=4 3477 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,1,0,0,0,0|2,0,0]=4 3478 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,1,0,0,0,0|2,0,0]=4 3479 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,1,0,0,0,0|2,0,0]=4 3480 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [1,1,0,0,0,0|1,0,1]=4 3481 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [1,1,0,0,0,0|1,0,1]=4 3482 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [1,1,0,0,0,0|1,0,1]=4 3483 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [1,1,0,0,0,0|1,0,1]=4 3484 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [1,1,0,0,0,0|1,0,1]=4 3485 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [1,1,0,0,0,0|1,0,1]=4 3486 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,1,0,0,0,0|1,0,1]=4 3487 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,1,0,0,0,0|1,0,0]=3 3488 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,1,0,0,0,0|1,0,0]=3 3489 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,1,0,0,0,0|0,0,0]=2 3490 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,1,0,0,0,0|0,0,0]=2 3491 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,1,0,0,0,0|0,1,0]=3 3492 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,1,0,0,0,0|0,1,0]=3 3493 B11R1.28 O=CCSCc1ccccn1 62a_100000721315_200015260668 [1,1,0,0,0,0|1,1,0]=4 3494 B11R1.28 O=CCSCc1ccccn1 62a_200015260668_100000721315 [1,1,0,0,0,0|1,1,0]=4 3495 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [1,1,0,0,0,0|1,1,0]=4 3496 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [1,1,0,0,0,0|1,1,0]=4 3497 B11R1.28 O=CCSCc1ccncc1 62a_100015193705_200015260668 [1,1,0,0,0,0|1,1,0]=4 3498 B11R1.28 O=CCSCc1ccncc1 62a_200015260668_100015193705 [1,1,0,0,0,0|1,1,0]=4 3499 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,1,0,0,0,0|1,0,1]=4 3500 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,1,0,0,0,0|0,0,1]=3 3501 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,1,0,0,0,0|0,0,1]=3 3502 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [1,1,0,0,0,0|1,0,1]=4 3503 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [1,1,0,0,0,0|1,0,1]=4 3504 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [1,1,0,0,0,0|1,0,1]=4 3505 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,1,0,0,0,0|0,1,1]=4 3506 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,1,0,0,0,0|0,1,1]=4 3507 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,1,0,0,0,0|1,0,1]=4 3508 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,1,0,0,0,0|1,0,1]=4 3509 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,1,0,0,0,0|1,0,1]=4 3510 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,1,0,0,0,0|1,0,1]=4 3511 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,1,0,0,0,0|1,0,1]=4 3512 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,1,0,0,0,0|1,0,1]=4 3513 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,1,0,0,0,0|0,0,1]=3 3514 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,1,0,0,0,0|0,0,1]=3 3515 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,1,0,0,0,0|0,1,1]=4 3516 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,1,0,0,0,0|0,1,1]=4 3517 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,1,0,0,0,0|1,0,1]=4 3518 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,1,0,0,0,0|1,0,1]=4 3519 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,1,0,0,0,0|1,0,1]=4 3520 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,1,0,0,0,0|1,0,1]=4 3521 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|1,0,1]=4 3522 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,1,0,0,0,0|0,0,1]=3 3523 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,1,0,0,0,0|0,0,1]=3 3524 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,1,0,0,0,0|0,1,1]=4 3525 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [1,1,0,0,0,0|0,1,1]=4 3526 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [1,1,0,0,0,0|0,1,1]=4 3527 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,1,0,0,0,0|2,0,0]=4 3528 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,1,0,0,0,0|2,0,0]=4 3529 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [1,1,0,0,0,0|1,0,1]=4 3530 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [1,1,0,0,0,0|1,1,0]=4 3531 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [1,1,0,0,0,0|1,0,1]=4 3532 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [1,1,0,0,0,0|1,0,1]=4 3533 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [1,1,0,0,0,0|0,0,1]=3 3534 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [1,1,0,0,0,0|0,0,1]=3 3535 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [1,1,0,0,0,0|1,0,1]=4 3536 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [1,1,0,0,0,0|1,0,1]=4 3537 B11R1.40 CC(CO)Oc1ccncc1 34a_100000212176_100012180447 [1,1,0,0,0,0|1,0,1]=4 3538 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [1,1,0,0,0,0|0,1,1]=4 3539 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,1,0,0,0,0|1,0,1]=4 3540 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,1,0,0,0,0|1,0,1]=4 3541 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [1,1,0,0,0,0|0,1,1]=4 3542 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [1,1,0,0,0,0|0,1,1]=4 3543 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,1,0|1,0,0]=3 3544 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,1,0|1,0,0]=3 3545 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,1,0|1,0,0]=3 3546 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,1,0|1,0,0]=3 3547 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,1,0|1,0,0]=3 3548 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,1,0|1,0,0]=3 3549 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,1,0|1,0,0]=3 3550 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,1,0|1,0,0]=3 3551 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,1,0|1,0,0]=3 3552 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,1,0|1,0,0]=3 3553 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,1,0|1,0,0]=3 3554 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,1,0|1,0,0]=3 3555 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,1,0,0,1,0|2,0,0]=4 3556 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,1,0,0,1,0|2,0,0]=4 3557 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,1,0,0,1,0|2,0,0]=4 3558 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,1,0,0,1,0|2,0,0]=4 3559 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,1,0,0,1,0|2,0,0]=4 3560 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,1,0,0,1,0|2,0,0]=4 3561 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,1,0,0,1,0|2,0,0]=4 3562 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [0,1,0,0,1,0|2,0,0]=4 3563 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [0,1,0,0,1,0|2,0,0]=4 3564 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,1,0,0,1,0|2,0,0]=4 3565 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,1,0,0,1,0|2,0,0]=4 3566 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,1,0,0,1,0|2,0,0]=4 3567 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,1,0,0,1,0|2,0,0]=4 3568 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [0,1,0,0,1,0|2,0,0]=4 3569 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [0,1,0,0,1,0|2,0,0]=4 3570 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,1,0,0,1,0|2,0,0]=4 3571 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,1,0,0,1,0|2,0,0]=4 3572 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,1,0,0,1,0|2,0,0]=4 3573 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,1,0,0,1,0|2,0,0]=4 3574 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,1,0,0,1,0|2,0,0]=4 3575 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,1,0,0,1,0|2,0,0]=4 3576 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,1,0,0,1,0|2,0,0]=4 3577 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,1,0,0,1,0|2,0,0]=4 3578 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,1,0,0,1,0|2,0,0]=4 3579 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,1,0,0,1,0|2,0,0]=4 3580 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,1,0,0,1,0|2,0,0]=4 3581 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,1,0,0,1,0|2,0,0]=4 3582 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,1,0,0,1,0|2,0,0]=4 3583 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,1,0,0,1,0|2,0,0]=4 3584 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,1,0,0,1,0|2,0,0]=4 3585 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,1,0,0,1,0|2,0,0]=4 3586 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,1,0,0,1,0|2,0,0]=4 3587 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,1,0,0,1,0|2,0,0]=4 3588 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,1,0,0,1,0|2,0,0]=4 3589 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,1,0,0,1,0|2,0,0]=4 3590 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,1,0,0,1,0|2,0,0]=4 3591 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,1,0,0,1,0|2,0,0]=4 3592 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,0,1,0|1,0,0]=3 3593 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,1,0,0,1,0|1,1,0]=4 3594 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [0,1,0,0,1,0|1,1,0]=4 3595 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,1,0|1,0,0]=3 3596 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,1,0,0,1,0|2,0,0]=4 3597 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,1,0,0,1,0|2,0,0]=4 3598 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,1,0,0,1,0|1,0,0]=3 3599 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,1,0,0,1,0|2,0,0]=4 3600 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,1,0,0,1,0|2,0,0]=4 3601 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,1,0,0,1,0|2,0,0]=4 3602 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,1,0|1,0,0]=3 3603 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,1,0|1,0,0]=3 3604 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,1,0|1,0,0]=3 3605 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,1,0|1,0,0]=3 3606 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,1,0|1,0,0]=3 3607 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,1,0,0,1,0|2,0,0]=4 3608 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,1,0,0,1,0|2,0,0]=4 3609 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [0,1,0,0,1,0|2,0,0]=4 3610 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,1,0,0,1,0|2,0,0]=4 3611 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [0,1,0,0,1,0|2,0,0]=4 3612 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,1,0|1,0,1]=4 3613 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,1,0|1,0,1]=4 3614 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,1,0|1,0,0]=3 3615 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,1,0,0,1,0|2,0,0]=4 3616 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,1,0|1,0,0]=3 3617 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,1,0|2,0,0]=4 3618 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,1,0|2,0,0]=4 3619 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,1,0|2,0,0]=4 3620 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,1,0|1,0,0]=3 3621 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,1,0|1,0,0]=3 3622 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,1,0,0,1,0|2,0,0]=4 3623 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,1,0|1,0,0]=3 3624 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,1,0|1,0,0]=3 3625 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,1,0|1,0,0]=3 3626 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,1,0,0,1,0|1,0,0]=3 3627 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,1,0,0,1,0|1,0,0]=3 3628 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,1,0,0,1,0|1,0,0]=3 3629 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,1,0,0,1,0|1,0,0]=3 3630 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,1,0,0,1,0|1,0,0]=3 3631 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,1,0,0,1,0|1,0,0]=3 3632 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,1,0,0,1,0|1,0,0]=3 3633 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,1,0,0,1,0|1,0,0]=3 3634 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,1,0,0,1,0|1,0,0]=3 3635 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,1,0,0,1,0|1,0,0]=3 3636 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,1,0,0,1,0|1,0,0]=3 3637 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,1,0,0,1,0|1,0,0]=3 3638 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,1,0,0,1,0|2,0,0]=4 3639 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,1,0,0,1,0|2,0,0]=4 3640 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,1,0,0,1,0|2,0,0]=4 3641 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,1,0,0,1,0|2,0,0]=4 3642 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,1,0,0,1,0|2,0,0]=4 3643 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [0,1,0,0,1,0|2,0,0]=4 3644 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [0,1,0,0,1,0|2,0,0]=4 3645 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,1,0,0,1,0|2,0,0]=4 3646 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,1,0,0,1,0|2,0,0]=4 3647 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,1,0,0,1,0|2,0,0]=4 3648 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,1,0,0,1,0|2,0,0]=4 3649 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,1,0,0,1,0|2,0,0]=4 3650 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,1,0,0,1,0|2,0,0]=4 3651 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,1,0,0,1,0|2,0,0]=4 3652 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,1,0,0,1,0|2,0,0]=4 3653 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,1,0,0,1,0|2,0,0]=4 3654 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [0,1,0,0,1,0|2,0,0]=4 3655 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,1,0,0,1,0|2,0,0]=4 3656 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,1,0,0,1,0|2,0,0]=4 3657 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,1,0,0,1,0|2,0,0]=4 3658 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,1,0,0,1,0|2,0,0]=4 3659 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,1,0,0,1,0|2,0,0]=4 3660 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,1,0,0,1,0|2,0,0]=4 3661 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,1,0,0,1,0|2,0,0]=4 3662 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,1,0,0,1,0|2,0,0]=4 3663 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,1,0,0,1,0|2,0,0]=4 3664 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,1,0,0,1,0|2,0,0]=4 3665 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,1,0,0,1,0|2,0,0]=4 3666 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,1,0,0,1,0|2,0,0]=4 3667 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,1,0,0,1,0|2,0,0]=4 3668 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,1,0,0,1,0|2,0,0]=4 3669 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,1,0,0,1,0|2,0,0]=4 3670 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,1,0,0,1,0|2,0,0]=4 3671 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,1,0,0,1,0|2,0,0]=4 3672 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,1,0,0,1,0|2,0,0]=4 3673 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,1,0,0,1,0|2,0,0]=4 3674 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,1,0,0,1,0|1,0,0]=3 3675 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,1,0,0,1,0|2,0,0]=4 3676 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,1,0,0,1,0|1,0,0]=3 3677 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,1,0,0,1,0|2,0,0]=4 3678 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,1,0,0,1,0|1,0,0]=3 3679 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,1,0,0,1,0|2,0,0]=4 3680 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,1,0,0,1,0|1,0,0]=3 3681 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,1,0,0,1,0|1,0,0]=3 3682 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,1,0,0,1,0|1,0,0]=3 3683 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,1,0,0,1,0|1,0,0]=3 3684 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,1,0,0,1,0|1,0,0]=3 3685 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,1,0,0,1,0|2,0,0]=4 3686 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,1,0,0,1,0|2,0,0]=4 3687 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,1,0,0,1,0|2,0,0]=4 3688 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [0,1,0,0,1,0|2,0,0]=4 3689 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [0,1,0,0,1,0|2,0,0]=4 3690 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,1,0,0,1,0|2,0,0]=4 3691 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [0,1,0,0,1,0|2,0,0]=4 3692 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,1,0,0,1,0|1,0,0]=3 3693 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,1,0,0,1,0|1,0,0]=3 3694 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,1,0,0,1,0|1,0,0]=3 3695 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,1,0,0,1,0|1,0,0]=3 3696 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,1,0,0,1,0|1,0,0]=3 3697 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,1,0,0,1,0|1,0,0]=3 3698 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,1,0,0,1,0|1,0,0]=3 3699 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,1,0,0,1,0|1,0,0]=3 3700 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,1,0,0,1,0|1,0,0]=3 3701 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,1,0,0,1,0|1,0,0]=3 3702 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,1,0,0,1,0|1,0,0]=3 3703 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,1,0,0,1,0|1,0,0]=3 3704 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,1,0,0,1,0|1,0,0]=3 3705 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,1,0,0,1,0|2,0,0]=4 3706 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,1,0,0,1,0|2,0,0]=4 3707 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,1,0,0,1,0|2,0,0]=4 3708 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,1,0,0,1,0|2,0,0]=4 3709 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,1,0,0,1,0|2,0,0]=4 3710 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,1,0,0,1,0|2,0,0]=4 3711 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,1,0,0,1,0|2,0,0]=4 3712 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,1,0,0,1,0|2,0,0]=4 3713 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [0,1,0,0,1,0|2,0,0]=4 3714 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [0,1,0,0,1,0|2,0,0]=4 3715 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [0,1,0,0,1,0|2,0,0]=4 3716 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [0,1,0,0,1,0|2,0,0]=4 3717 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [0,1,0,0,1,0|2,0,0]=4 3718 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [0,1,0,0,1,0|2,0,0]=4 3719 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,1,0,0,1,0|2,0,0]=4 3720 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [0,1,0,0,1,0|2,0,0]=4 3721 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [0,1,0,0,1,0|2,0,0]=4 3722 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [0,1,0,0,1,0|2,0,0]=4 3723 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,1,0,0,1,0|2,0,0]=4 3724 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,1,0,0,1,0|2,0,0]=4 3725 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,1,0,0,1,0|2,0,0]=4 3726 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,1,0,0,1,0|2,0,0]=4 3727 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,1,0,0,1,0|2,0,0]=4 3728 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,1,0,0,1,0|2,0,0]=4 3729 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,1,0,0,1,0|2,0,0]=4 3730 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,1,0,0,1,0|2,0,0]=4 3731 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,1,0,0,1,0|2,0,0]=4 3732 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,1,0,0,1,0|2,0,0]=4 3733 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,1,0,0,1,0|2,0,0]=4 3734 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,1,0,0,1,0|2,0,0]=4 3735 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,1,0,0,1,0|2,0,0]=4 3736 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,1,0,0,1,0|2,0,0]=4 3737 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,1,0,0,1,0|2,0,0]=4 3738 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,1,0,0,1,0|2,0,0]=4 3739 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,1,0,0,1,0|2,0,0]=4 3740 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,1,0,0,1,0|2,0,0]=4 3741 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,1,0,0,1,0|2,0,0]=4 3742 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,1,0,0,1,0|2,0,0]=4 3743 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,1,0,0,1,0|2,0,0]=4 3744 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,1,0,0,1,0|2,0,0]=4 3745 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,1,0,0,1,0|2,0,0]=4 3746 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,1,0,0,1,0|1,0,0]=3 3747 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,1,0,0,1,0|1,0,0]=3 3748 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,1,0,0,1,0|2,0,0]=4 3749 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,1,0,0,1,0|1,0,0]=3 3750 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [0,1,0,0,1,0|2,0,0]=4 3751 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,1,0,0,1,0|1,0,0]=3 3752 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,1,0,0,1,0|1,0,0]=3 3753 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,1,0,0,1,0|1,0,0]=3 3754 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,1,0,0,1,0|1,0,0]=3 3755 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,1,0,0,1,0|1,0,0]=3 3756 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,1,0,0,1,0|2,0,0]=4 3757 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,1,0,0,1,0|2,0,0]=4 3758 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,1,0,0,1,0|2,0,0]=4 3759 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [0,1,0,0,1,0|2,0,0]=4 3760 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [0,1,0,0,1,0|2,0,0]=4 3761 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [0,1,0,0,1,0|2,0,0]=4 3762 B11R1.25 CCC(=O)COc1ccsc1 7a_100000106738_100000747405 [0,1,0,0,1,0|2,0,0]=4 3763 B11R1.25 CNC(=O)COc1ccsc1 34a_100000106738_100000183359 [0,1,0,0,1,0|2,0,0]=4 3764 B11R1.25 CNC(=O)COc1ccsc1 7a_100000106738_100000183359 [0,1,0,0,1,0|2,0,0]=4 3765 B11R1.25 COC(=O)COc1ccsc1 34a_100000106738_100000747449 [0,1,0,0,1,0|1,0,0]=3 3766 B11R1.25 COC(=O)COc1ccsc1 7a_100000106738_100000747449 [0,1,0,0,1,0|1,0,0]=3 3767 B11R1.25 COC(=O)CSc1ccco1 62a_100000747449_100009814098 [0,1,0,0,1,0|1,1,0]=4 3768 B11R1.25 COC(=O)CSc1ccco1 62a_100009814098_100000747449 [0,1,0,0,1,0|1,1,0]=4 3769 B11R1.25 COC(=O)CSc1cccs1 62a_100000747449_100011215356 [0,1,0,0,1,0|1,1,0]=4 3770 B11R1.25 COC(=O)CSc1cccs1 62a_100011215356_100000747449 [0,1,0,0,1,0|1,1,0]=4 3771 B11R1.25 COC(=O)CSc1ccoc1 62a_100000747449_100011215275 [0,1,0,0,1,0|1,1,0]=4 3772 B11R1.25 COC(=O)CSc1ccoc1 62a_100011215275_100000747449 [0,1,0,0,1,0|1,1,0]=4 3773 B11R1.25 COC(=O)CSc1ccsc1 62a_100000738268_100000747449 [0,1,0,0,1,0|1,1,0]=4 3774 B11R1.25 COC(=O)CSc1ccsc1 62a_100000747449_100000738268 [0,1,0,0,1,0|1,1,0]=4 3775 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [0,1,0,0,1,0|2,0,0]=4 3776 B11R1.25 O=C(CO)CCn1cccc1 1458a_100000210174_200000035178 [0,1,0,0,1,0|2,0,0]=4 3777 B11R1.35 CC(=O)C(C)Oc1ccsc1 7a_100000106738_100000179758 [0,1,0,0,1,0|2,0,0]=4 3778 B11R1.35 CC(Oc1ccsc1)C(=O)N 34a_100000106738_100000702099 [0,1,0,0,1,0|2,0,0]=4 3779 B11R1.35 CC(Oc1ccsc1)C(=O)N 7a_100000106738_100000702099 [0,1,0,0,1,0|2,0,0]=4 3780 B11R1.35 NC(=O)C(F)Oc1ccsc1 34a_100000106738_100009813875 [0,1,0,0,1,0|2,0,0]=4 3781 B11R1.35 NC(=O)C(F)Oc1ccsc1 7a_100000106738_100009813875 [0,1,0,0,1,0|2,0,0]=4 3782 B11R1.35 O=C([O-])C(F)Oc1ccsc1 34a_100000106738_100020610796 [0,1,0,0,1,0|1,0,1]=4 3783 B13R1.45 C=C(C)COC(C)c1ccccc1 34a_100000210245_100000211855 [0,1,0,0,0,1|2,0,0]=4 3784 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 34a_100000761318_100000748629 [0,1,0,0,0,1|2,0,0]=4 3785 B13R1.45 C=C(C)CO[C@H](C)c1ccccc1 7a_100000761318_100000748629 [0,1,0,0,0,1|2,0,0]=4 3786 B13R1.45 C=C(F)COC(C)c1ccccc1 34a_200010262243_100000211855 [0,1,0,0,0,1|2,0,0]=4 3787 B13R1.45 C=C(F)CO[C@H](C)c1ccccc1 34a_100000761318_100009893438 [0,1,0,0,0,1|2,0,0]=4 3788 B13R1.45 C=C(F)CO[C@H](C)c1ccccc1 7a_100000761318_100000042424 [0,1,0,0,0,1|2,0,0]=4 3789 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [0,1,0,0,0,1|2,0,0]=4 3790 B13R1.45 CC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000053229 [0,1,0,0,0,1|2,0,0]=4 3791 B13R1.45 CC(=O)CC[C@@H](O)c1ccccc1 1458a_100000070787_100000729684 [0,1,0,0,0,1|2,0,0]=4 3792 B13R1.45 CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_200000210301 [0,1,0,0,0,1|2,0,0]=4 3793 B13R1.45 CC(=O)COC(=O)c1ccccc1 1458a_100000070787_100000073877 [0,1,0,0,0,1|1,0,0]=3 3794 B13R1.45 CC(=O)COC(C)c1ccccc1 34a_100000211253_100000211855 [0,1,0,0,0,1|1,0,0]=3 3795 B13R1.45 CC(=O)CSC(=S)c1ccccc1 1458a_100000043459_200000210301 [0,1,0,0,0,1|1,1,0]=4 3796 B13R1.45 CC(=O)NCC(C)c1ccccc1 11a_100000701038_100015343762 [0,1,0,0,0,1|2,0,0]=4 3797 B13R1.45 CC(=O)NCC(C)c1ccccc1 1626a_100000701038_100015343762 [0,1,0,0,0,1|2,0,0]=4 3798 B13R1.45 CC(=O)NCC(C)c1ccccc1 240690a_100000701038_100015343762 [0,1,0,0,0,1|2,0,0]=4 3799 B13R1.45 CC(=O)NCC(C)c1ccccc1 527a_100000701038_100103153847 [0,1,0,0,0,1|2,0,0]=4 3800 B13R1.45 CC(=O)NCC(O)c1ccccc1 240690a_100000210709_100015343762 [0,1,0,0,0,1|2,0,0]=4 3801 B13R1.45 CC(=O)NCC(O)c1ccccc1 527a_100000210709_100103153847 [0,1,0,0,0,1|2,0,0]=4 3802 B13R1.45 CC(=O)OCN(C)c1ccccc1 269982a_100000210012_100000076356 [0,1,0,0,0,1|2,0,0]=4 3803 B13R1.45 CC(=O)OCN(C)c1ccccc1 34a_100000210012_100009813279 [0,1,0,0,0,1|2,0,0]=4 3804 B13R1.45 CC(NCC(=O)N)c1ccccc1 2230a_100000711301_100000230085 [0,1,0,0,0,1|2,0,0]=4 3805 B13R1.45 CC(NCC(=O)O)c1ccccc1 269956a_100016091260_100000211855 [0,1,0,0,0,1|1,0,0]=3 3806 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 34a_100000761318_100011218427 [0,1,0,0,0,1|1,0,1]=4 3807 B13R1.45 CC(O)CO[C@H](C)c1ccccc1 7a_100000761318_100011218427 [0,1,0,0,0,1|1,0,1]=4 3808 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000230085_100000747473 [0,1,0,0,0,1|1,1,0]=4 3809 B13R1.45 CC(SCC(=O)N)c1ccccc1 62a_100000747473_100000230085 [0,1,0,0,0,1|1,1,0]=4 3810 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100000230085_100020667443 [0,1,0,0,0,1|0,1,1]=4 3811 B13R1.45 CC(SCC(=O)[O-])c1ccccc1 62a_100020667443_100000230085 [0,1,0,0,0,1|0,1,1]=4 3812 B13R1.45 CN(CCC(=O)N)c1ccccc1 2230a_100000210012_100000744528 [0,1,0,0,0,1|2,0,0]=4 3813 B13R1.45 CN(CCC(=O)N)c1ccccc1 269982a_100000210012_100000744528 [0,1,0,0,0,1|2,0,0]=4 3814 B13R1.45 CN(CCC(=O)N)c1ccccc1 34a_100000210012_100000731001 [0,1,0,0,0,1|2,0,0]=4 3815 B13R1.45 C[C@@H](NCC(=O)N)c1ccccc1 2230a_100000751104_100000747473 [0,1,0,0,0,1|2,0,0]=4 3816 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 34a_100000761318_100009817552 [0,1,0,0,0,1|1,0,1]=4 3817 B13R1.45 C[C@@H](O)CO[C@H](C)c1ccccc1 7a_100000761318_100009817552 [0,1,0,0,0,1|1,0,1]=4 3818 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 34a_100000761318_100000187820 [0,1,0,0,0,1|1,0,0]=3 3819 B13R1.45 C[C@@H](OCC(=O)N)c1ccccc1 7a_100000761318_100000187820 [0,1,0,0,0,1|1,0,0]=3 3820 B13R1.45 C[C@@H](OCC(=O)[O-])c1ccccc1 34a_100000761318_100020667443 [0,1,0,0,0,1|0,0,1]=3 3821 B13R1.45 C[C@@H](OC[N+](=O)[O-])c1ccccc1 34a_100000761318_100000761209 [0,1,0,0,0,1|1,0,1]=4 3822 B13R1.45 NC(=O)CNC(=O)c1ccccc1 11a_100000711301_100000185807 [0,1,0,0,0,1|2,0,0]=4 3823 B13R1.45 NC(=O)CNC(=O)c1ccccc1 240690a_100000711301_100000185807 [0,1,0,0,0,1|2,0,0]=4 3824 B13R1.45 NC(=O)CNC(=O)c1ccccc1 527a_100000711301_100000185807 [0,1,0,0,0,1|2,0,0]=4 3825 B13R1.45 [13CH3]C(=O)CNC(=O)c1ccccc1 1458a_100000182045_200025704644 [0,1,0,0,0,1|2,0,0]=4 3826 B13R1.45 [13CH3]C(=O)CSC(=S)c1ccccc1 1458a_100000043459_200025704644 [0,1,0,0,0,1|1,1,0]=4 3827 B13R1.149 C=C(C)CCOc1cccc(c1)Br 34a_100000210342_100000730704 [0,1,0,0,0,1|2,0,0]=4 3828 B13R1.149 C=C(C)CCOc1cccc(c1)Br 7a_100000210342_100000730704 [0,1,0,0,0,1|2,0,0]=4 3829 B13R1.149 C=C(C)CCOc1cccc(c1)C 34a_100000210337_100000730704 [0,1,0,0,0,1|2,0,0]=4 3830 B13R1.149 C=C(C)CCOc1cccc(c1)C 7a_100000210337_100000730704 [0,1,0,0,0,1|2,0,0]=4 3831 B13R1.149 C=C(C)CCOc1cccc(c1)Cl 34a_100000210295_100000730704 [0,1,0,0,0,1|2,0,0]=4 3832 B13R1.149 C=C(C)CCOc1cccc(c1)Cl 7a_100000210295_100000730704 [0,1,0,0,0,1|2,0,0]=4 3833 B13R1.149 C=C(C)CCOc1cccc(c1)F 34a_100000210426_100000730704 [0,1,0,0,0,1|2,0,0]=4 3834 B13R1.149 C=C(C)CCOc1cccc(c1)F 7a_100000210426_100000730704 [0,1,0,0,0,1|2,0,0]=4 3835 B13R1.149 C=C(C)CCOc1cccc(c1)I 34a_100000211634_100000730704 [0,1,0,0,0,1|2,0,0]=4 3836 B13R1.149 C=C(C)CCOc1cccc(c1)I 7a_100000211634_100000730704 [0,1,0,0,0,1|2,0,0]=4 3837 B13R1.149 C=C(C)CCOc1cccc(c1)N 34a_100000210217_100000730704 [0,1,0,0,0,1|2,0,0]=4 3838 B13R1.149 C=C(C)COCc1cccc(c1)Br 34a_100000210245_100000698116 [0,1,0,0,0,1|2,0,0]=4 3839 B13R1.149 C=C(C)COCc1cccc(c1)Br 34a_100000687537_100000748629 [0,1,0,0,0,1|2,0,0]=4 3840 B13R1.149 C=C(C)COCc1cccc(c1)Br 7a_100000687537_100000748629 [0,1,0,0,0,1|2,0,0]=4 3841 B13R1.149 C=C(C)COCc1cccc(c1)C 34a_100000210245_100000211840 [0,1,0,0,0,1|2,0,0]=4 3842 B13R1.149 C=C(C)COCc1cccc(c1)C 34a_100011217746_100000748629 [0,1,0,0,0,1|2,0,0]=4 3843 B13R1.149 C=C(C)COCc1cccc(c1)C 7a_100011217746_100000748629 [0,1,0,0,0,1|2,0,0]=4 3844 B13R1.149 C=C(C)COCc1cccc(c1)Cl 34a_100000210245_100000187163 [0,1,0,0,0,1|2,0,0]=4 3845 B13R1.149 C=C(C)COCc1cccc(c1)Cl 34a_100000241301_100000748629 [0,1,0,0,0,1|2,0,0]=4 3846 B13R1.149 C=C(C)COCc1cccc(c1)Cl 7a_100000241301_100000748629 [0,1,0,0,0,1|2,0,0]=4 3847 B13R1.149 C=C(C)COCc1cccc(c1)F 34a_100000210245_100000187166 [0,1,0,0,0,1|2,0,0]=4 3848 B13R1.149 C=C(C)COCc1cccc(c1)F 34a_100000210976_100000748629 [0,1,0,0,0,1|2,0,0]=4 3849 B13R1.149 C=C(C)COCc1cccc(c1)F 7a_100000210976_100000748629 [0,1,0,0,0,1|2,0,0]=4 3850 B13R1.149 C=C(C)COCc1cccc(c1)I 34a_100000210245_100011218688 [0,1,0,0,0,1|2,0,0]=4 3851 B13R1.149 C=C(C)COCc1cccc(c1)I 34a_100011215336_100000748629 [0,1,0,0,0,1|2,0,0]=4 3852 B13R1.149 C=C(C)COCc1cccc(c1)I 7a_100011215336_100000748629 [0,1,0,0,0,1|2,0,0]=4 3853 B13R1.149 C=C(C)COCc1cccc(c1)N 34a_100000211919_100000748629 [0,1,0,0,0,1|2,0,0]=4 3854 B13R1.149 C=C(C)COCc1cccc(c1)O 34a_100000210245_100011660834 [0,1,0,0,0,1|2,0,0]=4 3855 B13R1.149 C=C(F)COCc1cccc(c1)Br 34a_100000687537_100009893438 [0,1,0,0,0,1|2,0,0]=4 3856 B13R1.149 C=C(F)COCc1cccc(c1)Br 34a_200010262243_100000698116 [0,1,0,0,0,1|2,0,0]=4 3857 B13R1.149 C=C(F)COCc1cccc(c1)Br 7a_100000687537_100000042424 [0,1,0,0,0,1|2,0,0]=4 3858 B13R1.149 C=C(F)COCc1cccc(c1)C 34a_100011217746_100009893438 [0,1,0,0,0,1|2,0,0]=4 3859 B13R1.149 C=C(F)COCc1cccc(c1)C 34a_200010262243_100000211840 [0,1,0,0,0,1|2,0,0]=4 3860 B13R1.149 C=C(F)COCc1cccc(c1)C 7a_100011217746_100000042424 [0,1,0,0,0,1|2,0,0]=4 3861 B13R1.149 C=C(F)COCc1cccc(c1)Cl 34a_100000241301_100009893438 [0,1,0,0,0,1|2,0,0]=4 3862 B13R1.149 C=C(F)COCc1cccc(c1)Cl 34a_200010262243_100000187163 [0,1,0,0,0,1|2,0,0]=4 3863 B13R1.149 C=C(F)COCc1cccc(c1)Cl 7a_100000241301_100000042424 [0,1,0,0,0,1|2,0,0]=4 3864 B13R1.149 C=C(F)COCc1cccc(c1)F 34a_100000210976_100009893438 [0,1,0,0,0,1|2,0,0]=4 3865 B13R1.149 C=C(F)COCc1cccc(c1)F 34a_200010262243_100000187166 [0,1,0,0,0,1|2,0,0]=4 3866 B13R1.149 C=C(F)COCc1cccc(c1)F 7a_100000210976_100000042424 [0,1,0,0,0,1|2,0,0]=4 3867 B13R1.149 C=C(F)COCc1cccc(c1)I 34a_100011215336_100009893438 [0,1,0,0,0,1|2,0,0]=4 3868 B13R1.149 C=C(F)COCc1cccc(c1)I 34a_200010262243_100011218688 [0,1,0,0,0,1|2,0,0]=4 3869 B13R1.149 C=C(F)COCc1cccc(c1)I 7a_100011215336_100000042424 [0,1,0,0,0,1|2,0,0]=4 3870 B13R1.149 C=C(F)COCc1cccc(c1)N 34a_100000211919_100009893438 [0,1,0,0,0,1|2,0,0]=4 3871 B13R1.149 C=C(F)COCc1cccc(c1)O 34a_200010262243_100011660834 [0,1,0,0,0,1|2,0,0]=4 3872 B13R1.149 CC(=CCOc1cccc(c1)Br)C 34a_100000210342_100000761012 [0,1,0,0,0,1|2,0,0]=4 3873 B13R1.149 CC(=CCOc1cccc(c1)Br)C 7a_100000210342_100000761012 [0,1,0,0,0,1|2,0,0]=4 3874 B13R1.149 CC(=CCOc1cccc(c1)C)C 34a_100000210337_100000761012 [0,1,0,0,0,1|2,0,0]=4 3875 B13R1.149 CC(=CCOc1cccc(c1)C)C 7a_100000210337_100000761012 [0,1,0,0,0,1|2,0,0]=4 3876 B13R1.149 CC(=CCOc1cccc(c1)Cl)C 34a_100000210295_100000761012 [0,1,0,0,0,1|2,0,0]=4 3877 B13R1.149 CC(=CCOc1cccc(c1)Cl)C 7a_100000210295_100000761012 [0,1,0,0,0,1|2,0,0]=4 3878 B13R1.149 CC(=CCOc1cccc(c1)F)C 34a_100000210426_100000761012 [0,1,0,0,0,1|2,0,0]=4 3879 B13R1.149 CC(=CCOc1cccc(c1)F)C 7a_100000210426_100000761012 [0,1,0,0,0,1|2,0,0]=4 3880 B13R1.149 CC(=CCOc1cccc(c1)I)C 34a_100000211634_100000761012 [0,1,0,0,0,1|2,0,0]=4 3881 B13R1.149 CC(=CCOc1cccc(c1)I)C 7a_100000211634_100000761012 [0,1,0,0,0,1|2,0,0]=4 3882 B13R1.149 CC(=CCOc1cccc(c1)N)C 34a_100000210217_100000761012 [0,1,0,0,0,1|2,0,0]=4 3883 B13R1.149 CC(=O)CC#Cc1cccc(c1)Br 1458a_100000070787_100010706776 [0,1,0,0,0,1|2,0,0]=4 3884 B13R1.149 CC(=O)CC#Cc1cccc(c1)F 1458a_100000070787_100010402994 [0,1,0,0,0,1|2,0,0]=4 3885 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000070787_100011713683 [0,1,0,0,0,1|2,0,0]=4 3886 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000685939_200000210301 [0,1,0,0,0,1|2,0,0]=4 3887 B13R1.149 CC(=O)CCCc1cccc(c1)F 1458a_100000070787_200000698031 [0,1,0,0,0,1|2,0,0]=4 3888 B13R1.149 CC(=O)CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000053229 [0,1,0,0,0,1|2,0,0]=4 3889 B13R1.149 CC(=O)CCOc1cccc(c1)Br 1458a_100000070787_100000183150 [0,1,0,0,0,1|1,0,0]=3 3890 B13R1.149 CC(=O)CCOc1cccc(c1)Br 1458a_100000183437_200000210301 [0,1,0,0,0,1|1,0,0]=3 3891 B13R1.149 CC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000053229 [0,1,0,0,0,1|1,0,0]=3 3892 B13R1.149 CC(=O)CCOc1cccc(c1)C 1458a_100000182325_200000210301 [0,1,0,0,0,1|1,0,0]=3 3893 B13R1.149 CC(=O)CCOc1cccc(c1)C 7a_100000210337_100000053229 [0,1,0,0,0,1|1,0,0]=3 3894 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 1458a_100000070787_100000181161 [0,1,0,0,0,1|1,0,0]=3 3895 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 1458a_100000738917_200000210301 [0,1,0,0,0,1|1,0,0]=3 3896 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000053229 [0,1,0,0,0,1|1,0,0]=3 3897 B13R1.149 CC(=O)CCOc1cccc(c1)F 1458a_100000070787_100000739188 [0,1,0,0,0,1|1,0,0]=3 3898 B13R1.149 CC(=O)CCOc1cccc(c1)F 1458a_100000737089_200000210301 [0,1,0,0,0,1|1,0,0]=3 3899 B13R1.149 CC(=O)CCOc1cccc(c1)F 7a_100000210426_100000053229 [0,1,0,0,0,1|1,0,0]=3 3900 B13R1.149 CC(=O)CCOc1cccc(c1)I 7a_100000211634_100000053229 [0,1,0,0,0,1|1,0,0]=3 3901 B13R1.149 CC(=O)CCOc1cncc(c1)Br 7a_100000754920_100000053229 [0,1,0,0,0,1|2,0,0]=4 3902 B13R1.149 CC(=O)CCOc1cncc(c1)C 7a_100011830280_100000053229 [0,1,0,0,0,1|2,0,0]=4 3903 B13R1.149 CC(=O)CCOc1cncc(c1)Cl 7a_100000032511_100000053229 [0,1,0,0,0,1|2,0,0]=4 3904 B13R1.149 CC(=O)CCOc1cncc(c1)F 7a_100011830296_100000053229 [0,1,0,0,0,1|2,0,0]=4 3905 B13R1.149 CC(=O)CCSc1cccc(c1)Br 62a_100000053229_100000691529 [0,1,0,0,0,1|1,1,0]=4 3906 B13R1.149 CC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000053229 [0,1,0,0,0,1|1,1,0]=4 3907 B13R1.149 CC(=O)CCSc1cccc(c1)C 62a_100000053229_100011215228 [0,1,0,0,0,1|1,1,0]=4 3908 B13R1.149 CC(=O)CCSc1cccc(c1)C 62a_100011215228_100000053229 [0,1,0,0,0,1|1,1,0]=4 3909 B13R1.149 CC(=O)CCSc1cccc(c1)Cl 62a_100000053229_100000699651 [0,1,0,0,0,1|1,1,0]=4 3910 B13R1.149 CC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000053229 [0,1,0,0,0,1|1,1,0]=4 3911 B13R1.149 CC(=O)CCSc1cccc(c1)F 62a_100000053229_100000685547 [0,1,0,0,0,1|1,1,0]=4 3912 B13R1.149 CC(=O)CCSc1cccc(c1)F 62a_100000685547_100000053229 [0,1,0,0,0,1|1,1,0]=4 3913 B13R1.149 CC(=O)CCSc1cccc(c1)N 62a_100000053229_100000210019 [0,1,0,0,0,1|1,1,0]=4 3914 B13R1.149 CC(=O)CCSc1cccc(c1)N 62a_100000210019_100000053229 [0,1,0,0,0,1|1,1,0]=4 3915 B13R1.149 CC(=O)CCSc1cccc(c1)O 62a_100000053229_100000211634 [0,1,0,0,0,1|1,1,0]=4 3916 B13R1.149 CC(=O)CCSc1cccc(c1)[S] 62a_100000053229_114929384022 [0,1,0,0,0,1|1,1,0]=4 3917 B13R1.149 CC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000053229 [0,1,0,0,0,1|1,1,0]=4 3918 B13R1.149 CC(=O)COCc1cc(ccn1)Br 34a_100000211253_100010173614 [0,1,0,0,0,1|2,0,0]=4 3919 B13R1.149 CC(=O)COCc1cc(ccn1)C 34a_100000211253_100000718516 [0,1,0,0,0,1|2,0,0]=4 3920 B13R1.149 CC(=O)COCc1cc(ccn1)Cl 34a_100000211253_100016988179 [0,1,0,0,0,1|2,0,0]=4 3921 B13R1.149 CC(=O)COCc1cccc(c1)Br 34a_100000211253_100000698116 [0,1,0,0,0,1|1,0,0]=3 3922 B13R1.149 CC(=O)COCc1cccc(c1)C 34a_100000211253_100000211840 [0,1,0,0,0,1|1,0,0]=3 3923 B13R1.149 CC(=O)COCc1cccc(c1)Cl 34a_100000211253_100000187163 [0,1,0,0,0,1|1,0,0]=3 3924 B13R1.149 CC(=O)COCc1cccc(c1)F 34a_100000211253_100000187166 [0,1,0,0,0,1|1,0,0]=3 3925 B13R1.149 CC(=O)COCc1cccc(c1)I 34a_100000211253_100011218688 [0,1,0,0,0,1|1,0,0]=3 3926 B13R1.149 CC(=O)COCc1cccc(c1)O 34a_100000211253_100011660834 [0,1,0,0,0,1|1,0,0]=3 3927 B13R1.149 CC(=O)COCc1cccc(n1)Br 34a_100000211253_100009889011 [0,1,0,0,0,1|2,0,0]=4 3928 B13R1.149 CC(=O)COCc1cccc(n1)C 34a_100000211253_100000757606 [0,1,0,0,0,1|2,0,0]=4 3929 B13R1.149 CC(=O)COCc1cccc(n1)Cl 34a_100000211253_100000086093 [0,1,0,0,0,1|2,0,0]=4 3930 B13R1.149 CC(=O)COCc1cccc(n1)F 34a_100000211253_100009819644 [0,1,0,0,0,1|2,0,0]=4 3931 B13R1.149 CC(=O)COCc1ccnc(c1)Br 34a_100000211253_100010243470 [0,1,0,0,0,1|2,0,0]=4 3932 B13R1.149 CC(=O)COCc1ccnc(c1)C 34a_100000211253_200020672517 [0,1,0,0,0,1|2,0,0]=4 3933 B13R1.149 CC(=O)COCc1ccnc(c1)Cl 34a_100000211253_100000764220 [0,1,0,0,0,1|2,0,0]=4 3934 B13R1.149 CC(=O)COCc1cncc(c1)Br 34a_100000211253_100000738771 [0,1,0,0,0,1|2,0,0]=4 3935 B13R1.149 CC(=O)COCc1cncc(c1)C 34a_100000211253_100000716715 [0,1,0,0,0,1|2,0,0]=4 3936 B13R1.149 CC(=O)COCc1cncc(c1)Cl 34a_100000211253_100016992070 [0,1,0,0,0,1|2,0,0]=4 3937 B13R1.149 CC(=O)COCc1cncc(c1)F 34a_100000211253_100000725299 [0,1,0,0,0,1|2,0,0]=4 3938 B13R1.149 CC(=O)CSCc1cccc(c1)Cl 1458a_100000150269_200000210301 [0,1,0,0,0,1|1,1,0]=4 3939 B13R1.149 CC(=O)NCCc1cccc(c1)Br 11a_100011207229_100015343762 [0,1,0,0,0,1|2,0,0]=4 3940 B13R1.149 CC(=O)NCCc1cccc(c1)Br 1626a_100011207229_100015343762 [0,1,0,0,0,1|2,0,0]=4 3941 B13R1.149 CC(=O)NCCc1cccc(c1)Br 240690a_100011207229_100015343762 [0,1,0,0,0,1|2,0,0]=4 3942 B13R1.149 CC(=O)NCCc1cccc(c1)Br 527a_100011207229_100103153847 [0,1,0,0,0,1|2,0,0]=4 3943 B13R1.149 CC(=O)NCCc1cccc(c1)C 11a_100000749837_100015343762 [0,1,0,0,0,1|2,0,0]=4 3944 B13R1.149 CC(=O)NCCc1cccc(c1)C 1626a_100000749837_100015343762 [0,1,0,0,0,1|2,0,0]=4 3945 B13R1.149 CC(=O)NCCc1cccc(c1)C 240690a_100000749837_100015343762 [0,1,0,0,0,1|2,0,0]=4 3946 B13R1.149 CC(=O)NCCc1cccc(c1)C 527a_100000749837_100103153847 [0,1,0,0,0,1|2,0,0]=4 3947 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 11a_100000185263_100015343762 [0,1,0,0,0,1|2,0,0]=4 3948 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 1626a_100000185263_100015343762 [0,1,0,0,0,1|2,0,0]=4 3949 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 240690a_100000185263_100015343762 [0,1,0,0,0,1|2,0,0]=4 3950 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 527a_100000185263_100103153847 [0,1,0,0,0,1|2,0,0]=4 3951 B13R1.149 CC(=O)NCCc1cccc(c1)F 11a_100000205154_100015343762 [0,1,0,0,0,1|2,0,0]=4 3952 B13R1.149 CC(=O)NCCc1cccc(c1)F 1626a_100000205154_100015343762 [0,1,0,0,0,1|2,0,0]=4 3953 B13R1.149 CC(=O)NCCc1cccc(c1)F 240690a_100000205154_100015343762 [0,1,0,0,0,1|2,0,0]=4 3954 B13R1.149 CC(=O)NCCc1cccc(c1)F 527a_100000205154_100103153847 [0,1,0,0,0,1|2,0,0]=4 3955 B13R1.149 CC(=O)NCCc1cccc(c1)O 240690a_100000747277_100015343762 [0,1,0,0,0,1|2,0,0]=4 3956 B13R1.149 CC(=O)NCCc1cccc(c1)O 527a_100000747277_100103153847 [0,1,0,0,0,1|2,0,0]=4 3957 B13R1.149 CC(=O)OCNc1cccc(c1)Br 34a_100000210019_100009813279 [0,1,0,0,0,1|2,0,0]=4 3958 B13R1.149 CC(=O)OCNc1cccc(c1)C 34a_100000188690_100009813279 [0,1,0,0,0,1|2,0,0]=4 3959 B13R1.149 CC(=O)OCNc1cccc(c1)Cl 34a_100000185859_100009813279 [0,1,0,0,0,1|2,0,0]=4 3960 B13R1.149 CC(=O)OCNc1cccc(c1)F 34a_100000210047_100009813279 [0,1,0,0,0,1|2,0,0]=4 3961 B13R1.149 CC(=O)OCNc1cccc(c1)I 34a_100000211102_100009813279 [0,1,0,0,0,1|2,0,0]=4 3962 B13R1.149 CC(=O)OCNc1cccc(c1)O 34a_100000210217_100009813279 [0,1,0,0,0,1|2,0,0]=4 3963 B13R1.149 CC(=O)OCOc1cc[nH]c(=O)c1 34a_100000032262_100009813279 [0,1,0,0,0,1|2,0,0]=4 3964 B13R1.149 CC(=O)OCOc1ccc[n+](c1)[O-] 34a_100000039713_100009813279 [0,1,0,0,0,1|2,0,0]=4 3965 B13R1.149 CC(=O)OCOc1cccc(=O)[nH]1 34a_100000033347_100009813279 [0,1,0,0,0,1|2,0,0]=4 3966 B13R1.149 CC(=O)OCOc1cccc(c1)Br 34a_100000210342_100009813279 [0,1,0,0,0,1|1,0,0]=3 3967 B13R1.149 CC(=O)OCOc1cccc(c1)C 34a_100000210337_100009813279 [0,1,0,0,0,1|1,0,0]=3 3968 B13R1.149 CC(=O)OCOc1cccc(c1)Cl 34a_100000210295_100009813279 [0,1,0,0,0,1|1,0,0]=3 3969 B13R1.149 CC(=O)OCOc1cccc(c1)F 34a_100000210426_100009813279 [0,1,0,0,0,1|1,0,0]=3 3970 B13R1.149 CC(=O)OCOc1cccc(c1)I 34a_100000211634_100009813279 [0,1,0,0,0,1|1,0,0]=3 3971 B13R1.149 CC(=O)OCOc1cccc(c1)N 34a_100000210217_100009813279 [0,1,0,0,0,1|1,0,0]=3 3972 B13R1.149 CC(=O)OCOc1cccc(n1)F 34a_100011432558_100009813279 [0,1,0,0,0,1|2,0,0]=4 3973 B13R1.149 CC(=O)OCOc1ccnc(c1)C 34a_100000688365_100009813279 [0,1,0,0,0,1|2,0,0]=4 3974 B13R1.149 CC(=O)OCOc1ccnc(c1)Cl 34a_100000762945_100009813279 [0,1,0,0,0,1|2,0,0]=4 3975 B13R1.149 CC(=O)OCOc1ccnc(c1)F 34a_100000732698_100009813279 [0,1,0,0,0,1|2,0,0]=4 3976 B13R1.149 CC(=O)OCOc1ccnc(c1)N 34a_100011834064_100009813279 [0,1,0,0,0,1|2,0,0]=4 3977 B13R1.149 CC(=O)OCOc1cncc(c1)Br 34a_100000754920_100009813279 [0,1,0,0,0,1|2,0,0]=4 3978 B13R1.149 CC(=O)OCOc1cncc(c1)C 34a_100011830280_100009813279 [0,1,0,0,0,1|2,0,0]=4 3979 B13R1.149 CC(=O)OCOc1cncc(c1)F 34a_100011830296_100009813279 [0,1,0,0,0,1|2,0,0]=4 3980 B13R1.149 CC(=O)OCOc1cncc(c1)N 34a_100011997051_100009813279 [0,1,0,0,0,1|2,0,0]=4 3981 B13R1.149 CC(=O)OCSc1cccc(c1)Br 62a_100000076356_100000691529 [0,1,0,0,0,1|1,1,0]=4 3982 B13R1.149 CC(=O)OCSc1cccc(c1)Br 62a_100000691529_100000076356 [0,1,0,0,0,1|1,1,0]=4 3983 B13R1.149 CC(=O)OCSc1cccc(c1)C 62a_100000076356_100011215228 [0,1,0,0,0,1|1,1,0]=4 3984 B13R1.149 CC(=O)OCSc1cccc(c1)C 62a_100011215228_100000076356 [0,1,0,0,0,1|1,1,0]=4 3985 B13R1.149 CC(=O)OCSc1cccc(c1)Cl 62a_100000076356_100000699651 [0,1,0,0,0,1|1,1,0]=4 3986 B13R1.149 CC(=O)OCSc1cccc(c1)Cl 62a_100000699651_100000076356 [0,1,0,0,0,1|1,1,0]=4 3987 B13R1.149 CC(=O)OCSc1cccc(c1)F 62a_100000076356_100000685547 [0,1,0,0,0,1|1,1,0]=4 3988 B13R1.149 CC(=O)OCSc1cccc(c1)F 62a_100000685547_100000076356 [0,1,0,0,0,1|1,1,0]=4 3989 B13R1.149 CC(=O)OCSc1cccc(c1)N 62a_100000076356_100000210019 [0,1,0,0,0,1|1,1,0]=4 3990 B13R1.149 CC(=O)OCSc1cccc(c1)N 62a_100000210019_100000076356 [0,1,0,0,0,1|1,1,0]=4 3991 B13R1.149 CC(=O)OCSc1cccc(c1)O 62a_100000076356_100000211634 [0,1,0,0,0,1|1,1,0]=4 3992 B13R1.149 CC(=O)OCSc1cccc(c1)[S] 62a_100000076356_114929384022 [0,1,0,0,0,1|1,1,0]=4 3993 B13R1.149 CC(=O)OCSc1cccc(c1)[S] 62a_114929384022_100000076356 [0,1,0,0,0,1|1,1,0]=4 3994 B13R1.149 CC(O)CCOc1cccc(c1)Br 34a_100000210342_100012276601 [0,1,0,0,0,1|1,0,1]=4 3995 B13R1.149 CC(O)CCOc1cccc(c1)Br 7a_100000210342_100012276601 [0,1,0,0,0,1|1,0,1]=4 3996 B13R1.149 CC(O)CCOc1cccc(c1)Cl 34a_100000210295_100012276601 [0,1,0,0,0,1|1,0,1]=4 3997 B13R1.149 CC(O)CCOc1cccc(c1)Cl 7a_100000210295_100012276601 [0,1,0,0,0,1|1,0,1]=4 3998 B13R1.149 CC(O)CCOc1cccc(c1)F 34a_100000210426_100012276601 [0,1,0,0,0,1|1,0,1]=4 3999 B13R1.149 CC(O)CCOc1cccc(c1)F 7a_100000210426_100012276601 [0,1,0,0,0,1|1,0,1]=4 4000 B13R1.149 CC(O)CCOc1cccc(c1)I 34a_100000211634_100012276601 [0,1,0,0,0,1|1,0,1]=4 4001 B13R1.149 CC(O)CCOc1cccc(c1)I 7a_100000211634_100012276601 [0,1,0,0,0,1|1,0,1]=4 4002 B13R1.149 CC(O)CCOc1cccc(c1)N 34a_100000210217_100012276601 [0,1,0,0,0,1|1,0,1]=4 4003 B13R1.149 CC(O)COCc1cccc(c1)Br 34a_100000687537_100011218427 [0,1,0,0,0,1|1,0,1]=4 4004 B13R1.149 CC(O)COCc1cccc(c1)Br 7a_100000687537_100011218427 [0,1,0,0,0,1|1,0,1]=4 4005 B13R1.149 CC(O)COCc1cccc(c1)Cl 34a_100000241301_100011218427 [0,1,0,0,0,1|1,0,1]=4 4006 B13R1.149 CC(O)COCc1cccc(c1)Cl 7a_100000241301_100011218427 [0,1,0,0,0,1|1,0,1]=4 4007 B13R1.149 CC(O)COCc1cccc(c1)F 34a_100000210976_100011218427 [0,1,0,0,0,1|1,0,1]=4 4008 B13R1.149 CC(O)COCc1cccc(c1)F 7a_100000210976_100011218427 [0,1,0,0,0,1|1,0,1]=4 4009 B13R1.149 CC(O)COCc1cccc(c1)I 34a_100011215336_100011218427 [0,1,0,0,0,1|1,0,1]=4 4010 B13R1.149 CC(O)COCc1cccc(c1)I 7a_100011215336_100011218427 [0,1,0,0,0,1|1,0,1]=4 4011 B13R1.149 CC(O)COCc1cccc(c1)N 34a_100000211919_100011218427 [0,1,0,0,0,1|1,0,1]=4 4012 B13R1.149 C[C@@H](O)COCc1cccc(c1)Br 34a_100000687537_100009817552 [0,1,0,0,0,1|1,0,1]=4 4013 B13R1.149 C[C@@H](O)COCc1cccc(c1)Br 7a_100000687537_100009817552 [0,1,0,0,0,1|1,0,1]=4 4014 B13R1.149 C[C@@H](O)COCc1cccc(c1)Cl 34a_100000241301_100009817552 [0,1,0,0,0,1|1,0,1]=4 4015 B13R1.149 C[C@@H](O)COCc1cccc(c1)Cl 7a_100000241301_100009817552 [0,1,0,0,0,1|1,0,1]=4 4016 B13R1.149 C[C@@H](O)COCc1cccc(c1)F 34a_100000210976_100009817552 [0,1,0,0,0,1|1,0,1]=4 4017 B13R1.149 C[C@@H](O)COCc1cccc(c1)F 7a_100000210976_100009817552 [0,1,0,0,0,1|1,0,1]=4 4018 B13R1.149 C[C@@H](O)COCc1cccc(c1)I 34a_100011215336_100009817552 [0,1,0,0,0,1|1,0,1]=4 4019 B13R1.149 C[C@@H](O)COCc1cccc(c1)I 7a_100011215336_100009817552 [0,1,0,0,0,1|1,0,1]=4 4020 B13R1.149 C[C@@H](O)COCc1cccc(c1)N 34a_100000211919_100009817552 [0,1,0,0,0,1|1,0,1]=4 4021 B13R1.149 Cc1cc(ccn1)CNCC(=O)O 269956a_100016091260_200020672517 [0,1,0,0,0,1|2,0,0]=4 4022 B13R1.149 Cc1cc(ccn1)COCC(=O)N 34a_100011998630_100000187820 [0,1,0,0,0,1|2,0,0]=4 4023 B13R1.149 Cc1cc(ccn1)COCC(=O)[O-] 34a_100011998630_100020667443 [0,1,0,0,0,1|1,0,1]=4 4024 B13R1.149 Cc1cc(ccn1)OCCC(=O)N 34a_100000688365_100000731001 [0,1,0,0,0,1|2,0,0]=4 4025 B13R1.149 Cc1cccc(c1)CNCC(=O)N 2230a_100000185548_100000747473 [0,1,0,0,0,1|2,0,0]=4 4026 B13R1.149 Cc1cccc(c1)CNCC(=O)N 2230a_100000711301_100000211840 [0,1,0,0,0,1|2,0,0]=4 4027 B13R1.149 Cc1cccc(c1)CNCC(=O)N 34a_100000185548_100000187820 [0,1,0,0,0,1|2,0,0]=4 4028 B13R1.149 Cc1cccc(c1)CNCC(=O)O 269956a_100016091260_100000005736 [0,1,0,0,0,1|1,0,0]=3 4029 B13R1.149 Cc1cccc(c1)CNCC(=O)[O-] 34a_100000185548_100020667443 [0,1,0,0,0,1|1,0,1]=4 4030 B13R1.149 Cc1cccc(c1)COCC(=O)N 34a_100011217746_100000187820 [0,1,0,0,0,1|1,0,0]=3 4031 B13R1.149 Cc1cccc(c1)COCC(=O)N 7a_100011217746_100000187820 [0,1,0,0,0,1|1,0,0]=3 4032 B13R1.149 Cc1cccc(c1)COCC(=O)[O-] 34a_100011217746_100020667443 [0,1,0,0,0,1|0,0,1]=3 4033 B13R1.149 Cc1cccc(c1)COCC(C)O 34a_100011217746_100011218427 [0,1,0,0,0,1|1,0,1]=4 4034 B13R1.149 Cc1cccc(c1)COCC(C)O 7a_100011217746_100011218427 [0,1,0,0,0,1|1,0,1]=4 4035 B13R1.149 Cc1cccc(c1)COC[C@@H](C)O 34a_100011217746_100009817552 [0,1,0,0,0,1|1,0,1]=4 4036 B13R1.149 Cc1cccc(c1)COC[C@@H](C)O 7a_100011217746_100009817552 [0,1,0,0,0,1|1,0,1]=4 4037 B13R1.149 Cc1cccc(c1)COC[N+](=O)[O-] 34a_100011217746_100000761209 [0,1,0,0,0,1|1,0,1]=4 4038 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000211840_100000747473 [0,1,0,0,0,1|1,1,0]=4 4039 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000747473_100000211840 [0,1,0,0,0,1|1,1,0]=4 4040 B13R1.149 Cc1cccc(c1)CSCC(=O)[O-] 62a_100000211840_100020667443 [0,1,0,0,0,1|0,1,1]=4 4041 B13R1.149 Cc1cccc(c1)CSCC(=O)[O-] 62a_100020667443_100000211840 [0,1,0,0,0,1|0,1,1]=4 4042 B13R1.149 Cc1cccc(c1)NCCC(=O)N 2230a_100000188690_100000744528 [0,1,0,0,0,1|2,0,0]=4 4043 B13R1.149 Cc1cccc(c1)NCCC(=O)N 34a_100000188690_100000731001 [0,1,0,0,0,1|2,0,0]=4 4044 B13R1.149 Cc1cccc(c1)OCCC(=O)N 34a_100000210337_100000731001 [0,1,0,0,0,1|1,0,0]=3 4045 B13R1.149 Cc1cccc(c1)OCCC(=O)N 7a_100000210337_100000744528 [0,1,0,0,0,1|1,0,0]=3 4046 B13R1.149 Cc1cccc(c1)OCCC(=O)[13CH3] 1458a_100000182325_200025704644 [0,1,0,0,0,1|1,0,0]=3 4047 B13R1.149 Cc1cccc(c1)OCCC(C)O 34a_100000210337_100012276601 [0,1,0,0,0,1|1,0,1]=4 4048 B13R1.149 Cc1cccc(c1)OCCC(C)O 7a_100000210337_100012276601 [0,1,0,0,0,1|1,0,1]=4 4049 B13R1.149 Cc1cccc(c1)SCCC(=O)N 62a_100000744528_100011215228 [0,1,0,0,0,1|1,1,0]=4 4050 B13R1.149 Cc1cccc(c1)SCCC(=O)N 62a_100011215228_100000744528 [0,1,0,0,0,1|1,1,0]=4 4051 B13R1.149 Cc1cccc(n1)CNCC(=O)O 269956a_100016091260_100000757606 [0,1,0,0,0,1|2,0,0]=4 4052 B13R1.149 Cc1cccc(n1)COCC(=O)N 34a_100000690600_100000187820 [0,1,0,0,0,1|2,0,0]=4 4053 B13R1.149 Cc1cccc(n1)COCC(=O)[O-] 34a_100000690600_100020667443 [0,1,0,0,0,1|1,0,1]=4 4054 B13R1.149 Cc1ccnc(c1)CNCC(=O)O 269956a_100016091260_100000718516 [0,1,0,0,0,1|2,0,0]=4 4055 B13R1.149 Cc1ccnc(c1)COCC(=O)N 34a_100011998357_100000187820 [0,1,0,0,0,1|2,0,0]=4 4056 B13R1.149 Cc1ccnc(c1)COCC(=O)[O-] 34a_100011998357_100020667443 [0,1,0,0,0,1|1,0,1]=4 4057 B13R1.149 Cc1cncc(c1)CNCC(=O)O 269956a_100016091260_100016988603 [0,1,0,0,0,1|2,0,0]=4 4058 B13R1.149 Cc1cncc(c1)COCC(=O)N 34a_100011998709_100000187820 [0,1,0,0,0,1|2,0,0]=4 4059 B13R1.149 Cc1cncc(c1)COCC(=O)N 7a_100011998709_100000187820 [0,1,0,0,0,1|2,0,0]=4 4060 B13R1.149 Cc1cncc(c1)COCC(=O)[O-] 34a_100011998709_100020667443 [0,1,0,0,0,1|1,0,1]=4 4061 B13R1.149 Cc1cncc(c1)OCCC(=O)N 34a_100011830280_100000731001 [0,1,0,0,0,1|2,0,0]=4 4062 B13R1.149 Cc1cncc(c1)OCCC(=O)N 7a_100011830280_100000744528 [0,1,0,0,0,1|2,0,0]=4 4063 B13R1.149 NC(=O)CCNc1cccc(c1)Br 34a_100000210019_100000731001 [0,1,0,0,0,1|2,0,0]=4 4064 B13R1.149 NC(=O)CCNc1cccc(c1)Cl 34a_100000185859_100000731001 [0,1,0,0,0,1|2,0,0]=4 4065 B13R1.149 NC(=O)CCNc1cccc(c1)F 34a_100000210047_100000731001 [0,1,0,0,0,1|2,0,0]=4 4066 B13R1.149 NC(=O)CCNc1cccc(c1)I 34a_100000211102_100000731001 [0,1,0,0,0,1|2,0,0]=4 4067 B13R1.149 NC(=O)CCNc1cccc(c1)O 34a_100000210217_100000731001 [0,1,0,0,0,1|2,0,0]=4 4068 B13R1.149 NC(=O)CCOc1cc[nH]c(=O)c1 34a_100000032262_100000731001 [0,1,0,0,0,1|2,0,0]=4 4069 B13R1.149 NC(=O)CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000731001 [0,1,0,0,0,1|2,0,0]=4 4070 B13R1.149 NC(=O)CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000744528 [0,1,0,0,0,1|2,0,0]=4 4071 B13R1.149 NC(=O)CCOc1cccc(=O)[nH]1 34a_100000033347_100000731001 [0,1,0,0,0,1|2,0,0]=4 4072 B13R1.149 NC(=O)CCOc1cccc(c1)Br 34a_100000210342_100000731001 [0,1,0,0,0,1|1,0,0]=3 4073 B13R1.149 NC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000744528 [0,1,0,0,0,1|1,0,0]=3 4074 B13R1.149 NC(=O)CCOc1cccc(c1)Cl 34a_100000210295_100000731001 [0,1,0,0,0,1|1,0,0]=3 4075 B13R1.149 NC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000744528 [0,1,0,0,0,1|1,0,0]=3 4076 B13R1.149 NC(=O)CCOc1cccc(c1)F 34a_100000210426_100000731001 [0,1,0,0,0,1|1,0,0]=3 4077 B13R1.149 NC(=O)CCOc1cccc(c1)F 7a_100000210426_100000744528 [0,1,0,0,0,1|1,0,0]=3 4078 B13R1.149 NC(=O)CCOc1cccc(c1)I 34a_100000211634_100000731001 [0,1,0,0,0,1|1,0,0]=3 4079 B13R1.149 NC(=O)CCOc1cccc(c1)I 7a_100000211634_100000744528 [0,1,0,0,0,1|1,0,0]=3 4080 B13R1.149 NC(=O)CCOc1cccc(c1)N 34a_100000210217_100000731001 [0,1,0,0,0,1|1,0,0]=3 4081 B13R1.149 NC(=O)CCOc1cccc(n1)F 34a_100011432558_100000731001 [0,1,0,0,0,1|2,0,0]=4 4082 B13R1.149 NC(=O)CCOc1ccnc(c1)Cl 34a_100000762945_100000731001 [0,1,0,0,0,1|2,0,0]=4 4083 B13R1.149 NC(=O)CCOc1ccnc(c1)F 34a_100000732698_100000731001 [0,1,0,0,0,1|2,0,0]=4 4084 B13R1.149 NC(=O)CCOc1ccnc(c1)N 34a_100011834064_100000731001 [0,1,0,0,0,1|2,0,0]=4 4085 B13R1.149 NC(=O)CCOc1cncc(c1)Br 34a_100000754920_100000731001 [0,1,0,0,0,1|2,0,0]=4 4086 B13R1.149 NC(=O)CCOc1cncc(c1)Br 7a_100000754920_100000744528 [0,1,0,0,0,1|2,0,0]=4 4087 B13R1.149 NC(=O)CCOc1cncc(c1)Cl 7a_100000032511_100000744528 [0,1,0,0,0,1|2,0,0]=4 4088 B13R1.149 NC(=O)CCOc1cncc(c1)F 34a_100011830296_100000731001 [0,1,0,0,0,1|2,0,0]=4 4089 B13R1.149 NC(=O)CCOc1cncc(c1)F 7a_100011830296_100000744528 [0,1,0,0,0,1|2,0,0]=4 4090 B13R1.149 NC(=O)CCOc1cncc(c1)N 34a_100011997051_100000731001 [0,1,0,0,0,1|2,0,0]=4 4091 B13R1.149 NC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000744528 [0,1,0,0,0,1|1,1,0]=4 4092 B13R1.149 NC(=O)CCSc1cccc(c1)Br 62a_100000744528_100000691529 [0,1,0,0,0,1|1,1,0]=4 4093 B13R1.149 NC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000744528 [0,1,0,0,0,1|1,1,0]=4 4094 B13R1.149 NC(=O)CCSc1cccc(c1)Cl 62a_100000744528_100000699651 [0,1,0,0,0,1|1,1,0]=4 4095 B13R1.149 NC(=O)CCSc1cccc(c1)F 62a_100000685547_100000744528 [0,1,0,0,0,1|1,1,0]=4 4096 B13R1.149 NC(=O)CCSc1cccc(c1)F 62a_100000744528_100000685547 [0,1,0,0,0,1|1,1,0]=4 4097 B13R1.149 NC(=O)CCSc1cccc(c1)N 62a_100000210019_100000744528 [0,1,0,0,0,1|1,1,0]=4 4098 B13R1.149 NC(=O)CCSc1cccc(c1)N 62a_100000744528_100000210019 [0,1,0,0,0,1|1,1,0]=4 4099 B13R1.149 NC(=O)CCSc1cccc(c1)O 62a_100000744528_100000211634 [0,1,0,0,0,1|1,1,0]=4 4100 B13R1.149 NC(=O)CCSc1cccc(c1)[S] 62a_100000744528_114929384022 [0,1,0,0,0,1|1,1,0]=4 4101 B13R1.149 NC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000744528 [0,1,0,0,0,1|1,1,0]=4 4102 B13R1.149 NC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000747473 [0,1,0,0,0,1|2,0,0]=4 4103 B13R1.149 NC(=O)CNCc1cccc(c1)Br 2230a_100000711301_100000698116 [0,1,0,0,0,1|2,0,0]=4 4104 B13R1.149 NC(=O)CNCc1cccc(c1)Br 34a_100000174977_100000187820 [0,1,0,0,0,1|2,0,0]=4 4105 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000747473 [0,1,0,0,0,1|2,0,0]=4 4106 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 2230a_100000711301_100000181238 [0,1,0,0,0,1|2,0,0]=4 4107 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 34a_100000174878_100000187820 [0,1,0,0,0,1|2,0,0]=4 4108 B13R1.149 NC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000747473 [0,1,0,0,0,1|2,0,0]=4 4109 B13R1.149 NC(=O)CNCc1cccc(c1)F 2230a_100000711301_100000230114 [0,1,0,0,0,1|2,0,0]=4 4110 B13R1.149 NC(=O)CNCc1cccc(c1)F 34a_100000174948_100000187820 [0,1,0,0,0,1|2,0,0]=4 4111 B13R1.149 NC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000747473 [0,1,0,0,0,1|2,0,0]=4 4112 B13R1.149 NC(=O)CNCc1cccc(c1)I 2230a_100000711301_100011218688 [0,1,0,0,0,1|2,0,0]=4 4113 B13R1.149 NC(=O)CNCc1cccc(c1)I 34a_100000106179_100000187820 [0,1,0,0,0,1|2,0,0]=4 4114 B13R1.149 NC(=O)CNCc1cccc(c1)O 2230a_100000711301_100011660834 [0,1,0,0,0,1|2,0,0]=4 4115 B13R1.149 NC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000747473 [0,1,0,0,0,1|2,0,0]=4 4116 B13R1.149 NC(=O)CNCc1cccc(c1)O 34a_100000743036_100000187820 [0,1,0,0,0,1|2,0,0]=4 4117 B13R1.149 NC(=O)COCc1cc(ccn1)Cl 34a_100000748867_100000187820 [0,1,0,0,0,1|2,0,0]=4 4118 B13R1.149 NC(=O)COCc1cc(ccn1)N 34a_100000692640_100000187820 [0,1,0,0,0,1|2,0,0]=4 4119 B13R1.149 NC(=O)COCc1ccc[n+](c1)[O-] 34a_100000037817_100000187820 [0,1,0,0,0,1|2,0,0]=4 4120 B13R1.149 NC(=O)COCc1ccc[n+](c1)[O-] 7a_100000037817_100000187820 [0,1,0,0,0,1|2,0,0]=4 4121 B13R1.149 NC(=O)COCc1cccc(c1)Br 34a_100000687537_100000187820 [0,1,0,0,0,1|1,0,0]=3 4122 B13R1.149 NC(=O)COCc1cccc(c1)Br 7a_100000687537_100000187820 [0,1,0,0,0,1|1,0,0]=3 4123 B13R1.149 NC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000187820 [0,1,0,0,0,1|1,0,0]=3 4124 B13R1.149 NC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000187820 [0,1,0,0,0,1|1,0,0]=3 4125 B13R1.149 NC(=O)COCc1cccc(c1)F 34a_100000210976_100000187820 [0,1,0,0,0,1|1,0,0]=3 4126 B13R1.149 NC(=O)COCc1cccc(c1)F 7a_100000210976_100000187820 [0,1,0,0,0,1|1,0,0]=3 4127 B13R1.149 NC(=O)COCc1cccc(c1)I 34a_100011215336_100000187820 [0,1,0,0,0,1|1,0,0]=3 4128 B13R1.149 NC(=O)COCc1cccc(c1)I 7a_100011215336_100000187820 [0,1,0,0,0,1|1,0,0]=3 4129 B13R1.149 NC(=O)COCc1cccc(c1)N 34a_100000211919_100000187820 [0,1,0,0,0,1|1,0,0]=3 4130 B13R1.149 NC(=O)COCc1cccc(n1)Br 34a_100000694195_100000187820 [0,1,0,0,0,1|2,0,0]=4 4131 B13R1.149 NC(=O)COCc1cccc(n1)Cl 34a_100011998359_100000187820 [0,1,0,0,0,1|2,0,0]=4 4132 B13R1.149 NC(=O)COCc1cccc(n1)F 34a_100000086748_100000187820 [0,1,0,0,0,1|2,0,0]=4 4133 B13R1.149 NC(=O)COCc1ccnc(c1)Br 34a_100009814636_100000187820 [0,1,0,0,0,1|2,0,0]=4 4134 B13R1.149 NC(=O)COCc1ccnc(c1)Br 7a_100009814636_100000187820 [0,1,0,0,0,1|2,0,0]=4 4135 B13R1.149 NC(=O)COCc1ccnc(c1)Cl 34a_100000748751_100000187820 [0,1,0,0,0,1|2,0,0]=4 4136 B13R1.149 NC(=O)COCc1ccnc(c1)F 34a_100000082451_100000187820 [0,1,0,0,0,1|2,0,0]=4 4137 B13R1.149 NC(=O)COCc1cncc(c1)Br 34a_100011259137_100000187820 [0,1,0,0,0,1|2,0,0]=4 4138 B13R1.149 NC(=O)COCc1cncc(c1)Br 7a_100011259137_100000187820 [0,1,0,0,0,1|2,0,0]=4 4139 B13R1.149 NC(=O)COCc1cncc(c1)Cl 34a_100000092867_100000187820 [0,1,0,0,0,1|2,0,0]=4 4140 B13R1.149 NC(=O)COCc1cncc(c1)Cl 7a_100000092867_100000187820 [0,1,0,0,0,1|2,0,0]=4 4141 B13R1.149 NC(=O)COCc1cncc(c1)F 34a_100011962875_100000187820 [0,1,0,0,0,1|2,0,0]=4 4142 B13R1.149 NC(=O)COCc1cncc(c1)F 7a_100011962875_100000187820 [0,1,0,0,0,1|2,0,0]=4 4143 B13R1.149 NC(=O)COCc1cncc(c1)N 34a_100000085308_100000187820 [0,1,0,0,0,1|2,0,0]=4 4144 B13R1.149 NC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000747473 [0,1,0,0,0,1|1,1,0]=4 4145 B13R1.149 NC(=O)CSCc1cccc(c1)Br 62a_100000747473_100000211773 [0,1,0,0,0,1|1,1,0]=4 4146 B13R1.149 NC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000747473 [0,1,0,0,0,1|1,1,0]=4 4147 B13R1.149 NC(=O)CSCc1cccc(c1)Cl 62a_100000747473_100000187163 [0,1,0,0,0,1|1,1,0]=4 4148 B13R1.149 NC(=O)CSCc1cccc(c1)F 62a_100000230114_100000747473 [0,1,0,0,0,1|1,1,0]=4 4149 B13R1.149 NC(=O)CSCc1cccc(c1)F 62a_100000747473_100000230114 [0,1,0,0,0,1|1,1,0]=4 4150 B13R1.149 NC(=O)CSCc1cccc(c1)I 62a_100000747473_100011218688 [0,1,0,0,0,1|1,1,0]=4 4151 B13R1.149 NC(=O)CSCc1cccc(c1)I 62a_100011218688_100000747473 [0,1,0,0,0,1|1,1,0]=4 4152 B13R1.149 NC(=O)CSCc1cccc(c1)O 62a_100000747473_100011660834 [0,1,0,0,0,1|1,1,0]=4 4153 B13R1.149 NC(=O)CSCc1cccc(c1)O 62a_100011660834_100000747473 [0,1,0,0,0,1|1,1,0]=4 4154 B13R1.149 Nc1cccc(c1)COCC(=O)[O-] 34a_100000211919_100020667443 [0,1,0,0,0,1|0,0,1]=3 4155 B13R1.149 Nc1cccc(c1)COC[N+](=O)[O-] 34a_100000211919_100000761209 [0,1,0,0,0,1|1,0,1]=4 4156 B13R1.149 Nc1ccnc(c1)COCC(=O)[O-] 34a_100000692640_100020667443 [0,1,0,0,0,1|1,0,1]=4 4157 B13R1.149 Nc1cncc(c1)COCC(=O)[O-] 34a_100000085308_100020667443 [0,1,0,0,0,1|1,0,1]=4 4158 B13R1.149 O=C(O)CNCc1cc(ccn1)Br 269956a_100016091260_100010173614 [0,1,0,0,0,1|2,0,0]=4 4159 B13R1.149 O=C(O)CNCc1cc(ccn1)Cl 269956a_100016091260_100016988179 [0,1,0,0,0,1|2,0,0]=4 4160 B13R1.149 O=C(O)CNCc1cccc(c1)Br 269956a_100016091260_100000211773 [0,1,0,0,0,1|1,0,0]=3 4161 B13R1.149 O=C(O)CNCc1cccc(c1)Cl 269956a_100016091260_100000187163 [0,1,0,0,0,1|1,0,0]=3 4162 B13R1.149 O=C(O)CNCc1cccc(c1)F 269956a_100016091260_100000230114 [0,1,0,0,0,1|1,0,0]=3 4163 B13R1.149 O=C(O)CNCc1cccc(c1)I 269956a_100016091260_100011218688 [0,1,0,0,0,1|1,0,0]=3 4164 B13R1.149 O=C(O)CNCc1cccc(c1)O 269956a_100016091260_100011660834 [0,1,0,0,0,1|1,0,0]=3 4165 B13R1.149 O=C(O)CNCc1cccc(n1)Br 269956a_100016091260_100009889011 [0,1,0,0,0,1|2,0,0]=4 4166 B13R1.149 O=C(O)CNCc1cccc(n1)Cl 269956a_100016091260_100000086093 [0,1,0,0,0,1|2,0,0]=4 4167 B13R1.149 O=C(O)CNCc1cccc(n1)F 269956a_100016091260_100009819644 [0,1,0,0,0,1|2,0,0]=4 4168 B13R1.149 O=C(O)CNCc1ccnc(c1)Br 269956a_100016091260_100010254460 [0,1,0,0,0,1|2,0,0]=4 4169 B13R1.149 O=C(O)CNCc1ccnc(c1)Cl 269956a_100016091260_100000764220 [0,1,0,0,0,1|2,0,0]=4 4170 B13R1.149 O=C(O)CNCc1cncc(c1)Br 269956a_100016091260_100000738771 [0,1,0,0,0,1|2,0,0]=4 4171 B13R1.149 O=C(O)CNCc1cncc(c1)Cl 269956a_100016091260_100016992070 [0,1,0,0,0,1|2,0,0]=4 4172 B13R1.149 O=C(O)CNCc1cncc(c1)F 269956a_100016091260_100000725299 [0,1,0,0,0,1|2,0,0]=4 4173 B13R1.149 O=C([O-])CNCc1cccc(c1)Br 34a_100000174977_100020667443 [0,1,0,0,0,1|1,0,1]=4 4174 B13R1.149 O=C([O-])CNCc1cccc(c1)Cl 34a_100000174878_100020667443 [0,1,0,0,0,1|1,0,1]=4 4175 B13R1.149 O=C([O-])CNCc1cccc(c1)F 34a_100000174948_100020667443 [0,1,0,0,0,1|1,0,1]=4 4176 B13R1.149 O=C([O-])CNCc1cccc(c1)I 34a_100000106179_100020667443 [0,1,0,0,0,1|1,0,1]=4 4177 B13R1.149 O=C([O-])CNCc1cccc(c1)O 34a_100000743036_100020667443 [0,1,0,0,0,1|1,0,1]=4 4178 B13R1.149 O=C([O-])COCc1cc(ccn1)Cl 34a_100000748867_100020667443 [0,1,0,0,0,1|1,0,1]=4 4179 B13R1.149 O=C([O-])COCc1ccc[n+](c1)[O-] 34a_100000037817_100020667443 [0,1,0,0,0,1|1,0,1]=4 4180 B13R1.149 O=C([O-])COCc1cccc(c1)Br 34a_100000687537_100020667443 [0,1,0,0,0,1|0,0,1]=3 4181 B13R1.149 O=C([O-])COCc1cccc(c1)Cl 34a_100000241301_100020667443 [0,1,0,0,0,1|0,0,1]=3 4182 B13R1.149 O=C([O-])COCc1cccc(c1)F 34a_100000210976_100020667443 [0,1,0,0,0,1|0,0,1]=3 4183 B13R1.149 O=C([O-])COCc1cccc(c1)I 34a_100011215336_100020667443 [0,1,0,0,0,1|0,0,1]=3 4184 B13R1.149 O=C([O-])COCc1cccc(n1)Br 34a_100000694195_100020667443 [0,1,0,0,0,1|1,0,1]=4 4185 B13R1.149 O=C([O-])COCc1cccc(n1)Cl 34a_100011998359_100020667443 [0,1,0,0,0,1|1,0,1]=4 4186 B13R1.149 O=C([O-])COCc1cccc(n1)F 34a_100000086748_100020667443 [0,1,0,0,0,1|1,0,1]=4 4187 B13R1.149 O=C([O-])COCc1ccnc(c1)Br 34a_100009814636_100020667443 [0,1,0,0,0,1|1,0,1]=4 4188 B13R1.149 O=C([O-])COCc1ccnc(c1)Cl 34a_100000748751_100020667443 [0,1,0,0,0,1|1,0,1]=4 4189 B13R1.149 O=C([O-])COCc1ccnc(c1)F 34a_100000082451_100020667443 [0,1,0,0,0,1|1,0,1]=4 4190 B13R1.149 O=C([O-])COCc1cncc(c1)Br 34a_100011259137_100020667443 [0,1,0,0,0,1|1,0,1]=4 4191 B13R1.149 O=C([O-])COCc1cncc(c1)Cl 34a_100000092867_100020667443 [0,1,0,0,0,1|1,0,1]=4 4192 B13R1.149 O=C([O-])COCc1cncc(c1)F 34a_100011962875_100020667443 [0,1,0,0,0,1|1,0,1]=4 4193 B13R1.149 O=C([O-])CSCc1cccc(c1)Br 62a_100000211773_100020667443 [0,1,0,0,0,1|0,1,1]=4 4194 B13R1.149 O=C([O-])CSCc1cccc(c1)Br 62a_100020667443_100000211773 [0,1,0,0,0,1|0,1,1]=4 4195 B13R1.149 O=C([O-])CSCc1cccc(c1)Cl 62a_100000187163_100020667443 [0,1,0,0,0,1|0,1,1]=4 4196 B13R1.149 O=C([O-])CSCc1cccc(c1)Cl 62a_100020667443_100000187163 [0,1,0,0,0,1|0,1,1]=4 4197 B13R1.149 O=C([O-])CSCc1cccc(c1)F 62a_100000230114_100020667443 [0,1,0,0,0,1|0,1,1]=4 4198 B13R1.149 O=C([O-])CSCc1cccc(c1)F 62a_100020667443_100000230114 [0,1,0,0,0,1|0,1,1]=4 4199 B13R1.149 O=C([O-])CSCc1cccc(c1)I 62a_100011218688_100020667443 [0,1,0,0,0,1|0,1,1]=4 4200 B13R1.149 O=C([O-])CSCc1cccc(c1)I 62a_100020667443_100011218688 [0,1,0,0,0,1|0,1,1]=4 4201 B13R1.149 O=C([O-])CSCc1cccc(c1)O 62a_100011660834_100020667443 [0,1,0,0,0,1|0,1,1]=4 4202 B13R1.149 O=C([O-])CSCc1cccc(c1)O 62a_100020667443_100011660834 [0,1,0,0,0,1|0,1,1]=4 4203 B13R1.149 O=[N+]([O-])COCc1cccc(c1)Br 34a_100000687537_100000761209 [0,1,0,0,0,1|1,0,1]=4 4204 B13R1.149 O=[N+]([O-])COCc1cccc(c1)Cl 34a_100000241301_100000761209 [0,1,0,0,0,1|1,0,1]=4 4205 B13R1.149 O=[N+]([O-])COCc1cccc(c1)F 34a_100000210976_100000761209 [0,1,0,0,0,1|1,0,1]=4 4206 B13R1.149 O=[N+]([O-])COCc1cccc(c1)I 34a_100011215336_100000761209 [0,1,0,0,0,1|1,0,1]=4 4207 B13R1.149 [13CH3]C(=O)CCCc1cccc(c1)Br 1458a_100000685939_200025704644 [0,1,0,0,0,1|2,0,0]=4 4208 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)Br 1458a_100000183437_200025704644 [0,1,0,0,0,1|1,0,0]=3 4209 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)Cl 1458a_100000738917_200025704644 [0,1,0,0,0,1|1,0,0]=3 4210 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)F 1458a_100000737089_200025704644 [0,1,0,0,0,1|1,0,0]=3 4211 B13R1.149 [13CH3]C(=O)CSCc1cccc(c1)Cl 1458a_100000150269_200025704644 [0,1,0,0,0,1|1,1,0]=4 4212 B13R1.158 C=C(C)CCOc1ccccc1Br 34a_100000181306_100000730704 [0,1,0,0,0,1|2,0,0]=4 4213 B13R1.158 C=C(C)CCOc1ccccc1Br 7a_100000181306_100000730704 [0,1,0,0,0,1|2,0,0]=4 4214 B13R1.158 C=C(C)CCOc1ccccc1C 34a_100000210338_100000730704 [0,1,0,0,0,1|2,0,0]=4 4215 B13R1.158 C=C(C)CCOc1ccccc1C 7a_100000210338_100000730704 [0,1,0,0,0,1|2,0,0]=4 4216 B13R1.158 C=C(C)CCOc1ccccc1Cl 34a_100000210172_100000730704 [0,1,0,0,0,1|2,0,0]=4 4217 B13R1.158 C=C(C)CCOc1ccccc1Cl 7a_100000210172_100000730704 [0,1,0,0,0,1|2,0,0]=4 4218 B13R1.158 C=C(C)CCOc1ccccc1F 34a_100000210171_100000730704 [0,1,0,0,0,1|2,0,0]=4 4219 B13R1.158 C=C(C)CCOc1ccccc1F 7a_100000210171_100000730704 [0,1,0,0,0,1|2,0,0]=4 4220 B13R1.158 C=C(C)CCOc1ccccc1I 34a_100000739446_100000730704 [0,1,0,0,0,1|2,0,0]=4 4221 B13R1.158 C=C(C)CCOc1ccccc1I 7a_100000739446_100000730704 [0,1,0,0,0,1|2,0,0]=4 4222 B13R1.158 C=C(C)CCOc1ccccc1N 34a_100000185747_100000730704 [0,1,0,0,0,1|2,0,0]=4 4223 B13R1.158 C=C(C)CCOc1ccccc1N 7a_100000185747_100000730704 [0,1,0,0,0,1|2,0,0]=4 4224 B13R1.158 C=C(C)COCc1ccccc1Br 34a_100000210245_100000184730 [0,1,0,0,0,1|2,0,0]=4 4225 B13R1.158 C=C(C)COCc1ccccc1Br 34a_100000756307_100000748629 [0,1,0,0,0,1|2,0,0]=4 4226 B13R1.158 C=C(C)COCc1ccccc1Br 7a_100000756307_100000748629 [0,1,0,0,0,1|2,0,0]=4 4227 B13R1.158 C=C(C)COCc1ccccc1C 34a_100000210245_100000211839 [0,1,0,0,0,1|2,0,0]=4 4228 B13R1.158 C=C(C)COCc1ccccc1C 34a_100000698903_100000748629 [0,1,0,0,0,1|2,0,0]=4 4229 B13R1.158 C=C(C)COCc1ccccc1C 7a_100000698903_100000748629 [0,1,0,0,0,1|2,0,0]=4 4230 B13R1.158 C=C(C)COCc1ccccc1Cl 34a_100000210245_100000187162 [0,1,0,0,0,1|2,0,0]=4 4231 B13R1.158 C=C(C)COCc1ccccc1Cl 34a_100000210847_100000748629 [0,1,0,0,0,1|2,0,0]=4 4232 B13R1.158 C=C(C)COCc1ccccc1Cl 7a_100000210847_100000748629 [0,1,0,0,0,1|2,0,0]=4 4233 B13R1.158 C=C(C)COCc1ccccc1F 34a_100000210245_100000211605 [0,1,0,0,0,1|2,0,0]=4 4234 B13R1.158 C=C(C)COCc1ccccc1F 34a_100000211962_100000748629 [0,1,0,0,0,1|2,0,0]=4 4235 B13R1.158 C=C(C)COCc1ccccc1F 7a_100000211962_100000748629 [0,1,0,0,0,1|2,0,0]=4 4236 B13R1.158 C=C(C)COCc1ccccc1I 34a_100000187465_100000748629 [0,1,0,0,0,1|2,0,0]=4 4237 B13R1.158 C=C(C)COCc1ccccc1I 34a_100000210245_100011215278 [0,1,0,0,0,1|2,0,0]=4 4238 B13R1.158 C=C(C)COCc1ccccc1I 7a_100000187465_100000748629 [0,1,0,0,0,1|2,0,0]=4 4239 B13R1.158 C=C(C)COCc1ccccc1N 34a_100000212039_100000748629 [0,1,0,0,0,1|2,0,0]=4 4240 B13R1.158 C=C(F)COCc1ccccc1Br 34a_100000756307_100009893438 [0,1,0,0,0,1|2,0,0]=4 4241 B13R1.158 C=C(F)COCc1ccccc1Br 34a_200010262243_100000184730 [0,1,0,0,0,1|2,0,0]=4 4242 B13R1.158 C=C(F)COCc1ccccc1Br 7a_100000756307_100000042424 [0,1,0,0,0,1|2,0,0]=4 4243 B13R1.158 C=C(F)COCc1ccccc1C 34a_100000698903_100009893438 [0,1,0,0,0,1|2,0,0]=4 4244 B13R1.158 C=C(F)COCc1ccccc1C 34a_200010262243_100000211839 [0,1,0,0,0,1|2,0,0]=4 4245 B13R1.158 C=C(F)COCc1ccccc1C 7a_100000698903_100000042424 [0,1,0,0,0,1|2,0,0]=4 4246 B13R1.158 C=C(F)COCc1ccccc1Cl 34a_100000210847_100009893438 [0,1,0,0,0,1|2,0,0]=4 4247 B13R1.158 C=C(F)COCc1ccccc1Cl 34a_200010262243_100000187162 [0,1,0,0,0,1|2,0,0]=4 4248 B13R1.158 C=C(F)COCc1ccccc1Cl 7a_100000210847_100000042424 [0,1,0,0,0,1|2,0,0]=4 4249 B13R1.158 C=C(F)COCc1ccccc1F 34a_100000211962_100009893438 [0,1,0,0,0,1|2,0,0]=4 4250 B13R1.158 C=C(F)COCc1ccccc1F 34a_200010262243_100000211605 [0,1,0,0,0,1|2,0,0]=4 4251 B13R1.158 C=C(F)COCc1ccccc1F 7a_100000211962_100000042424 [0,1,0,0,0,1|2,0,0]=4 4252 B13R1.158 C=C(F)COCc1ccccc1I 34a_100000187465_100009893438 [0,1,0,0,0,1|2,0,0]=4 4253 B13R1.158 C=C(F)COCc1ccccc1I 34a_200010262243_100011215278 [0,1,0,0,0,1|2,0,0]=4 4254 B13R1.158 C=C(F)COCc1ccccc1I 7a_100000187465_100000042424 [0,1,0,0,0,1|2,0,0]=4 4255 B13R1.158 C=C(F)COCc1ccccc1N 34a_100000212039_100009893438 [0,1,0,0,0,1|2,0,0]=4 4256 B13R1.158 CC(=CCOc1ccccc1Br)C 34a_100000181306_100000761012 [0,1,0,0,0,1|2,0,0]=4 4257 B13R1.158 CC(=CCOc1ccccc1Br)C 7a_100000181306_100000761012 [0,1,0,0,0,1|2,0,0]=4 4258 B13R1.158 CC(=CCOc1ccccc1C)C 34a_100000210338_100000761012 [0,1,0,0,0,1|2,0,0]=4 4259 B13R1.158 CC(=CCOc1ccccc1C)C 7a_100000210338_100000761012 [0,1,0,0,0,1|2,0,0]=4 4260 B13R1.158 CC(=CCOc1ccccc1Cl)C 34a_100000210172_100000761012 [0,1,0,0,0,1|2,0,0]=4 4261 B13R1.158 CC(=CCOc1ccccc1Cl)C 7a_100000210172_100000761012 [0,1,0,0,0,1|2,0,0]=4 4262 B13R1.158 CC(=CCOc1ccccc1F)C 34a_100000210171_100000761012 [0,1,0,0,0,1|2,0,0]=4 4263 B13R1.158 CC(=CCOc1ccccc1F)C 7a_100000210171_100000761012 [0,1,0,0,0,1|2,0,0]=4 4264 B13R1.158 CC(=CCOc1ccccc1I)C 34a_100000739446_100000761012 [0,1,0,0,0,1|2,0,0]=4 4265 B13R1.158 CC(=CCOc1ccccc1I)C 7a_100000739446_100000761012 [0,1,0,0,0,1|2,0,0]=4 4266 B13R1.158 CC(=CCOc1ccccc1N)C 34a_100000185747_100000761012 [0,1,0,0,0,1|2,0,0]=4 4267 B13R1.158 CC(=CCOc1ccccc1N)C 7a_100000185747_100000761012 [0,1,0,0,0,1|2,0,0]=4 4268 B13R1.158 CC(=O)CC#Cc1ccccc1Br 1458a_100000070787_100010706765 [0,1,0,0,0,1|2,0,0]=4 4269 B13R1.158 CC(=O)CC#Cc1ccccc1F 1458a_100000070787_100010404167 [0,1,0,0,0,1|2,0,0]=4 4270 B13R1.158 CC(=O)CCCc1ccccc1Br 1458a_100000070787_200011713681 [0,1,0,0,0,1|2,0,0]=4 4271 B13R1.158 CC(=O)CCCc1ccccc1Cl 1458a_100000700343_200000210301 [0,1,0,0,0,1|2,0,0]=4 4272 B13R1.158 CC(=O)CCCc1ccccc1O 1458a_100009859317_200000210301 [0,1,0,0,0,1|2,0,0]=4 4273 B13R1.158 CC(=O)CCOc1cccc[n+]1[O-] 7a_100000211761_100000053229 [0,1,0,0,0,1|2,0,0]=4 4274 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000070787_100000695877 [0,1,0,0,0,1|1,0,0]=3 4275 B13R1.158 CC(=O)CCOc1ccccc1Br 1458a_100000740817_200000210301 [0,1,0,0,0,1|1,0,0]=3 4276 B13R1.158 CC(=O)CCOc1ccccc1Br 7a_100000181306_100000053229 [0,1,0,0,0,1|1,0,0]=3 4277 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000070787_100000184434 [0,1,0,0,0,1|1,0,0]=3 4278 B13R1.158 CC(=O)CCOc1ccccc1C 1458a_100000182324_200000210301 [0,1,0,0,0,1|1,0,0]=3 4279 B13R1.158 CC(=O)CCOc1ccccc1C 7a_100000210338_100000053229 [0,1,0,0,0,1|1,0,0]=3 4280 B13R1.158 CC(=O)CCOc1ccccc1Cl 1458a_100000240438_200000210301 [0,1,0,0,0,1|1,0,0]=3 4281 B13R1.158 CC(=O)CCOc1ccccc1Cl 7a_100000210172_100000053229 [0,1,0,0,0,1|1,0,0]=3 4282 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000070787_100000183290 [0,1,0,0,0,1|1,0,0]=3 4283 B13R1.158 CC(=O)CCOc1ccccc1F 1458a_100000184057_200000210301 [0,1,0,0,0,1|1,0,0]=3 4284 B13R1.158 CC(=O)CCOc1ccccc1F 7a_100000210171_100000053229 [0,1,0,0,0,1|1,0,0]=3 4285 B13R1.158 CC(=O)CCOc1ccccc1I 7a_100000739446_100000053229 [0,1,0,0,0,1|1,0,0]=3 4286 B13R1.158 CC(=O)CCOc1ccccc1N 7a_100000185747_100000053229 [0,1,0,0,0,1|1,0,0]=3 4287 B13R1.158 CC(=O)CCOc1cccnc1Br 7a_100000744436_100000053229 [0,1,0,0,0,1|2,0,0]=4 4288 B13R1.158 CC(=O)CCOc1cccnc1C 7a_100000745507_100000053229 [0,1,0,0,0,1|2,0,0]=4 4289 B13R1.158 CC(=O)CCOc1cccnc1Cl 7a_100000757616_100000053229 [0,1,0,0,0,1|2,0,0]=4 4290 B13R1.158 CC(=O)CCOc1cccnc1F 7a_100000061740_100000053229 [0,1,0,0,0,1|2,0,0]=4 4291 B13R1.158 CC(=O)CCOc1cccnc1I 7a_100000034122_100000053229 [0,1,0,0,0,1|2,0,0]=4 4292 B13R1.158 CC(=O)CCOc1cccnc1N 7a_100000211975_100000053229 [0,1,0,0,0,1|2,0,0]=4 4293 B13R1.158 CC(=O)CCOc1cccoc1=O 7a_100000077404_100000053229 [0,1,0,0,0,1|2,0,0]=4 4294 B13R1.158 CC(=O)CCOc1cnccc1C 7a_100011997053_100000053229 [0,1,0,0,0,1|2,0,0]=4 4295 B13R1.158 CC(=O)CCSc1ccccc1Br 62a_100000053229_100000695589 [0,1,0,0,0,1|1,1,0]=4 4296 B13R1.158 CC(=O)CCSc1ccccc1Br 62a_100000695589_100000053229 [0,1,0,0,0,1|1,1,0]=4 4297 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000053229_100000210755 [0,1,0,0,0,1|1,1,0]=4 4298 B13R1.158 CC(=O)CCSc1ccccc1C 62a_100000210755_100000053229 [0,1,0,0,0,1|1,1,0]=4 4299 B13R1.158 CC(=O)CCSc1ccccc1Cl 62a_100000053229_100000764095 [0,1,0,0,0,1|1,1,0]=4 4300 B13R1.158 CC(=O)CCSc1ccccc1Cl 62a_100000764095_100000053229 [0,1,0,0,0,1|1,1,0]=4 4301 B13R1.158 CC(=O)CCSc1ccccc1F 1458a_100000208832_200000210301 [0,1,0,0,0,1|1,1,0]=4 4302 B13R1.158 CC(=O)CCSc1ccccc1F 62a_100000053229_100011215700 [0,1,0,0,0,1|1,1,0]=4 4303 B13R1.158 CC(=O)CCSc1ccccc1F 62a_100011215700_100000053229 [0,1,0,0,0,1|1,1,0]=4 4304 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000053229_100000210017 [0,1,0,0,0,1|1,1,0]=4 4305 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000210017_100000053229 [0,1,0,0,0,1|1,1,0]=4 4306 B13R1.158 CC(=O)CCSc1ccccc1O 62a_100000053229_100000739446 [0,1,0,0,0,1|1,1,0]=4 4307 B13R1.158 CC(=O)CCSc1ccccc1O 62a_100000739446_100000053229 [0,1,0,0,0,1|1,1,0]=4 4308 B13R1.158 CC(=O)COCc1ccccc1Br 34a_100000211253_100000184730 [0,1,0,0,0,1|1,0,0]=3 4309 B13R1.158 CC(=O)COCc1ccccc1C 34a_100000211253_100000211839 [0,1,0,0,0,1|1,0,0]=3 4310 B13R1.158 CC(=O)COCc1ccccc1Cl 34a_100000211253_100000187162 [0,1,0,0,0,1|1,0,0]=3 4311 B13R1.158 CC(=O)COCc1ccccc1F 34a_100000211253_100000211605 [0,1,0,0,0,1|1,0,0]=3 4312 B13R1.158 CC(=O)COCc1ccccc1I 34a_100000211253_100011215278 [0,1,0,0,0,1|1,0,0]=3 4313 B13R1.158 CC(=O)COCc1cccnc1Br 34a_100000211253_100010140945 [0,1,0,0,0,1|2,0,0]=4 4314 B13R1.158 CC(=O)COCc1cccnc1C 34a_100000211253_100000732876 [0,1,0,0,0,1|2,0,0]=4 4315 B13R1.158 CC(=O)COCc1cccnc1Cl 34a_100000211253_100000045678 [0,1,0,0,0,1|2,0,0]=4 4316 B13R1.158 CC(=O)COCc1cccnc1F 34a_100000211253_100000099810 [0,1,0,0,0,1|2,0,0]=4 4317 B13R1.158 CC(=O)COCc1ccncc1C 34a_100000211253_100020672809 [0,1,0,0,0,1|2,0,0]=4 4318 B13R1.158 CC(=O)COCc1cnccc1C 34a_100000211253_100000690890 [0,1,0,0,0,1|2,0,0]=4 4319 B13R1.158 CC(=O)COCc1ncccc1Br 34a_100000211253_100025702911 [0,1,0,0,0,1|2,0,0]=4 4320 B13R1.158 CC(=O)COCc1ncccc1C 34a_100000211253_100000696600 [0,1,0,0,0,1|2,0,0]=4 4321 B13R1.158 CC(=O)COCc1ncccc1F 34a_100000211253_100000104219 [0,1,0,0,0,1|2,0,0]=4 4322 B13R1.158 CC(=O)COCc1ncccc1O 34a_100000211253_200020655725 [0,1,0,0,0,1|2,0,0]=4 4323 B13R1.158 CC(=O)CSCc1ccccc1C 1458a_100000150258_200000210301 [0,1,0,0,0,1|1,1,0]=4 4324 B13R1.158 CC(=O)CSCc1ccccc1Cl 1458a_100000150270_200000210301 [0,1,0,0,0,1|1,1,0]=4 4325 B13R1.158 CC(=O)CSCc1ccccc1F 1458a_100000150260_200000210301 [0,1,0,0,0,1|1,1,0]=4 4326 B13R1.158 CC(=O)NCCc1ccccc1Br 11a_100000747383_100015343762 [0,1,0,0,0,1|2,0,0]=4 4327 B13R1.158 CC(=O)NCCc1ccccc1Br 1626a_100000747383_100015343762 [0,1,0,0,0,1|2,0,0]=4 4328 B13R1.158 CC(=O)NCCc1ccccc1Br 240690a_100000747383_100015343762 [0,1,0,0,0,1|2,0,0]=4 4329 B13R1.158 CC(=O)NCCc1ccccc1Br 527a_100000747383_100103153847 [0,1,0,0,0,1|2,0,0]=4 4330 B13R1.158 CC(=O)NCCc1ccccc1C 11a_100000685071_100015343762 [0,1,0,0,0,1|2,0,0]=4 4331 B13R1.158 CC(=O)NCCc1ccccc1C 1626a_100000685071_100015343762 [0,1,0,0,0,1|2,0,0]=4 4332 B13R1.158 CC(=O)NCCc1ccccc1C 240690a_100000685071_100015343762 [0,1,0,0,0,1|2,0,0]=4 4333 B13R1.158 CC(=O)NCCc1ccccc1C 527a_100000685071_100103153847 [0,1,0,0,0,1|2,0,0]=4 4334 B13R1.158 CC(=O)NCCc1ccccc1Cl 11a_100011207228_100015343762 [0,1,0,0,0,1|2,0,0]=4 4335 B13R1.158 CC(=O)NCCc1ccccc1Cl 1626a_100011207228_100015343762 [0,1,0,0,0,1|2,0,0]=4 4336 B13R1.158 CC(=O)NCCc1ccccc1Cl 240690a_100011207228_100015343762 [0,1,0,0,0,1|2,0,0]=4 4337 B13R1.158 CC(=O)NCCc1ccccc1Cl 527a_100011207228_100103153847 [0,1,0,0,0,1|2,0,0]=4 4338 B13R1.158 CC(=O)NCCc1ccccc1F 11a_100000185272_100015343762 [0,1,0,0,0,1|2,0,0]=4 4339 B13R1.158 CC(=O)NCCc1ccccc1F 1626a_100000185272_100015343762 [0,1,0,0,0,1|2,0,0]=4 4340 B13R1.158 CC(=O)NCCc1ccccc1F 240690a_100000185272_100015343762 [0,1,0,0,0,1|2,0,0]=4 4341 B13R1.158 CC(=O)NCCc1ccccc1F 527a_100000185272_100103153847 [0,1,0,0,0,1|2,0,0]=4 4342 B13R1.158 CC(=O)NCCc1ccccc1O 240690a_100011207237_100015343762 [0,1,0,0,0,1|2,0,0]=4 4343 B13R1.158 CC(=O)NCCc1ccccc1O 527a_100011207237_100103153847 [0,1,0,0,0,1|2,0,0]=4 4344 B13R1.158 CC(=O)OCNc1ccccc1Br 34a_100000210017_100009813279 [0,1,0,0,0,1|2,0,0]=4 4345 B13R1.158 CC(=O)OCNc1ccccc1C 34a_100015192222_100009813279 [0,1,0,0,0,1|2,0,0]=4 4346 B13R1.158 CC(=O)OCNc1ccccc1Cl 34a_100000185783_100009813279 [0,1,0,0,0,1|2,0,0]=4 4347 B13R1.158 CC(=O)OCNc1ccccc1F 34a_100000210422_100009813279 [0,1,0,0,0,1|2,0,0]=4 4348 B13R1.158 CC(=O)OCNc1ccccc1I 34a_100000210053_100009813279 [0,1,0,0,0,1|2,0,0]=4 4349 B13R1.158 CC(=O)OCNc1ccccc1O 34a_100000185747_100009813279 [0,1,0,0,0,1|2,0,0]=4 4350 B13R1.158 CC(=O)OCOc1ccccc1Br 34a_100000181306_100009813279 [0,1,0,0,0,1|1,0,0]=3 4351 B13R1.158 CC(=O)OCOc1ccccc1C 34a_100000210338_100009813279 [0,1,0,0,0,1|1,0,0]=3 4352 B13R1.158 CC(=O)OCOc1ccccc1Cl 34a_100000210172_100009813279 [0,1,0,0,0,1|1,0,0]=3 4353 B13R1.158 CC(=O)OCOc1ccccc1F 34a_100000210171_100009813279 [0,1,0,0,0,1|1,0,0]=3 4354 B13R1.158 CC(=O)OCOc1ccccc1I 34a_100000739446_100009813279 [0,1,0,0,0,1|1,0,0]=3 4355 B13R1.158 CC(=O)OCOc1ccccc1N 34a_100000185747_100009813279 [0,1,0,0,0,1|1,0,0]=3 4356 B13R1.158 CC(=O)OCOc1cccnc1Br 34a_100000744436_100009813279 [0,1,0,0,0,1|2,0,0]=4 4357 B13R1.158 CC(=O)OCOc1cccnc1C 34a_100000745507_100009813279 [0,1,0,0,0,1|2,0,0]=4 4358 B13R1.158 CC(=O)OCOc1cccnc1Cl 34a_100000757616_100009813279 [0,1,0,0,0,1|2,0,0]=4 4359 B13R1.158 CC(=O)OCOc1cccnc1F 34a_100000061740_100009813279 [0,1,0,0,0,1|2,0,0]=4 4360 B13R1.158 CC(=O)OCOc1cccnc1I 34a_100000034122_100009813279 [0,1,0,0,0,1|2,0,0]=4 4361 B13R1.158 CC(=O)OCOc1cccnc1N 34a_100000211975_100009813279 [0,1,0,0,0,1|2,0,0]=4 4362 B13R1.158 CC(=O)OCOc1cccoc1=O 34a_100000077404_100009813279 [0,1,0,0,0,1|2,0,0]=4 4363 B13R1.158 CC(=O)OCOc1ccncc1Br 34a_100011996408_100009813279 [0,1,0,0,0,1|2,0,0]=4 4364 B13R1.158 CC(=O)OCOc1ccncc1C 34a_100000694293_100009813279 [0,1,0,0,0,1|2,0,0]=4 4365 B13R1.158 CC(=O)OCOc1ccncc1Cl 34a_100011997054_100009813279 [0,1,0,0,0,1|2,0,0]=4 4366 B13R1.158 CC(=O)OCOc1ccncc1F 34a_200000081243_100009813279 [0,1,0,0,0,1|2,0,0]=4 4367 B13R1.158 CC(=O)OCOc1cnccc1C 34a_100011997053_100009813279 [0,1,0,0,0,1|2,0,0]=4 4368 B13R1.158 CC(=O)OCOc1cnccc1Cl 34a_100011996695_100009813279 [0,1,0,0,0,1|2,0,0]=4 4369 B13R1.158 CC(=O)OCOc1cnccc1I 34a_100000050107_100009813279 [0,1,0,0,0,1|2,0,0]=4 4370 B13R1.158 CC(=O)OCOc1cnccc1N 34a_100000753702_100009813279 [0,1,0,0,0,1|2,0,0]=4 4371 B13R1.158 CC(=O)OCOc1coccc1=O 34a_100000060831_100009813279 [0,1,0,0,0,1|2,0,0]=4 4372 B13R1.158 CC(=O)OCOc1ncccc1Cl 34a_100011290957_100009813279 [0,1,0,0,0,1|2,0,0]=4 4373 B13R1.158 CC(=O)OCOc1ncccc1F 34a_100011219419_100009813279 [0,1,0,0,0,1|2,0,0]=4 4374 B13R1.158 CC(=O)OCOc1ncccc1N 34a_100000746358_100009813279 [0,1,0,0,0,1|2,0,0]=4 4375 B13R1.158 CC(=O)OCSc1ccccc1Br 62a_100000076356_100000695589 [0,1,0,0,0,1|1,1,0]=4 4376 B13R1.158 CC(=O)OCSc1ccccc1Br 62a_100000695589_100000076356 [0,1,0,0,0,1|1,1,0]=4 4377 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000076356_100000210755 [0,1,0,0,0,1|1,1,0]=4 4378 B13R1.158 CC(=O)OCSc1ccccc1C 62a_100000210755_100000076356 [0,1,0,0,0,1|1,1,0]=4 4379 B13R1.158 CC(=O)OCSc1ccccc1Cl 62a_100000076356_100000764095 [0,1,0,0,0,1|1,1,0]=4 4380 B13R1.158 CC(=O)OCSc1ccccc1Cl 62a_100000764095_100000076356 [0,1,0,0,0,1|1,1,0]=4 4381 B13R1.158 CC(=O)OCSc1ccccc1F 62a_100000076356_100011215700 [0,1,0,0,0,1|1,1,0]=4 4382 B13R1.158 CC(=O)OCSc1ccccc1F 62a_100011215700_100000076356 [0,1,0,0,0,1|1,1,0]=4 4383 B13R1.158 CC(=O)OCSc1ccccc1N 62a_100000076356_100000210017 [0,1,0,0,0,1|1,1,0]=4 4384 B13R1.158 CC(=O)OCSc1ccccc1N 62a_100000210017_100000076356 [0,1,0,0,0,1|1,1,0]=4 4385 B13R1.158 CC(=O)OCSc1ccccc1O 62a_100000076356_100000739446 [0,1,0,0,0,1|1,1,0]=4 4386 B13R1.158 CC(=O)OCSc1ccccc1O 62a_100000739446_100000076356 [0,1,0,0,0,1|1,1,0]=4 4387 B13R1.158 CC(O)CCOc1ccccc1Br 34a_100000181306_100012276601 [0,1,0,0,0,1|1,0,1]=4 4388 B13R1.158 CC(O)CCOc1ccccc1Br 7a_100000181306_100012276601 [0,1,0,0,0,1|1,0,1]=4 4389 B13R1.158 CC(O)CCOc1ccccc1Cl 34a_100000210172_100012276601 [0,1,0,0,0,1|1,0,1]=4 4390 B13R1.158 CC(O)CCOc1ccccc1Cl 7a_100000210172_100012276601 [0,1,0,0,0,1|1,0,1]=4 4391 B13R1.158 CC(O)CCOc1ccccc1F 34a_100000210171_100012276601 [0,1,0,0,0,1|1,0,1]=4 4392 B13R1.158 CC(O)CCOc1ccccc1F 7a_100000210171_100012276601 [0,1,0,0,0,1|1,0,1]=4 4393 B13R1.158 CC(O)CCOc1ccccc1I 34a_100000739446_100012276601 [0,1,0,0,0,1|1,0,1]=4 4394 B13R1.158 CC(O)CCOc1ccccc1I 7a_100000739446_100012276601 [0,1,0,0,0,1|1,0,1]=4 4395 B13R1.158 CC(O)CCOc1ccccc1N 34a_100000185747_100012276601 [0,1,0,0,0,1|1,0,1]=4 4396 B13R1.158 CC(O)CCOc1ccccc1N 7a_100000185747_100012276601 [0,1,0,0,0,1|1,0,1]=4 4397 B13R1.158 CC(O)COCc1ccccc1Br 34a_100000756307_100011218427 [0,1,0,0,0,1|1,0,1]=4 4398 B13R1.158 CC(O)COCc1ccccc1Br 7a_100000756307_100011218427 [0,1,0,0,0,1|1,0,1]=4 4399 B13R1.158 CC(O)COCc1ccccc1Cl 34a_100000210847_100011218427 [0,1,0,0,0,1|1,0,1]=4 4400 B13R1.158 CC(O)COCc1ccccc1Cl 7a_100000210847_100011218427 [0,1,0,0,0,1|1,0,1]=4 4401 B13R1.158 CC(O)COCc1ccccc1F 34a_100000211962_100011218427 [0,1,0,0,0,1|1,0,1]=4 4402 B13R1.158 CC(O)COCc1ccccc1F 7a_100000211962_100011218427 [0,1,0,0,0,1|1,0,1]=4 4403 B13R1.158 CC(O)COCc1ccccc1I 34a_100000187465_100011218427 [0,1,0,0,0,1|1,0,1]=4 4404 B13R1.158 CC(O)COCc1ccccc1I 7a_100000187465_100011218427 [0,1,0,0,0,1|1,0,1]=4 4405 B13R1.158 CC(O)COCc1ccccc1N 34a_100000212039_100011218427 [0,1,0,0,0,1|1,0,1]=4 4406 B13R1.158 C[C@@H](O)COCc1ccccc1Br 34a_100000756307_100009817552 [0,1,0,0,0,1|1,0,1]=4 4407 B13R1.158 C[C@@H](O)COCc1ccccc1Br 7a_100000756307_100009817552 [0,1,0,0,0,1|1,0,1]=4 4408 B13R1.158 C[C@@H](O)COCc1ccccc1Cl 34a_100000210847_100009817552 [0,1,0,0,0,1|1,0,1]=4 4409 B13R1.158 C[C@@H](O)COCc1ccccc1Cl 7a_100000210847_100009817552 [0,1,0,0,0,1|1,0,1]=4 4410 B13R1.158 C[C@@H](O)COCc1ccccc1F 34a_100000211962_100009817552 [0,1,0,0,0,1|1,0,1]=4 4411 B13R1.158 C[C@@H](O)COCc1ccccc1F 7a_100000211962_100009817552 [0,1,0,0,0,1|1,0,1]=4 4412 B13R1.158 C[C@@H](O)COCc1ccccc1I 34a_100000187465_100009817552 [0,1,0,0,0,1|1,0,1]=4 4413 B13R1.158 C[C@@H](O)COCc1ccccc1I 7a_100000187465_100009817552 [0,1,0,0,0,1|1,0,1]=4 4414 B13R1.158 C[C@@H](O)COCc1ccccc1N 34a_100000212039_100009817552 [0,1,0,0,0,1|1,0,1]=4 4415 B13R1.158 Cc1ccccc1CNCC(=O)N 2230a_100000711301_100000211839 [0,1,0,0,0,1|2,0,0]=4 4416 B13R1.158 Cc1ccccc1CNCC(=O)N 34a_100000174972_100000187820 [0,1,0,0,0,1|2,0,0]=4 4417 B13R1.158 Cc1ccccc1CNCC(=O)O 269956a_100016091260_100000211750 [0,1,0,0,0,1|1,0,0]=3 4418 B13R1.158 Cc1ccccc1CNCC(=O)[O-] 34a_100000174972_100020667443 [0,1,0,0,0,1|1,0,1]=4 4419 B13R1.158 Cc1ccccc1COCC(=O)N 34a_100000698903_100000187820 [0,1,0,0,0,1|1,0,0]=3 4420 B13R1.158 Cc1ccccc1COCC(=O)N 7a_100000698903_100000187820 [0,1,0,0,0,1|1,0,0]=3 4421 B13R1.158 Cc1ccccc1COCC(=O)[O-] 34a_100000698903_100020667443 [0,1,0,0,0,1|0,0,1]=3 4422 B13R1.158 Cc1ccccc1COCC(C)O 34a_100000698903_100011218427 [0,1,0,0,0,1|1,0,1]=4 4423 B13R1.158 Cc1ccccc1COCC(C)O 7a_100000698903_100011218427 [0,1,0,0,0,1|1,0,1]=4 4424 B13R1.158 Cc1ccccc1COC[C@@H](C)O 34a_100000698903_100009817552 [0,1,0,0,0,1|1,0,1]=4 4425 B13R1.158 Cc1ccccc1COC[C@@H](C)O 7a_100000698903_100009817552 [0,1,0,0,0,1|1,0,1]=4 4426 B13R1.158 Cc1ccccc1COC[N+](=O)[O-] 34a_100000698903_100000761209 [0,1,0,0,0,1|1,0,1]=4 4427 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000211839_100000747473 [0,1,0,0,0,1|1,1,0]=4 4428 B13R1.158 Cc1ccccc1CSCC(=O)N 62a_100000747473_100000211839 [0,1,0,0,0,1|1,1,0]=4 4429 B13R1.158 Cc1ccccc1CSCC(=O)[13CH3] 1458a_100000150258_200025704644 [0,1,0,0,0,1|1,1,0]=4 4430 B13R1.158 Cc1ccccc1CSCC(=O)[O-] 62a_100000211839_100020667443 [0,1,0,0,0,1|0,1,1]=4 4431 B13R1.158 Cc1ccccc1CSCC(=O)[O-] 62a_100020667443_100000211839 [0,1,0,0,0,1|0,1,1]=4 4432 B13R1.158 Cc1ccccc1NCCC(=O)N 34a_100015192222_100000731001 [0,1,0,0,0,1|2,0,0]=4 4433 B13R1.158 Cc1ccccc1OCCC(=O)N 34a_100000210338_100000731001 [0,1,0,0,0,1|1,0,0]=3 4434 B13R1.158 Cc1ccccc1OCCC(=O)N 7a_100000210338_100000744528 [0,1,0,0,0,1|1,0,0]=3 4435 B13R1.158 Cc1ccccc1OCCC(=O)[13CH3] 1458a_100000182324_200025704644 [0,1,0,0,0,1|1,0,0]=3 4436 B13R1.158 Cc1ccccc1OCCC(C)O 34a_100000210338_100012276601 [0,1,0,0,0,1|1,0,1]=4 4437 B13R1.158 Cc1ccccc1OCCC(C)O 7a_100000210338_100012276601 [0,1,0,0,0,1|1,0,1]=4 4438 B13R1.158 Cc1ccccc1SCCC(=O)N 62a_100000210755_100000744528 [0,1,0,0,0,1|1,1,0]=4 4439 B13R1.158 Cc1ccccc1SCCC(=O)N 62a_100000744528_100000210755 [0,1,0,0,0,1|1,1,0]=4 4440 B13R1.158 Cc1cccnc1CNCC(=O)O 269956a_100016091260_100000696600 [0,1,0,0,0,1|2,0,0]=4 4441 B13R1.158 Cc1cccnc1COCC(=O)N 34a_100000698912_100000187820 [0,1,0,0,0,1|2,0,0]=4 4442 B13R1.158 Cc1cccnc1COCC(=O)[O-] 34a_100000698912_100020667443 [0,1,0,0,0,1|1,0,1]=4 4443 B13R1.158 Cc1ccncc1CNCC(=O)O 269956a_100016091260_100000690890 [0,1,0,0,0,1|2,0,0]=4 4444 B13R1.158 Cc1ccncc1COCC(=O)N 34a_100011996381_100000187820 [0,1,0,0,0,1|2,0,0]=4 4445 B13R1.158 Cc1ccncc1COCC(=O)[O-] 34a_100011996381_100020667443 [0,1,0,0,0,1|1,0,1]=4 4446 B13R1.158 Cc1ccncc1OCCC(=O)N 34a_100011997053_100000731001 [0,1,0,0,0,1|2,0,0]=4 4447 B13R1.158 Cc1ccncc1OCCC(=O)N 7a_100011997053_100000744528 [0,1,0,0,0,1|2,0,0]=4 4448 B13R1.158 Cc1cnccc1CNCC(=O)O 269956a_100016091260_100020672808 [0,1,0,0,0,1|2,0,0]=4 4449 B13R1.158 Cc1cnccc1COCC(=O)N 34a_100011997032_100000187820 [0,1,0,0,0,1|2,0,0]=4 4450 B13R1.158 Cc1cnccc1COCC(=O)[O-] 34a_100011997032_100020667443 [0,1,0,0,0,1|1,0,1]=4 4451 B13R1.158 Cc1cnccc1OCCC(=O)N 34a_100000694293_100000731001 [0,1,0,0,0,1|2,0,0]=4 4452 B13R1.158 Cc1ncccc1CNCC(=O)O 269956a_100016091260_100000732876 [0,1,0,0,0,1|2,0,0]=4 4453 B13R1.158 Cc1ncccc1COCC(=O)N 34a_100000729262_100000187820 [0,1,0,0,0,1|2,0,0]=4 4454 B13R1.158 Cc1ncccc1COCC(=O)N 7a_100000729262_100000187820 [0,1,0,0,0,1|2,0,0]=4 4455 B13R1.158 Cc1ncccc1COCC(=O)[O-] 34a_100000729262_100020667443 [0,1,0,0,0,1|1,0,1]=4 4456 B13R1.158 Cc1ncccc1OCCC(=O)N 34a_100000745507_100000731001 [0,1,0,0,0,1|2,0,0]=4 4457 B13R1.158 Cc1ncccc1OCCC(=O)N 7a_100000745507_100000744528 [0,1,0,0,0,1|2,0,0]=4 4458 B13R1.158 NC(=O)CCNc1ccccc1Br 34a_100000210017_100000731001 [0,1,0,0,0,1|2,0,0]=4 4459 B13R1.158 NC(=O)CCNc1ccccc1Cl 34a_100000185783_100000731001 [0,1,0,0,0,1|2,0,0]=4 4460 B13R1.158 NC(=O)CCNc1ccccc1F 34a_100000210422_100000731001 [0,1,0,0,0,1|2,0,0]=4 4461 B13R1.158 NC(=O)CCNc1ccccc1I 34a_100000210053_100000731001 [0,1,0,0,0,1|2,0,0]=4 4462 B13R1.158 NC(=O)CCNc1ccccc1O 34a_100000185747_100000731001 [0,1,0,0,0,1|2,0,0]=4 4463 B13R1.158 NC(=O)CCOc1cccc[n+]1[O-] 7a_100000211761_100000744528 [0,1,0,0,0,1|2,0,0]=4 4464 B13R1.158 NC(=O)CCOc1ccccc1Br 34a_100000181306_100000731001 [0,1,0,0,0,1|1,0,0]=3 4465 B13R1.158 NC(=O)CCOc1ccccc1Br 7a_100000181306_100000744528 [0,1,0,0,0,1|1,0,0]=3 4466 B13R1.158 NC(=O)CCOc1ccccc1Cl 34a_100000210172_100000731001 [0,1,0,0,0,1|1,0,0]=3 4467 B13R1.158 NC(=O)CCOc1ccccc1Cl 7a_100000210172_100000744528 [0,1,0,0,0,1|1,0,0]=3 4468 B13R1.158 NC(=O)CCOc1ccccc1F 34a_100000210171_100000731001 [0,1,0,0,0,1|1,0,0]=3 4469 B13R1.158 NC(=O)CCOc1ccccc1F 7a_100000210171_100000744528 [0,1,0,0,0,1|1,0,0]=3 4470 B13R1.158 NC(=O)CCOc1ccccc1I 34a_100000739446_100000731001 [0,1,0,0,0,1|1,0,0]=3 4471 B13R1.158 NC(=O)CCOc1ccccc1I 7a_100000739446_100000744528 [0,1,0,0,0,1|1,0,0]=3 4472 B13R1.158 NC(=O)CCOc1ccccc1N 34a_100000185747_100000731001 [0,1,0,0,0,1|1,0,0]=3 4473 B13R1.158 NC(=O)CCOc1ccccc1N 7a_100000185747_100000744528 [0,1,0,0,0,1|1,0,0]=3 4474 B13R1.158 NC(=O)CCOc1cccnc1Br 34a_100000744436_100000731001 [0,1,0,0,0,1|2,0,0]=4 4475 B13R1.158 NC(=O)CCOc1cccnc1Br 7a_100000744436_100000744528 [0,1,0,0,0,1|2,0,0]=4 4476 B13R1.158 NC(=O)CCOc1cccnc1Cl 34a_100000757616_100000731001 [0,1,0,0,0,1|2,0,0]=4 4477 B13R1.158 NC(=O)CCOc1cccnc1Cl 7a_100000757616_100000744528 [0,1,0,0,0,1|2,0,0]=4 4478 B13R1.158 NC(=O)CCOc1cccnc1F 34a_100000061740_100000731001 [0,1,0,0,0,1|2,0,0]=4 4479 B13R1.158 NC(=O)CCOc1cccnc1F 7a_100000061740_100000744528 [0,1,0,0,0,1|2,0,0]=4 4480 B13R1.158 NC(=O)CCOc1cccnc1I 34a_100000034122_100000731001 [0,1,0,0,0,1|2,0,0]=4 4481 B13R1.158 NC(=O)CCOc1cccnc1I 7a_100000034122_100000744528 [0,1,0,0,0,1|2,0,0]=4 4482 B13R1.158 NC(=O)CCOc1cccnc1N 34a_100000211975_100000731001 [0,1,0,0,0,1|2,0,0]=4 4483 B13R1.158 NC(=O)CCOc1cccnc1N 7a_100000211975_100000744528 [0,1,0,0,0,1|2,0,0]=4 4484 B13R1.158 NC(=O)CCOc1cccoc1=O 34a_100000077404_100000731001 [0,1,0,0,0,1|2,0,0]=4 4485 B13R1.158 NC(=O)CCOc1cccoc1=O 7a_100000077404_100000744528 [0,1,0,0,0,1|2,0,0]=4 4486 B13R1.158 NC(=O)CCOc1ccncc1Br 34a_100011996408_100000731001 [0,1,0,0,0,1|2,0,0]=4 4487 B13R1.158 NC(=O)CCOc1ccncc1Cl 34a_100011997054_100000731001 [0,1,0,0,0,1|2,0,0]=4 4488 B13R1.158 NC(=O)CCOc1ccncc1F 34a_200000081243_100000731001 [0,1,0,0,0,1|2,0,0]=4 4489 B13R1.158 NC(=O)CCOc1cnccc1Cl 34a_100011996695_100000731001 [0,1,0,0,0,1|2,0,0]=4 4490 B13R1.158 NC(=O)CCOc1cnccc1I 34a_100000050107_100000731001 [0,1,0,0,0,1|2,0,0]=4 4491 B13R1.158 NC(=O)CCOc1cnccc1N 34a_100000753702_100000731001 [0,1,0,0,0,1|2,0,0]=4 4492 B13R1.158 NC(=O)CCOc1coccc1=O 34a_100000060831_100000731001 [0,1,0,0,0,1|2,0,0]=4 4493 B13R1.158 NC(=O)CCOc1ncccc1Cl 34a_100011290957_100000731001 [0,1,0,0,0,1|2,0,0]=4 4494 B13R1.158 NC(=O)CCOc1ncccc1F 34a_100011219419_100000731001 [0,1,0,0,0,1|2,0,0]=4 4495 B13R1.158 NC(=O)CCOc1ncccc1N 34a_100000746358_100000731001 [0,1,0,0,0,1|2,0,0]=4 4496 B13R1.158 NC(=O)CCSc1ccccc1Br 62a_100000695589_100000744528 [0,1,0,0,0,1|1,1,0]=4 4497 B13R1.158 NC(=O)CCSc1ccccc1Br 62a_100000744528_100000695589 [0,1,0,0,0,1|1,1,0]=4 4498 B13R1.158 NC(=O)CCSc1ccccc1Cl 62a_100000744528_100000764095 [0,1,0,0,0,1|1,1,0]=4 4499 B13R1.158 NC(=O)CCSc1ccccc1Cl 62a_100000764095_100000744528 [0,1,0,0,0,1|1,1,0]=4 4500 B13R1.158 NC(=O)CCSc1ccccc1F 62a_100000744528_100011215700 [0,1,0,0,0,1|1,1,0]=4 4501 B13R1.158 NC(=O)CCSc1ccccc1F 62a_100011215700_100000744528 [0,1,0,0,0,1|1,1,0]=4 4502 B13R1.158 NC(=O)CCSc1ccccc1N 62a_100000210017_100000744528 [0,1,0,0,0,1|1,1,0]=4 4503 B13R1.158 NC(=O)CCSc1ccccc1N 62a_100000744528_100000210017 [0,1,0,0,0,1|1,1,0]=4 4504 B13R1.158 NC(=O)CCSc1ccccc1O 62a_100000739446_100000744528 [0,1,0,0,0,1|1,1,0]=4 4505 B13R1.158 NC(=O)CCSc1ccccc1O 62a_100000744528_100000739446 [0,1,0,0,0,1|1,1,0]=4 4506 B13R1.158 NC(=O)CNCc1ccccc1Br 2230a_100000689332_100000747473 [0,1,0,0,0,1|2,0,0]=4 4507 B13R1.158 NC(=O)CNCc1ccccc1Br 2230a_100000711301_100000184730 [0,1,0,0,0,1|2,0,0]=4 4508 B13R1.158 NC(=O)CNCc1ccccc1Br 34a_100000689332_100000187820 [0,1,0,0,0,1|2,0,0]=4 4509 B13R1.158 NC(=O)CNCc1ccccc1Cl 2230a_100000174879_100000747473 [0,1,0,0,0,1|2,0,0]=4 4510 B13R1.158 NC(=O)CNCc1ccccc1Cl 2230a_100000711301_100000187162 [0,1,0,0,0,1|2,0,0]=4 4511 B13R1.158 NC(=O)CNCc1ccccc1Cl 34a_100000174879_100000187820 [0,1,0,0,0,1|2,0,0]=4 4512 B13R1.158 NC(=O)CNCc1ccccc1F 2230a_100000711301_100000211605 [0,1,0,0,0,1|2,0,0]=4 4513 B13R1.158 NC(=O)CNCc1ccccc1F 34a_100000174869_100000187820 [0,1,0,0,0,1|2,0,0]=4 4514 B13R1.158 NC(=O)CNCc1ccccc1I 2230a_100000711301_100011215278 [0,1,0,0,0,1|2,0,0]=4 4515 B13R1.158 NC(=O)CNCc1ccccc1O 34a_100000185550_100000187820 [0,1,0,0,0,1|2,0,0]=4 4516 B13R1.158 NC(=O)COCc1ccccc1Br 34a_100000756307_100000187820 [0,1,0,0,0,1|1,0,0]=3 4517 B13R1.158 NC(=O)COCc1ccccc1Br 7a_100000756307_100000187820 [0,1,0,0,0,1|1,0,0]=3 4518 B13R1.158 NC(=O)COCc1ccccc1Cl 34a_100000210847_100000187820 [0,1,0,0,0,1|1,0,0]=3 4519 B13R1.158 NC(=O)COCc1ccccc1Cl 7a_100000210847_100000187820 [0,1,0,0,0,1|1,0,0]=3 4520 B13R1.158 NC(=O)COCc1ccccc1F 34a_100000211962_100000187820 [0,1,0,0,0,1|1,0,0]=3 4521 B13R1.158 NC(=O)COCc1ccccc1F 7a_100000211962_100000187820 [0,1,0,0,0,1|1,0,0]=3 4522 B13R1.158 NC(=O)COCc1ccccc1I 34a_100000187465_100000187820 [0,1,0,0,0,1|1,0,0]=3 4523 B13R1.158 NC(=O)COCc1ccccc1I 7a_100000187465_100000187820 [0,1,0,0,0,1|1,0,0]=3 4524 B13R1.158 NC(=O)COCc1ccccc1N 34a_100000212039_100000187820 [0,1,0,0,0,1|1,0,0]=3 4525 B13R1.158 NC(=O)COCc1cccnc1Br 34a_100000719692_100000187820 [0,1,0,0,0,1|2,0,0]=4 4526 B13R1.158 NC(=O)COCc1cccnc1Br 7a_100000719692_100000187820 [0,1,0,0,0,1|2,0,0]=4 4527 B13R1.158 NC(=O)COCc1cccnc1Cl 34a_100000748726_100000187820 [0,1,0,0,0,1|2,0,0]=4 4528 B13R1.158 NC(=O)COCc1cccnc1Cl 7a_100000748726_100000187820 [0,1,0,0,0,1|2,0,0]=4 4529 B13R1.158 NC(=O)COCc1cccnc1F 34a_100000079888_100000187820 [0,1,0,0,0,1|2,0,0]=4 4530 B13R1.158 NC(=O)COCc1cccnc1F 7a_100000079888_100000187820 [0,1,0,0,0,1|2,0,0]=4 4531 B13R1.158 NC(=O)COCc1ccncc1F 34a_100012172863_100000187820 [0,1,0,0,0,1|2,0,0]=4 4532 B13R1.158 NC(=O)COCc1cnccc1Cl 34a_100000117392_100000187820 [0,1,0,0,0,1|2,0,0]=4 4533 B13R1.158 NC(=O)COCc1ncccc1Br 34a_100011996772_100000187820 [0,1,0,0,0,1|2,0,0]=4 4534 B13R1.158 NC(=O)COCc1ncccc1Cl 34a_100012002383_100000187820 [0,1,0,0,0,1|2,0,0]=4 4535 B13R1.158 NC(=O)COCc1ncccc1F 34a_100011934865_100000187820 [0,1,0,0,0,1|2,0,0]=4 4536 B13R1.158 NC(=O)COCc1ncccc1N 34a_114873767017_100000187820 [0,1,0,0,0,1|2,0,0]=4 4537 B13R1.158 NC(=O)CSCc1ccccc1Br 62a_100000184730_100000747473 [0,1,0,0,0,1|1,1,0]=4 4538 B13R1.158 NC(=O)CSCc1ccccc1Br 62a_100000747473_100000184730 [0,1,0,0,0,1|1,1,0]=4 4539 B13R1.158 NC(=O)CSCc1ccccc1Cl 62a_100000187162_100000747473 [0,1,0,0,0,1|1,1,0]=4 4540 B13R1.158 NC(=O)CSCc1ccccc1Cl 62a_100000747473_100000187162 [0,1,0,0,0,1|1,1,0]=4 4541 B13R1.158 NC(=O)CSCc1ccccc1F 62a_100000211605_100000747473 [0,1,0,0,0,1|1,1,0]=4 4542 B13R1.158 NC(=O)CSCc1ccccc1F 62a_100000747473_100000211605 [0,1,0,0,0,1|1,1,0]=4 4543 B13R1.158 NC(=O)CSCc1ccccc1I 62a_100000747473_100011216222 [0,1,0,0,0,1|1,1,0]=4 4544 B13R1.158 NC(=O)CSCc1ccccc1I 62a_100011216222_100000747473 [0,1,0,0,0,1|1,1,0]=4 4545 B13R1.158 Nc1ccccc1COCC(=O)[O-] 34a_100000212039_100020667443 [0,1,0,0,0,1|0,0,1]=3 4546 B13R1.158 Nc1ccccc1COC[N+](=O)[O-] 34a_100000212039_100000761209 [0,1,0,0,0,1|1,0,1]=4 4547 B13R1.158 Nc1cccnc1COCC(=O)[O-] 34a_114873767017_100020667443 [0,1,0,0,0,1|1,0,1]=4 4548 B13R1.158 O=C(O)CNCc1ccccc1Br 269956a_100016091260_100000184730 [0,1,0,0,0,1|1,0,0]=3 4549 B13R1.158 O=C(O)CNCc1ccccc1Cl 269956a_100016091260_100000187162 [0,1,0,0,0,1|1,0,0]=3 4550 B13R1.158 O=C(O)CNCc1ccccc1F 269956a_100016091260_100000187165 [0,1,0,0,0,1|1,0,0]=3 4551 B13R1.158 O=C(O)CNCc1ccccc1I 269956a_100016091260_100011216222 [0,1,0,0,0,1|1,0,0]=3 4552 B13R1.158 O=C(O)CNCc1cccnc1Br 269956a_100016091260_100010140945 [0,1,0,0,0,1|2,0,0]=4 4553 B13R1.158 O=C(O)CNCc1cccnc1Cl 269956a_100016091260_100000045678 [0,1,0,0,0,1|2,0,0]=4 4554 B13R1.158 O=C(O)CNCc1cccnc1F 269956a_100016091260_100000099810 [0,1,0,0,0,1|2,0,0]=4 4555 B13R1.158 O=C(O)CNCc1ccncc1Cl 269956a_100016091260_100000763264 [0,1,0,0,0,1|2,0,0]=4 4556 B13R1.158 O=C(O)CNCc1ncccc1Br 269956a_100016091260_100025702911 [0,1,0,0,0,1|2,0,0]=4 4557 B13R1.158 O=C(O)CNCc1ncccc1Cl 269956a_100016091260_100000099807 [0,1,0,0,0,1|2,0,0]=4 4558 B13R1.158 O=C(O)CNCc1ncccc1F 269956a_100016091260_100000104219 [0,1,0,0,0,1|2,0,0]=4 4559 B13R1.158 O=C(O)CNCc1ncccc1O 269956a_100016091260_200020655725 [0,1,0,0,0,1|2,0,0]=4 4560 B13R1.158 O=C([O-])CNCc1ccccc1Br 34a_100000689332_100020667443 [0,1,0,0,0,1|1,0,1]=4 4561 B13R1.158 O=C([O-])CNCc1ccccc1Cl 34a_100000174879_100020667443 [0,1,0,0,0,1|1,0,1]=4 4562 B13R1.158 O=C([O-])CNCc1ccccc1F 34a_100000174869_100020667443 [0,1,0,0,0,1|1,0,1]=4 4563 B13R1.158 O=C([O-])CNCc1ccccc1O 34a_100000185550_100020667443 [0,1,0,0,0,1|1,0,1]=4 4564 B13R1.158 O=C([O-])COCc1ccccc1Br 34a_100000756307_100020667443 [0,1,0,0,0,1|0,0,1]=3 4565 B13R1.158 O=C([O-])COCc1ccccc1Cl 34a_100000210847_100020667443 [0,1,0,0,0,1|0,0,1]=3 4566 B13R1.158 O=C([O-])COCc1ccccc1F 34a_100000211962_100020667443 [0,1,0,0,0,1|0,0,1]=3 4567 B13R1.158 O=C([O-])COCc1ccccc1I 34a_100000187465_100020667443 [0,1,0,0,0,1|0,0,1]=3 4568 B13R1.158 O=C([O-])COCc1cccnc1Br 34a_100000719692_100020667443 [0,1,0,0,0,1|1,0,1]=4 4569 B13R1.158 O=C([O-])COCc1cccnc1Cl 34a_100000748726_100020667443 [0,1,0,0,0,1|1,0,1]=4 4570 B13R1.158 O=C([O-])COCc1cccnc1F 34a_100000079888_100020667443 [0,1,0,0,0,1|1,0,1]=4 4571 B13R1.158 O=C([O-])COCc1ccncc1F 34a_100012172863_100020667443 [0,1,0,0,0,1|1,0,1]=4 4572 B13R1.158 O=C([O-])COCc1cnccc1Cl 34a_100000117392_100020667443 [0,1,0,0,0,1|1,0,1]=4 4573 B13R1.158 O=C([O-])COCc1ncccc1Br 34a_100011996772_100020667443 [0,1,0,0,0,1|1,0,1]=4 4574 B13R1.158 O=C([O-])COCc1ncccc1Cl 34a_100012002383_100020667443 [0,1,0,0,0,1|1,0,1]=4 4575 B13R1.158 O=C([O-])COCc1ncccc1F 34a_100011934865_100020667443 [0,1,0,0,0,1|1,0,1]=4 4576 B13R1.158 O=C([O-])CSCc1ccccc1Br 62a_100000184730_100020667443 [0,1,0,0,0,1|0,1,1]=4 4577 B13R1.158 O=C([O-])CSCc1ccccc1Br 62a_100020667443_100000184730 [0,1,0,0,0,1|0,1,1]=4 4578 B13R1.158 O=C([O-])CSCc1ccccc1Cl 62a_100000187162_100020667443 [0,1,0,0,0,1|0,1,1]=4 4579 B13R1.158 O=C([O-])CSCc1ccccc1Cl 62a_100020667443_100000187162 [0,1,0,0,0,1|0,1,1]=4 4580 B13R1.158 O=C([O-])CSCc1ccccc1F 62a_100000211605_100020667443 [0,1,0,0,0,1|0,1,1]=4 4581 B13R1.158 O=C([O-])CSCc1ccccc1F 62a_100020667443_100000211605 [0,1,0,0,0,1|0,1,1]=4 4582 B13R1.158 O=C([O-])CSCc1ccccc1I 62a_100011216222_100020667443 [0,1,0,0,0,1|0,1,1]=4 4583 B13R1.158 O=C([O-])CSCc1ccccc1I 62a_100020667443_100011216222 [0,1,0,0,0,1|0,1,1]=4 4584 B13R1.158 O=[N+]([O-])COCc1ccccc1Br 34a_100000756307_100000761209 [0,1,0,0,0,1|1,0,1]=4 4585 B13R1.158 O=[N+]([O-])COCc1ccccc1Cl 34a_100000210847_100000761209 [0,1,0,0,0,1|1,0,1]=4 4586 B13R1.158 O=[N+]([O-])COCc1ccccc1F 34a_100000211962_100000761209 [0,1,0,0,0,1|1,0,1]=4 4587 B13R1.158 O=[N+]([O-])COCc1ccccc1I 34a_100000187465_100000761209 [0,1,0,0,0,1|1,0,1]=4 4588 B13R1.158 [13CH3]C(=O)CCCc1ccccc1Cl 1458a_100000700343_200025704644 [0,1,0,0,0,1|2,0,0]=4 4589 B13R1.158 [13CH3]C(=O)CCCc1ccccc1O 1458a_100009859317_200025704644 [0,1,0,0,0,1|2,0,0]=4 4590 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Br 1458a_100000740817_200025704644 [0,1,0,0,0,1|1,0,0]=3 4591 B13R1.158 [13CH3]C(=O)CCOc1ccccc1Cl 1458a_100000240438_200025704644 [0,1,0,0,0,1|1,0,0]=3 4592 B13R1.158 [13CH3]C(=O)CCOc1ccccc1F 1458a_100000184057_200025704644 [0,1,0,0,0,1|1,0,0]=3 4593 B13R1.158 [13CH3]C(=O)CCSc1ccccc1F 1458a_100000208832_200025704644 [0,1,0,0,0,1|1,1,0]=4 4594 B13R1.158 [13CH3]C(=O)CSCc1ccccc1Cl 1458a_100000150270_200025704644 [0,1,0,0,0,1|1,1,0]=4 4595 B13R1.158 [13CH3]C(=O)CSCc1ccccc1F 1458a_100000150260_200025704644 [0,1,0,0,0,1|1,1,0]=4 4596 B13R1.348 CC(=O)CC(=O)Cc1ccccc1 1458a_100000070787_100000233483 [0,1,0,0,0,1|2,0,0]=4 4597 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,1,0,0,0,1|2,0,0]=4 4598 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,1,0,0,0,1|1,0,0]=3 4599 B13R1.348 CC(=O)CN(C)Cc1ccccc1 1458a_100000745601_200000210301 [0,1,0,0,0,1|2,0,0]=4 4600 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100000719477_100009818208 [0,1,0,0,0,1|1,1,0]=4 4601 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100009818208_100000041952 [0,1,0,0,0,1|1,1,0]=4 4602 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000186898_100000747473 [0,1,0,0,0,1|2,0,0]=4 4603 B13R1.348 CN(CC(=O)N)Cc1ccccc1 2230a_100000739694_100015291786 [0,1,0,0,0,1|2,0,0]=4 4604 B13R1.348 CN(CC(=O)N)Cc1ccccc1 269982a_100000186898_100000187820 [0,1,0,0,0,1|2,0,0]=4 4605 B13R1.348 CN(CC(=O)N)Cc1ccccc1 270004a_100000739694_100015611070 [0,1,0,0,0,1|2,0,0]=4 4606 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,1,0,0,0,1|1,0,0]=3 4607 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,1,0,0,0,1|1,0,0]=3 4608 B13R1.348 CN(CC(=O)O)Cc1ccccn1 269956a_100000746989_100000721315 [0,1,0,0,0,1|2,0,0]=4 4609 B13R1.348 CN(CC(=O)O)Cc1cccnc1 269956a_100000746989_100000733263 [0,1,0,0,0,1|2,0,0]=4 4610 B13R1.348 CN(CC(=O)O)Cc1ccncc1 269956a_100000746989_100015193705 [0,1,0,0,0,1|2,0,0]=4 4611 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccc1 1458a_100000745601_200025704644 [0,1,0,0,0,1|2,0,0]=4 4612 B13R1.348 CN(CC(=O)[O-])Cc1ccccc1 269982a_100000186898_100020667443 [0,1,0,0,0,1|1,0,1]=4 4613 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [0,1,0,0,0,1|2,0,0]=4 4614 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100134613110 [0,1,0,0,0,1|2,0,0]=4 4615 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 527a_100000106764_100134613110 [0,1,0,0,0,1|2,0,0]=4 4616 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,1,0,0,0,1|1,0,0]=3 4617 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,1,0,0,0,1|2,0,0]=4 4618 B13R1.351 CC(=O)C(=O)COc1ccccc1 34a_100000210340_100011261029 [0,1,0,0,0,1|1,0,0]=3 4619 B13R1.351 CC(=O)C(=O)COc1cccnc1 34a_100000210849_100011261029 [0,1,0,0,0,1|2,0,0]=4 4620 B13R1.351 CC(=O)C(=O)COc1ccncc1 34a_100000212176_100011261029 [0,1,0,0,0,1|2,0,0]=4 4621 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100000719477_100011261029 [0,1,0,0,0,1|1,1,0]=4 4622 B13R1.351 CC(=O)C(=O)CSc1ccccc1 62a_100011261029_100000041952 [0,1,0,0,0,1|1,1,0]=4 4623 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,1,0,0,0,1|2,0,0]=4 4624 B13R1.351 CC(=O)C(C)NCc1ccccc1 2230a_100015324214_100009814033 [0,1,0,0,0,1|2,0,0]=4 4625 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [0,1,0,0,0,1|1,0,0]=3 4626 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [0,1,0,0,0,1|1,0,0]=3 4627 B13R1.351 CC(=O)C(C)OCc1ccccn1 34a_100000212229_100000721315 [0,1,0,0,0,1|2,0,0]=4 4628 B13R1.351 CC(=O)C(C)OCc1cccnc1 34a_100000212229_100000733263 [0,1,0,0,0,1|2,0,0]=4 4629 B13R1.351 CC(=O)C(C)SCc1ccccc1 1458a_100000149570_200000210301 [0,1,0,0,0,1|1,1,0]=4 4630 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100000211182_100009814033 [0,1,0,0,0,1|1,1,0]=4 4631 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100009814033_100015291786 [0,1,0,0,0,1|1,1,0]=4 4632 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [0,1,0,0,0,1|2,0,0]=4 4633 B13R1.351 CC(=O)N(C)CCc1ccccc1 11a_100000207497_100015343762 [0,1,0,0,0,1|2,0,0]=4 4634 B13R1.351 CC(=O)N(C)CCc1ccccc1 1626a_100000207497_100015343762 [0,1,0,0,0,1|2,0,0]=4 4635 B13R1.351 CC(=O)N(C)CCc1ccccc1 240690a_100000207497_100015343762 [0,1,0,0,0,1|2,0,0]=4 4636 B13R1.351 CC(=O)N(C)CCc1ccccc1 527a_100000207497_100103153847 [0,1,0,0,0,1|2,0,0]=4 4637 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [0,1,0,0,0,1|1,0,0]=3 4638 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,1,0,0,0,1|2,0,0]=4 4639 B13R1.351 CC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702099 [0,1,0,0,0,1|2,0,0]=4 4640 B13R1.351 CC(NCc1ccccc1)C(=O)N 34a_100015324214_100000702099 [0,1,0,0,0,1|2,0,0]=4 4641 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [0,1,0,0,0,1|1,0,0]=3 4642 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [0,1,0,0,0,1|1,0,0]=3 4643 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [0,1,0,0,0,1|1,1,0]=4 4644 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [0,1,0,0,0,1|1,1,0]=4 4645 B13R1.351 CC(SCc1ccccc1)C(=O)[13CH3] 1458a_100000149570_200025704644 [0,1,0,0,0,1|1,1,0]=4 4646 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 2230a_100000119354_100015291786 [0,1,0,0,0,1|2,0,0]=4 4647 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 270004a_100000119354_100015611070 [0,1,0,0,0,1|2,0,0]=4 4648 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 34a_100000119354_100015291786 [0,1,0,0,0,1|2,0,0]=4 4649 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [0,1,0,0,0,1|1,0,0]=3 4650 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [0,1,0,0,0,1|1,0,0]=3 4651 B13R1.351 C[C@@H](OCc1ccccn1)C(=O)N 34a_100000731257_100000721315 [0,1,0,0,0,1|2,0,0]=4 4652 B13R1.351 C[C@@H](OCc1ccccn1)C(=O)N 7a_100000731257_100000721315 [0,1,0,0,0,1|2,0,0]=4 4653 B13R1.351 C[C@@H](OCc1cccnc1)C(=O)N 34a_100000731257_100000733263 [0,1,0,0,0,1|2,0,0]=4 4654 B13R1.351 C[C@@H](OCc1cccnc1)C(=O)N 7a_100000731257_100000741622 [0,1,0,0,0,1|2,0,0]=4 4655 B13R1.351 C[C@@H](OCc1ccncc1)C(=O)N 7a_100000731257_100015193705 [0,1,0,0,0,1|2,0,0]=4 4656 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,1,0,0,0,1|1,0,0]=3 4657 B13R1.351 C[C@H](NCc1ccccn1)C(=O)O 269956a_100000743915_100000721315 [0,1,0,0,0,1|2,0,0]=4 4658 B13R1.351 C[C@H](NCc1cccnc1)C(=O)O 269956a_100000743915_100000733263 [0,1,0,0,0,1|2,0,0]=4 4659 B13R1.351 C[C@H](NCc1ccncc1)C(=O)O 269956a_100000743915_100015193705 [0,1,0,0,0,1|2,0,0]=4 4660 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [0,1,0,0,0,1|1,0,0]=3 4661 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211182 [0,1,0,0,0,1|0,0,1]=3 4662 B13R1.351 C[C@H](OCc1ccccn1)C(=O)[O-] 7a_217856618621_100000721315 [0,1,0,0,0,1|1,0,1]=4 4663 B13R1.351 C[C@H](OCc1cccnc1)C(=O)[O-] 7a_217856618621_100000741622 [0,1,0,0,0,1|1,0,1]=4 4664 B13R1.351 C[C@H](OCc1ccncc1)C(=O)[O-] 7a_217856618621_100015193705 [0,1,0,0,0,1|1,0,1]=4 4665 B13R1.351 NC(=O)C(F)NCc1ccccc1 2230a_100015324214_100009813875 [0,1,0,0,0,1|2,0,0]=4 4666 B13R1.351 NC(=O)C(F)NCc1ccccc1 34a_100015324214_100009813875 [0,1,0,0,0,1|2,0,0]=4 4667 B13R1.351 NC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813875 [0,1,0,0,0,1|1,0,0]=3 4668 B13R1.351 NC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813875 [0,1,0,0,0,1|1,0,0]=3 4669 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813875 [0,1,0,0,0,1|1,1,0]=4 4670 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100009813875_100015291786 [0,1,0,0,0,1|1,1,0]=4 4671 B13R1.351 O=C([O-])C(F)NCc1ccccc1 34a_100015324214_100020610796 [0,1,0,0,0,1|1,0,1]=4 4672 B13R1.351 O=C([O-])C(F)OCc1ccccc1 34a_100000210790_100020610796 [0,1,0,0,0,1|0,0,1]=3 4673 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100000211182_100020610796 [0,1,0,0,0,1|0,1,1]=4 4674 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100020610796_100015291786 [0,1,0,0,0,1|0,1,1]=4 4675 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [0,1,0,0,0,1|2,0,0]=4 4676 B13R1.513 C=C(C)CCOc1ccc(cc1)Br 34a_100000185759_100000730704 [0,1,0,0,0,1|2,0,0]=4 4677 B13R1.513 C=C(C)CCOc1ccc(cc1)Br 7a_100000185759_100000730704 [0,1,0,0,0,1|2,0,0]=4 4678 B13R1.513 C=C(C)CCOc1ccc(cc1)C 34a_100000210336_100000730704 [0,1,0,0,0,1|2,0,0]=4 4679 B13R1.513 C=C(C)CCOc1ccc(cc1)C 7a_100000210336_100000730704 [0,1,0,0,0,1|2,0,0]=4 4680 B13R1.513 C=C(C)CCOc1ccc(cc1)Cl 34a_100000210216_100000730704 [0,1,0,0,0,1|2,0,0]=4 4681 B13R1.513 C=C(C)CCOc1ccc(cc1)Cl 7a_100000210216_100000730704 [0,1,0,0,0,1|2,0,0]=4 4682 B13R1.513 C=C(C)CCOc1ccc(cc1)F 34a_100000210339_100000730704 [0,1,0,0,0,1|2,0,0]=4 4683 B13R1.513 C=C(C)CCOc1ccc(cc1)I 34a_100000212066_100000730704 [0,1,0,0,0,1|2,0,0]=4 4684 B13R1.513 C=C(C)CCOc1ccc(cc1)I 7a_100000212066_100000730704 [0,1,0,0,0,1|2,0,0]=4 4685 B13R1.513 C=C(C)CCOc1ccc(cc1)N 34a_100000185829_100000730704 [0,1,0,0,0,1|2,0,0]=4 4686 B13R1.513 C=C(C)COCc1ccc(cc1)Br 34a_100000210245_100000189115 [0,1,0,0,0,1|2,0,0]=4 4687 B13R1.513 C=C(C)COCc1ccc(cc1)Br 34a_100000695286_100000748629 [0,1,0,0,0,1|2,0,0]=4 4688 B13R1.513 C=C(C)COCc1ccc(cc1)C 34a_100000210245_100000210814 [0,1,0,0,0,1|2,0,0]=4 4689 B13R1.513 C=C(C)COCc1ccc(cc1)C 34a_100011215236_100000748629 [0,1,0,0,0,1|2,0,0]=4 4690 B13R1.513 C=C(C)COCc1ccc(cc1)C 7a_100011215236_100000748629 [0,1,0,0,0,1|2,0,0]=4 4691 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 34a_100000210245_100000694040 [0,1,0,0,0,1|2,0,0]=4 4692 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 34a_100000211118_100000748629 [0,1,0,0,0,1|2,0,0]=4 4693 B13R1.513 C=C(C)COCc1ccc(cc1)Cl 7a_100000211118_100000748629 [0,1,0,0,0,1|2,0,0]=4 4694 B13R1.513 C=C(C)COCc1ccc(cc1)F 34a_100000210245_100000198546 [0,1,0,0,0,1|2,0,0]=4 4695 B13R1.513 C=C(C)COCc1ccc(cc1)F 34a_100000210977_100000748629 [0,1,0,0,0,1|2,0,0]=4 4696 B13R1.513 C=C(C)COCc1ccc(cc1)F 7a_100000210977_100000748629 [0,1,0,0,0,1|2,0,0]=4 4697 B13R1.513 C=C(C)COCc1ccc(cc1)I 34a_100000210245_100000189116 [0,1,0,0,0,1|2,0,0]=4 4698 B13R1.513 C=C(C)COCc1ccc(cc1)I 34a_100000690907_100000748629 [0,1,0,0,0,1|2,0,0]=4 4699 B13R1.513 C=C(C)COCc1ccc(cc1)I 7a_100000690907_100000748629 [0,1,0,0,0,1|2,0,0]=4 4700 B13R1.513 C=C(C)COCc1ccc(cc1)N 34a_100011215238_100000748629 [0,1,0,0,0,1|2,0,0]=4 4701 B13R1.513 C=C(F)COCc1ccc(cc1)Br 34a_100000695286_100009893438 [0,1,0,0,0,1|2,0,0]=4 4702 B13R1.513 C=C(F)COCc1ccc(cc1)Br 34a_200010262243_100000189115 [0,1,0,0,0,1|2,0,0]=4 4703 B13R1.513 C=C(F)COCc1ccc(cc1)C 34a_100011215236_100009893438 [0,1,0,0,0,1|2,0,0]=4 4704 B13R1.513 C=C(F)COCc1ccc(cc1)C 34a_200010262243_100000210814 [0,1,0,0,0,1|2,0,0]=4 4705 B13R1.513 C=C(F)COCc1ccc(cc1)C 7a_100011215236_100000042424 [0,1,0,0,0,1|2,0,0]=4 4706 B13R1.513 C=C(F)COCc1ccc(cc1)Cl 34a_100000211118_100009893438 [0,1,0,0,0,1|2,0,0]=4 4707 B13R1.513 C=C(F)COCc1ccc(cc1)Cl 34a_200010262243_100000694040 [0,1,0,0,0,1|2,0,0]=4 4708 B13R1.513 C=C(F)COCc1ccc(cc1)Cl 7a_100000211118_100000042424 [0,1,0,0,0,1|2,0,0]=4 4709 B13R1.513 C=C(F)COCc1ccc(cc1)F 34a_100000210977_100009893438 [0,1,0,0,0,1|2,0,0]=4 4710 B13R1.513 C=C(F)COCc1ccc(cc1)F 34a_200010262243_100000198546 [0,1,0,0,0,1|2,0,0]=4 4711 B13R1.513 C=C(F)COCc1ccc(cc1)F 7a_100000210977_100000042424 [0,1,0,0,0,1|2,0,0]=4 4712 B13R1.513 C=C(F)COCc1ccc(cc1)I 34a_100000690907_100009893438 [0,1,0,0,0,1|2,0,0]=4 4713 B13R1.513 C=C(F)COCc1ccc(cc1)I 34a_200010262243_100000189116 [0,1,0,0,0,1|2,0,0]=4 4714 B13R1.513 C=C(F)COCc1ccc(cc1)I 7a_100000690907_100000042424 [0,1,0,0,0,1|2,0,0]=4 4715 B13R1.513 C=C(F)COCc1ccc(cc1)N 34a_100011215238_100009893438 [0,1,0,0,0,1|2,0,0]=4 4716 B13R1.513 CC(=CCOc1ccc(cc1)Br)C 34a_100000185759_100000761012 [0,1,0,0,0,1|2,0,0]=4 4717 B13R1.513 CC(=CCOc1ccc(cc1)Br)C 7a_100000185759_100000761012 [0,1,0,0,0,1|2,0,0]=4 4718 B13R1.513 CC(=CCOc1ccc(cc1)C)C 34a_100000210336_100000761012 [0,1,0,0,0,1|2,0,0]=4 4719 B13R1.513 CC(=CCOc1ccc(cc1)C)C 7a_100000210336_100000761012 [0,1,0,0,0,1|2,0,0]=4 4720 B13R1.513 CC(=CCOc1ccc(cc1)Cl)C 34a_100000210216_100000761012 [0,1,0,0,0,1|2,0,0]=4 4721 B13R1.513 CC(=CCOc1ccc(cc1)Cl)C 7a_100000210216_100000761012 [0,1,0,0,0,1|2,0,0]=4 4722 B13R1.513 CC(=CCOc1ccc(cc1)F)C 34a_100000210339_100000761012 [0,1,0,0,0,1|2,0,0]=4 4723 B13R1.513 CC(=CCOc1ccc(cc1)I)C 34a_100000212066_100000761012 [0,1,0,0,0,1|2,0,0]=4 4724 B13R1.513 CC(=CCOc1ccc(cc1)I)C 7a_100000212066_100000761012 [0,1,0,0,0,1|2,0,0]=4 4725 B13R1.513 CC(=CCOc1ccc(cc1)N)C 34a_100000185829_100000761012 [0,1,0,0,0,1|2,0,0]=4 4726 B13R1.513 CC(=O)CC#Cc1ccc(cc1)Br 1458a_100000070787_100010706785 [0,1,0,0,0,1|2,0,0]=4 4727 B13R1.513 CC(=O)CC#Cc1ccc(cc1)F 1458a_100000070787_100010402171 [0,1,0,0,0,1|2,0,0]=4 4728 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100000070787_100011713682 [0,1,0,0,0,1|2,0,0]=4 4729 B13R1.513 CC(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200000210301 [0,1,0,0,0,1|2,0,0]=4 4730 B13R1.513 CC(=O)CCCc1ccc(cc1)C 1458a_100000741418_200000210301 [0,1,0,0,0,1|2,0,0]=4 4731 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000070787_100000759440 [0,1,0,0,0,1|2,0,0]=4 4732 B13R1.513 CC(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200000210301 [0,1,0,0,0,1|2,0,0]=4 4733 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100000070787_200011713563 [0,1,0,0,0,1|2,0,0]=4 4734 B13R1.513 CC(=O)CCCc1ccc(cc1)F 1458a_100011219804_200000210301 [0,1,0,0,0,1|2,0,0]=4 4735 B13R1.513 CC(=O)CCCc1ccc(cc1)I 1458a_100011236544_200000210301 [0,1,0,0,0,1|2,0,0]=4 4736 B13R1.513 CC(=O)CCCc1ccc(cc1)O 1458a_100000116853_200000210301 [0,1,0,0,0,1|2,0,0]=4 4737 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000070787_100000183278 [0,1,0,0,0,1|1,0,0]=3 4738 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200000210301 [0,1,0,0,0,1|1,0,0]=3 4739 B13R1.513 CC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000053229 [0,1,0,0,0,1|1,0,0]=3 4740 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000070787_100000183172 [0,1,0,0,0,1|1,0,0]=3 4741 B13R1.513 CC(=O)CCOc1ccc(cc1)C 1458a_100000182323_200000210301 [0,1,0,0,0,1|1,0,0]=3 4742 B13R1.513 CC(=O)CCOc1ccc(cc1)C 7a_100000210336_100000053229 [0,1,0,0,0,1|1,0,0]=3 4743 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000070787_100000184122 [0,1,0,0,0,1|1,0,0]=3 4744 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200000210301 [0,1,0,0,0,1|1,0,0]=3 4745 B13R1.513 CC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000053229 [0,1,0,0,0,1|1,0,0]=3 4746 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000070787_100000184936 [0,1,0,0,0,1|1,0,0]=3 4747 B13R1.513 CC(=O)CCOc1ccc(cc1)F 1458a_100000737396_200000210301 [0,1,0,0,0,1|1,0,0]=3 4748 B13R1.513 CC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000053229 [0,1,0,0,0,1|1,0,0]=3 4749 B13R1.513 CC(=O)CCOc1ccc(nc1)Br 7a_100000685995_100000053229 [0,1,0,0,0,1|2,0,0]=4 4750 B13R1.513 CC(=O)CCOc1ccc(nc1)C 7a_100000745506_100000053229 [0,1,0,0,0,1|2,0,0]=4 4751 B13R1.513 CC(=O)CCOc1ccc(nc1)Cl 7a_100000744096_100000053229 [0,1,0,0,0,1|2,0,0]=4 4752 B13R1.513 CC(=O)CCOc1ccc(nc1)F 7a_100000688820_100000053229 [0,1,0,0,0,1|2,0,0]=4 4753 B13R1.513 CC(=O)CCOc1ccc(nc1)I 7a_100000687607_100000053229 [0,1,0,0,0,1|2,0,0]=4 4754 B13R1.513 CC(=O)CCOc1ccc(nc1)N 7a_100015188713_100000053229 [0,1,0,0,0,1|2,0,0]=4 4755 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 1458a_100000208627_200000210301 [0,1,0,0,0,1|1,1,0]=4 4756 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 62a_100000053229_100000752885 [0,1,0,0,0,1|1,1,0]=4 4757 B13R1.513 CC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000053229 [0,1,0,0,0,1|1,1,0]=4 4758 B13R1.513 CC(=O)CCSc1ccc(cc1)C 1458a_100000182377_200000210301 [0,1,0,0,0,1|1,1,0]=4 4759 B13R1.513 CC(=O)CCSc1ccc(cc1)C 62a_100000053229_100000186775 [0,1,0,0,0,1|1,1,0]=4 4760 B13R1.513 CC(=O)CCSc1ccc(cc1)C 62a_100000186775_100000053229 [0,1,0,0,0,1|1,1,0]=4 4761 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_200000210301 [0,1,0,0,0,1|1,1,0]=4 4762 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 62a_100000053229_100000755918 [0,1,0,0,0,1|1,1,0]=4 4763 B13R1.513 CC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000053229 [0,1,0,0,0,1|1,1,0]=4 4764 B13R1.513 CC(=O)CCSc1ccc(cc1)F 1458a_100000199091_200000210301 [0,1,0,0,0,1|1,1,0]=4 4765 B13R1.513 CC(=O)CCSc1ccc(cc1)F 62a_100000053229_100000211213 [0,1,0,0,0,1|1,1,0]=4 4766 B13R1.513 CC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000053229 [0,1,0,0,0,1|1,1,0]=4 4767 B13R1.513 CC(=O)CCSc1ccc(cc1)N 62a_100000053229_100000185761 [0,1,0,0,0,1|1,1,0]=4 4768 B13R1.513 CC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000053229 [0,1,0,0,0,1|1,1,0]=4 4769 B13R1.513 CC(=O)CCSc1ccc(cc1)O 62a_100000053229_100000185759 [0,1,0,0,0,1|1,1,0]=4 4770 B13R1.513 CC(=O)COCc1ccc(cc1)Br 1458a_200012349173_200000210301 [0,1,0,0,0,1|1,0,0]=3 4771 B13R1.513 CC(=O)COCc1ccc(cc1)Br 34a_100000211253_100000189115 [0,1,0,0,0,1|1,0,0]=3 4772 B13R1.513 CC(=O)COCc1ccc(cc1)C 34a_100000211253_100000210814 [0,1,0,0,0,1|1,0,0]=3 4773 B13R1.513 CC(=O)COCc1ccc(cc1)Cl 34a_100000211253_100000694040 [0,1,0,0,0,1|1,0,0]=3 4774 B13R1.513 CC(=O)COCc1ccc(cc1)F 34a_100000211253_100000198546 [0,1,0,0,0,1|1,0,0]=3 4775 B13R1.513 CC(=O)COCc1ccc(cc1)I 34a_100000211253_100000189116 [0,1,0,0,0,1|1,0,0]=3 4776 B13R1.513 CC(=O)COCc1ccc(cn1)Br 34a_100000211253_100000702658 [0,1,0,0,0,1|2,0,0]=4 4777 B13R1.513 CC(=O)COCc1ccc(cn1)C 34a_100000211253_100000691093 [0,1,0,0,0,1|2,0,0]=4 4778 B13R1.513 CC(=O)COCc1ccc(cn1)Cl 34a_100000211253_100012066911 [0,1,0,0,0,1|2,0,0]=4 4779 B13R1.513 CC(=O)COCc1ccc(cn1)F 34a_100000211253_100000703193 [0,1,0,0,0,1|2,0,0]=4 4780 B13R1.513 CC(=O)COCc1ccc(nc1)Br 34a_100000211253_100009831999 [0,1,0,0,0,1|2,0,0]=4 4781 B13R1.513 CC(=O)COCc1ccc(nc1)C 34a_100000211253_100016987292 [0,1,0,0,0,1|2,0,0]=4 4782 B13R1.513 CC(=O)COCc1ccc(nc1)Cl 34a_100000211253_100000735431 [0,1,0,0,0,1|2,0,0]=4 4783 B13R1.513 CC(=O)COCc1ccc(nc1)F 34a_100000211253_100000099788 [0,1,0,0,0,1|2,0,0]=4 4784 B13R1.513 CC(=O)CSCc1ccc(cc1)Br 1458a_100000150267_200000210301 [0,1,0,0,0,1|1,1,0]=4 4785 B13R1.513 CC(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_200000210301 [0,1,0,0,0,1|1,1,0]=4 4786 B13R1.513 CC(=O)CSCc1ccc(cc1)F 1458a_100000150272_200000210301 [0,1,0,0,0,1|1,1,0]=4 4787 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 11a_100000755846_100015343762 [0,1,0,0,0,1|2,0,0]=4 4788 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 1626a_100000755846_100015343762 [0,1,0,0,0,1|2,0,0]=4 4789 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 240690a_100000755846_100015343762 [0,1,0,0,0,1|2,0,0]=4 4790 B13R1.513 CC(=O)NCCc1ccc(cc1)Br 527a_100000755846_100103153847 [0,1,0,0,0,1|2,0,0]=4 4791 B13R1.513 CC(=O)NCCc1ccc(cc1)C 11a_100000705350_100015343762 [0,1,0,0,0,1|2,0,0]=4 4792 B13R1.513 CC(=O)NCCc1ccc(cc1)C 1626a_100000705350_100015343762 [0,1,0,0,0,1|2,0,0]=4 4793 B13R1.513 CC(=O)NCCc1ccc(cc1)C 240690a_100000705350_100015343762 [0,1,0,0,0,1|2,0,0]=4 4794 B13R1.513 CC(=O)NCCc1ccc(cc1)C 527a_100000705350_100103153847 [0,1,0,0,0,1|2,0,0]=4 4795 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 11a_100000185265_100015343762 [0,1,0,0,0,1|2,0,0]=4 4796 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 1626a_100000185265_100015343762 [0,1,0,0,0,1|2,0,0]=4 4797 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 240690a_100000185265_100015343762 [0,1,0,0,0,1|2,0,0]=4 4798 B13R1.513 CC(=O)NCCc1ccc(cc1)Cl 527a_100000185265_100103153847 [0,1,0,0,0,1|2,0,0]=4 4799 B13R1.513 CC(=O)NCCc1ccc(cc1)F 11a_100000199005_100015343762 [0,1,0,0,0,1|2,0,0]=4 4800 B13R1.513 CC(=O)NCCc1ccc(cc1)F 1626a_100000199005_100015343762 [0,1,0,0,0,1|2,0,0]=4 4801 B13R1.513 CC(=O)NCCc1ccc(cc1)F 240690a_100000199005_100015343762 [0,1,0,0,0,1|2,0,0]=4 4802 B13R1.513 CC(=O)NCCc1ccc(cc1)F 527a_100000199005_100103153847 [0,1,0,0,0,1|2,0,0]=4 4803 B13R1.513 CC(=O)NCCc1ccc(cc1)O 240690a_100000743037_100015343762 [0,1,0,0,0,1|2,0,0]=4 4804 B13R1.513 CC(=O)NCCc1ccc(cc1)O 527a_100000743037_100103153847 [0,1,0,0,0,1|2,0,0]=4 4805 B13R1.513 CC(=O)OCCc1ccc(cc1)O 271570a_203496583355_200016374084 [0,1,0,0,0,1|2,0,0]=4 4806 B13R1.513 CC(=O)OCNc1ccc(cc1)Br 34a_100000210018_100009813279 [0,1,0,0,0,1|2,0,0]=4 4807 B13R1.513 CC(=O)OCNc1ccc(cc1)C 34a_100000124888_100009813279 [0,1,0,0,0,1|2,0,0]=4 4808 B13R1.513 CC(=O)OCNc1ccc(cc1)Cl 34a_100000210052_100009813279 [0,1,0,0,0,1|2,0,0]=4 4809 B13R1.513 CC(=O)OCNc1ccc(cc1)F 34a_100000185862_100009813279 [0,1,0,0,0,1|2,0,0]=4 4810 B13R1.513 CC(=O)OCNc1ccc(cc1)I 34a_100000185761_100009813279 [0,1,0,0,0,1|2,0,0]=4 4811 B13R1.513 CC(=O)OCNc1ccc(cc1)O 34a_100000185829_100009813279 [0,1,0,0,0,1|2,0,0]=4 4812 B13R1.513 CC(=O)OCOc1ccc(=O)[nH]c1 34a_100000075641_100009813279 [0,1,0,0,0,1|2,0,0]=4 4813 B13R1.513 CC(=O)OCOc1ccc(cc1)Br 34a_100000185759_100009813279 [0,1,0,0,0,1|1,0,0]=3 4814 B13R1.513 CC(=O)OCOc1ccc(cc1)C 34a_100000210336_100009813279 [0,1,0,0,0,1|1,0,0]=3 4815 B13R1.513 CC(=O)OCOc1ccc(cc1)Cl 34a_100000210216_100009813279 [0,1,0,0,0,1|1,0,0]=3 4816 B13R1.513 CC(=O)OCOc1ccc(cc1)F 34a_100000210339_100009813279 [0,1,0,0,0,1|1,0,0]=3 4817 B13R1.513 CC(=O)OCOc1ccc(cc1)I 34a_100000212066_100009813279 [0,1,0,0,0,1|1,0,0]=3 4818 B13R1.513 CC(=O)OCOc1ccc(cc1)N 34a_100000185829_100009813279 [0,1,0,0,0,1|1,0,0]=3 4819 B13R1.513 CC(=O)OCOc1ccc(cn1)C 34a_100000759353_100009813279 [0,1,0,0,0,1|2,0,0]=4 4820 B13R1.513 CC(=O)OCOc1ccc(cn1)Cl 34a_100011215309_100009813279 [0,1,0,0,0,1|2,0,0]=4 4821 B13R1.513 CC(=O)OCOc1ccc(cn1)F 34a_100000742473_100009813279 [0,1,0,0,0,1|2,0,0]=4 4822 B13R1.513 CC(=O)OCOc1ccc(cn1)N 34a_100000729260_100009813279 [0,1,0,0,0,1|2,0,0]=4 4823 B13R1.513 CC(=O)OCOc1ccc(nc1)Br 34a_100000685995_100009813279 [0,1,0,0,0,1|2,0,0]=4 4824 B13R1.513 CC(=O)OCOc1ccc(nc1)C 34a_100000745506_100009813279 [0,1,0,0,0,1|2,0,0]=4 4825 B13R1.513 CC(=O)OCOc1ccc(nc1)Cl 34a_100000744096_100009813279 [0,1,0,0,0,1|2,0,0]=4 4826 B13R1.513 CC(=O)OCOc1ccc(nc1)F 34a_100000688820_100009813279 [0,1,0,0,0,1|2,0,0]=4 4827 B13R1.513 CC(=O)OCOc1ccc(nc1)I 34a_100000687607_100009813279 [0,1,0,0,0,1|2,0,0]=4 4828 B13R1.513 CC(=O)OCOc1ccc(nc1)N 34a_100015188713_100009813279 [0,1,0,0,0,1|2,0,0]=4 4829 B13R1.513 CC(=O)OCSc1ccc(cc1)Br 62a_100000076356_100000752885 [0,1,0,0,0,1|1,1,0]=4 4830 B13R1.513 CC(=O)OCSc1ccc(cc1)Br 62a_100000752885_100000076356 [0,1,0,0,0,1|1,1,0]=4 4831 B13R1.513 CC(=O)OCSc1ccc(cc1)C 62a_100000076356_100000186775 [0,1,0,0,0,1|1,1,0]=4 4832 B13R1.513 CC(=O)OCSc1ccc(cc1)C 62a_100000186775_100000076356 [0,1,0,0,0,1|1,1,0]=4 4833 B13R1.513 CC(=O)OCSc1ccc(cc1)Cl 62a_100000076356_100000755918 [0,1,0,0,0,1|1,1,0]=4 4834 B13R1.513 CC(=O)OCSc1ccc(cc1)Cl 62a_100000755918_100000076356 [0,1,0,0,0,1|1,1,0]=4 4835 B13R1.513 CC(=O)OCSc1ccc(cc1)F 62a_100000076356_100000211213 [0,1,0,0,0,1|1,1,0]=4 4836 B13R1.513 CC(=O)OCSc1ccc(cc1)F 62a_100000211213_100000076356 [0,1,0,0,0,1|1,1,0]=4 4837 B13R1.513 CC(=O)OCSc1ccc(cc1)N 62a_100000076356_100000185761 [0,1,0,0,0,1|1,1,0]=4 4838 B13R1.513 CC(=O)OCSc1ccc(cc1)N 62a_100000185761_100000076356 [0,1,0,0,0,1|1,1,0]=4 4839 B13R1.513 CC(=O)OCSc1ccc(cc1)O 62a_100000076356_100000185759 [0,1,0,0,0,1|1,1,0]=4 4840 B13R1.513 CC(O)CCOc1ccc(cc1)Br 34a_100000185759_100012276601 [0,1,0,0,0,1|1,0,1]=4 4841 B13R1.513 CC(O)CCOc1ccc(cc1)Br 7a_100000185759_100012276601 [0,1,0,0,0,1|1,0,1]=4 4842 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 34a_100000210216_100012276601 [0,1,0,0,0,1|1,0,1]=4 4843 B13R1.513 CC(O)CCOc1ccc(cc1)Cl 7a_100000210216_100012276601 [0,1,0,0,0,1|1,0,1]=4 4844 B13R1.513 CC(O)CCOc1ccc(cc1)F 34a_100000210339_100012276601 [0,1,0,0,0,1|1,0,1]=4 4845 B13R1.513 CC(O)CCOc1ccc(cc1)I 34a_100000212066_100012276601 [0,1,0,0,0,1|1,0,1]=4 4846 B13R1.513 CC(O)CCOc1ccc(cc1)I 7a_100000212066_100012276601 [0,1,0,0,0,1|1,0,1]=4 4847 B13R1.513 CC(O)CCOc1ccc(cc1)N 34a_100000185829_100012276601 [0,1,0,0,0,1|1,0,1]=4 4848 B13R1.513 CC(O)COCc1ccc(cc1)Br 34a_100000695286_100011218427 [0,1,0,0,0,1|1,0,1]=4 4849 B13R1.513 CC(O)COCc1ccc(cc1)Cl 34a_100000211118_100011218427 [0,1,0,0,0,1|1,0,1]=4 4850 B13R1.513 CC(O)COCc1ccc(cc1)Cl 7a_100000211118_100011218427 [0,1,0,0,0,1|1,0,1]=4 4851 B13R1.513 CC(O)COCc1ccc(cc1)F 34a_100000210977_100011218427 [0,1,0,0,0,1|1,0,1]=4 4852 B13R1.513 CC(O)COCc1ccc(cc1)F 7a_100000210977_100011218427 [0,1,0,0,0,1|1,0,1]=4 4853 B13R1.513 CC(O)COCc1ccc(cc1)I 34a_100000690907_100011218427 [0,1,0,0,0,1|1,0,1]=4 4854 B13R1.513 CC(O)COCc1ccc(cc1)I 7a_100000690907_100011218427 [0,1,0,0,0,1|1,0,1]=4 4855 B13R1.513 CC(O)COCc1ccc(cc1)N 34a_100011215238_100011218427 [0,1,0,0,0,1|1,0,1]=4 4856 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Br 34a_100000695286_100009817552 [0,1,0,0,0,1|1,0,1]=4 4857 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 34a_100000211118_100009817552 [0,1,0,0,0,1|1,0,1]=4 4858 B13R1.513 C[C@@H](O)COCc1ccc(cc1)Cl 7a_100000211118_100009817552 [0,1,0,0,0,1|1,0,1]=4 4859 B13R1.513 C[C@@H](O)COCc1ccc(cc1)F 34a_100000210977_100009817552 [0,1,0,0,0,1|1,0,1]=4 4860 B13R1.513 C[C@@H](O)COCc1ccc(cc1)F 7a_100000210977_100009817552 [0,1,0,0,0,1|1,0,1]=4 4861 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 34a_100000690907_100009817552 [0,1,0,0,0,1|1,0,1]=4 4862 B13R1.513 C[C@@H](O)COCc1ccc(cc1)I 7a_100000690907_100009817552 [0,1,0,0,0,1|1,0,1]=4 4863 B13R1.513 C[C@@H](O)COCc1ccc(cc1)N 34a_100011215238_100009817552 [0,1,0,0,0,1|1,0,1]=4 4864 B13R1.513 C[n+]1ccc(cc1)COCC(=O)N 34a_100009831711_100000187820 [0,1,0,0,0,1|2,0,0]=4 4865 B13R1.513 C[n+]1ccc(cc1)COCC(=O)[O-] 34a_100009831711_100020667443 [0,1,0,0,0,1|1,0,1]=4 4866 B13R1.513 Cc1ccc(cc1)CCCC(=O)[13CH3] 1458a_100000741418_200025704644 [0,1,0,0,0,1|2,0,0]=4 4867 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 2230a_100000174908_100000747473 [0,1,0,0,0,1|2,0,0]=4 4868 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 2230a_100000711301_100000210814 [0,1,0,0,0,1|2,0,0]=4 4869 B13R1.513 Cc1ccc(cc1)CNCC(=O)N 34a_100000174908_100000187820 [0,1,0,0,0,1|2,0,0]=4 4870 B13R1.513 Cc1ccc(cc1)CNCC(=O)O 269956a_100016091260_100000210814 [0,1,0,0,0,1|1,0,0]=3 4871 B13R1.513 Cc1ccc(cc1)CNCC(=O)[O-] 34a_100000174908_100020667443 [0,1,0,0,0,1|1,0,1]=4 4872 B13R1.513 Cc1ccc(cc1)COCC(=O)N 34a_100011215236_100000187820 [0,1,0,0,0,1|1,0,0]=3 4873 B13R1.513 Cc1ccc(cc1)COCC(=O)N 7a_100011215236_100000187820 [0,1,0,0,0,1|1,0,0]=3 4874 B13R1.513 Cc1ccc(cc1)COCC(=O)[O-] 34a_100011215236_100020667443 [0,1,0,0,0,1|0,0,1]=3 4875 B13R1.513 Cc1ccc(cc1)COCC(C)O 34a_100011215236_100011218427 [0,1,0,0,0,1|1,0,1]=4 4876 B13R1.513 Cc1ccc(cc1)COCC(C)O 7a_100011215236_100011218427 [0,1,0,0,0,1|1,0,1]=4 4877 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)O 34a_100011215236_100009817552 [0,1,0,0,0,1|1,0,1]=4 4878 B13R1.513 Cc1ccc(cc1)COC[C@@H](C)O 7a_100011215236_100009817552 [0,1,0,0,0,1|1,0,1]=4 4879 B13R1.513 Cc1ccc(cc1)COC[N+](=O)[O-] 34a_100011215236_100000761209 [0,1,0,0,0,1|1,0,1]=4 4880 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000210814_100000747473 [0,1,0,0,0,1|1,1,0]=4 4881 B13R1.513 Cc1ccc(cc1)CSCC(=O)N 62a_100000747473_100000210814 [0,1,0,0,0,1|1,1,0]=4 4882 B13R1.513 Cc1ccc(cc1)CSCC(=O)[O-] 62a_100000210814_100020667443 [0,1,0,0,0,1|0,1,1]=4 4883 B13R1.513 Cc1ccc(cc1)CSCC(=O)[O-] 62a_100020667443_100000210814 [0,1,0,0,0,1|0,1,1]=4 4884 B13R1.513 Cc1ccc(cc1)NCCC(=O)N 34a_100000124888_100000731001 [0,1,0,0,0,1|2,0,0]=4 4885 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 34a_100000210336_100000731001 [0,1,0,0,0,1|1,0,0]=3 4886 B13R1.513 Cc1ccc(cc1)OCCC(=O)N 7a_100000210336_100000744528 [0,1,0,0,0,1|1,0,0]=3 4887 B13R1.513 Cc1ccc(cc1)OCCC(=O)[13CH3] 1458a_100000182323_200025704644 [0,1,0,0,0,1|1,0,0]=3 4888 B13R1.513 Cc1ccc(cc1)OCCC(C)O 34a_100000210336_100012276601 [0,1,0,0,0,1|1,0,1]=4 4889 B13R1.513 Cc1ccc(cc1)OCCC(C)O 7a_100000210336_100012276601 [0,1,0,0,0,1|1,0,1]=4 4890 B13R1.513 Cc1ccc(cc1)SCCC(=O)N 62a_100000186775_100000744528 [0,1,0,0,0,1|1,1,0]=4 4891 B13R1.513 Cc1ccc(cc1)SCCC(=O)N 62a_100000744528_100000186775 [0,1,0,0,0,1|1,1,0]=4 4892 B13R1.513 Cc1ccc(cc1)SCCC(=O)[13CH3] 1458a_100000182377_200025704644 [0,1,0,0,0,1|1,1,0]=4 4893 B13R1.513 Cc1ccc(cn1)CNCC(=O)O 269956a_100016091260_100016987292 [0,1,0,0,0,1|2,0,0]=4 4894 B13R1.513 Cc1ccc(cn1)COCC(=O)N 34a_100011248133_100000187820 [0,1,0,0,0,1|2,0,0]=4 4895 B13R1.513 Cc1ccc(cn1)COCC(=O)[O-] 34a_100011248133_100020667443 [0,1,0,0,0,1|1,0,1]=4 4896 B13R1.513 Cc1ccc(cn1)OCCC(=O)N 34a_100000745506_100000731001 [0,1,0,0,0,1|2,0,0]=4 4897 B13R1.513 Cc1ccc(cn1)OCCC(=O)N 7a_100000745506_100000744528 [0,1,0,0,0,1|2,0,0]=4 4898 B13R1.513 Cc1ccc(nc1)CNCC(=O)O 269956a_100016091260_100000691093 [0,1,0,0,0,1|2,0,0]=4 4899 B13R1.513 Cc1ccc(nc1)COCC(=O)N 34a_100012001401_100000187820 [0,1,0,0,0,1|2,0,0]=4 4900 B13R1.513 Cc1ccc(nc1)COCC(=O)[O-] 34a_100012001401_100020667443 [0,1,0,0,0,1|1,0,1]=4 4901 B13R1.513 Cc1ccc(nc1)OCCC(=O)N 34a_100000759353_100000731001 [0,1,0,0,0,1|2,0,0]=4 4902 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 2230a_100000210018_100000744528 [0,1,0,0,0,1|2,0,0]=4 4903 B13R1.513 NC(=O)CCNc1ccc(cc1)Br 34a_100000210018_100000731001 [0,1,0,0,0,1|2,0,0]=4 4904 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 2230a_100000210052_100000744528 [0,1,0,0,0,1|2,0,0]=4 4905 B13R1.513 NC(=O)CCNc1ccc(cc1)Cl 34a_100000210052_100000731001 [0,1,0,0,0,1|2,0,0]=4 4906 B13R1.513 NC(=O)CCNc1ccc(cc1)F 34a_100000185862_100000731001 [0,1,0,0,0,1|2,0,0]=4 4907 B13R1.513 NC(=O)CCNc1ccc(cc1)I 34a_100000185761_100000731001 [0,1,0,0,0,1|2,0,0]=4 4908 B13R1.513 NC(=O)CCNc1ccc(cc1)O 34a_100000185829_100000731001 [0,1,0,0,0,1|2,0,0]=4 4909 B13R1.513 NC(=O)CCOc1ccc(=O)[nH]c1 34a_100000075641_100000731001 [0,1,0,0,0,1|2,0,0]=4 4910 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 34a_100000185759_100000731001 [0,1,0,0,0,1|1,0,0]=3 4911 B13R1.513 NC(=O)CCOc1ccc(cc1)Br 7a_100000185759_100000744528 [0,1,0,0,0,1|1,0,0]=3 4912 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 34a_100000210216_100000731001 [0,1,0,0,0,1|1,0,0]=3 4913 B13R1.513 NC(=O)CCOc1ccc(cc1)Cl 7a_100000210216_100000744528 [0,1,0,0,0,1|1,0,0]=3 4914 B13R1.513 NC(=O)CCOc1ccc(cc1)F 34a_100000210339_100000731001 [0,1,0,0,0,1|1,0,0]=3 4915 B13R1.513 NC(=O)CCOc1ccc(cc1)I 34a_100000212066_100000731001 [0,1,0,0,0,1|1,0,0]=3 4916 B13R1.513 NC(=O)CCOc1ccc(cc1)I 7a_100000212066_100000744528 [0,1,0,0,0,1|1,0,0]=3 4917 B13R1.513 NC(=O)CCOc1ccc(cc1)N 34a_100000185829_100000731001 [0,1,0,0,0,1|1,0,0]=3 4918 B13R1.513 NC(=O)CCOc1ccc(cn1)Cl 34a_100011215309_100000731001 [0,1,0,0,0,1|2,0,0]=4 4919 B13R1.513 NC(=O)CCOc1ccc(cn1)F 34a_100000742473_100000731001 [0,1,0,0,0,1|2,0,0]=4 4920 B13R1.513 NC(=O)CCOc1ccc(cn1)N 34a_100000729260_100000731001 [0,1,0,0,0,1|2,0,0]=4 4921 B13R1.513 NC(=O)CCOc1ccc(nc1)Br 34a_100000685995_100000731001 [0,1,0,0,0,1|2,0,0]=4 4922 B13R1.513 NC(=O)CCOc1ccc(nc1)Br 7a_100000685995_100000744528 [0,1,0,0,0,1|2,0,0]=4 4923 B13R1.513 NC(=O)CCOc1ccc(nc1)Cl 34a_100000744096_100000731001 [0,1,0,0,0,1|2,0,0]=4 4924 B13R1.513 NC(=O)CCOc1ccc(nc1)Cl 7a_100000744096_100000744528 [0,1,0,0,0,1|2,0,0]=4 4925 B13R1.513 NC(=O)CCOc1ccc(nc1)F 34a_100000688820_100000731001 [0,1,0,0,0,1|2,0,0]=4 4926 B13R1.513 NC(=O)CCOc1ccc(nc1)F 7a_100000688820_100000744528 [0,1,0,0,0,1|2,0,0]=4 4927 B13R1.513 NC(=O)CCOc1ccc(nc1)I 34a_100000687607_100000731001 [0,1,0,0,0,1|2,0,0]=4 4928 B13R1.513 NC(=O)CCOc1ccc(nc1)I 7a_100000687607_100000744528 [0,1,0,0,0,1|2,0,0]=4 4929 B13R1.513 NC(=O)CCOc1ccc(nc1)N 34a_100015188713_100000731001 [0,1,0,0,0,1|2,0,0]=4 4930 B13R1.513 NC(=O)CCOc1ccc(nc1)N 7a_100015188713_100000744528 [0,1,0,0,0,1|2,0,0]=4 4931 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000744528_100000752885 [0,1,0,0,0,1|1,1,0]=4 4932 B13R1.513 NC(=O)CCSc1ccc(cc1)Br 62a_100000752885_100000744528 [0,1,0,0,0,1|1,1,0]=4 4933 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000744528_100000755918 [0,1,0,0,0,1|1,1,0]=4 4934 B13R1.513 NC(=O)CCSc1ccc(cc1)Cl 62a_100000755918_100000744528 [0,1,0,0,0,1|1,1,0]=4 4935 B13R1.513 NC(=O)CCSc1ccc(cc1)F 62a_100000211213_100000744528 [0,1,0,0,0,1|1,1,0]=4 4936 B13R1.513 NC(=O)CCSc1ccc(cc1)F 62a_100000744528_100000211213 [0,1,0,0,0,1|1,1,0]=4 4937 B13R1.513 NC(=O)CCSc1ccc(cc1)N 62a_100000185761_100000744528 [0,1,0,0,0,1|1,1,0]=4 4938 B13R1.513 NC(=O)CCSc1ccc(cc1)N 62a_100000744528_100000185761 [0,1,0,0,0,1|1,1,0]=4 4939 B13R1.513 NC(=O)CCSc1ccc(cc1)O 62a_100000744528_100000185759 [0,1,0,0,0,1|1,1,0]=4 4940 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000174875_100000747473 [0,1,0,0,0,1|2,0,0]=4 4941 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 2230a_100000711301_100011217064 [0,1,0,0,0,1|2,0,0]=4 4942 B13R1.513 NC(=O)CNCc1ccc(cc1)Br 34a_100000174875_100000187820 [0,1,0,0,0,1|2,0,0]=4 4943 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 2230a_100000174871_100000747473 [0,1,0,0,0,1|2,0,0]=4 4944 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 2230a_100000711301_100000694040 [0,1,0,0,0,1|2,0,0]=4 4945 B13R1.513 NC(=O)CNCc1ccc(cc1)Cl 34a_100000174871_100000187820 [0,1,0,0,0,1|2,0,0]=4 4946 B13R1.513 NC(=O)CNCc1ccc(cc1)F 2230a_100000174882_100000747473 [0,1,0,0,0,1|2,0,0]=4 4947 B13R1.513 NC(=O)CNCc1ccc(cc1)F 2230a_100000711301_100000198546 [0,1,0,0,0,1|2,0,0]=4 4948 B13R1.513 NC(=O)CNCc1ccc(cc1)F 34a_100000174882_100000187820 [0,1,0,0,0,1|2,0,0]=4 4949 B13R1.513 NC(=O)CNCc1ccc(cc1)I 2230a_100000711301_100000189116 [0,1,0,0,0,1|2,0,0]=4 4950 B13R1.513 NC(=O)CNCc1ccc(cc1)I 2230a_100016989417_100000747473 [0,1,0,0,0,1|2,0,0]=4 4951 B13R1.513 NC(=O)CNCc1ccc(cc1)I 34a_100016989417_100000187820 [0,1,0,0,0,1|2,0,0]=4 4952 B13R1.513 NC(=O)CNCc1ccc(cc1)O 34a_100000185549_100000187820 [0,1,0,0,0,1|2,0,0]=4 4953 B13R1.513 NC(=O)COCc1cc[n+](cc1)[O-] 34a_100000031831_100000187820 [0,1,0,0,0,1|2,0,0]=4 4954 B13R1.513 NC(=O)COCc1cc[n+](cc1)[O-] 7a_100000031831_100000187820 [0,1,0,0,0,1|2,0,0]=4 4955 B13R1.513 NC(=O)COCc1ccc(=O)[nH]c1 34a_100011999846_100000187820 [0,1,0,0,0,1|2,0,0]=4 4956 B13R1.513 NC(=O)COCc1ccc(cc1)Br 34a_100000695286_100000187820 [0,1,0,0,0,1|1,0,0]=3 4957 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 34a_100000211118_100000187820 [0,1,0,0,0,1|1,0,0]=3 4958 B13R1.513 NC(=O)COCc1ccc(cc1)Cl 7a_100000211118_100000187820 [0,1,0,0,0,1|1,0,0]=3 4959 B13R1.513 NC(=O)COCc1ccc(cc1)F 34a_100000210977_100000187820 [0,1,0,0,0,1|1,0,0]=3 4960 B13R1.513 NC(=O)COCc1ccc(cc1)F 7a_100000210977_100000187820 [0,1,0,0,0,1|1,0,0]=3 4961 B13R1.513 NC(=O)COCc1ccc(cc1)I 34a_100000690907_100000187820 [0,1,0,0,0,1|1,0,0]=3 4962 B13R1.513 NC(=O)COCc1ccc(cc1)I 7a_100000690907_100000187820 [0,1,0,0,0,1|1,0,0]=3 4963 B13R1.513 NC(=O)COCc1ccc(cc1)N 34a_100011215238_100000187820 [0,1,0,0,0,1|1,0,0]=3 4964 B13R1.513 NC(=O)COCc1ccc(cn1)Br 34a_100000754261_100000187820 [0,1,0,0,0,1|2,0,0]=4 4965 B13R1.513 NC(=O)COCc1ccc(cn1)Cl 34a_100000703999_100000187820 [0,1,0,0,0,1|2,0,0]=4 4966 B13R1.513 NC(=O)COCc1ccc(cn1)F 34a_100011999454_100000187820 [0,1,0,0,0,1|2,0,0]=4 4967 B13R1.513 NC(=O)COCc1ccc(cn1)N 34a_100011998161_100000187820 [0,1,0,0,0,1|2,0,0]=4 4968 B13R1.513 NC(=O)COCc1ccc(nc1)Br 34a_100009816760_100000187820 [0,1,0,0,0,1|2,0,0]=4 4969 B13R1.513 NC(=O)COCc1ccc(nc1)Br 7a_100009816760_100000187820 [0,1,0,0,0,1|2,0,0]=4 4970 B13R1.513 NC(=O)COCc1ccc(nc1)Cl 34a_100000755211_100000187820 [0,1,0,0,0,1|2,0,0]=4 4971 B13R1.513 NC(=O)COCc1ccc(nc1)Cl 7a_100000755211_100000187820 [0,1,0,0,0,1|2,0,0]=4 4972 B13R1.513 NC(=O)COCc1ccc(nc1)F 34a_100000079959_100000187820 [0,1,0,0,0,1|2,0,0]=4 4973 B13R1.513 NC(=O)COCc1ccc(nc1)N 34a_100000704267_100000187820 [0,1,0,0,0,1|2,0,0]=4 4974 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000189115_100000747473 [0,1,0,0,0,1|1,1,0]=4 4975 B13R1.513 NC(=O)CSCc1ccc(cc1)Br 62a_100000747473_100000189115 [0,1,0,0,0,1|1,1,0]=4 4976 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000187161_100000747473 [0,1,0,0,0,1|1,1,0]=4 4977 B13R1.513 NC(=O)CSCc1ccc(cc1)Cl 62a_100000747473_100000187161 [0,1,0,0,0,1|1,1,0]=4 4978 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000198546_100000747473 [0,1,0,0,0,1|1,1,0]=4 4979 B13R1.513 NC(=O)CSCc1ccc(cc1)F 62a_100000747473_100000187164 [0,1,0,0,0,1|1,1,0]=4 4980 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000189116_100000747473 [0,1,0,0,0,1|1,1,0]=4 4981 B13R1.513 NC(=O)CSCc1ccc(cc1)I 62a_100000747473_100000189116 [0,1,0,0,0,1|1,1,0]=4 4982 B13R1.513 Nc1ccc(cc1)COCC(=O)[O-] 34a_100011215238_100020667443 [0,1,0,0,0,1|0,0,1]=3 4983 B13R1.513 Nc1ccc(cc1)COC[N+](=O)[O-] 34a_100011215238_100000761209 [0,1,0,0,0,1|1,0,1]=4 4984 B13R1.513 Nc1ccc(cn1)COCC(=O)[O-] 34a_100000704267_100020667443 [0,1,0,0,0,1|1,0,1]=4 4985 B13R1.513 Nc1ccc(nc1)COCC(=O)[O-] 34a_100011998161_100020667443 [0,1,0,0,0,1|1,0,1]=4 4986 B13R1.513 O=C(O)CNCc1ccc(cc1)Br 269956a_100016091260_100011217064 [0,1,0,0,0,1|1,0,0]=3 4987 B13R1.513 O=C(O)CNCc1ccc(cc1)Cl 269956a_100016091260_100000187161 [0,1,0,0,0,1|1,0,0]=3 4988 B13R1.513 O=C(O)CNCc1ccc(cc1)F 269956a_100016091260_100000198546 [0,1,0,0,0,1|1,0,0]=3 4989 B13R1.513 O=C(O)CNCc1ccc(cc1)I 269956a_100016091260_100000189116 [0,1,0,0,0,1|1,0,0]=3 4990 B13R1.513 O=C(O)CNCc1ccc(cn1)Br 269956a_100016091260_100000702658 [0,1,0,0,0,1|2,0,0]=4 4991 B13R1.513 O=C(O)CNCc1ccc(cn1)Cl 269956a_100016091260_100012066911 [0,1,0,0,0,1|2,0,0]=4 4992 B13R1.513 O=C(O)CNCc1ccc(cn1)F 269956a_100016091260_100000703193 [0,1,0,0,0,1|2,0,0]=4 4993 B13R1.513 O=C(O)CNCc1ccc(nc1)Br 269956a_100016091260_100009831999 [0,1,0,0,0,1|2,0,0]=4 4994 B13R1.513 O=C(O)CNCc1ccc(nc1)Cl 269956a_100016091260_100000735431 [0,1,0,0,0,1|2,0,0]=4 4995 B13R1.513 O=C(O)CNCc1ccc(nc1)F 269956a_100016091260_100009820150 [0,1,0,0,0,1|2,0,0]=4 4996 B13R1.513 O=C([O-])CNCc1ccc(cc1)Br 34a_100000174875_100020667443 [0,1,0,0,0,1|1,0,1]=4 4997 B13R1.513 O=C([O-])CNCc1ccc(cc1)Cl 34a_100000174871_100020667443 [0,1,0,0,0,1|1,0,1]=4 4998 B13R1.513 O=C([O-])CNCc1ccc(cc1)F 34a_100000174882_100020667443 [0,1,0,0,0,1|1,0,1]=4 4999 B13R1.513 O=C([O-])CNCc1ccc(cc1)I 34a_100016989417_100020667443 [0,1,0,0,0,1|1,0,1]=4 5000 B13R1.513 O=C([O-])CNCc1ccc(cc1)O 34a_100000185549_100020667443 [0,1,0,0,0,1|1,0,1]=4 5001 B13R1.513 O=C([O-])COCc1cc[n+](cc1)[O-] 34a_100000031831_100020667443 [0,1,0,0,0,1|1,0,1]=4 5002 B13R1.513 O=C([O-])COCc1ccc(=O)[nH]c1 34a_100011999846_100020667443 [0,1,0,0,0,1|1,0,1]=4 5003 B13R1.513 O=C([O-])COCc1ccc(cc1)Br 34a_100000695286_100020667443 [0,1,0,0,0,1|0,0,1]=3 5004 B13R1.513 O=C([O-])COCc1ccc(cc1)Cl 34a_100000211118_100020667443 [0,1,0,0,0,1|0,0,1]=3 5005 B13R1.513 O=C([O-])COCc1ccc(cc1)F 34a_100000210977_100020667443 [0,1,0,0,0,1|0,0,1]=3 5006 B13R1.513 O=C([O-])COCc1ccc(cc1)I 34a_100000690907_100020667443 [0,1,0,0,0,1|0,0,1]=3 5007 B13R1.513 O=C([O-])COCc1ccc(cn1)Br 34a_100000754261_100020667443 [0,1,0,0,0,1|1,0,1]=4 5008 B13R1.513 O=C([O-])COCc1ccc(cn1)Cl 34a_100000703999_100020667443 [0,1,0,0,0,1|1,0,1]=4 5009 B13R1.513 O=C([O-])COCc1ccc(cn1)F 34a_100011999454_100020667443 [0,1,0,0,0,1|1,0,1]=4 5010 B13R1.513 O=C([O-])COCc1ccc(nc1)Br 34a_100009816760_100020667443 [0,1,0,0,0,1|1,0,1]=4 5011 B13R1.513 O=C([O-])COCc1ccc(nc1)Cl 34a_100000755211_100020667443 [0,1,0,0,0,1|1,0,1]=4 5012 B13R1.513 O=C([O-])COCc1ccc(nc1)F 34a_100000079959_100020667443 [0,1,0,0,0,1|1,0,1]=4 5013 B13R1.513 O=C([O-])CSCc1ccc(cc1)Br 62a_100000189115_100020667443 [0,1,0,0,0,1|0,1,1]=4 5014 B13R1.513 O=C([O-])CSCc1ccc(cc1)Br 62a_100020667443_100000189115 [0,1,0,0,0,1|0,1,1]=4 5015 B13R1.513 O=C([O-])CSCc1ccc(cc1)Cl 62a_100000187161_100020667443 [0,1,0,0,0,1|0,1,1]=4 5016 B13R1.513 O=C([O-])CSCc1ccc(cc1)Cl 62a_100020667443_100000187161 [0,1,0,0,0,1|0,1,1]=4 5017 B13R1.513 O=C([O-])CSCc1ccc(cc1)F 62a_100000198546_100020667443 [0,1,0,0,0,1|0,1,1]=4 5018 B13R1.513 O=C([O-])CSCc1ccc(cc1)F 62a_100020667443_100000187164 [0,1,0,0,0,1|0,1,1]=4 5019 B13R1.513 O=C([O-])CSCc1ccc(cc1)I 62a_100000189116_100020667443 [0,1,0,0,0,1|0,1,1]=4 5020 B13R1.513 O=C([O-])CSCc1ccc(cc1)I 62a_100020667443_100000189116 [0,1,0,0,0,1|0,1,1]=4 5021 B13R1.513 O=[N+]([O-])COCc1ccc(cc1)Br 34a_100000695286_100000761209 [0,1,0,0,0,1|1,0,1]=4 5022 B13R1.513 O=[N+]([O-])COCc1ccc(cc1)Cl 34a_100000211118_100000761209 [0,1,0,0,0,1|1,0,1]=4 5023 B13R1.513 O=[N+]([O-])COCc1ccc(cc1)F 34a_100000210977_100000761209 [0,1,0,0,0,1|1,0,1]=4 5024 B13R1.513 O=[N+]([O-])COCc1ccc(cc1)I 34a_100000690907_100000761209 [0,1,0,0,0,1|1,0,1]=4 5025 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Br 1458a_100011236545_200025704644 [0,1,0,0,0,1|2,0,0]=4 5026 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)Cl 1458a_100000741339_200025704644 [0,1,0,0,0,1|2,0,0]=4 5027 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)F 1458a_100011219804_200025704644 [0,1,0,0,0,1|2,0,0]=4 5028 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)I 1458a_100011236544_200025704644 [0,1,0,0,0,1|2,0,0]=4 5029 B13R1.513 [13CH3]C(=O)CCCc1ccc(cc1)O 1458a_100000116853_200025704644 [0,1,0,0,0,1|2,0,0]=4 5030 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Br 1458a_100000738328_200025704644 [0,1,0,0,0,1|1,0,0]=3 5031 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)Cl 1458a_100000186438_200025704644 [0,1,0,0,0,1|1,0,0]=3 5032 B13R1.513 [13CH3]C(=O)CCOc1ccc(cc1)F 1458a_100000737396_200025704644 [0,1,0,0,0,1|1,0,0]=3 5033 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)Br 1458a_100000208627_200025704644 [0,1,0,0,0,1|1,1,0]=4 5034 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)Cl 1458a_100000182369_200025704644 [0,1,0,0,0,1|1,1,0]=4 5035 B13R1.513 [13CH3]C(=O)CCSc1ccc(cc1)F 1458a_100000199091_200025704644 [0,1,0,0,0,1|1,1,0]=4 5036 B13R1.513 [13CH3]C(=O)COCc1ccc(cc1)Br 1458a_200012349173_200025704644 [0,1,0,0,0,1|1,0,0]=3 5037 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)Br 1458a_100000150267_200025704644 [0,1,0,0,0,1|1,1,0]=4 5038 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)Cl 1458a_100000150262_200025704644 [0,1,0,0,0,1|1,1,0]=4 5039 B13R1.513 [13CH3]C(=O)CSCc1ccc(cc1)F 1458a_100000150272_200025704644 [0,1,0,0,0,1|1,1,0]=4 5040 B13R1.718 C#CC(=O)C/C=C/c1ccccc1 1458a_100000211873_100016265936 [0,1,0,0,0,1|2,0,0]=4 5041 B13R1.718 C#CC(=O)CC#Cc1ccccc1 1458a_100000211873_100011352542 [0,1,0,0,0,1|2,0,0]=4 5042 B13R1.718 C#CC(=O)CCCc1ccccc1 1458a_100000211873_100000211621 [0,1,0,0,0,1|2,0,0]=4 5043 B13R1.718 C#CC(=O)CCOc1ccccc1 1458a_100000211873_100000184471 [0,1,0,0,0,1|1,0,0]=3 5044 B13R1.718 C#CC(=O)CCSc1ccccc1 1458a_100000211873_100000246102 [0,1,0,0,0,1|1,1,0]=4 5045 B13R1.718 C#CC(=O)CSCc1ccccc1 1458a_100000211873_200011217039 [0,1,0,0,0,1|1,1,0]=4 5046 B13R1.718 C=C(C#N)COCc1ccccc1 34a_100000210790_100000694840 [0,1,0,0,0,1|2,0,0]=4 5047 B13R1.718 C=CC(=O)C/C=C/c1ccccc1 1458a_100000185746_100016265936 [0,1,0,0,0,1|2,0,0]=4 5048 B13R1.718 C=CC(=O)CC#Cc1ccccc1 1458a_100000185746_100011352542 [0,1,0,0,0,1|2,0,0]=4 5049 B13R1.718 C=CC(=O)CCCc1ccccc1 1458a_100000185746_100000211621 [0,1,0,0,0,1|2,0,0]=4 5050 B13R1.718 C=CC(=O)CCOc1ccccc1 1458a_100000185746_100000184471 [0,1,0,0,0,1|1,0,0]=3 5051 B13R1.718 C=CC(=O)CCSc1ccccc1 1458a_100000185746_100000246102 [0,1,0,0,0,1|1,1,0]=4 5052 B13R1.718 C=CC(=O)CSCc1ccccc1 1458a_100000185746_200011217039 [0,1,0,0,0,1|1,1,0]=4 5053 B13R1.718 C=CC(=O)NCCc1ccccc1 1626a_100000106460_100000185746 [0,1,0,0,0,1|2,0,0]=4 5054 B13R1.718 C=CC(=O)NCCc1ccccc1 240690a_100000106460_200121576911 [0,1,0,0,0,1|2,0,0]=4 5055 B13R1.718 C=CC(O)COCc1ccccc1 34a_100000210790_100000730141 [0,1,0,0,0,1|1,0,1]=4 5056 B13R1.718 C=CC(O)COCc1ccccc1 7a_100000210790_100000730141 [0,1,0,0,0,1|1,0,1]=4 5057 B13R1.718 CC(COCc1ccccc1)O[13CH3] 34a_100000764311_200025704644 [0,1,0,0,0,1|1,0,1]=4 5058 B13R1.718 CC(COCc1ccccc1)O[13CH3] 7a_100000764311_200025704644 [0,1,0,0,0,1|1,0,1]=4 5059 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100000210414_100016265936 [0,1,0,0,0,1|2,0,0]=4 5060 B13R1.718 CCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210202 [0,1,0,0,0,1|2,0,0]=4 5061 B13R1.718 CCC(=O)CC#Cc1ccccc1 1458a_100000210414_100011352542 [0,1,0,0,0,1|2,0,0]=4 5062 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100000210414_100000211621 [0,1,0,0,0,1|2,0,0]=4 5063 B13R1.718 CCC(=O)CCCc1ccccc1 1458a_100011207963_100000210202 [0,1,0,0,0,1|2,0,0]=4 5064 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000182761_100000210202 [0,1,0,0,0,1|1,0,0]=3 5065 B13R1.718 CCC(=O)CCOc1ccccc1 1458a_100000210414_100000184471 [0,1,0,0,0,1|1,0,0]=3 5066 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000182436_100000210202 [0,1,0,0,0,1|1,1,0]=4 5067 B13R1.718 CCC(=O)CCSc1ccccc1 1458a_100000210414_100000246102 [0,1,0,0,0,1|1,1,0]=4 5068 B13R1.718 CCC(=O)COCc1ccccc1 1458a_100000230186_100000210202 [0,1,0,0,0,1|1,0,0]=3 5069 B13R1.718 CCC(=O)COCc1ccccc1 34a_100000725409_100015291786 [0,1,0,0,0,1|1,0,0]=3 5070 B13R1.718 CCC(=O)COCc1ccccc1 7a_100000210790_100000747405 [0,1,0,0,0,1|1,0,0]=3 5071 B13R1.718 CCC(=O)COCc1ccccn1 34a_100000725409_100000721315 [0,1,0,0,0,1|2,0,0]=4 5072 B13R1.718 CCC(=O)COCc1cccnc1 34a_100000725409_100000733263 [0,1,0,0,0,1|2,0,0]=4 5073 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000150264_100000210202 [0,1,0,0,0,1|1,1,0]=4 5074 B13R1.718 CCC(=O)CSCc1ccccc1 1458a_100000210414_200011217039 [0,1,0,0,0,1|1,1,0]=4 5075 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000211182_100000747405 [0,1,0,0,0,1|1,1,0]=4 5076 B13R1.718 CCC(=O)CSCc1ccccc1 62a_100000747405_100015291786 [0,1,0,0,0,1|1,1,0]=4 5077 B13R1.718 CCC(=O)NCCc1ccccc1 11a_100000106460_100000210414 [0,1,0,0,0,1|2,0,0]=4 5078 B13R1.718 CCC(=O)NCCc1ccccc1 1626a_100000106460_100000210414 [0,1,0,0,0,1|2,0,0]=4 5079 B13R1.718 CCC(=O)NCCc1ccccc1 240690a_100000106460_100000210414 [0,1,0,0,0,1|2,0,0]=4 5080 B13R1.718 CCC(=O)NCCc1ccccc1 527a_100000106460_100000210414 [0,1,0,0,0,1|2,0,0]=4 5081 B13R1.718 CCC(O)COCc1ccccc1 34a_100000210790_100011218378 [0,1,0,0,0,1|1,0,1]=4 5082 B13R1.718 CCC(O)COCc1ccccc1 7a_100000210790_100011218378 [0,1,0,0,0,1|1,0,1]=4 5083 B13R1.718 CNC(=O)C/C=C/c1ccccc1 11a_106832991635_100011219626 [0,1,0,0,0,1|2,0,0]=4 5084 B13R1.718 CNC(=O)C/C=C/c1ccccc1 1626a_100102657272_100011219626 [0,1,0,0,0,1|2,0,0]=4 5085 B13R1.718 CNC(=O)C/C=C/c1ccccc1 240690a_100102657272_100011219626 [0,1,0,0,0,1|2,0,0]=4 5086 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,1,0,0,0,1|2,0,0]=4 5087 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,1,0,0,0,1|2,0,0]=4 5088 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,1,0,0,0,1|2,0,0]=4 5089 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,1,0,0,0,1|2,0,0]=4 5090 B13R1.718 CNC(=O)CCNc1ccccc1 34a_100000106764_100012179268 [0,1,0,0,0,1|2,0,0]=4 5091 B13R1.718 CNC(=O)CCOc1ccccc1 11a_106832991635_100000182761 [0,1,0,0,0,1|1,0,0]=3 5092 B13R1.718 CNC(=O)CCOc1ccccc1 1626a_100102657272_100000182761 [0,1,0,0,0,1|1,0,0]=3 5093 B13R1.718 CNC(=O)CCOc1ccccc1 240690a_100102657272_100000182761 [0,1,0,0,0,1|1,0,0]=3 5094 B13R1.718 CNC(=O)CCOc1ccccc1 34a_100000210340_100012179268 [0,1,0,0,0,1|1,0,0]=3 5095 B13R1.718 CNC(=O)CCOc1ccccc1 7a_100000210340_100000737683 [0,1,0,0,0,1|1,0,0]=3 5096 B13R1.718 CNC(=O)CCOc1cccnc1 34a_100000210849_100012179268 [0,1,0,0,0,1|2,0,0]=4 5097 B13R1.718 CNC(=O)CCOc1cccnc1 7a_100000210849_100000737683 [0,1,0,0,0,1|2,0,0]=4 5098 B13R1.718 CNC(=O)CCOc1ccncc1 34a_100000212176_100012179268 [0,1,0,0,0,1|2,0,0]=4 5099 B13R1.718 CNC(=O)CCSc1ccccc1 11a_106832991635_100000182436 [0,1,0,0,0,1|1,1,0]=4 5100 B13R1.718 CNC(=O)CCSc1ccccc1 1626a_100102657272_100000182436 [0,1,0,0,0,1|1,1,0]=4 5101 B13R1.718 CNC(=O)CCSc1ccccc1 240690a_100102657272_100000182436 [0,1,0,0,0,1|1,1,0]=4 5102 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000719477_100000737683 [0,1,0,0,0,1|1,1,0]=4 5103 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000737683_100000041952 [0,1,0,0,0,1|1,1,0]=4 5104 B13R1.718 CNC(=O)CNCc1ccccc1 207a_100000693194_100015611070 [0,1,0,0,0,1|2,0,0]=4 5105 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100000693194_100015291786 [0,1,0,0,0,1|2,0,0]=4 5106 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100015324214_100000183359 [0,1,0,0,0,1|2,0,0]=4 5107 B13R1.718 CNC(=O)CNCc1ccccc1 270004a_100000693194_100015611070 [0,1,0,0,0,1|2,0,0]=4 5108 B13R1.718 CNC(=O)CNCc1ccccc1 34a_100015324214_100000183359 [0,1,0,0,0,1|2,0,0]=4 5109 B13R1.718 CNC(=O)COCc1ccccc1 11a_106832991635_100000230186 [0,1,0,0,0,1|1,0,0]=3 5110 B13R1.718 CNC(=O)COCc1ccccc1 1626a_100102657272_100000230186 [0,1,0,0,0,1|1,0,0]=3 5111 B13R1.718 CNC(=O)COCc1ccccc1 240690a_100102657272_100000230186 [0,1,0,0,0,1|1,0,0]=3 5112 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000210790_100000183359 [0,1,0,0,0,1|1,0,0]=3 5113 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000750040_100015291786 [0,1,0,0,0,1|1,0,0]=3 5114 B13R1.718 CNC(=O)COCc1ccccc1 527a_100102657272_100000230186 [0,1,0,0,0,1|1,0,0]=3 5115 B13R1.718 CNC(=O)COCc1ccccc1 7a_100000210790_100000183359 [0,1,0,0,0,1|1,0,0]=3 5116 B13R1.718 CNC(=O)COCc1ccccn1 34a_100000750040_100000721315 [0,1,0,0,0,1|2,0,0]=4 5117 B13R1.718 CNC(=O)COCc1cccnc1 34a_100000750040_100000733263 [0,1,0,0,0,1|2,0,0]=4 5118 B13R1.718 CNC(=O)CSCc1ccccc1 11a_106832991635_100000150264 [0,1,0,0,0,1|1,1,0]=4 5119 B13R1.718 CNC(=O)CSCc1ccccc1 1626a_100102657272_100000150264 [0,1,0,0,0,1|1,1,0]=4 5120 B13R1.718 CNC(=O)CSCc1ccccc1 240690a_100102657272_100000150264 [0,1,0,0,0,1|1,1,0]=4 5121 B13R1.718 CNC(=O)CSCc1ccccc1 527a_100102657272_100000150264 [0,1,0,0,0,1|1,1,0]=4 5122 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000183359_100015291786 [0,1,0,0,0,1|1,1,0]=4 5123 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000211182_100000183359 [0,1,0,0,0,1|1,1,0]=4 5124 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [0,1,0,0,0,1|2,0,0]=4 5125 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [0,1,0,0,0,1|2,0,0]=4 5126 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [0,1,0,0,0,1|2,0,0]=4 5127 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [0,1,0,0,0,1|2,0,0]=4 5128 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [0,1,0,0,0,1|2,0,0]=4 5129 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [0,1,0,0,0,1|2,0,0]=4 5130 B13R1.718 COC(=O)C=NNc1ccccc1 4a_100015195140_200011823558 [0,1,0,0,0,1|1,0,1]=4 5131 B13R1.718 COC(=O)CCNc1ccccc1 34a_100000106764_100000742370 [0,1,0,0,0,1|1,0,0]=3 5132 B13R1.718 COC(=O)CCOc1ccccc1 34a_100000210340_100000742370 [0,1,0,0,0,1|0,0,0]=2 5133 B13R1.718 COC(=O)CCOc1ccccc1 7a_100000210340_100000204255 [0,1,0,0,0,1|0,0,0]=2 5134 B13R1.718 COC(=O)CCOc1cccnc1 34a_100000210849_100000742370 [0,1,0,0,0,1|1,0,0]=3 5135 B13R1.718 COC(=O)CCOc1cccnc1 7a_100000210849_100000204255 [0,1,0,0,0,1|1,0,0]=3 5136 B13R1.718 COC(=O)CCOc1ccncc1 34a_100000212176_100000742370 [0,1,0,0,0,1|1,0,0]=3 5137 B13R1.718 COC(=O)CCOc1ccnnc1 34a_100015204005_100000742370 [0,1,0,0,0,1|2,0,0]=4 5138 B13R1.718 COC(=O)CCOc1cncnc1 7a_100000754086_100000204255 [0,1,0,0,0,1|2,0,0]=4 5139 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000204255_100000041952 [0,1,0,0,0,1|0,1,0]=3 5140 B13R1.718 COC(=O)CCSc1ccccc1 62a_100000719477_100000204255 [0,1,0,0,0,1|0,1,0]=3 5141 B13R1.718 COC(=O)CCSc1ccccn1 62a_100000204255_100011216584 [0,1,0,0,0,1|1,1,0]=4 5142 B13R1.718 COC(=O)CCSc1ccccn1 62a_100011216584_100000204255 [0,1,0,0,0,1|1,1,0]=4 5143 B13R1.718 COC(=O)CCSc1cccnc1 62a_100000204255_100000210063 [0,1,0,0,0,1|1,1,0]=4 5144 B13R1.718 COC(=O)CCSc1cccnc1 62a_100000210063_100000204255 [0,1,0,0,0,1|1,1,0]=4 5145 B13R1.718 COC(=O)CCSc1ccncc1 62a_100000204255_100000728582 [0,1,0,0,0,1|1,1,0]=4 5146 B13R1.718 COC(=O)CCSc1ccncc1 62a_100000728582_100000204255 [0,1,0,0,0,1|1,1,0]=4 5147 B13R1.718 COC(=O)CNCc1ccccc1 2230a_100015324214_100000747449 [0,1,0,0,0,1|1,0,0]=3 5148 B13R1.718 COC(=O)CNCc1ccccc1 34a_100015324214_100000747449 [0,1,0,0,0,1|1,0,0]=3 5149 B13R1.718 COC(=O)COCc1ccccc1 34a_100000210790_100000747449 [0,1,0,0,0,1|0,0,0]=2 5150 B13R1.718 COC(=O)COCc1ccccc1 7a_100000210790_100000747449 [0,1,0,0,0,1|0,0,0]=2 5151 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000211182_100000747449 [0,1,0,0,0,1|0,1,0]=3 5152 B13R1.718 COC(=O)CSCc1ccccc1 62a_100000747449_100015291786 [0,1,0,0,0,1|0,1,0]=3 5153 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000721315_100000747449 [0,1,0,0,0,1|1,1,0]=4 5154 B13R1.718 COC(=O)CSCc1ccccn1 62a_100000747449_100000721315 [0,1,0,0,0,1|1,1,0]=4 5155 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000741622_100000747449 [0,1,0,0,0,1|1,1,0]=4 5156 B13R1.718 COC(=O)CSCc1cccnc1 62a_100000747449_100000741622 [0,1,0,0,0,1|1,1,0]=4 5157 B13R1.718 COC(=O)CSCc1ccncc1 62a_100000747449_100015193705 [0,1,0,0,0,1|1,1,0]=4 5158 B13R1.718 COC(=O)CSCc1ccncc1 62a_100015193705_100000747449 [0,1,0,0,0,1|1,1,0]=4 5159 B13R1.718 COC(=O)OCSc1ccccc1 62a_100000719477_100000139417 [0,1,0,0,0,1|0,1,0]=3 5160 B13R1.718 COC(=O)OCSc1ccccn1 62a_100011216584_100000139417 [0,1,0,0,0,1|1,1,0]=4 5161 B13R1.718 COC(=O)OCSc1cccnc1 62a_100000210063_100000139417 [0,1,0,0,0,1|1,1,0]=4 5162 B13R1.718 COC(=O)OCSc1ccncc1 62a_100000728582_100000139417 [0,1,0,0,0,1|1,1,0]=4 5163 B13R1.718 COC(C)COCc1ccccc1 34a_100000690652_100015291786 [0,1,0,0,0,1|1,0,1]=4 5164 B13R1.718 COC(C)COCc1ccccc1 34a_100000764311_200000210301 [0,1,0,0,0,1|1,0,1]=4 5165 B13R1.718 COC(C)COCc1ccccc1 7a_100000764311_200000210301 [0,1,0,0,0,1|1,0,1]=4 5166 B13R1.718 C[C@@H](CO)COCc1ccccc1 34a_100000210790_100000059175 [0,1,0,0,0,1|1,0,1]=4 5167 B13R1.718 C[C@@H](CO)COCc1ccccc1 7a_100000210790_100000059175 [0,1,0,0,0,1|1,0,1]=4 5168 B13R1.718 O=C(CF)C/C=C/c1ccccc1 1458a_100011219626_100015361967 [0,1,0,0,0,1|2,0,0]=4 5169 B13R1.718 O=C(CF)CCCc1ccccc1 1458a_100011207963_100015361967 [0,1,0,0,0,1|2,0,0]=4 5170 B13R1.718 O=C(CF)CCOc1ccccc1 1458a_100000182761_100015361967 [0,1,0,0,0,1|1,0,0]=3 5171 B13R1.718 O=C(CF)CCSc1ccccc1 1458a_100000182436_100015361967 [0,1,0,0,0,1|1,1,0]=4 5172 B13R1.718 O=C(CF)COCc1ccccc1 1458a_100000230186_100015361967 [0,1,0,0,0,1|1,0,0]=3 5173 B13R1.718 O=C(CF)CSCc1ccccc1 1458a_100000150264_100015361967 [0,1,0,0,0,1|1,1,0]=4 5174 B13R1.718 O=C(CO)C/C=C/c1ccccc1 1458a_100000210174_100016265936 [0,1,0,0,0,1|1,0,0]=3 5175 B13R1.718 O=C(CO)CC#Cc1ccccc1 1458a_100000210174_100011352542 [0,1,0,0,0,1|1,0,0]=3 5176 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,1,0,0,0,1|1,0,0]=3 5177 B13R1.718 O=C(CO)CCOc1ccccc1 1458a_100000210174_100000184471 [0,1,0,0,0,1|0,0,0]=2 5178 B13R1.718 O=C(CO)CCSc1ccccc1 1458a_100000210174_100000246102 [0,1,0,0,0,1|0,1,0]=3 5179 B13R1.718 O=C(CO)CSCc1ccccc1 1458a_100000210174_200011217039 [0,1,0,0,0,1|0,1,0]=3 5180 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [0,1,0,0,0,1|1,0,0]=3 5181 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [0,1,0,0,0,1|1,0,0]=3 5182 B13R1.718 O=C(CO)NCCc1ccccn1 240690a_100000211156_100000210174 [0,1,0,0,0,1|2,0,0]=4 5183 B13R1.718 O=C(CO)NCCc1ccccn1 527a_100000211156_100000210174 [0,1,0,0,0,1|2,0,0]=4 5184 B13R1.718 O=C(CO)NCCc1cccnc1 240690a_100000736294_100000210174 [0,1,0,0,0,1|2,0,0]=4 5185 B13R1.718 O=C(CO)NCCc1cccnc1 527a_100000736294_100000210174 [0,1,0,0,0,1|2,0,0]=4 5186 B13R1.718 O=C(CO)NCCc1ccncc1 240690a_100000742849_100000210174 [0,1,0,0,0,1|2,0,0]=4 5187 B13R1.718 O=C(CO)NCCc1ccncc1 527a_100000742849_100000210174 [0,1,0,0,0,1|2,0,0]=4 5188 B13R1.718 O=C(CO)NNCc1ccccc1 22a_100000007032_100000210174 [0,1,0,0,0,1|2,0,0]=4 5189 B13R1.718 OCC(O)COCc1ccccc1 34a_100000210790_100011219619 [0,1,0,0,0,1|0,0,2]=4 5190 B13R1.718 OCC(O)COCc1ccccc1 7a_100000210790_100011219619 [0,1,0,0,0,1|0,0,2]=4 5191 B13R1.718 OC[C@H](O)COCc1ccccc1 34a_100000210790_100009815848 [0,1,0,0,0,1|0,0,2]=4 5192 B13R1.718 OC[C@H](O)COCc1ccccc1 7a_100000210790_100009815848 [0,1,0,0,0,1|0,0,2]=4 5193 B13R1.718 O[C@@H](CF)COCc1ccccc1 34a_100000210790_100015614560 [0,1,0,0,0,1|1,0,1]=4 5194 B13R1.718 O[C@@H](CF)COCc1ccccc1 7a_100000210790_100015614560 [0,1,0,0,0,1|1,0,1]=4 5195 B13R1.3523 CC(C)(O)CCOc1ccccc1 34a_100000210340_100000702414 [0,1,0,0,0,1|1,0,1]=4 5196 B13R1.3523 CC(C)(O)CCOc1ccccc1 7a_100000210340_100000702414 [0,1,0,0,0,1|1,0,1]=4 5197 B13R1.3523 CC(C)(O)COCc1ccccc1 34a_100000210790_100000764493 [0,1,0,0,0,1|1,0,1]=4 5198 B13R1.3523 CC(C)(O)COCc1ccccc1 7a_100000210790_100000764493 [0,1,0,0,0,1|1,0,1]=4 5199 B13R1.3523 CS(=O)(=O)CCOc1ccccc1 34a_100000210340_100000731031 [0,1,0,0,0,1|1,0,1]=4 5200 B13R1.3523 CS(=O)(=O)CCOc1ccccc1 7a_100000210340_100000230027 [0,1,0,0,0,1|1,0,1]=4 5201 B13R1.3523 O=S(=O)([O-])CCOc1ccccc1 34a_100000210340_100000762736 [0,1,0,0,0,1|1,0,1]=4 5202 B13R1.3523 O=S(=O)([O-])COCc1ccccc1 34a_100000210790_100009817235 [0,1,0,0,0,1|1,0,1]=4 5203 B13R1.280 C=C(C)COc1cccccc1=O 34a_100000036025_100000748629 [0,1,0,0,0,1|2,0,0]=4 5204 B13R1.280 C=C(C)COc1cccccc1=O 7a_100000036025_100000748629 [0,1,0,0,0,1|2,0,0]=4 5205 B13R1.280 C=C(F)COc1cccccc1=O 34a_100000036025_100009893438 [0,1,0,0,0,1|2,0,0]=4 5206 B13R1.280 C=C(F)COc1cccccc1=O 7a_100000036025_100000042424 [0,1,0,0,0,1|2,0,0]=4 5207 B13R1.280 CC(O)COc1cccccc1=O 34a_100000036025_100011218427 [0,1,0,0,0,1|1,0,1]=4 5208 B13R1.280 CC(O)COc1cccccc1=O 7a_100000036025_100011218427 [0,1,0,0,0,1|1,0,1]=4 5209 B13R1.280 C[C@@H](O)COc1cccccc1=O 34a_100000036025_100009817552 [0,1,0,0,0,1|1,0,1]=4 5210 B13R1.280 C[C@@H](O)COc1cccccc1=O 7a_100000036025_100009817552 [0,1,0,0,0,1|1,0,1]=4 5211 B13R1.280 NC(=O)COc1cccccc1=O 34a_100000036025_100000187820 [0,1,0,0,0,1|1,0,0]=3 5212 B13R1.280 NC(=O)COc1cccccc1=O 7a_100000036025_100000187820 [0,1,0,0,0,1|1,0,0]=3 5213 B13R1.280 O=C([O-])COc1cccccc1=O 34a_100000036025_100020667443 [0,1,0,0,0,1|0,0,1]=3 5214 B13R1.280 O=c1cccccc1OC[N+](=O)[O-] 34a_100000036025_100000761209 [0,1,0,0,0,1|1,0,1]=4 5215 B13R1.3 C#Cc1ccc(cc1)NCC(=O)N 34a_100011215031_100000187820 [0,2,0,0,0,0|2,0,0]=4 5216 B13R1.3 C#Cc1ccc(cc1)NCC(=O)[O-] 34a_100011215031_100020667443 [0,2,0,0,0,0|1,0,1]=4 5217 B13R1.3 C#Cc1ccc(nc1)OCC(=O)N 34a_200009884252_100000187820 [0,2,0,0,0,0|2,0,0]=4 5218 B13R1.3 C#Cc1ccc(nc1)OCC(=O)[O-] 34a_200009884252_100020667443 [0,2,0,0,0,0|1,0,1]=4 5219 B13R1.3 C=C(C)COc1ccc(cc1)C#N 34a_100000210344_100000748629 [0,2,0,0,0,0|2,0,0]=4 5220 B13R1.3 C=C(C)COc1ccc(cc1)C#N 7a_100000210344_100000748629 [0,2,0,0,0,0|2,0,0]=4 5221 B13R1.3 C=C(C)COc1ccc(cc1)CC 34a_100000211359_100000748629 [0,2,0,0,0,0|2,0,0]=4 5222 B13R1.3 C=C(C)COc1ccc(cc1)CC 7a_100000211359_100000748629 [0,2,0,0,0,0|2,0,0]=4 5223 B13R1.3 C=C(C)COc1ccc(cc1)CN 34a_100000185549_100000748629 [0,2,0,0,0,0|2,0,0]=4 5224 B13R1.3 C=C(C)COc1ccc(cc1)CO 34a_100000211755_100000748629 [0,2,0,0,0,0|2,0,0]=4 5225 B13R1.3 C=C(C)COc1ccc(cc1)NC 2230a_200015186533_200000210301 [0,2,0,0,0,0|2,0,0]=4 5226 B13R1.3 C=C(C)COc1ccc(cc1)NC 34a_100000182112_100000748629 [0,2,0,0,0,0|2,0,0]=4 5227 B13R1.3 C=C(C)COc1ccc(cc1)NC 34a_200015186533_200000210301 [0,2,0,0,0,0|2,0,0]=4 5228 B13R1.3 C=C(C)COc1ccc(cc1)N[13CH3] 2230a_200015186533_200025704644 [0,2,0,0,0,0|2,0,0]=4 5229 B13R1.3 C=C(C)COc1ccc(cc1)N[13CH3] 34a_200015186533_200025704644 [0,2,0,0,0,0|2,0,0]=4 5230 B13R1.3 C=C(C)COc1ccc(cc1)OC 34a_100000210503_100000748629 [0,2,0,0,0,0|2,0,0]=4 5231 B13R1.3 C=C(C)COc1ccc(cc1)SC 34a_100000211864_100000748629 [0,2,0,0,0,0|2,0,0]=4 5232 B13R1.3 C=C(F)COc1ccc(cc1)C#N 34a_100000210344_100009893438 [0,2,0,0,0,0|2,0,0]=4 5233 B13R1.3 C=C(F)COc1ccc(cc1)C#N 7a_100000210344_100000042424 [0,2,0,0,0,0|2,0,0]=4 5234 B13R1.3 C=C(F)COc1ccc(cc1)CC 34a_100000211359_100009893438 [0,2,0,0,0,0|2,0,0]=4 5235 B13R1.3 C=C(F)COc1ccc(cc1)CC 7a_100000211359_100000042424 [0,2,0,0,0,0|2,0,0]=4 5236 B13R1.3 C=C(F)COc1ccc(cc1)CN 34a_100000185549_100009893438 [0,2,0,0,0,0|2,0,0]=4 5237 B13R1.3 C=C(F)COc1ccc(cc1)CO 34a_100000211755_100009893438 [0,2,0,0,0,0|2,0,0]=4 5238 B13R1.3 C=C(F)COc1ccc(cc1)NC 34a_100000182112_100009893438 [0,2,0,0,0,0|2,0,0]=4 5239 B13R1.3 C=C(F)COc1ccc(cc1)OC 34a_100000210503_100009893438 [0,2,0,0,0,0|2,0,0]=4 5240 B13R1.3 C=C(F)COc1ccc(cc1)SC 34a_100000211864_100009893438 [0,2,0,0,0,0|2,0,0]=4 5241 B13R1.3 C=Cc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000142037 [0,2,0,0,0,0|2,0,0]=4 5242 B13R1.3 C=Cc1ccc(cc1)CCC(=O)C 271570a_100011290941_100000723691 [0,2,0,0,0,0|2,0,0]=4 5243 B13R1.3 C=Cc1ccc(cc1)CCC(=O)N 271570a_100011290941_200010110666 [0,2,0,0,0,0|2,0,0]=4 5244 B13R1.3 C=Cc1ccc(cc1)NCC(=O)N 34a_100011218248_100000187820 [0,2,0,0,0,0|2,0,0]=4 5245 B13R1.3 C=Cc1ccc(cc1)NCC(=O)[O-] 34a_100011218248_100020667443 [0,2,0,0,0,0|1,0,1]=4 5246 B13R1.3 C=Cc1ccc(cc1)OCC(=C)C 34a_100000189437_100000748629 [0,2,0,0,0,0|2,0,0]=4 5247 B13R1.3 C=Cc1ccc(cc1)OCC(=C)C 7a_100000189437_100000748629 [0,2,0,0,0,0|2,0,0]=4 5248 B13R1.3 C=Cc1ccc(cc1)OCC(=C)F 34a_100000189437_100009893438 [0,2,0,0,0,0|2,0,0]=4 5249 B13R1.3 C=Cc1ccc(cc1)OCC(=C)F 7a_100000189437_100000042424 [0,2,0,0,0,0|2,0,0]=4 5250 B13R1.3 C=Cc1ccc(cc1)OCC(=O)N 34a_100000189437_100000187820 [0,2,0,0,0,0|1,0,0]=3 5251 B13R1.3 C=Cc1ccc(cc1)OCC(=O)N 7a_100000189437_100000187820 [0,2,0,0,0,0|1,0,0]=3 5252 B13R1.3 C=Cc1ccc(cc1)OCC(=O)[O-] 34a_100000189437_100020667443 [0,2,0,0,0,0|0,0,1]=3 5253 B13R1.3 C=Cc1ccc(cc1)OCC(C)O 34a_100000189437_100011218427 [0,2,0,0,0,0|1,0,1]=4 5254 B13R1.3 C=Cc1ccc(cc1)OCC(C)O 7a_100000189437_100011218427 [0,2,0,0,0,0|1,0,1]=4 5255 B13R1.3 C=Cc1ccc(cc1)OC[C@@H](C)O 34a_100000189437_100009817552 [0,2,0,0,0,0|1,0,1]=4 5256 B13R1.3 C=Cc1ccc(cc1)OC[C@@H](C)O 7a_100000189437_100009817552 [0,2,0,0,0,0|1,0,1]=4 5257 B13R1.3 C=Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000189437_100000761209 [0,2,0,0,0,0|1,0,1]=4 5258 B13R1.3 C=Cc1ccc(cc1)SCC(=O)N 271570a_100011290941_100000149456 [0,2,0,0,0,0|1,1,0]=4 5259 B13R1.3 C=Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000748128 [0,2,0,0,0,0|1,1,0]=4 5260 B13R1.3 C=Cc1ccc(cc1)SCC(=O)N 62a_100000748128_100000747473 [0,2,0,0,0,0|1,1,0]=4 5261 B13R1.3 C=Cc1ccc(cc1)SCC(=O)[O-] 62a_100000748128_100020667443 [0,2,0,0,0,0|0,1,1]=4 5262 B13R1.3 C=Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000748128 [0,2,0,0,0,0|0,1,1]=4 5263 B13R1.3 CC(=O)CCc1ccc(cc1)C#N 1458a_100000021948_200000210301 [0,2,0,0,0,0|2,0,0]=4 5264 B13R1.3 CC(=O)CCc1ccc(cc1)C#N 1458a_100000070787_100012161189 [0,2,0,0,0,0|2,0,0]=4 5265 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 34a_100000198047_200025704644 [0,2,0,0,0,0|2,0,0]=4 5266 B13R1.3 CC(=O)CCc1ccc(cc1)O[13CH3] 7a_100000198047_200025704644 [0,2,0,0,0,0|2,0,0]=4 5267 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_100000723691_200025704644 [0,2,0,0,0,0|2,0,0]=4 5268 B13R1.3 CC(=O)CCc1ccc(cc1)S[13CH3] 62a_200025704644_100000723691 [0,2,0,0,0,0|2,0,0]=4 5269 B13R1.3 CC(=O)COc1ccc(cc1)C#N 1458a_100000182482_200000210301 [0,2,0,0,0,0|1,0,0]=3 5270 B13R1.3 CC(=O)COc1ccc(cc1)CO 1458a_100000730898_200000210301 [0,2,0,0,0,0|1,0,0]=3 5271 B13R1.3 CC(O)COc1ccc(cc1)C#N 34a_100000210344_100011218427 [0,2,0,0,0,0|1,0,1]=4 5272 B13R1.3 CC(O)COc1ccc(cc1)C#N 7a_100000210344_100011218427 [0,2,0,0,0,0|1,0,1]=4 5273 B13R1.3 CC(O)COc1ccc(cc1)CN 34a_100000185549_100011218427 [0,2,0,0,0,0|1,0,1]=4 5274 B13R1.3 CC(O)COc1ccc(cc1)CO 34a_100000211755_100011218427 [0,2,0,0,0,0|1,0,1]=4 5275 B13R1.3 CCc1ccc(cc1)CCC(=O)C 1458a_100000195522_200000210301 [0,2,0,0,0,0|2,0,0]=4 5276 B13R1.3 CCc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000195522_200025704644 [0,2,0,0,0,0|2,0,0]=4 5277 B13R1.3 CCc1ccc(cc1)NCC(=O)N 2230a_100000211069_100000747473 [0,2,0,0,0,0|2,0,0]=4 5278 B13R1.3 CCc1ccc(cc1)NCC(=O)N 34a_100000211069_100000187820 [0,2,0,0,0,0|2,0,0]=4 5279 B13R1.3 CCc1ccc(cc1)NCC(=O)[O-] 34a_100000211069_100020667443 [0,2,0,0,0,0|1,0,1]=4 5280 B13R1.3 CCc1ccc(cc1)OCC(=O)C 1458a_100000182499_200000210301 [0,2,0,0,0,0|1,0,0]=3 5281 B13R1.3 CCc1ccc(cc1)OCC(=O)N 34a_100000211359_100000187820 [0,2,0,0,0,0|1,0,0]=3 5282 B13R1.3 CCc1ccc(cc1)OCC(=O)N 7a_100000211359_100000187820 [0,2,0,0,0,0|1,0,0]=3 5283 B13R1.3 CCc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000182499_200025704644 [0,2,0,0,0,0|1,0,0]=3 5284 B13R1.3 CCc1ccc(cc1)OCC(=O)[O-] 34a_100000211359_100020667443 [0,2,0,0,0,0|0,0,1]=3 5285 B13R1.3 CCc1ccc(cc1)OCC(C)O 34a_100000211359_100011218427 [0,2,0,0,0,0|1,0,1]=4 5286 B13R1.3 CCc1ccc(cc1)OCC(C)O 7a_100000211359_100011218427 [0,2,0,0,0,0|1,0,1]=4 5287 B13R1.3 CCc1ccc(cc1)OC[C@@H](C)O 34a_100000211359_100009817552 [0,2,0,0,0,0|1,0,1]=4 5288 B13R1.3 CCc1ccc(cc1)OC[C@@H](C)O 7a_100000211359_100009817552 [0,2,0,0,0,0|1,0,1]=4 5289 B13R1.3 CCc1ccc(cc1)OC[N+](=O)[O-] 34a_100000211359_100000761209 [0,2,0,0,0,0|1,0,1]=4 5290 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100000747473_100011215824 [0,2,0,0,0,0|1,1,0]=4 5291 B13R1.3 CCc1ccc(cc1)SCC(=O)N 62a_100011215824_100000747473 [0,2,0,0,0,0|1,1,0]=4 5292 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100011215824_100020667443 [0,2,0,0,0,0|0,1,1]=4 5293 B13R1.3 CCc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011215824 [0,2,0,0,0,0|0,1,1]=4 5294 B13R1.3 CNc1ccc(cc1)OCC(=O)N 2230a_100000238760_200000210301 [0,2,0,0,0,0|1,0,0]=3 5295 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000182112_100000187820 [0,2,0,0,0,0|1,0,0]=3 5296 B13R1.3 CNc1ccc(cc1)OCC(=O)N 34a_100000238760_200000210301 [0,2,0,0,0,0|1,0,0]=3 5297 B13R1.3 CNc1ccc(cc1)OCC(=O)[O-] 34a_100000182112_100020667443 [0,2,0,0,0,0|0,0,1]=3 5298 B13R1.3 CNc1ccc(cc1)OCC(C)O 34a_100000182112_100011218427 [0,2,0,0,0,0|1,0,1]=4 5299 B13R1.3 CNc1ccc(cc1)OC[C@@H](C)O 34a_100000182112_100009817552 [0,2,0,0,0,0|1,0,1]=4 5300 B13R1.3 CNc1ccc(cc1)OC[N+](=O)[O-] 34a_100000182112_100000761209 [0,2,0,0,0,0|1,0,1]=4 5301 B13R1.3 CNc1ccc(cc1)SCC(=O)N 62a_100000743151_100000747473 [0,2,0,0,0,0|1,1,0]=4 5302 B13R1.3 CNc1ccc(cc1)SCC(=O)N 62a_100000747473_100000743151 [0,2,0,0,0,0|1,1,0]=4 5303 B13R1.3 CNc1ccc(cc1)SCC(=O)[O-] 62a_100000743151_100020667443 [0,2,0,0,0,0|0,1,1]=4 5304 B13R1.3 CNc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000743151 [0,2,0,0,0,0|0,1,1]=4 5305 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000070787_100000184700 [0,2,0,0,0,0|2,0,0]=4 5306 B13R1.3 COc1ccc(cc1)CCC(=O)C 1458a_100000211712_200000210301 [0,2,0,0,0,0|2,0,0]=4 5307 B13R1.3 COc1ccc(cc1)CCC(=O)C 34a_100000198047_200000210301 [0,2,0,0,0,0|2,0,0]=4 5308 B13R1.3 COc1ccc(cc1)CCC(=O)C 7a_100000198047_200000210301 [0,2,0,0,0,0|2,0,0]=4 5309 B13R1.3 COc1ccc(cc1)CCC(=O)[13CH3] 1458a_100000211712_200025704644 [0,2,0,0,0,0|2,0,0]=4 5310 B13R1.3 COc1ccc(cc1)NCC(=O)N 34a_100000184247_100000187820 [0,2,0,0,0,0|2,0,0]=4 5311 B13R1.3 COc1ccc(cc1)NCC(=O)[O-] 34a_100000184247_100020667443 [0,2,0,0,0,0|1,0,1]=4 5312 B13R1.3 COc1ccc(cc1)OCC(=O)C 1458a_100000186439_200000210301 [0,2,0,0,0,0|1,0,0]=3 5313 B13R1.3 COc1ccc(cc1)OCC(=O)N 34a_100000210503_100000187820 [0,2,0,0,0,0|1,0,0]=3 5314 B13R1.3 COc1ccc(cc1)OCC(=O)[13CH3] 1458a_100000186439_200025704644 [0,2,0,0,0,0|1,0,0]=3 5315 B13R1.3 COc1ccc(cc1)OCC(=O)[O-] 34a_100000210503_100020667443 [0,2,0,0,0,0|0,0,1]=3 5316 B13R1.3 COc1ccc(cc1)OCC(C)O 34a_100000210503_100011218427 [0,2,0,0,0,0|1,0,1]=4 5317 B13R1.3 COc1ccc(cc1)OC[C@@H](C)O 34a_100000210503_100009817552 [0,2,0,0,0,0|1,0,1]=4 5318 B13R1.3 COc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210503_100000761209 [0,2,0,0,0,0|1,0,1]=4 5319 B13R1.3 COc1ccc(cc1)SCC(=O)C 1458a_100000182033_200000210301 [0,2,0,0,0,0|1,1,0]=4 5320 B13R1.3 COc1ccc(cc1)SCC(=O)N 62a_100000747473_100000171711 [0,2,0,0,0,0|1,1,0]=4 5321 B13R1.3 COc1ccc(cc1)SCC(=O)[13CH3] 1458a_100000182033_200025704644 [0,2,0,0,0,0|1,1,0]=4 5322 B13R1.3 COc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000171711 [0,2,0,0,0,0|0,1,1]=4 5323 B13R1.3 COc1ccc(cn1)OCC(=O)N 34a_100011934560_100000187820 [0,2,0,0,0,0|2,0,0]=4 5324 B13R1.3 COc1ccc(cn1)OCC(=O)[O-] 34a_100011934560_100020667443 [0,2,0,0,0,0|1,0,1]=4 5325 B13R1.3 COc1ccc(nc1)OCC(=O)N 34a_100012002028_100000187820 [0,2,0,0,0,0|2,0,0]=4 5326 B13R1.3 COc1ccc(nc1)OCC(=O)[O-] 34a_100012002028_100020667443 [0,2,0,0,0,0|1,0,1]=4 5327 B13R1.3 CSc1ccc(cc1)CCC(=O)C 1458a_100011252364_200000210301 [0,2,0,0,0,0|2,0,0]=4 5328 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_100000723691_200000210301 [0,2,0,0,0,0|2,0,0]=4 5329 B13R1.3 CSc1ccc(cc1)CCC(=O)C 62a_200000210301_100000723691 [0,2,0,0,0,0|2,0,0]=4 5330 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200000210301_200010110666 [0,2,0,0,0,0|2,0,0]=4 5331 B13R1.3 CSc1ccc(cc1)CCC(=O)N 62a_200010110666_200000210301 [0,2,0,0,0,0|2,0,0]=4 5332 B13R1.3 CSc1ccc(cc1)CCC(=O)[13CH3] 1458a_100011252364_200025704644 [0,2,0,0,0,0|2,0,0]=4 5333 B13R1.3 CSc1ccc(cc1)NCC(=O)N 34a_100000212337_100000187820 [0,2,0,0,0,0|2,0,0]=4 5334 B13R1.3 CSc1ccc(cc1)NCC(=O)[O-] 34a_100000212337_100020667443 [0,2,0,0,0,0|1,0,1]=4 5335 B13R1.3 CSc1ccc(cc1)OCC(=O)N 34a_100000211864_100000187820 [0,2,0,0,0,0|1,0,0]=3 5336 B13R1.3 CSc1ccc(cc1)OCC(=O)[O-] 34a_100000211864_100020667443 [0,2,0,0,0,0|0,0,1]=3 5337 B13R1.3 CSc1ccc(cc1)OCC(C)O 34a_100000211864_100011218427 [0,2,0,0,0,0|1,0,1]=4 5338 B13R1.3 CSc1ccc(cc1)OC[C@@H](C)O 34a_100000211864_100009817552 [0,2,0,0,0,0|1,0,1]=4 5339 B13R1.3 CSc1ccc(cc1)OC[N+](=O)[O-] 34a_100000211864_100000761209 [0,2,0,0,0,0|1,0,1]=4 5340 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100000149456_200000210301 [0,2,0,0,0,0|1,1,0]=4 5341 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100000747473_100011263217 [0,2,0,0,0,0|1,1,0]=4 5342 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_100011263217_100000747473 [0,2,0,0,0,0|1,1,0]=4 5343 B13R1.3 CSc1ccc(cc1)SCC(=O)N 62a_200000210301_100000149456 [0,2,0,0,0,0|1,1,0]=4 5344 B13R1.3 CSc1ccc(cc1)SCC(=O)[O-] 62a_100011263217_100020667443 [0,2,0,0,0,0|0,1,1]=4 5345 B13R1.3 CSc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100011263217 [0,2,0,0,0,0|0,1,1]=4 5346 B13R1.3 C[C@@H](O)COc1ccc(cc1)C#N 34a_100000210344_100009817552 [0,2,0,0,0,0|1,0,1]=4 5347 B13R1.3 C[C@@H](O)COc1ccc(cc1)C#N 7a_100000210344_100009817552 [0,2,0,0,0,0|1,0,1]=4 5348 B13R1.3 C[C@@H](O)COc1ccc(cc1)CN 34a_100000185549_100009817552 [0,2,0,0,0,0|1,0,1]=4 5349 B13R1.3 C[C@@H](O)COc1ccc(cc1)CO 34a_100000211755_100009817552 [0,2,0,0,0,0|1,0,1]=4 5350 B13R1.3 N#Cc1ccc(cc1)NCC(=O)N 34a_100000185469_100000187820 [0,2,0,0,0,0|2,0,0]=4 5351 B13R1.3 N#Cc1ccc(cc1)NCC(=O)[O-] 34a_100000185469_100020667443 [0,2,0,0,0,0|1,0,1]=4 5352 B13R1.3 N#Cc1ccc(cc1)OCC(=O)N 34a_100000210344_100000187820 [0,2,0,0,0,0|1,0,0]=3 5353 B13R1.3 N#Cc1ccc(cc1)OCC(=O)N 7a_100000210344_100000187820 [0,2,0,0,0,0|1,0,0]=3 5354 B13R1.3 N#Cc1ccc(cc1)OCC(=O)[O-] 34a_100000210344_100020667443 [0,2,0,0,0,0|0,0,1]=3 5355 B13R1.3 N#Cc1ccc(cc1)OC[N+](=O)[O-] 34a_100000210344_100000761209 [0,2,0,0,0,0|1,0,1]=4 5356 B13R1.3 N#Cc1ccc(cc1)SCC(=O)N 62a_100000747473_100000184291 [0,2,0,0,0,0|1,1,0]=4 5357 B13R1.3 N#Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000184291 [0,2,0,0,0,0|0,1,1]=4 5358 B13R1.3 N#Cc1ccc(cn1)OCC(=O)N 34a_100011934750_100000187820 [0,2,0,0,0,0|2,0,0]=4 5359 B13R1.3 N#Cc1ccc(cn1)OCC(=O)N 7a_100011934750_100000187820 [0,2,0,0,0,0|2,0,0]=4 5360 B13R1.3 N#Cc1ccc(cn1)OCC(=O)[O-] 34a_100011934750_100020667443 [0,2,0,0,0,0|1,0,1]=4 5361 B13R1.3 NC(=O)CNc1ccc(cc1)CO 2230a_100011215238_100000747473 [0,2,0,0,0,0|2,0,0]=4 5362 B13R1.3 NC(=O)CNc1ccc(cc1)CO 34a_100011215238_100000187820 [0,2,0,0,0,0|2,0,0]=4 5363 B13R1.3 NC(=O)COc1ccc(cc1)CO 34a_100000211755_100000187820 [0,2,0,0,0,0|1,0,0]=3 5364 B13R1.3 NC(=O)COc1ccc(nc1)CO 34a_103436540053_100000187820 [0,2,0,0,0,0|2,0,0]=4 5365 B13R1.3 NC(=O)CSc1ccc(cc1)C=O 62a_100000188517_100000747473 [0,2,0,0,0,0|1,1,0]=4 5366 B13R1.3 NC(=O)CSc1ccc(cc1)C=O 62a_100000747473_100000188517 [0,2,0,0,0,0|1,1,0]=4 5367 B13R1.3 NC(=O)CSc1ccc(cc1)CF 62a_100000747473_100010268989 [0,2,0,0,0,0|1,1,0]=4 5368 B13R1.3 NC(=O)CSc1ccc(cc1)CF 62a_100010268989_100000747473 [0,2,0,0,0,0|1,1,0]=4 5369 B13R1.3 NC(=O)CSc1ccc(cc1)CO 62a_100000690907_100000747473 [0,2,0,0,0,0|1,1,0]=4 5370 B13R1.3 NC(=O)CSc1ccc(cc1)CO 62a_100000747473_100000690907 [0,2,0,0,0,0|1,1,0]=4 5371 B13R1.3 NCc1ccc(cc1)OCC(=O)N 34a_100000185549_100000187820 [0,2,0,0,0,0|1,0,0]=3 5372 B13R1.3 NCc1ccc(cc1)OCC(=O)[O-] 34a_100000185549_100020667443 [0,2,0,0,0,0|0,0,1]=3 5373 B13R1.3 NCc1ccc(cc1)OC[N+](=O)[O-] 34a_100000185549_100000761209 [0,2,0,0,0,0|1,0,1]=4 5374 B13R1.3 NCc1ccc(cc1)SCC(=O)N 62a_100000747473_100016989417 [0,2,0,0,0,0|1,1,0]=4 5375 B13R1.3 NCc1ccc(cc1)SCC(=O)N 62a_100016989417_100000747473 [0,2,0,0,0,0|1,1,0]=4 5376 B13R1.3 NCc1ccc(cc1)SCC(=O)[O-] 62a_100016989417_100020667443 [0,2,0,0,0,0|0,1,1]=4 5377 B13R1.3 NCc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100016989417 [0,2,0,0,0,0|0,1,1]=4 5378 B13R1.3 NCc1ccc(cn1)OCC(=O)N 34a_100020605196_100000187820 [0,2,0,0,0,0|2,0,0]=4 5379 B13R1.3 NCc1ccc(cn1)OCC(=O)[O-] 34a_100020605196_100020667443 [0,2,0,0,0,0|1,0,1]=4 5380 B13R1.3 NCc1ccc(nc1)OCC(=O)N 34a_100000757128_100000187820 [0,2,0,0,0,0|2,0,0]=4 5381 B13R1.3 NCc1ccc(nc1)OCC(=O)[O-] 34a_100000757128_100020667443 [0,2,0,0,0,0|1,0,1]=4 5382 B13R1.3 NNc1ccc(cc1)SCC(=O)N 62a_100000747473_100016988836 [0,2,0,0,0,0|1,1,0]=4 5383 B13R1.3 NNc1ccc(cc1)SCC(=O)N 62a_100016988836_100000747473 [0,2,0,0,0,0|1,1,0]=4 5384 B13R1.3 NNc1ccc(cc1)SCC(=O)[O-] 62a_100016988836_100020667443 [0,2,0,0,0,0|0,1,1]=4 5385 B13R1.3 NNc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100016988836 [0,2,0,0,0,0|0,1,1]=4 5386 B13R1.3 O=C([O-])CNc1ccc(cc1)CO 34a_100011215238_100020667443 [0,2,0,0,0,0|1,0,1]=4 5387 B13R1.3 O=C([O-])COc1ccc(cc1)CO 34a_100000211755_100020667443 [0,2,0,0,0,0|0,0,1]=3 5388 B13R1.3 O=C([O-])COc1ccc(nc1)CO 34a_103436540053_100020667443 [0,2,0,0,0,0|1,0,1]=4 5389 B13R1.3 O=C([O-])CSc1ccc(cc1)CF 62a_100010268989_100020667443 [0,2,0,0,0,0|0,1,1]=4 5390 B13R1.3 O=C([O-])CSc1ccc(cc1)CF 62a_100020667443_100010268989 [0,2,0,0,0,0|0,1,1]=4 5391 B13R1.3 O=C([O-])CSc1ccc(cc1)CO 62a_100000690907_100020667443 [0,2,0,0,0,0|0,1,1]=4 5392 B13R1.3 O=C([O-])CSc1ccc(cc1)CO 62a_100020667443_100000690907 [0,2,0,0,0,0|0,1,1]=4 5393 B13R1.3 O=Cc1ccc(cc1)SCC(=O)[O-] 62a_100000188517_100020667443 [0,2,0,0,0,0|0,1,1]=4 5394 B13R1.3 O=Cc1ccc(cc1)SCC(=O)[O-] 62a_100020667443_100000188517 [0,2,0,0,0,0|0,1,1]=4 5395 B13R1.3 O=[N+]([O-])COc1ccc(cc1)CO 34a_100000211755_100000761209 [0,2,0,0,0,0|1,0,1]=4 5396 B13R1.3 [13CH3]C(=O)CCc1ccc(cc1)C#N 1458a_100000021948_200025704644 [0,2,0,0,0,0|2,0,0]=4 5397 B13R1.3 [13CH3]C(=O)COc1ccc(cc1)C#N 1458a_100000182482_200025704644 [0,2,0,0,0,0|1,0,0]=3 5398 B13R1.3 [13CH3]C(=O)COc1ccc(cc1)CO 1458a_100000730898_200025704644 [0,2,0,0,0,0|1,0,0]=3 5399 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 2230a_100000238760_200025704644 [0,2,0,0,0,0|1,0,0]=3 5400 B13R1.3 [13CH3]Nc1ccc(cc1)OCC(=O)N 34a_100000238760_200025704644 [0,2,0,0,0,0|1,0,0]=3 5401 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200010110666_200025704644 [0,2,0,0,0,0|2,0,0]=4 5402 B13R1.3 [13CH3]Sc1ccc(cc1)CCC(=O)N 62a_200025704644_200010110666 [0,2,0,0,0,0|2,0,0]=4 5403 B13R1.3 [13CH3]Sc1ccc(cc1)SCC(=O)N 62a_100000149456_200025704644 [0,2,0,0,0,0|1,1,0]=4 5404 B13R1.3 [13CH3]Sc1ccc(cc1)SCC(=O)N 62a_200025704644_100000149456 [0,2,0,0,0,0|1,1,0]=4 5405 B13R1.14 C#CC(=O)CCc1ccc(cc1)Br 1458a_100000211873_100011740612 [0,2,0,0,0,0|2,0,0]=4 5406 B13R1.14 C#CC(=O)CCc1ccc(cc1)C 1458a_100000211873_100011713686 [0,2,0,0,0,0|2,0,0]=4 5407 B13R1.14 C#CC(=O)CCc1ccc(cc1)Cl 1458a_100000211873_100011713675 [0,2,0,0,0,0|2,0,0]=4 5408 B13R1.14 C#CC(=O)CCc1ccc(cc1)F 1458a_100000211873_100011217392 [0,2,0,0,0,0|2,0,0]=4 5409 B13R1.14 C#CC(=O)CCc1ccc(cc1)O 1458a_100000211873_100009816426 [0,2,0,0,0,0|2,0,0]=4 5410 B13R1.14 C=C(C#N)COc1ccc(cc1)Br 34a_100000185759_100000694840 [0,2,0,0,0,0|2,0,0]=4 5411 B13R1.14 C=C(C#N)COc1ccc(cc1)C 34a_100000210336_100000694840 [0,2,0,0,0,0|2,0,0]=4 5412 B13R1.14 C=C(C#N)COc1ccc(cc1)Cl 34a_100000210216_100000694840 [0,2,0,0,0,0|2,0,0]=4 5413 B13R1.14 C=C(C#N)COc1ccc(cc1)F 34a_100000210339_100000694840 [0,2,0,0,0,0|2,0,0]=4 5414 B13R1.14 C=C(C#N)COc1ccc(cc1)I 34a_100000212066_100000694840 [0,2,0,0,0,0|2,0,0]=4 5415 B13R1.14 C=C(C#N)COc1ccc(cc1)N 34a_100000185829_100000694840 [0,2,0,0,0,0|2,0,0]=4 5416 B13R1.14 C=CC(=O)CCc1ccc(cc1)Br 1458a_100000185746_100011740612 [0,2,0,0,0,0|2,0,0]=4 5417 B13R1.14 C=CC(=O)CCc1ccc(cc1)C 1458a_100000185746_100011713686 [0,2,0,0,0,0|2,0,0]=4 5418 B13R1.14 C=CC(=O)CCc1ccc(cc1)Cl 1458a_100000185746_100011713675 [0,2,0,0,0,0|2,0,0]=4 5419 B13R1.14 C=CC(=O)CCc1ccc(cc1)F 1458a_100000185746_100011217392 [0,2,0,0,0,0|2,0,0]=4 5420 B13R1.14 C=CC(=O)CCc1ccc(cc1)O 1458a_100000185746_100009816426 [0,2,0,0,0,0|2,0,0]=4 5421 B13R1.14 C=CC(O)COc1ccc(cc1)Br 34a_100000185759_100000730141 [0,2,0,0,0,0|1,0,1]=4 5422 B13R1.14 C=CC(O)COc1ccc(cc1)Br 7a_100000185759_100000730141 [0,2,0,0,0,0|1,0,1]=4 5423 B13R1.14 C=CC(O)COc1ccc(cc1)C 34a_100000210336_100000730141 [0,2,0,0,0,0|1,0,1]=4 5424 B13R1.14 C=CC(O)COc1ccc(cc1)C 7a_100000210336_100000730141 [0,2,0,0,0,0|1,0,1]=4 5425 B13R1.14 C=CC(O)COc1ccc(cc1)Cl 34a_100000210216_100000730141 [0,2,0,0,0,0|1,0,1]=4 5426 B13R1.14 C=CC(O)COc1ccc(cc1)Cl 7a_100000210216_100000730141 [0,2,0,0,0,0|1,0,1]=4 5427 B13R1.14 C=CC(O)COc1ccc(cc1)F 34a_100000210339_100000730141 [0,2,0,0,0,0|1,0,1]=4 5428 B13R1.14 C=CC(O)COc1ccc(cc1)I 34a_100000212066_100000730141 [0,2,0,0,0,0|1,0,1]=4 5429 B13R1.14 C=CC(O)COc1ccc(cc1)I 7a_100000212066_100000730141 [0,2,0,0,0,0|1,0,1]=4 5430 B13R1.14 C=CC(O)COc1ccc(cc1)N 34a_100000185829_100000730141 [0,2,0,0,0,0|1,0,1]=4 5431 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000210414_100011740612 [0,2,0,0,0,0|2,0,0]=4 5432 B13R1.14 CCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210202 [0,2,0,0,0,0|2,0,0]=4 5433 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000210414_100011713686 [0,2,0,0,0,0|2,0,0]=4 5434 B13R1.14 CCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210202 [0,2,0,0,0,0|2,0,0]=4 5435 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000210414_100011713675 [0,2,0,0,0,0|2,0,0]=4 5436 B13R1.14 CCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210202 [0,2,0,0,0,0|2,0,0]=4 5437 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210202 [0,2,0,0,0,0|2,0,0]=4 5438 B13R1.14 CCC(=O)CCc1ccc(cc1)F 1458a_100000210414_100011217392 [0,2,0,0,0,0|2,0,0]=4 5439 B13R1.14 CCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210202 [0,2,0,0,0,0|2,0,0]=4 5440 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000210414_100009816426 [0,2,0,0,0,0|2,0,0]=4 5441 B13R1.14 CCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210202 [0,2,0,0,0,0|2,0,0]=4 5442 B13R1.14 CCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210202 [0,2,0,0,0,0|1,0,0]=3 5443 B13R1.14 CCC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747405 [0,2,0,0,0,0|1,0,0]=3 5444 B13R1.14 CCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000210202 [0,2,0,0,0,0|1,0,0]=3 5445 B13R1.14 CCC(=O)COc1ccc(cc1)C 7a_100000210336_100000747405 [0,2,0,0,0,0|1,0,0]=3 5446 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210202 [0,2,0,0,0,0|1,0,0]=3 5447 B13R1.14 CCC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747405 [0,2,0,0,0,0|1,0,0]=3 5448 B13R1.14 CCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210202 [0,2,0,0,0,0|1,0,0]=3 5449 B13R1.14 CCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210202 [0,2,0,0,0,0|1,0,0]=3 5450 B13R1.14 CCC(=O)COc1ccc(cc1)I 7a_100000212066_100000747405 [0,2,0,0,0,0|1,0,0]=3 5451 B13R1.14 CCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210202 [0,2,0,0,0,0|1,0,0]=3 5452 B13R1.14 CCC(=O)COc1ccc(nc1)Br 7a_100000685995_100000747405 [0,2,0,0,0,0|2,0,0]=4 5453 B13R1.14 CCC(=O)COc1ccc(nc1)C 7a_100000745506_100000747405 [0,2,0,0,0,0|2,0,0]=4 5454 B13R1.14 CCC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000747405 [0,2,0,0,0,0|2,0,0]=4 5455 B13R1.14 CCC(=O)COc1ccc(nc1)F 7a_100000688820_100000747405 [0,2,0,0,0,0|2,0,0]=4 5456 B13R1.14 CCC(=O)COc1ccc(nc1)I 7a_100000687607_100000747405 [0,2,0,0,0,0|2,0,0]=4 5457 B13R1.14 CCC(=O)COc1ccc(nc1)N 7a_100015188713_100000747405 [0,2,0,0,0,0|2,0,0]=4 5458 B13R1.14 CCC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100000210202 [0,2,0,0,0,0|1,1,0]=4 5459 B13R1.14 CCC(=O)CSc1ccc(cc1)Br 62a_100000747405_100000752885 [0,2,0,0,0,0|1,1,0]=4 5460 B13R1.14 CCC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747405 [0,2,0,0,0,0|1,1,0]=4 5461 B13R1.14 CCC(=O)CSc1ccc(cc1)C 1458a_100000179497_100000210202 [0,2,0,0,0,0|1,1,0]=4 5462 B13R1.14 CCC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747405 [0,2,0,0,0,0|1,1,0]=4 5463 B13R1.14 CCC(=O)CSc1ccc(cc1)C 62a_100000747405_100000186775 [0,2,0,0,0,0|1,1,0]=4 5464 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000210202 [0,2,0,0,0,0|1,1,0]=4 5465 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 62a_100000747405_100000755918 [0,2,0,0,0,0|1,1,0]=4 5466 B13R1.14 CCC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747405 [0,2,0,0,0,0|1,1,0]=4 5467 B13R1.14 CCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100000210202 [0,2,0,0,0,0|1,1,0]=4 5468 B13R1.14 CCC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747405 [0,2,0,0,0,0|1,1,0]=4 5469 B13R1.14 CCC(=O)CSc1ccc(cc1)F 62a_100000747405_100000211213 [0,2,0,0,0,0|1,1,0]=4 5470 B13R1.14 CCC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747405 [0,2,0,0,0,0|1,1,0]=4 5471 B13R1.14 CCC(=O)CSc1ccc(cc1)N 62a_100000747405_100000185761 [0,2,0,0,0,0|1,1,0]=4 5472 B13R1.14 CCC(=O)CSc1ccc(cc1)O 62a_100000747405_100000185759 [0,2,0,0,0,0|1,1,0]=4 5473 B13R1.14 CCC(O)COc1ccc(cc1)Br 34a_100000185759_100011218378 [0,2,0,0,0,0|1,0,1]=4 5474 B13R1.14 CCC(O)COc1ccc(cc1)Br 7a_100000185759_100011218378 [0,2,0,0,0,0|1,0,1]=4 5475 B13R1.14 CCC(O)COc1ccc(cc1)C 34a_100000210336_100011218378 [0,2,0,0,0,0|1,0,1]=4 5476 B13R1.14 CCC(O)COc1ccc(cc1)C 7a_100000210336_100011218378 [0,2,0,0,0,0|1,0,1]=4 5477 B13R1.14 CCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218378 [0,2,0,0,0,0|1,0,1]=4 5478 B13R1.14 CCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218378 [0,2,0,0,0,0|1,0,1]=4 5479 B13R1.14 CCC(O)COc1ccc(cc1)F 34a_100000210339_100011218378 [0,2,0,0,0,0|1,0,1]=4 5480 B13R1.14 CCC(O)COc1ccc(cc1)I 34a_100000212066_100011218378 [0,2,0,0,0,0|1,0,1]=4 5481 B13R1.14 CCC(O)COc1ccc(cc1)I 7a_100000212066_100011218378 [0,2,0,0,0,0|1,0,1]=4 5482 B13R1.14 CCC(O)COc1ccc(cc1)N 34a_100000185829_100011218378 [0,2,0,0,0,0|1,0,1]=4 5483 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 11a_106832991635_100000217147 [0,2,0,0,0,0|2,0,0]=4 5484 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 1626a_100102657272_100000217147 [0,2,0,0,0,0|2,0,0]=4 5485 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 240690a_100102657272_100000217147 [0,2,0,0,0,0|2,0,0]=4 5486 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 527a_100102657272_100000217147 [0,2,0,0,0,0|2,0,0]=4 5487 B13R1.14 CNC(=O)CCc1ccc(cc1)C 11a_106832991635_100000234883 [0,2,0,0,0,0|2,0,0]=4 5488 B13R1.14 CNC(=O)CCc1ccc(cc1)C 1626a_100102657272_100000234883 [0,2,0,0,0,0|2,0,0]=4 5489 B13R1.14 CNC(=O)CCc1ccc(cc1)C 240690a_100102657272_100000234883 [0,2,0,0,0,0|2,0,0]=4 5490 B13R1.14 CNC(=O)CCc1ccc(cc1)C 527a_100102657272_100000234883 [0,2,0,0,0,0|2,0,0]=4 5491 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 11a_106832991635_100000235379 [0,2,0,0,0,0|2,0,0]=4 5492 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 1626a_100102657272_100000235379 [0,2,0,0,0,0|2,0,0]=4 5493 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 240690a_100102657272_100000235379 [0,2,0,0,0,0|2,0,0]=4 5494 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 527a_100102657272_100000235379 [0,2,0,0,0,0|2,0,0]=4 5495 B13R1.14 CNC(=O)CCc1ccc(cc1)F 11a_106832991635_100000198493 [0,2,0,0,0,0|2,0,0]=4 5496 B13R1.14 CNC(=O)CCc1ccc(cc1)F 1626a_100102657272_100000198493 [0,2,0,0,0,0|2,0,0]=4 5497 B13R1.14 CNC(=O)CCc1ccc(cc1)F 240690a_100102657272_100000198493 [0,2,0,0,0,0|2,0,0]=4 5498 B13R1.14 CNC(=O)CCc1ccc(cc1)F 527a_100102657272_100000198493 [0,2,0,0,0,0|2,0,0]=4 5499 B13R1.14 CNC(=O)CCc1ccc(cc1)I 11a_106832991635_100011217499 [0,2,0,0,0,0|2,0,0]=4 5500 B13R1.14 CNC(=O)CCc1ccc(cc1)I 1626a_100102657272_100011217499 [0,2,0,0,0,0|2,0,0]=4 5501 B13R1.14 CNC(=O)CCc1ccc(cc1)I 240690a_100102657272_100011217499 [0,2,0,0,0,0|2,0,0]=4 5502 B13R1.14 CNC(=O)CCc1ccc(cc1)I 527a_100102657272_100011217499 [0,2,0,0,0,0|2,0,0]=4 5503 B13R1.14 CNC(=O)CCc1ccc(cc1)O 240690a_100102657272_100000742835 [0,2,0,0,0,0|2,0,0]=4 5504 B13R1.14 CNC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010273138 [0,2,0,0,0,0|2,0,0]=4 5505 B13R1.14 CNC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000183359 [0,2,0,0,0,0|2,0,0]=4 5506 B13R1.14 CNC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000183359 [0,2,0,0,0,0|2,0,0]=4 5507 B13R1.14 CNC(=O)CNc1ccc(cc1)C 34a_100000124888_100000183359 [0,2,0,0,0,0|2,0,0]=4 5508 B13R1.14 CNC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000183359 [0,2,0,0,0,0|2,0,0]=4 5509 B13R1.14 CNC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000183359 [0,2,0,0,0,0|2,0,0]=4 5510 B13R1.14 CNC(=O)CNc1ccc(cc1)F 34a_100000185862_100000183359 [0,2,0,0,0,0|2,0,0]=4 5511 B13R1.14 CNC(=O)CNc1ccc(cc1)I 34a_100000185761_100000183359 [0,2,0,0,0,0|2,0,0]=4 5512 B13R1.14 CNC(=O)CNc1ccc(cc1)O 34a_100000185829_100000183359 [0,2,0,0,0,0|2,0,0]=4 5513 B13R1.14 CNC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000183359 [0,2,0,0,0,0|2,0,0]=4 5514 B13R1.14 CNC(=O)COc1ccc(cc1)Br 11a_106832991635_100000182358 [0,2,0,0,0,0|1,0,0]=3 5515 B13R1.14 CNC(=O)COc1ccc(cc1)Br 1626a_100102657272_100000182358 [0,2,0,0,0,0|1,0,0]=3 5516 B13R1.14 CNC(=O)COc1ccc(cc1)Br 240690a_100102657272_100000182358 [0,2,0,0,0,0|1,0,0]=3 5517 B13R1.14 CNC(=O)COc1ccc(cc1)Br 34a_100000185759_100000183359 [0,2,0,0,0,0|1,0,0]=3 5518 B13R1.14 CNC(=O)COc1ccc(cc1)Br 527a_100102657272_100000182358 [0,2,0,0,0,0|1,0,0]=3 5519 B13R1.14 CNC(=O)COc1ccc(cc1)Br 7a_100000185759_100000183359 [0,2,0,0,0,0|1,0,0]=3 5520 B13R1.14 CNC(=O)COc1ccc(cc1)C 11a_106832991635_100000182360 [0,2,0,0,0,0|1,0,0]=3 5521 B13R1.14 CNC(=O)COc1ccc(cc1)C 1626a_100102657272_100000182360 [0,2,0,0,0,0|1,0,0]=3 5522 B13R1.14 CNC(=O)COc1ccc(cc1)C 240690a_100102657272_100000182360 [0,2,0,0,0,0|1,0,0]=3 5523 B13R1.14 CNC(=O)COc1ccc(cc1)C 34a_100000210336_100000183359 [0,2,0,0,0,0|1,0,0]=3 5524 B13R1.14 CNC(=O)COc1ccc(cc1)C 527a_100102657272_100000182360 [0,2,0,0,0,0|1,0,0]=3 5525 B13R1.14 CNC(=O)COc1ccc(cc1)C 7a_100000210336_100000183359 [0,2,0,0,0,0|1,0,0]=3 5526 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 11a_106832991635_100016990877 [0,2,0,0,0,0|1,0,0]=3 5527 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 1626a_100102657272_100016990877 [0,2,0,0,0,0|1,0,0]=3 5528 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 240690a_100102657272_100016990877 [0,2,0,0,0,0|1,0,0]=3 5529 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183359 [0,2,0,0,0,0|1,0,0]=3 5530 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 527a_100102657272_100016990877 [0,2,0,0,0,0|1,0,0]=3 5531 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183359 [0,2,0,0,0,0|1,0,0]=3 5532 B13R1.14 CNC(=O)COc1ccc(cc1)F 11a_106832991635_100000184765 [0,2,0,0,0,0|1,0,0]=3 5533 B13R1.14 CNC(=O)COc1ccc(cc1)F 1626a_100102657272_100000184765 [0,2,0,0,0,0|1,0,0]=3 5534 B13R1.14 CNC(=O)COc1ccc(cc1)F 240690a_100102657272_100000184765 [0,2,0,0,0,0|1,0,0]=3 5535 B13R1.14 CNC(=O)COc1ccc(cc1)F 34a_100000210339_100000183359 [0,2,0,0,0,0|1,0,0]=3 5536 B13R1.14 CNC(=O)COc1ccc(cc1)F 527a_100102657272_100000184765 [0,2,0,0,0,0|1,0,0]=3 5537 B13R1.14 CNC(=O)COc1ccc(cc1)I 11a_106832991635_100000184369 [0,2,0,0,0,0|1,0,0]=3 5538 B13R1.14 CNC(=O)COc1ccc(cc1)I 1626a_100102657272_100000184369 [0,2,0,0,0,0|1,0,0]=3 5539 B13R1.14 CNC(=O)COc1ccc(cc1)I 240690a_100102657272_100000184369 [0,2,0,0,0,0|1,0,0]=3 5540 B13R1.14 CNC(=O)COc1ccc(cc1)I 34a_100000212066_100000183359 [0,2,0,0,0,0|1,0,0]=3 5541 B13R1.14 CNC(=O)COc1ccc(cc1)I 527a_100102657272_100000184369 [0,2,0,0,0,0|1,0,0]=3 5542 B13R1.14 CNC(=O)COc1ccc(cc1)I 7a_100000212066_100000183359 [0,2,0,0,0,0|1,0,0]=3 5543 B13R1.14 CNC(=O)COc1ccc(cc1)N 34a_100000185829_100000183359 [0,2,0,0,0,0|1,0,0]=3 5544 B13R1.14 CNC(=O)COc1ccc(cc1)O 240690a_100102657272_100000031633 [0,2,0,0,0,0|1,0,0]=3 5545 B13R1.14 CNC(=O)COc1ccc(cc1)O 271570a_203496583355_200000150405 [0,2,0,0,0,0|1,0,0]=3 5546 B13R1.14 CNC(=O)COc1ccc(cc1)O 527a_100102657272_100000031633 [0,2,0,0,0,0|1,0,0]=3 5547 B13R1.14 CNC(=O)COc1ccc(cn1)C 34a_100000759353_100000183359 [0,2,0,0,0,0|2,0,0]=4 5548 B13R1.14 CNC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000183359 [0,2,0,0,0,0|2,0,0]=4 5549 B13R1.14 CNC(=O)COc1ccc(cn1)F 34a_100000742473_100000183359 [0,2,0,0,0,0|2,0,0]=4 5550 B13R1.14 CNC(=O)COc1ccc(cn1)N 34a_100000729260_100000183359 [0,2,0,0,0,0|2,0,0]=4 5551 B13R1.14 CNC(=O)COc1ccc(nc1)Br 34a_100000685995_100000183359 [0,2,0,0,0,0|2,0,0]=4 5552 B13R1.14 CNC(=O)COc1ccc(nc1)Br 7a_100000685995_100000183359 [0,2,0,0,0,0|2,0,0]=4 5553 B13R1.14 CNC(=O)COc1ccc(nc1)C 34a_100000745506_100000183359 [0,2,0,0,0,0|2,0,0]=4 5554 B13R1.14 CNC(=O)COc1ccc(nc1)C 7a_100000745506_100000183359 [0,2,0,0,0,0|2,0,0]=4 5555 B13R1.14 CNC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000183359 [0,2,0,0,0,0|2,0,0]=4 5556 B13R1.14 CNC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000183359 [0,2,0,0,0,0|2,0,0]=4 5557 B13R1.14 CNC(=O)COc1ccc(nc1)F 34a_100000688820_100000183359 [0,2,0,0,0,0|2,0,0]=4 5558 B13R1.14 CNC(=O)COc1ccc(nc1)F 7a_100000688820_100000183359 [0,2,0,0,0,0|2,0,0]=4 5559 B13R1.14 CNC(=O)COc1ccc(nc1)I 34a_100000687607_100000183359 [0,2,0,0,0,0|2,0,0]=4 5560 B13R1.14 CNC(=O)COc1ccc(nc1)I 7a_100000687607_100000183359 [0,2,0,0,0,0|2,0,0]=4 5561 B13R1.14 CNC(=O)COc1ccc(nc1)N 34a_100015188713_100000183359 [0,2,0,0,0,0|2,0,0]=4 5562 B13R1.14 CNC(=O)COc1ccc(nc1)N 7a_100015188713_100000183359 [0,2,0,0,0,0|2,0,0]=4 5563 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 11a_106832991635_100000179496 [0,2,0,0,0,0|1,1,0]=4 5564 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 1626a_100102657272_100000179496 [0,2,0,0,0,0|1,1,0]=4 5565 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 240690a_100102657272_100000179496 [0,2,0,0,0,0|1,1,0]=4 5566 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 527a_100102657272_100000179496 [0,2,0,0,0,0|1,1,0]=4 5567 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 62a_100000183359_100000752885 [0,2,0,0,0,0|1,1,0]=4 5568 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000183359 [0,2,0,0,0,0|1,1,0]=4 5569 B13R1.14 CNC(=O)CSc1ccc(cc1)C 11a_106832991635_100000179497 [0,2,0,0,0,0|1,1,0]=4 5570 B13R1.14 CNC(=O)CSc1ccc(cc1)C 1626a_100102657272_100000179497 [0,2,0,0,0,0|1,1,0]=4 5571 B13R1.14 CNC(=O)CSc1ccc(cc1)C 240690a_100102657272_100000179497 [0,2,0,0,0,0|1,1,0]=4 5572 B13R1.14 CNC(=O)CSc1ccc(cc1)C 527a_100102657272_100000179497 [0,2,0,0,0,0|1,1,0]=4 5573 B13R1.14 CNC(=O)CSc1ccc(cc1)C 62a_100000183359_100000186775 [0,2,0,0,0,0|1,1,0]=4 5574 B13R1.14 CNC(=O)CSc1ccc(cc1)C 62a_100000186775_100000183359 [0,2,0,0,0,0|1,1,0]=4 5575 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 11a_106832991635_100000178402 [0,2,0,0,0,0|1,1,0]=4 5576 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 1626a_100102657272_100000178402 [0,2,0,0,0,0|1,1,0]=4 5577 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 240690a_100102657272_100000178402 [0,2,0,0,0,0|1,1,0]=4 5578 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 527a_100102657272_100000178402 [0,2,0,0,0,0|1,1,0]=4 5579 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 62a_100000183359_100000755918 [0,2,0,0,0,0|1,1,0]=4 5580 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000183359 [0,2,0,0,0,0|1,1,0]=4 5581 B13R1.14 CNC(=O)CSc1ccc(cc1)F 11a_106832991635_100000691584 [0,2,0,0,0,0|1,1,0]=4 5582 B13R1.14 CNC(=O)CSc1ccc(cc1)F 1626a_100102657272_100000691584 [0,2,0,0,0,0|1,1,0]=4 5583 B13R1.14 CNC(=O)CSc1ccc(cc1)F 240690a_100102657272_100000691584 [0,2,0,0,0,0|1,1,0]=4 5584 B13R1.14 CNC(=O)CSc1ccc(cc1)F 527a_100102657272_100000691584 [0,2,0,0,0,0|1,1,0]=4 5585 B13R1.14 CNC(=O)CSc1ccc(cc1)F 62a_100000183359_100000211213 [0,2,0,0,0,0|1,1,0]=4 5586 B13R1.14 CNC(=O)CSc1ccc(cc1)F 62a_100000211213_100000183359 [0,2,0,0,0,0|1,1,0]=4 5587 B13R1.14 CNC(=O)CSc1ccc(cc1)N 62a_100000183359_100000185761 [0,2,0,0,0,0|1,1,0]=4 5588 B13R1.14 CNC(=O)CSc1ccc(cc1)N 62a_100000185761_100000183359 [0,2,0,0,0,0|1,1,0]=4 5589 B13R1.14 CNC(=O)CSc1ccc(cc1)O 62a_100000183359_100000185759 [0,2,0,0,0,0|1,1,0]=4 5590 B13R1.14 COC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100000148628 [0,2,0,0,0,0|1,0,1]=4 5591 B13R1.14 COC(=O)C#Cc1ccc(cc1)O 271570a_203496583355_100012100070 [0,2,0,0,0,0|1,0,1]=4 5592 B13R1.14 COC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012357364 [0,2,0,0,0,0|1,0,0]=3 5593 B13R1.14 COC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747449 [0,2,0,0,0,0|1,0,0]=3 5594 B13R1.14 COC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000747449 [0,2,0,0,0,0|1,0,0]=3 5595 B13R1.14 COC(=O)CNc1ccc(cc1)C 34a_100000124888_100000747449 [0,2,0,0,0,0|1,0,0]=3 5596 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747449 [0,2,0,0,0,0|1,0,0]=3 5597 B13R1.14 COC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000747449 [0,2,0,0,0,0|1,0,0]=3 5598 B13R1.14 COC(=O)CNc1ccc(cc1)F 34a_100000185862_100000747449 [0,2,0,0,0,0|1,0,0]=3 5599 B13R1.14 COC(=O)CNc1ccc(cc1)I 34a_100000185761_100000747449 [0,2,0,0,0,0|1,0,0]=3 5600 B13R1.14 COC(=O)CNc1ccc(cc1)O 34a_100000185829_100000747449 [0,2,0,0,0,0|1,0,0]=3 5601 B13R1.14 COC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000747449 [0,2,0,0,0,0|1,0,0]=3 5602 B13R1.14 COC(=O)COc1ccc(cc1)Br 34a_100000185759_100000747449 [0,2,0,0,0,0|0,0,0]=2 5603 B13R1.14 COC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747449 [0,2,0,0,0,0|0,0,0]=2 5604 B13R1.14 COC(=O)COc1ccc(cc1)C 34a_100000210336_100000747449 [0,2,0,0,0,0|0,0,0]=2 5605 B13R1.14 COC(=O)COc1ccc(cc1)C 7a_100000210336_100000747449 [0,2,0,0,0,0|0,0,0]=2 5606 B13R1.14 COC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000747449 [0,2,0,0,0,0|0,0,0]=2 5607 B13R1.14 COC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747449 [0,2,0,0,0,0|0,0,0]=2 5608 B13R1.14 COC(=O)COc1ccc(cc1)F 34a_100000210339_100000747449 [0,2,0,0,0,0|0,0,0]=2 5609 B13R1.14 COC(=O)COc1ccc(cc1)I 34a_100000212066_100000747449 [0,2,0,0,0,0|0,0,0]=2 5610 B13R1.14 COC(=O)COc1ccc(cc1)I 7a_100000212066_100000747449 [0,2,0,0,0,0|0,0,0]=2 5611 B13R1.14 COC(=O)COc1ccc(cc1)N 34a_100000185829_100000747449 [0,2,0,0,0,0|0,0,0]=2 5612 B13R1.14 COC(=O)COc1ccc(cc1)O 271570a_203496583355_100000149925 [0,2,0,0,0,0|0,0,0]=2 5613 B13R1.14 COC(=O)COc1ccc(cn1)C 34a_100000759353_100000747449 [0,2,0,0,0,0|1,0,0]=3 5614 B13R1.14 COC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000747449 [0,2,0,0,0,0|1,0,0]=3 5615 B13R1.14 COC(=O)COc1ccc(cn1)F 34a_100000742473_100000747449 [0,2,0,0,0,0|1,0,0]=3 5616 B13R1.14 COC(=O)COc1ccc(cn1)N 34a_100000729260_100000747449 [0,2,0,0,0,0|1,0,0]=3 5617 B13R1.14 COC(=O)COc1ccc(nc1)Br 34a_100000685995_100000747449 [0,2,0,0,0,0|1,0,0]=3 5618 B13R1.14 COC(=O)COc1ccc(nc1)Br 7a_100000685995_100000747449 [0,2,0,0,0,0|1,0,0]=3 5619 B13R1.14 COC(=O)COc1ccc(nc1)C 34a_100000745506_100000747449 [0,2,0,0,0,0|1,0,0]=3 5620 B13R1.14 COC(=O)COc1ccc(nc1)C 7a_100000745506_100000747449 [0,2,0,0,0,0|1,0,0]=3 5621 B13R1.14 COC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000747449 [0,2,0,0,0,0|1,0,0]=3 5622 B13R1.14 COC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000747449 [0,2,0,0,0,0|1,0,0]=3 5623 B13R1.14 COC(=O)COc1ccc(nc1)F 34a_100000688820_100000747449 [0,2,0,0,0,0|1,0,0]=3 5624 B13R1.14 COC(=O)COc1ccc(nc1)F 7a_100000688820_100000747449 [0,2,0,0,0,0|1,0,0]=3 5625 B13R1.14 COC(=O)COc1ccc(nc1)I 34a_100000687607_100000747449 [0,2,0,0,0,0|1,0,0]=3 5626 B13R1.14 COC(=O)COc1ccc(nc1)I 7a_100000687607_100000747449 [0,2,0,0,0,0|1,0,0]=3 5627 B13R1.14 COC(=O)COc1ccc(nc1)N 34a_100015188713_100000747449 [0,2,0,0,0,0|1,0,0]=3 5628 B13R1.14 COC(=O)COc1ccc(nc1)N 7a_100015188713_100000747449 [0,2,0,0,0,0|1,0,0]=3 5629 B13R1.14 COC(=O)COc1ccc(nc1)O 271570a_203496583355_100010870986 [0,2,0,0,0,0|1,0,0]=3 5630 B13R1.14 COC(=O)COc1cnc(cn1)Br 34a_100011934580_100000747449 [0,2,0,0,0,0|2,0,0]=4 5631 B13R1.14 COC(=O)COc1cnc(cn1)Cl 34a_100015839800_100000747449 [0,2,0,0,0,0|2,0,0]=4 5632 B13R1.14 COC(=O)COc1cnc(nc1)Br 34a_100000730009_100000747449 [0,2,0,0,0,0|2,0,0]=4 5633 B13R1.14 COC(=O)COc1cnc(nc1)Br 7a_100000730009_100000747449 [0,2,0,0,0,0|2,0,0]=4 5634 B13R1.14 COC(=O)COc1cnc(nc1)C 34a_100000062939_100000747449 [0,2,0,0,0,0|2,0,0]=4 5635 B13R1.14 COC(=O)COc1cnc(nc1)C 7a_100000062939_100000747449 [0,2,0,0,0,0|2,0,0]=4 5636 B13R1.14 COC(=O)COc1cnc(nc1)Cl 34a_100000092845_100000747449 [0,2,0,0,0,0|2,0,0]=4 5637 B13R1.14 COC(=O)COc1cnc(nc1)Cl 7a_100000092845_100000747449 [0,2,0,0,0,0|2,0,0]=4 5638 B13R1.14 COC(=O)COc1cnc(nc1)F 34a_200009874573_100000747449 [0,2,0,0,0,0|2,0,0]=4 5639 B13R1.14 COC(=O)COc1cnc(nc1)F 7a_200009874573_100000747449 [0,2,0,0,0,0|2,0,0]=4 5640 B13R1.14 COC(=O)COc1cnc(nc1)N 34a_100000087137_100000747449 [0,2,0,0,0,0|2,0,0]=4 5641 B13R1.14 COC(=O)COc1cnc(nc1)N 7a_100000087137_100000747449 [0,2,0,0,0,0|2,0,0]=4 5642 B13R1.14 COC(=O)COc1ncc(cn1)F 34a_100011934040_100000747449 [0,2,0,0,0,0|2,0,0]=4 5643 B13R1.14 COC(=O)CSc1cc[n+](cc1)[O-] 62a_100000747449_100000039755 [0,2,0,0,0,0|1,1,0]=4 5644 B13R1.14 COC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000747449 [0,2,0,0,0,0|1,1,0]=4 5645 B13R1.14 COC(=O)CSc1ccc(=O)[nH]c1 62a_100000747449_100000212171 [0,2,0,0,0,0|1,1,0]=4 5646 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000747449_100000752885 [0,2,0,0,0,0|0,1,0]=3 5647 B13R1.14 COC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747449 [0,2,0,0,0,0|0,1,0]=3 5648 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747449 [0,2,0,0,0,0|0,1,0]=3 5649 B13R1.14 COC(=O)CSc1ccc(cc1)C 62a_100000747449_100000186775 [0,2,0,0,0,0|0,1,0]=3 5650 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000747449_100000755918 [0,2,0,0,0,0|0,1,0]=3 5651 B13R1.14 COC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747449 [0,2,0,0,0,0|0,1,0]=3 5652 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747449 [0,2,0,0,0,0|0,1,0]=3 5653 B13R1.14 COC(=O)CSc1ccc(cc1)F 62a_100000747449_100000211213 [0,2,0,0,0,0|0,1,0]=3 5654 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747449 [0,2,0,0,0,0|0,1,0]=3 5655 B13R1.14 COC(=O)CSc1ccc(cc1)N 62a_100000747449_100000185761 [0,2,0,0,0,0|0,1,0]=3 5656 B13R1.14 COC(=O)CSc1ccc(cc1)O 62a_100000747449_100000185759 [0,2,0,0,0,0|0,1,0]=3 5657 B13R1.14 COC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000747449 [0,2,0,0,0,0|1,1,0]=4 5658 B13R1.14 COC(=O)CSc1ccc(cn1)Br 62a_100000747449_100000686858 [0,2,0,0,0,0|1,1,0]=4 5659 B13R1.14 COC(=O)CSc1ccc(cn1)C 62a_100000747449_100000754016 [0,2,0,0,0,0|1,1,0]=4 5660 B13R1.14 COC(=O)CSc1ccc(cn1)C 62a_100011192072_100000747449 [0,2,0,0,0,0|1,1,0]=4 5661 B13R1.14 COC(=O)CSc1ccc(cn1)Cl 62a_100000747449_100011356976 [0,2,0,0,0,0|1,1,0]=4 5662 B13R1.14 COC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000747449 [0,2,0,0,0,0|1,1,0]=4 5663 B13R1.14 COC(=O)CSc1ccc(cn1)F 62a_100000744514_100000747449 [0,2,0,0,0,0|1,1,0]=4 5664 B13R1.14 COC(=O)CSc1ccc(cn1)F 62a_100000747449_100000744514 [0,2,0,0,0,0|1,1,0]=4 5665 B13R1.14 COC(=O)CSc1ccc(cn1)N 62a_100000737798_100000747449 [0,2,0,0,0,0|1,1,0]=4 5666 B13R1.14 COC(=O)CSc1ccc(cn1)N 62a_100000747449_100000737798 [0,2,0,0,0,0|1,1,0]=4 5667 B13R1.14 COC(=O)CSc1ccc(cn1)O 62a_100000685995_100000747449 [0,2,0,0,0,0|1,1,0]=4 5668 B13R1.14 COC(=O)CSc1ccc(cn1)O 62a_100000747449_100000744096 [0,2,0,0,0,0|1,1,0]=4 5669 B13R1.14 COC(=O)CSc1ccc(nc1)Br 62a_100000747449_100009814638 [0,2,0,0,0,0|1,1,0]=4 5670 B13R1.14 COC(=O)CSc1ccc(nc1)Br 62a_100009814638_100000747449 [0,2,0,0,0,0|1,1,0]=4 5671 B13R1.14 COC(=O)CSc1ccc(nc1)C 62a_100000747449_100000751577 [0,2,0,0,0,0|1,1,0]=4 5672 B13R1.14 COC(=O)CSc1ccc(nc1)C 62a_100000751577_100000747449 [0,2,0,0,0,0|1,1,0]=4 5673 B13R1.14 COC(=O)CSc1ccc(nc1)Cl 62a_100000034144_100000747449 [0,2,0,0,0,0|1,1,0]=4 5674 B13R1.14 COC(=O)CSc1ccc(nc1)Cl 62a_100000747449_100000034144 [0,2,0,0,0,0|1,1,0]=4 5675 B13R1.14 COC(=O)CSc1ccc(nc1)F 62a_100000042367_100000747449 [0,2,0,0,0,0|1,1,0]=4 5676 B13R1.14 COC(=O)CSc1ccc(nc1)F 62a_100000747449_100000042367 [0,2,0,0,0,0|1,1,0]=4 5677 B13R1.14 COC(=O)CSc1ccc(nc1)N 62a_100000187370_100000747449 [0,2,0,0,0,0|1,1,0]=4 5678 B13R1.14 COC(=O)CSc1ccc(nc1)N 62a_100000747449_100000187370 [0,2,0,0,0,0|1,1,0]=4 5679 B13R1.14 COC(C)COc1ccc(cc1)C 34a_100011217472_200000210301 [0,2,0,0,0,0|1,0,1]=4 5680 B13R1.14 COC(C)COc1ccc(cc1)C 7a_100011217472_200000210301 [0,2,0,0,0,0|1,0,1]=4 5681 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 34a_100000185759_100000059175 [0,2,0,0,0,0|1,0,1]=4 5682 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 7a_100000185759_100000059175 [0,2,0,0,0,0|1,0,1]=4 5683 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 34a_100000210216_100000059175 [0,2,0,0,0,0|1,0,1]=4 5684 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 7a_100000210216_100000059175 [0,2,0,0,0,0|1,0,1]=4 5685 B13R1.14 C[C@@H](CO)COc1ccc(cc1)F 34a_100000210339_100000059175 [0,2,0,0,0,0|1,0,1]=4 5686 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 34a_100000212066_100000059175 [0,2,0,0,0,0|1,0,1]=4 5687 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 7a_100000212066_100000059175 [0,2,0,0,0,0|1,0,1]=4 5688 B13R1.14 C[C@@H](CO)COc1ccc(cc1)N 34a_100000185829_100000059175 [0,2,0,0,0,0|1,0,1]=4 5689 B13R1.14 Cc1ccc(cc1)CCC(=O)CF 1458a_100000234883_100015361967 [0,2,0,0,0,0|2,0,0]=4 5690 B13R1.14 Cc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100011713686 [0,2,0,0,0,0|1,0,0]=3 5691 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 240690a_100000174908_100000210174 [0,2,0,0,0,0|2,0,0]=4 5692 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 527a_100000174908_100000210174 [0,2,0,0,0,0|2,0,0]=4 5693 B13R1.14 Cc1ccc(cc1)NNC(=O)CO 22a_100000683527_100000210174 [0,2,0,0,0,0|2,0,0]=4 5694 B13R1.14 Cc1ccc(cc1)OCC(=O)CF 1458a_100000182360_100015361967 [0,2,0,0,0,0|1,0,0]=3 5695 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 34a_100011217472_200025704644 [0,2,0,0,0,0|1,0,1]=4 5696 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 7a_100011217472_200025704644 [0,2,0,0,0,0|1,0,1]=4 5697 B13R1.14 Cc1ccc(cc1)OCC(O)CO 34a_100000210336_100011219619 [0,2,0,0,0,0|0,0,2]=4 5698 B13R1.14 Cc1ccc(cc1)OCC(O)CO 7a_100000210336_100011219619 [0,2,0,0,0,0|0,0,2]=4 5699 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 34a_100000210336_100000059175 [0,2,0,0,0,0|1,0,1]=4 5700 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 7a_100000210336_100000059175 [0,2,0,0,0,0|1,0,1]=4 5701 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CF 34a_100000210336_100015614560 [0,2,0,0,0,0|1,0,1]=4 5702 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CF 7a_100000210336_100015614560 [0,2,0,0,0,0|1,0,1]=4 5703 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CO 34a_100000210336_100009815848 [0,2,0,0,0,0|0,0,2]=4 5704 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CO 7a_100000210336_100009815848 [0,2,0,0,0,0|0,0,2]=4 5705 B13R1.14 Cc1ccc(cc1)SCC(=O)CF 1458a_100000179497_100015361967 [0,2,0,0,0,0|1,1,0]=4 5706 B13R1.14 NNC(=O)COc1ccc(cc1)O 271570a_203496583355_100000182278 [0,2,0,0,0,0|1,0,0]=3 5707 B13R1.14 Nc1ccc(cc1)OCC(O)CO 34a_100000185829_100011219619 [0,2,0,0,0,0|0,0,2]=4 5708 B13R1.14 Nc1ccc(cc1)OC[C@@H](O)CF 34a_100000185829_100015614560 [0,2,0,0,0,0|1,0,1]=4 5709 B13R1.14 Nc1ccc(cc1)OC[C@@H](O)CO 34a_100000185829_100009815848 [0,2,0,0,0,0|0,0,2]=4 5710 B13R1.14 O=C(CF)CCc1ccc(cc1)Br 1458a_100000217147_100015361967 [0,2,0,0,0,0|2,0,0]=4 5711 B13R1.14 O=C(CF)CCc1ccc(cc1)Cl 1458a_100000235379_100015361967 [0,2,0,0,0,0|2,0,0]=4 5712 B13R1.14 O=C(CF)CCc1ccc(cc1)F 1458a_100000198493_100015361967 [0,2,0,0,0,0|2,0,0]=4 5713 B13R1.14 O=C(CF)CCc1ccc(cc1)I 1458a_100011217499_100015361967 [0,2,0,0,0,0|2,0,0]=4 5714 B13R1.14 O=C(CF)CCc1ccc(cc1)O 1458a_100000742835_100015361967 [0,2,0,0,0,0|2,0,0]=4 5715 B13R1.14 O=C(CF)COc1ccc(cc1)Br 1458a_100000182358_100015361967 [0,2,0,0,0,0|1,0,0]=3 5716 B13R1.14 O=C(CF)COc1ccc(cc1)Cl 1458a_100016990877_100015361967 [0,2,0,0,0,0|1,0,0]=3 5717 B13R1.14 O=C(CF)COc1ccc(cc1)F 1458a_100000184765_100015361967 [0,2,0,0,0,0|1,0,0]=3 5718 B13R1.14 O=C(CF)COc1ccc(cc1)I 1458a_100000184369_100015361967 [0,2,0,0,0,0|1,0,0]=3 5719 B13R1.14 O=C(CF)COc1ccc(cc1)O 1458a_100000031633_100015361967 [0,2,0,0,0,0|1,0,0]=3 5720 B13R1.14 O=C(CF)CSc1ccc(cc1)Br 1458a_100000179496_100015361967 [0,2,0,0,0,0|1,1,0]=4 5721 B13R1.14 O=C(CF)CSc1ccc(cc1)Cl 1458a_100000178402_100015361967 [0,2,0,0,0,0|1,1,0]=4 5722 B13R1.14 O=C(CF)CSc1ccc(cc1)F 1458a_100000691584_100015361967 [0,2,0,0,0,0|1,1,0]=4 5723 B13R1.14 O=C(CO)CCc1ccc(cc1)Br 1458a_100000210174_100011740612 [0,2,0,0,0,0|1,0,0]=3 5724 B13R1.14 O=C(CO)CCc1ccc(cc1)Cl 1458a_100000210174_100011713675 [0,2,0,0,0,0|1,0,0]=3 5725 B13R1.14 O=C(CO)CCc1ccc(cc1)F 1458a_100000210174_100011217392 [0,2,0,0,0,0|1,0,0]=3 5726 B13R1.14 O=C(CO)CCc1ccc(cc1)O 1458a_100000210174_100009816426 [0,2,0,0,0,0|1,0,0]=3 5727 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 240690a_100000174875_100000210174 [0,2,0,0,0,0|2,0,0]=4 5728 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 527a_100000174875_100000210174 [0,2,0,0,0,0|2,0,0]=4 5729 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 240690a_100000174871_100000210174 [0,2,0,0,0,0|2,0,0]=4 5730 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 527a_100000174871_100000210174 [0,2,0,0,0,0|2,0,0]=4 5731 B13R1.14 O=C(CO)NCc1ccc(cc1)F 240690a_100000174882_100000210174 [0,2,0,0,0,0|2,0,0]=4 5732 B13R1.14 O=C(CO)NCc1ccc(cc1)F 527a_100000174882_100000210174 [0,2,0,0,0,0|2,0,0]=4 5733 B13R1.14 O=C(CO)NCc1ccc(cc1)I 240690a_100016989417_100000210174 [0,2,0,0,0,0|2,0,0]=4 5734 B13R1.14 O=C(CO)NCc1ccc(cc1)I 527a_100016989417_100000210174 [0,2,0,0,0,0|2,0,0]=4 5735 B13R1.14 O=C(CO)NCc1ccc(cc1)O 240690a_100000185549_100000210174 [0,2,0,0,0,0|2,0,0]=4 5736 B13R1.14 O=C(CO)NCc1ccc(cc1)O 527a_100000185549_100000210174 [0,2,0,0,0,0|2,0,0]=4 5737 B13R1.14 O=C(CO)NNc1ccc(cc1)Br 22a_100000735608_100000210174 [0,2,0,0,0,0|2,0,0]=4 5738 B13R1.14 O=C(CO)NNc1ccc(cc1)Cl 22a_100000683521_100000210174 [0,2,0,0,0,0|2,0,0]=4 5739 B13R1.14 O=C(CO)NNc1ccc(cc1)F 22a_100000728448_100000210174 [0,2,0,0,0,0|2,0,0]=4 5740 B13R1.14 O=C(CO)NNc1ccc(cc1)I 22a_100016988836_100000210174 [0,2,0,0,0,0|2,0,0]=4 5741 B13R1.14 OCC(O)COc1ccc(cc1)Br 34a_100000185759_100011219619 [0,2,0,0,0,0|0,0,2]=4 5742 B13R1.14 OCC(O)COc1ccc(cc1)Br 7a_100000185759_100011219619 [0,2,0,0,0,0|0,0,2]=4 5743 B13R1.14 OCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011219619 [0,2,0,0,0,0|0,0,2]=4 5744 B13R1.14 OCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011219619 [0,2,0,0,0,0|0,0,2]=4 5745 B13R1.14 OCC(O)COc1ccc(cc1)F 34a_100000210339_100011219619 [0,2,0,0,0,0|0,0,2]=4 5746 B13R1.14 OCC(O)COc1ccc(cc1)I 34a_100000212066_100011219619 [0,2,0,0,0,0|0,0,2]=4 5747 B13R1.14 OCC(O)COc1ccc(cc1)I 7a_100000212066_100011219619 [0,2,0,0,0,0|0,0,2]=4 5748 B13R1.14 OC[C@H](O)COc1ccc(cc1)Br 34a_100000185759_100009815848 [0,2,0,0,0,0|0,0,2]=4 5749 B13R1.14 OC[C@H](O)COc1ccc(cc1)Br 7a_100000185759_100009815848 [0,2,0,0,0,0|0,0,2]=4 5750 B13R1.14 OC[C@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009815848 [0,2,0,0,0,0|0,0,2]=4 5751 B13R1.14 OC[C@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009815848 [0,2,0,0,0,0|0,0,2]=4 5752 B13R1.14 OC[C@H](O)COc1ccc(cc1)F 34a_100000210339_100009815848 [0,2,0,0,0,0|0,0,2]=4 5753 B13R1.14 OC[C@H](O)COc1ccc(cc1)I 34a_100000212066_100009815848 [0,2,0,0,0,0|0,0,2]=4 5754 B13R1.14 OC[C@H](O)COc1ccc(cc1)I 7a_100000212066_100009815848 [0,2,0,0,0,0|0,0,2]=4 5755 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Br 34a_100000185759_100015614560 [0,2,0,0,0,0|1,0,1]=4 5756 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Br 7a_100000185759_100015614560 [0,2,0,0,0,0|1,0,1]=4 5757 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Cl 34a_100000210216_100015614560 [0,2,0,0,0,0|1,0,1]=4 5758 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Cl 7a_100000210216_100015614560 [0,2,0,0,0,0|1,0,1]=4 5759 B13R1.14 O[C@@H](CF)COc1ccc(cc1)F 34a_100000210339_100015614560 [0,2,0,0,0,0|1,0,1]=4 5760 B13R1.14 O[C@@H](CF)COc1ccc(cc1)I 34a_100000212066_100015614560 [0,2,0,0,0,0|1,0,1]=4 5761 B13R1.14 O[C@@H](CF)COc1ccc(cc1)I 7a_100000212066_100015614560 [0,2,0,0,0,0|1,0,1]=4 5762 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000070787_100000188085 [0,2,0,0,0,0|2,0,0]=4 5763 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000070787_100000211441 [0,2,0,0,0,0|2,0,0]=4 5764 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000070787_100000211071 [0,2,0,0,0,0|2,0,0]=4 5765 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000070787_100000211279 [0,2,0,0,0,0|2,0,0]=4 5766 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000070787_100011216261 [0,2,0,0,0,0|2,0,0]=4 5767 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000070787_100009814261 [0,2,0,0,0,0|2,0,0]=4 5768 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100000184285 [0,2,0,0,0,0|2,0,0]=4 5769 B13R1.132 CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_200000210301 [0,2,0,0,0,0|2,0,0]=4 5770 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [0,2,0,0,0,0|2,0,0]=4 5771 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [0,2,0,0,0,0|2,0,0]=4 5772 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 2230a_100000219623_100000747473 [0,2,0,0,0,0|2,0,0]=4 5773 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 269982a_100000219623_100000187820 [0,2,0,0,0,0|2,0,0]=4 5774 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 34a_100000219623_100000187820 [0,2,0,0,0,0|2,0,0]=4 5775 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 2230a_100020629279_100000747473 [0,2,0,0,0,0|2,0,0]=4 5776 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 269982a_100020629279_100000187820 [0,2,0,0,0,0|2,0,0]=4 5777 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 34a_100020629279_100000187820 [0,2,0,0,0,0|2,0,0]=4 5778 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 2230a_100000219829_100000747473 [0,2,0,0,0,0|2,0,0]=4 5779 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 269982a_100000219829_100000187820 [0,2,0,0,0,0|2,0,0]=4 5780 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 34a_100000219829_100000187820 [0,2,0,0,0,0|2,0,0]=4 5781 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 2230a_100000743151_100000747473 [0,2,0,0,0,0|2,0,0]=4 5782 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 269982a_100000743151_100000187820 [0,2,0,0,0,0|2,0,0]=4 5783 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 34a_100000743151_100000187820 [0,2,0,0,0,0|2,0,0]=4 5784 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 269982a_100000182112_100000187820 [0,2,0,0,0,0|2,0,0]=4 5785 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 34a_100000182112_100000187820 [0,2,0,0,0,0|2,0,0]=4 5786 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200000210301 [0,2,0,0,0,0|1,0,0]=3 5787 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000210301 [0,2,0,0,0,0|1,0,0]=3 5788 B13R1.132 CN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200000210301 [0,2,0,0,0,0|1,0,0]=3 5789 B13R1.132 CN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200000210301 [0,2,0,0,0,0|1,0,0]=3 5790 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Br 269982a_100000219623_100020667443 [0,2,0,0,0,0|1,0,1]=4 5791 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Br 34a_100000219623_100020667443 [0,2,0,0,0,0|1,0,1]=4 5792 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Cl 269982a_100020629279_100020667443 [0,2,0,0,0,0|1,0,1]=4 5793 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Cl 34a_100020629279_100020667443 [0,2,0,0,0,0|1,0,1]=4 5794 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)F 269982a_100000219829_100020667443 [0,2,0,0,0,0|1,0,1]=4 5795 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)F 34a_100000219829_100020667443 [0,2,0,0,0,0|1,0,1]=4 5796 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)I 269982a_100000743151_100020667443 [0,2,0,0,0,0|1,0,1]=4 5797 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)I 34a_100000743151_100020667443 [0,2,0,0,0,0|1,0,1]=4 5798 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 269982a_100000182112_100020667443 [0,2,0,0,0,0|1,0,1]=4 5799 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 34a_100000182112_100020667443 [0,2,0,0,0,0|1,0,1]=4 5800 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)N 1458a_100000188618_100000187820 [0,2,0,0,0,0|2,0,0]=4 5801 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)[O-] 1458a_100000188618_100020667443 [0,2,0,0,0,0|1,0,1]=4 5802 B13R1.132 Cc1ccc(cc1)C(C)CC(=O)[13CH3] 1458a_100011240733_200025704644 [0,2,0,0,0,0|2,0,0]=4 5803 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 2230a_100000219977_100000747473 [0,2,0,0,0,0|2,0,0]=4 5804 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 269982a_100000219977_100000187820 [0,2,0,0,0,0|2,0,0]=4 5805 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 34a_100000219977_100000187820 [0,2,0,0,0,0|2,0,0]=4 5806 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)[O-] 269982a_100000219977_100020667443 [0,2,0,0,0,0|1,0,1]=4 5807 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)[O-] 34a_100000219977_100020667443 [0,2,0,0,0,0|1,0,1]=4 5808 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000187820 [0,2,0,0,0,0|2,0,0]=4 5809 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000187820 [0,2,0,0,0,0|2,0,0]=4 5810 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000187820 [0,2,0,0,0,0|2,0,0]=4 5811 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000187820 [0,2,0,0,0,0|2,0,0]=4 5812 B13R1.132 NC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000187820 [0,2,0,0,0,0|2,0,0]=4 5813 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)Br 1458a_100000185839_100020667443 [0,2,0,0,0,0|1,0,1]=4 5814 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100020667443 [0,2,0,0,0,0|1,0,1]=4 5815 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)F 1458a_100000187176_100020667443 [0,2,0,0,0,0|1,0,1]=4 5816 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)I 1458a_100000187904_100020667443 [0,2,0,0,0,0|1,0,1]=4 5817 B13R1.132 O=C([O-])CC(=O)c1ccc(cc1)O 1458a_100000212099_100020667443 [0,2,0,0,0,0|1,0,1]=4 5818 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200025704644 [0,2,0,0,0,0|1,0,0]=3 5819 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200025704644 [0,2,0,0,0,0|1,0,0]=3 5820 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200025704644 [0,2,0,0,0,0|1,0,0]=3 5821 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200025704644 [0,2,0,0,0,0|1,0,0]=3 5822 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_200000210301 [0,2,0,0,0,0|2,0,0]=4 5823 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_200000210301 [0,2,0,0,0,0|2,0,0]=4 5824 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100009814033 [0,2,0,0,0,0|2,0,0]=4 5825 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100009814033 [0,2,0,0,0,0|2,0,0]=4 5826 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 1458a_100000181392_200000210301 [0,2,0,0,0,0|1,0,0]=3 5827 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100000179758 [0,2,0,0,0,0|1,0,0]=3 5828 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 1458a_100000183867_200000210301 [0,2,0,0,0,0|1,0,0]=3 5829 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100000179758 [0,2,0,0,0,0|1,0,0]=3 5830 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 1458a_100000184027_200000210301 [0,2,0,0,0,0|1,0,0]=3 5831 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000179758 [0,2,0,0,0,0|1,0,0]=3 5832 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)F 1458a_100000203723_200000210301 [0,2,0,0,0,0|1,0,0]=3 5833 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000179758 [0,2,0,0,0,0|1,0,0]=3 5834 B13R1.133 CC(=O)C(C)Oc1ccc(nc1)Br 7a_100000685995_100000179758 [0,2,0,0,0,0|2,0,0]=4 5835 B13R1.133 CC(=O)C(C)Oc1ccc(nc1)C 7a_100000745506_100000179758 [0,2,0,0,0,0|2,0,0]=4 5836 B13R1.133 CC(=O)C(C)Oc1ccc(nc1)Cl 7a_100000744096_100000179758 [0,2,0,0,0,0|2,0,0]=4 5837 B13R1.133 CC(=O)C(C)Oc1ccc(nc1)F 7a_100000688820_100000179758 [0,2,0,0,0,0|2,0,0]=4 5838 B13R1.133 CC(=O)C(C)Oc1ccc(nc1)I 7a_100000687607_100000179758 [0,2,0,0,0,0|2,0,0]=4 5839 B13R1.133 CC(=O)C(C)Oc1ccc(nc1)N 7a_100015188713_100000179758 [0,2,0,0,0,0|2,0,0]=4 5840 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100009814033 [0,2,0,0,0,0|1,1,0]=4 5841 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100009814033_100000752885 [0,2,0,0,0,0|1,1,0]=4 5842 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 1458a_100000181072_200000210301 [0,2,0,0,0,0|1,1,0]=4 5843 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100009814033 [0,2,0,0,0,0|1,1,0]=4 5844 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100009814033_100000186775 [0,2,0,0,0,0|1,1,0]=4 5845 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 1458a_100000178403_200000210301 [0,2,0,0,0,0|1,1,0]=4 5846 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100009814033 [0,2,0,0,0,0|1,1,0]=4 5847 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100009814033_100000755918 [0,2,0,0,0,0|1,1,0]=4 5848 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 1458a_100000181075_200000210301 [0,2,0,0,0,0|1,1,0]=4 5849 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100009814033 [0,2,0,0,0,0|1,1,0]=4 5850 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100009814033_100000211213 [0,2,0,0,0,0|1,1,0]=4 5851 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100009814033 [0,2,0,0,0,0|1,1,0]=4 5852 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100009814033_100000185761 [0,2,0,0,0,0|1,1,0]=4 5853 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)O 62a_100009814033_100000185759 [0,2,0,0,0,0|1,1,0]=4 5854 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200000210301 [0,2,0,0,0,0|2,0,0]=4 5855 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200000210301 [0,2,0,0,0,0|2,0,0]=4 5856 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [0,2,0,0,0,0|2,0,0]=4 5857 B13R1.133 CC(=O)[C@@H](C)Oc1ccc(cc1)O 1458a_100000005562_200000210301 [0,2,0,0,0,0|1,0,0]=3 5858 B13R1.133 CC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200000210301 [0,2,0,0,0,0|2,0,0]=4 5859 B13R1.133 CC(Cc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000695199_200025704644 [0,2,0,0,0,0|2,0,0]=4 5860 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000746122_200025704644 [0,2,0,0,0,0|2,0,0]=4 5861 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 2230a_100000210018_100000702099 [0,2,0,0,0,0|2,0,0]=4 5862 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 34a_100000210018_100000702099 [0,2,0,0,0,0|2,0,0]=4 5863 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 2230a_100000210052_100000702099 [0,2,0,0,0,0|2,0,0]=4 5864 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 34a_100000210052_100000702099 [0,2,0,0,0,0|2,0,0]=4 5865 B13R1.133 CC(Nc1ccc(cc1)F)C(=O)N 34a_100000185862_100000702099 [0,2,0,0,0,0|2,0,0]=4 5866 B13R1.133 CC(Nc1ccc(cc1)I)C(=O)N 34a_100000185761_100000702099 [0,2,0,0,0,0|2,0,0]=4 5867 B13R1.133 CC(Nc1ccc(cc1)O)C(=O)N 34a_100000185829_100000702099 [0,2,0,0,0,0|2,0,0]=4 5868 B13R1.133 CC(Oc1ccc(=O)[nH]c1)C(=O)N 34a_100000075641_100000702099 [0,2,0,0,0,0|2,0,0]=4 5869 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 34a_100000185759_100000702099 [0,2,0,0,0,0|1,0,0]=3 5870 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 7a_100000185759_100000702099 [0,2,0,0,0,0|1,0,0]=3 5871 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000181392_200025704644 [0,2,0,0,0,0|1,0,0]=3 5872 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 34a_100000210216_100000702099 [0,2,0,0,0,0|1,0,0]=3 5873 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 7a_100000210216_100000702099 [0,2,0,0,0,0|1,0,0]=3 5874 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000184027_200025704644 [0,2,0,0,0,0|1,0,0]=3 5875 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)N 34a_100000210339_100000702099 [0,2,0,0,0,0|1,0,0]=3 5876 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000203723_200025704644 [0,2,0,0,0,0|1,0,0]=3 5877 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 34a_100000212066_100000702099 [0,2,0,0,0,0|1,0,0]=3 5878 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 7a_100000212066_100000702099 [0,2,0,0,0,0|1,0,0]=3 5879 B13R1.133 CC(Oc1ccc(cc1)N)C(=O)N 34a_100000185829_100000702099 [0,2,0,0,0,0|1,0,0]=3 5880 B13R1.133 CC(Oc1ccc(cc1)O)C(=O)N 271570a_203496583355_100000150412 [0,2,0,0,0,0|1,0,0]=3 5881 B13R1.133 CC(Oc1ccc(cn1)Cl)C(=O)N 34a_100011215309_100000702099 [0,2,0,0,0,0|2,0,0]=4 5882 B13R1.133 CC(Oc1ccc(cn1)F)C(=O)N 34a_100000742473_100000702099 [0,2,0,0,0,0|2,0,0]=4 5883 B13R1.133 CC(Oc1ccc(cn1)N)C(=O)N 34a_100000729260_100000702099 [0,2,0,0,0,0|2,0,0]=4 5884 B13R1.133 CC(Oc1ccc(nc1)Br)C(=O)N 34a_100000685995_100000702099 [0,2,0,0,0,0|2,0,0]=4 5885 B13R1.133 CC(Oc1ccc(nc1)Br)C(=O)N 7a_100000685995_100000702099 [0,2,0,0,0,0|2,0,0]=4 5886 B13R1.133 CC(Oc1ccc(nc1)Cl)C(=O)N 34a_100000744096_100000702099 [0,2,0,0,0,0|2,0,0]=4 5887 B13R1.133 CC(Oc1ccc(nc1)Cl)C(=O)N 7a_100000744096_100000702099 [0,2,0,0,0,0|2,0,0]=4 5888 B13R1.133 CC(Oc1ccc(nc1)F)C(=O)N 34a_100000688820_100000702099 [0,2,0,0,0,0|2,0,0]=4 5889 B13R1.133 CC(Oc1ccc(nc1)F)C(=O)N 7a_100000688820_100000702099 [0,2,0,0,0,0|2,0,0]=4 5890 B13R1.133 CC(Oc1ccc(nc1)I)C(=O)N 34a_100000687607_100000702099 [0,2,0,0,0,0|2,0,0]=4 5891 B13R1.133 CC(Oc1ccc(nc1)I)C(=O)N 7a_100000687607_100000702099 [0,2,0,0,0,0|2,0,0]=4 5892 B13R1.133 CC(Oc1ccc(nc1)N)C(=O)N 34a_100015188713_100000702099 [0,2,0,0,0,0|2,0,0]=4 5893 B13R1.133 CC(Oc1ccc(nc1)N)C(=O)N 7a_100015188713_100000702099 [0,2,0,0,0,0|2,0,0]=4 5894 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000702099_100000752885 [0,2,0,0,0,0|1,1,0]=4 5895 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000752885_100000702099 [0,2,0,0,0,0|1,1,0]=4 5896 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000702099_100000755918 [0,2,0,0,0,0|1,1,0]=4 5897 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000755918_100000702099 [0,2,0,0,0,0|1,1,0]=4 5898 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000178403_200025704644 [0,2,0,0,0,0|1,1,0]=4 5899 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000211213_100000702099 [0,2,0,0,0,0|1,1,0]=4 5900 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000702099_100000211213 [0,2,0,0,0,0|1,1,0]=4 5901 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000181075_200025704644 [0,2,0,0,0,0|1,1,0]=4 5902 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000185761_100000702099 [0,2,0,0,0,0|1,1,0]=4 5903 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000702099_100000185761 [0,2,0,0,0,0|1,1,0]=4 5904 B13R1.133 CC(Sc1ccc(cc1)O)C(=O)N 62a_100000702099_100000185759 [0,2,0,0,0,0|1,1,0]=4 5905 B13R1.133 C[C@@H](Oc1ccc(cc1)O)C(=O)[13CH3] 1458a_100000005562_200025704644 [0,2,0,0,0,0|1,0,0]=3 5906 B13R1.133 Cc1ccc(cc1)NC(C)C(=O)N 34a_100000124888_100000702099 [0,2,0,0,0,0|2,0,0]=4 5907 B13R1.133 Cc1ccc(cc1)NC(F)C(=O)N 34a_100000124888_100009813875 [0,2,0,0,0,0|2,0,0]=4 5908 B13R1.133 Cc1ccc(cc1)NC(F)C(=O)[O-] 34a_100000124888_100020610796 [0,2,0,0,0,0|1,0,1]=4 5909 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 34a_100000210336_100000702099 [0,2,0,0,0,0|1,0,0]=3 5910 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 7a_100000210336_100000702099 [0,2,0,0,0,0|1,0,0]=3 5911 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)[13CH3] 1458a_100000183867_200025704644 [0,2,0,0,0,0|1,0,0]=3 5912 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 34a_100000210336_100009813875 [0,2,0,0,0,0|1,0,0]=3 5913 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 7a_100000210336_100009813875 [0,2,0,0,0,0|1,0,0]=3 5914 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000210336_100020610796 [0,2,0,0,0,0|0,0,1]=3 5915 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000186775_100000702099 [0,2,0,0,0,0|1,1,0]=4 5916 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000702099_100000186775 [0,2,0,0,0,0|1,1,0]=4 5917 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)[13CH3] 1458a_100000181072_200025704644 [0,2,0,0,0,0|1,1,0]=4 5918 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)N 62a_100000186775_100009813875 [0,2,0,0,0,0|1,1,0]=4 5919 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)N 62a_100009813875_100000186775 [0,2,0,0,0,0|1,1,0]=4 5920 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)[O-] 62a_100000186775_100020610796 [0,2,0,0,0,0|0,1,1]=4 5921 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000186775 [0,2,0,0,0,0|0,1,1]=4 5922 B13R1.133 Cc1ccc(cn1)OC(C)C(=O)N 34a_100000745506_100000702099 [0,2,0,0,0,0|2,0,0]=4 5923 B13R1.133 Cc1ccc(cn1)OC(C)C(=O)N 7a_100000745506_100000702099 [0,2,0,0,0,0|2,0,0]=4 5924 B13R1.133 Cc1ccc(cn1)OC(F)C(=O)N 34a_100000745506_100009813875 [0,2,0,0,0,0|2,0,0]=4 5925 B13R1.133 Cc1ccc(cn1)OC(F)C(=O)N 7a_100000745506_100009813875 [0,2,0,0,0,0|2,0,0]=4 5926 B13R1.133 Cc1ccc(cn1)OC(F)C(=O)[O-] 34a_100000745506_100020610796 [0,2,0,0,0,0|1,0,1]=4 5927 B13R1.133 Cc1ccc(nc1)OC(C)C(=O)N 34a_100000759353_100000702099 [0,2,0,0,0,0|2,0,0]=4 5928 B13R1.133 Cc1ccc(nc1)OC(F)C(=O)N 34a_100000759353_100009813875 [0,2,0,0,0,0|2,0,0]=4 5929 B13R1.133 Cc1ccc(nc1)OC(F)C(=O)[O-] 34a_100000759353_100020610796 [0,2,0,0,0,0|1,0,1]=4 5930 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Br 2230a_100000210018_100009813875 [0,2,0,0,0,0|2,0,0]=4 5931 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Br 34a_100000210018_100009813875 [0,2,0,0,0,0|2,0,0]=4 5932 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Cl 2230a_100000210052_100009813875 [0,2,0,0,0,0|2,0,0]=4 5933 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Cl 34a_100000210052_100009813875 [0,2,0,0,0,0|2,0,0]=4 5934 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)F 34a_100000185862_100009813875 [0,2,0,0,0,0|2,0,0]=4 5935 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)I 34a_100000185761_100009813875 [0,2,0,0,0,0|2,0,0]=4 5936 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)O 34a_100000185829_100009813875 [0,2,0,0,0,0|2,0,0]=4 5937 B13R1.133 NC(=O)C(F)Oc1ccc(=O)[nH]c1 34a_100000075641_100009813875 [0,2,0,0,0,0|2,0,0]=4 5938 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 34a_100000185759_100009813875 [0,2,0,0,0,0|1,0,0]=3 5939 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 7a_100000185759_100009813875 [0,2,0,0,0,0|1,0,0]=3 5940 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 34a_100000210216_100009813875 [0,2,0,0,0,0|1,0,0]=3 5941 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 7a_100000210216_100009813875 [0,2,0,0,0,0|1,0,0]=3 5942 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)F 34a_100000210339_100009813875 [0,2,0,0,0,0|1,0,0]=3 5943 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 34a_100000212066_100009813875 [0,2,0,0,0,0|1,0,0]=3 5944 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 7a_100000212066_100009813875 [0,2,0,0,0,0|1,0,0]=3 5945 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)N 34a_100000185829_100009813875 [0,2,0,0,0,0|1,0,0]=3 5946 B13R1.133 NC(=O)C(F)Oc1ccc(cn1)Cl 34a_100011215309_100009813875 [0,2,0,0,0,0|2,0,0]=4 5947 B13R1.133 NC(=O)C(F)Oc1ccc(cn1)F 34a_100000742473_100009813875 [0,2,0,0,0,0|2,0,0]=4 5948 B13R1.133 NC(=O)C(F)Oc1ccc(cn1)N 34a_100000729260_100009813875 [0,2,0,0,0,0|2,0,0]=4 5949 B13R1.133 NC(=O)C(F)Oc1ccc(nc1)Br 34a_100000685995_100009813875 [0,2,0,0,0,0|2,0,0]=4 5950 B13R1.133 NC(=O)C(F)Oc1ccc(nc1)Br 7a_100000685995_100009813875 [0,2,0,0,0,0|2,0,0]=4 5951 B13R1.133 NC(=O)C(F)Oc1ccc(nc1)Cl 34a_100000744096_100009813875 [0,2,0,0,0,0|2,0,0]=4 5952 B13R1.133 NC(=O)C(F)Oc1ccc(nc1)Cl 7a_100000744096_100009813875 [0,2,0,0,0,0|2,0,0]=4 5953 B13R1.133 NC(=O)C(F)Oc1ccc(nc1)F 34a_100000688820_100009813875 [0,2,0,0,0,0|2,0,0]=4 5954 B13R1.133 NC(=O)C(F)Oc1ccc(nc1)F 7a_100000688820_100009813875 [0,2,0,0,0,0|2,0,0]=4 5955 B13R1.133 NC(=O)C(F)Oc1ccc(nc1)I 34a_100000687607_100009813875 [0,2,0,0,0,0|2,0,0]=4 5956 B13R1.133 NC(=O)C(F)Oc1ccc(nc1)I 7a_100000687607_100009813875 [0,2,0,0,0,0|2,0,0]=4 5957 B13R1.133 NC(=O)C(F)Oc1ccc(nc1)N 34a_100015188713_100009813875 [0,2,0,0,0,0|2,0,0]=4 5958 B13R1.133 NC(=O)C(F)Oc1ccc(nc1)N 7a_100015188713_100009813875 [0,2,0,0,0,0|2,0,0]=4 5959 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Br 62a_100000752885_100009813875 [0,2,0,0,0,0|1,1,0]=4 5960 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Br 62a_100009813875_100000752885 [0,2,0,0,0,0|1,1,0]=4 5961 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Cl 62a_100000755918_100009813875 [0,2,0,0,0,0|1,1,0]=4 5962 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Cl 62a_100009813875_100000755918 [0,2,0,0,0,0|1,1,0]=4 5963 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)F 62a_100000211213_100009813875 [0,2,0,0,0,0|1,1,0]=4 5964 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)F 62a_100009813875_100000211213 [0,2,0,0,0,0|1,1,0]=4 5965 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)N 62a_100000185761_100009813875 [0,2,0,0,0,0|1,1,0]=4 5966 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)N 62a_100009813875_100000185761 [0,2,0,0,0,0|1,1,0]=4 5967 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)O 62a_100009813875_100000185759 [0,2,0,0,0,0|1,1,0]=4 5968 B13R1.133 Nc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000185829_100020610796 [0,2,0,0,0,0|0,0,1]=3 5969 B13R1.133 Nc1ccc(cc1)SC(F)C(=O)[O-] 62a_100000185761_100020610796 [0,2,0,0,0,0|0,1,1]=4 5970 B13R1.133 Nc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000185761 [0,2,0,0,0,0|0,1,1]=4 5971 B13R1.133 Nc1ccc(cn1)OC(F)C(=O)[O-] 34a_100015188713_100020610796 [0,2,0,0,0,0|1,0,1]=4 5972 B13R1.133 Nc1ccc(nc1)OC(F)C(=O)[O-] 34a_100000729260_100020610796 [0,2,0,0,0,0|1,0,1]=4 5973 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)Br 34a_100000210018_100020610796 [0,2,0,0,0,0|1,0,1]=4 5974 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)Cl 34a_100000210052_100020610796 [0,2,0,0,0,0|1,0,1]=4 5975 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)F 34a_100000185862_100020610796 [0,2,0,0,0,0|1,0,1]=4 5976 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)I 34a_100000185761_100020610796 [0,2,0,0,0,0|1,0,1]=4 5977 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)O 34a_100000185829_100020610796 [0,2,0,0,0,0|1,0,1]=4 5978 B13R1.133 O=C([O-])C(F)Oc1ccc(=O)[nH]c1 34a_100000075641_100020610796 [0,2,0,0,0,0|1,0,1]=4 5979 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Br 34a_100000185759_100020610796 [0,2,0,0,0,0|0,0,1]=3 5980 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Cl 34a_100000210216_100020610796 [0,2,0,0,0,0|0,0,1]=3 5981 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)F 34a_100000210339_100020610796 [0,2,0,0,0,0|0,0,1]=3 5982 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)I 34a_100000212066_100020610796 [0,2,0,0,0,0|0,0,1]=3 5983 B13R1.133 O=C([O-])C(F)Oc1ccc(cn1)Cl 34a_100011215309_100020610796 [0,2,0,0,0,0|1,0,1]=4 5984 B13R1.133 O=C([O-])C(F)Oc1ccc(cn1)F 34a_100000742473_100020610796 [0,2,0,0,0,0|1,0,1]=4 5985 B13R1.133 O=C([O-])C(F)Oc1ccc(nc1)Br 34a_100000685995_100020610796 [0,2,0,0,0,0|1,0,1]=4 5986 B13R1.133 O=C([O-])C(F)Oc1ccc(nc1)Cl 34a_100000744096_100020610796 [0,2,0,0,0,0|1,0,1]=4 5987 B13R1.133 O=C([O-])C(F)Oc1ccc(nc1)F 34a_100000688820_100020610796 [0,2,0,0,0,0|1,0,1]=4 5988 B13R1.133 O=C([O-])C(F)Oc1ccc(nc1)I 34a_100000687607_100020610796 [0,2,0,0,0,0|1,0,1]=4 5989 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Br 62a_100000752885_100020610796 [0,2,0,0,0,0|0,1,1]=4 5990 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Br 62a_100020610796_100000752885 [0,2,0,0,0,0|0,1,1]=4 5991 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Cl 62a_100000755918_100020610796 [0,2,0,0,0,0|0,1,1]=4 5992 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Cl 62a_100020610796_100000755918 [0,2,0,0,0,0|0,1,1]=4 5993 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)F 62a_100000211213_100020610796 [0,2,0,0,0,0|0,1,1]=4 5994 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)F 62a_100020610796_100000211213 [0,2,0,0,0,0|0,1,1]=4 5995 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)O 62a_100020610796_100000185759 [0,2,0,0,0,0|0,1,1]=4 5996 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200025704644 [0,2,0,0,0,0|2,0,0]=4 5997 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200025704644 [0,2,0,0,0,0|2,0,0]=4 5998 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [0,2,0,0,0,0|2,0,0]=4 5999 B13R1.133 [13CH3]C(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200025704644 [0,2,0,0,0,0|2,0,0]=4 6000 B13R1.164 C=C(C)COc1ccc(cc1Br)Br 34a_100000188717_100000748629 [0,2,0,0,0,0|2,0,0]=4 6001 B13R1.164 C=C(C)COc1ccc(cc1Br)Br 7a_100000188717_100000748629 [0,2,0,0,0,0|2,0,0]=4 6002 B13R1.164 C=C(C)COc1ccc(cc1Br)C 34a_100000210800_100000748629 [0,2,0,0,0,0|2,0,0]=4 6003 B13R1.164 C=C(C)COc1ccc(cc1Br)C 7a_100000210800_100000748629 [0,2,0,0,0,0|2,0,0]=4 6004 B13R1.164 C=C(C)COc1ccc(cc1Br)Cl 34a_100000211998_100000748629 [0,2,0,0,0,0|2,0,0]=4 6005 B13R1.164 C=C(C)COc1ccc(cc1Br)Cl 7a_100000211998_100000748629 [0,2,0,0,0,0|2,0,0]=4 6006 B13R1.164 C=C(C)COc1ccc(cc1Br)F 34a_100000211999_100000748629 [0,2,0,0,0,0|2,0,0]=4 6007 B13R1.164 C=C(C)COc1ccc(cc1Br)F 7a_100000211999_100000748629 [0,2,0,0,0,0|2,0,0]=4 6008 B13R1.164 C=C(C)COc1ccc(cc1Br)I 34a_100012361655_100000748629 [0,2,0,0,0,0|2,0,0]=4 6009 B13R1.164 C=C(C)COc1ccc(cc1Br)I 7a_100012361655_100000748629 [0,2,0,0,0,0|2,0,0]=4 6010 B13R1.164 C=C(C)COc1ccc(cc1Br)N 34a_100011534360_100000748629 [0,2,0,0,0,0|2,0,0]=4 6011 B13R1.164 C=C(C)COc1ccc(cc1Br)N 7a_100011534360_100000748629 [0,2,0,0,0,0|2,0,0]=4 6012 B13R1.164 C=C(C)COc1ccc(cc1C)Br 34a_100000186361_100000748629 [0,2,0,0,0,0|2,0,0]=4 6013 B13R1.164 C=C(C)COc1ccc(cc1C)Br 7a_100000186361_100000748629 [0,2,0,0,0,0|2,0,0]=4 6014 B13R1.164 C=C(C)COc1ccc(cc1C)C 34a_100000211776_100000748629 [0,2,0,0,0,0|2,0,0]=4 6015 B13R1.164 C=C(C)COc1ccc(cc1C)C 7a_100000211776_100000748629 [0,2,0,0,0,0|2,0,0]=4 6016 B13R1.164 C=C(C)COc1ccc(cc1C)Cl 34a_100000211091_100000748629 [0,2,0,0,0,0|2,0,0]=4 6017 B13R1.164 C=C(C)COc1ccc(cc1C)Cl 7a_100000211091_100000748629 [0,2,0,0,0,0|2,0,0]=4 6018 B13R1.164 C=C(C)COc1ccc(cc1C)F 34a_100000764316_100000748629 [0,2,0,0,0,0|2,0,0]=4 6019 B13R1.164 C=C(C)COc1ccc(cc1C)F 7a_100000764316_100000748629 [0,2,0,0,0,0|2,0,0]=4 6020 B13R1.164 C=C(C)COc1ccc(cc1C)I 34a_100011218673_100000748629 [0,2,0,0,0,0|2,0,0]=4 6021 B13R1.164 C=C(C)COc1ccc(cc1C)I 7a_100011218673_100000748629 [0,2,0,0,0,0|2,0,0]=4 6022 B13R1.164 C=C(C)COc1ccc(cc1C)N 34a_100011218179_100000748629 [0,2,0,0,0,0|2,0,0]=4 6023 B13R1.164 C=C(C)COc1ccc(cc1C)N 7a_100011218179_100000748629 [0,2,0,0,0,0|2,0,0]=4 6024 B13R1.164 C=C(C)COc1ccc(cc1Cl)Br 34a_100000186472_100000748629 [0,2,0,0,0,0|2,0,0]=4 6025 B13R1.164 C=C(C)COc1ccc(cc1Cl)Br 7a_100000186472_100000748629 [0,2,0,0,0,0|2,0,0]=4 6026 B13R1.164 C=C(C)COc1ccc(cc1Cl)C 34a_100000749699_100000748629 [0,2,0,0,0,0|2,0,0]=4 6027 B13R1.164 C=C(C)COc1ccc(cc1Cl)C 7a_100000749699_100000748629 [0,2,0,0,0,0|2,0,0]=4 6028 B13R1.164 C=C(C)COc1ccc(cc1Cl)Cl 34a_100015191787_100000748629 [0,2,0,0,0,0|2,0,0]=4 6029 B13R1.164 C=C(C)COc1ccc(cc1Cl)Cl 7a_100015191787_100000748629 [0,2,0,0,0,0|2,0,0]=4 6030 B13R1.164 C=C(C)COc1ccc(cc1Cl)F 34a_100000212004_100000748629 [0,2,0,0,0,0|2,0,0]=4 6031 B13R1.164 C=C(C)COc1ccc(cc1Cl)F 7a_100000212004_100000748629 [0,2,0,0,0,0|2,0,0]=4 6032 B13R1.164 C=C(C)COc1ccc(cc1Cl)I 34a_100012360047_100000748629 [0,2,0,0,0,0|2,0,0]=4 6033 B13R1.164 C=C(C)COc1ccc(cc1Cl)I 7a_100012360047_100000748629 [0,2,0,0,0,0|2,0,0]=4 6034 B13R1.164 C=C(C)COc1ccc(cc1Cl)N 34a_100000744943_100000748629 [0,2,0,0,0,0|2,0,0]=4 6035 B13R1.164 C=C(C)COc1ccc(cc1Cl)N 7a_100000744943_100000748629 [0,2,0,0,0,0|2,0,0]=4 6036 B13R1.164 C=C(C)COc1ccc(cc1F)Br 34a_100000185481_100000748629 [0,2,0,0,0,0|2,0,0]=4 6037 B13R1.164 C=C(C)COc1ccc(cc1F)Br 7a_100000185481_100000748629 [0,2,0,0,0,0|2,0,0]=4 6038 B13R1.164 C=C(C)COc1ccc(cc1F)C 34a_100011216688_100000748629 [0,2,0,0,0,0|2,0,0]=4 6039 B13R1.164 C=C(C)COc1ccc(cc1F)C 7a_100011216688_100000748629 [0,2,0,0,0,0|2,0,0]=4 6040 B13R1.164 C=C(C)COc1ccc(cc1F)Cl 34a_100000230166_100000748629 [0,2,0,0,0,0|2,0,0]=4 6041 B13R1.164 C=C(C)COc1ccc(cc1F)Cl 7a_100000230166_100000748629 [0,2,0,0,0,0|2,0,0]=4 6042 B13R1.164 C=C(C)COc1ccc(cc1F)F 34a_100000230127_100000748629 [0,2,0,0,0,0|2,0,0]=4 6043 B13R1.164 C=C(C)COc1ccc(cc1F)F 7a_100000230127_100000748629 [0,2,0,0,0,0|2,0,0]=4 6044 B13R1.164 C=C(C)COc1ccc(cc1F)I 34a_100011356965_100000748629 [0,2,0,0,0,0|2,0,0]=4 6045 B13R1.164 C=C(C)COc1ccc(cc1F)I 7a_100011356965_100000748629 [0,2,0,0,0,0|2,0,0]=4 6046 B13R1.164 C=C(C)COc1ccc(cc1F)N 34a_100011220035_100000748629 [0,2,0,0,0,0|2,0,0]=4 6047 B13R1.164 C=C(C)COc1ccc(cc1F)N 7a_100011220035_100000748629 [0,2,0,0,0,0|2,0,0]=4 6048 B13R1.164 C=C(C)COc1ccc(cc1I)Br 34a_100012355227_100000748629 [0,2,0,0,0,0|2,0,0]=4 6049 B13R1.164 C=C(C)COc1ccc(cc1I)Br 7a_100012355227_100000748629 [0,2,0,0,0,0|2,0,0]=4 6050 B13R1.164 C=C(C)COc1ccc(cc1I)C 34a_100000765521_100000748629 [0,2,0,0,0,0|2,0,0]=4 6051 B13R1.164 C=C(C)COc1ccc(cc1I)C 7a_100000765521_100000748629 [0,2,0,0,0,0|2,0,0]=4 6052 B13R1.164 C=C(C)COc1ccc(cc1I)Cl 34a_100011356953_100000748629 [0,2,0,0,0,0|2,0,0]=4 6053 B13R1.164 C=C(C)COc1ccc(cc1I)Cl 7a_100011356953_100000748629 [0,2,0,0,0,0|2,0,0]=4 6054 B13R1.164 C=C(C)COc1ccc(cc1I)F 34a_100012355409_100000748629 [0,2,0,0,0,0|2,0,0]=4 6055 B13R1.164 C=C(C)COc1ccc(cc1I)F 7a_100012355409_100000748629 [0,2,0,0,0,0|2,0,0]=4 6056 B13R1.164 C=C(C)COc1ccc(cc1I)I 7a_100010001573_100000748629 [0,2,0,0,0,0|2,0,0]=4 6057 B13R1.164 C=C(C)COc1ccc(cc1N)Br 34a_100000752626_100000748629 [0,2,0,0,0,0|2,0,0]=4 6058 B13R1.164 C=C(C)COc1ccc(cc1N)Br 7a_100000752626_100000748629 [0,2,0,0,0,0|2,0,0]=4 6059 B13R1.164 C=C(C)COc1ccc(cc1N)C 34a_100011215204_100000748629 [0,2,0,0,0,0|2,0,0]=4 6060 B13R1.164 C=C(C)COc1ccc(cc1N)C 7a_100011215204_100000748629 [0,2,0,0,0,0|2,0,0]=4 6061 B13R1.164 C=C(C)COc1ccc(cc1N)Cl 34a_100000210500_100000748629 [0,2,0,0,0,0|2,0,0]=4 6062 B13R1.164 C=C(C)COc1ccc(cc1N)Cl 7a_100000210500_100000748629 [0,2,0,0,0,0|2,0,0]=4 6063 B13R1.164 C=C(C)COc1ccc(cc1N)F 34a_100000759472_100000748629 [0,2,0,0,0,0|2,0,0]=4 6064 B13R1.164 C=C(C)COc1ccc(cc1N)F 7a_100000759472_100000748629 [0,2,0,0,0,0|2,0,0]=4 6065 B13R1.164 C=C(C)COc1ccc(cc1N)I 34a_100000753495_100000748629 [0,2,0,0,0,0|2,0,0]=4 6066 B13R1.164 C=C(C)COc1ccc(cc1N)I 7a_100000753495_100000748629 [0,2,0,0,0,0|2,0,0]=4 6067 B13R1.164 C=C(C)COc1ccc(cc1N)N 34a_100000725306_100000748629 [0,2,0,0,0,0|2,0,0]=4 6068 B13R1.164 C=C(F)COc1ccc(cc1Br)Br 34a_100000188717_100009893438 [0,2,0,0,0,0|2,0,0]=4 6069 B13R1.164 C=C(F)COc1ccc(cc1Br)Br 7a_100000188717_100000042424 [0,2,0,0,0,0|2,0,0]=4 6070 B13R1.164 C=C(F)COc1ccc(cc1Br)C 34a_100000210800_100009893438 [0,2,0,0,0,0|2,0,0]=4 6071 B13R1.164 C=C(F)COc1ccc(cc1Br)C 7a_100000210800_100000042424 [0,2,0,0,0,0|2,0,0]=4 6072 B13R1.164 C=C(F)COc1ccc(cc1Br)Cl 34a_100000211998_100009893438 [0,2,0,0,0,0|2,0,0]=4 6073 B13R1.164 C=C(F)COc1ccc(cc1Br)Cl 7a_100000211998_100000042424 [0,2,0,0,0,0|2,0,0]=4 6074 B13R1.164 C=C(F)COc1ccc(cc1Br)F 34a_100000211999_100009893438 [0,2,0,0,0,0|2,0,0]=4 6075 B13R1.164 C=C(F)COc1ccc(cc1Br)F 7a_100000211999_100000042424 [0,2,0,0,0,0|2,0,0]=4 6076 B13R1.164 C=C(F)COc1ccc(cc1Br)I 34a_100012361655_100009893438 [0,2,0,0,0,0|2,0,0]=4 6077 B13R1.164 C=C(F)COc1ccc(cc1Br)I 7a_100012361655_100000042424 [0,2,0,0,0,0|2,0,0]=4 6078 B13R1.164 C=C(F)COc1ccc(cc1Br)N 34a_100011534360_100009893438 [0,2,0,0,0,0|2,0,0]=4 6079 B13R1.164 C=C(F)COc1ccc(cc1Br)N 7a_100011534360_100000042424 [0,2,0,0,0,0|2,0,0]=4 6080 B13R1.164 C=C(F)COc1ccc(cc1C)Br 34a_100000186361_100009893438 [0,2,0,0,0,0|2,0,0]=4 6081 B13R1.164 C=C(F)COc1ccc(cc1C)Br 7a_100000186361_100000042424 [0,2,0,0,0,0|2,0,0]=4 6082 B13R1.164 C=C(F)COc1ccc(cc1C)C 34a_100000211776_100009893438 [0,2,0,0,0,0|2,0,0]=4 6083 B13R1.164 C=C(F)COc1ccc(cc1C)C 7a_100000211776_100000042424 [0,2,0,0,0,0|2,0,0]=4 6084 B13R1.164 C=C(F)COc1ccc(cc1C)Cl 34a_100000211091_100009893438 [0,2,0,0,0,0|2,0,0]=4 6085 B13R1.164 C=C(F)COc1ccc(cc1C)Cl 7a_100000211091_100000042424 [0,2,0,0,0,0|2,0,0]=4 6086 B13R1.164 C=C(F)COc1ccc(cc1C)F 34a_100000764316_100009893438 [0,2,0,0,0,0|2,0,0]=4 6087 B13R1.164 C=C(F)COc1ccc(cc1C)F 7a_100000764316_100000042424 [0,2,0,0,0,0|2,0,0]=4 6088 B13R1.164 C=C(F)COc1ccc(cc1C)I 34a_100011218673_100009893438 [0,2,0,0,0,0|2,0,0]=4 6089 B13R1.164 C=C(F)COc1ccc(cc1C)I 7a_100011218673_100000042424 [0,2,0,0,0,0|2,0,0]=4 6090 B13R1.164 C=C(F)COc1ccc(cc1C)N 34a_100011218179_100009893438 [0,2,0,0,0,0|2,0,0]=4 6091 B13R1.164 C=C(F)COc1ccc(cc1C)N 7a_100011218179_100000042424 [0,2,0,0,0,0|2,0,0]=4 6092 B13R1.164 C=C(F)COc1ccc(cc1Cl)Br 34a_100000186472_100009893438 [0,2,0,0,0,0|2,0,0]=4 6093 B13R1.164 C=C(F)COc1ccc(cc1Cl)Br 7a_100000186472_100000042424 [0,2,0,0,0,0|2,0,0]=4 6094 B13R1.164 C=C(F)COc1ccc(cc1Cl)C 34a_100000749699_100009893438 [0,2,0,0,0,0|2,0,0]=4 6095 B13R1.164 C=C(F)COc1ccc(cc1Cl)C 7a_100000749699_100000042424 [0,2,0,0,0,0|2,0,0]=4 6096 B13R1.164 C=C(F)COc1ccc(cc1Cl)Cl 34a_100015191787_100009893438 [0,2,0,0,0,0|2,0,0]=4 6097 B13R1.164 C=C(F)COc1ccc(cc1Cl)Cl 7a_100015191787_100000042424 [0,2,0,0,0,0|2,0,0]=4 6098 B13R1.164 C=C(F)COc1ccc(cc1Cl)F 34a_100000212004_100009893438 [0,2,0,0,0,0|2,0,0]=4 6099 B13R1.164 C=C(F)COc1ccc(cc1Cl)F 7a_100000212004_100000042424 [0,2,0,0,0,0|2,0,0]=4 6100 B13R1.164 C=C(F)COc1ccc(cc1Cl)I 34a_100012360047_100009893438 [0,2,0,0,0,0|2,0,0]=4 6101 B13R1.164 C=C(F)COc1ccc(cc1Cl)I 7a_100012360047_100000042424 [0,2,0,0,0,0|2,0,0]=4 6102 B13R1.164 C=C(F)COc1ccc(cc1Cl)N 34a_100000744943_100009893438 [0,2,0,0,0,0|2,0,0]=4 6103 B13R1.164 C=C(F)COc1ccc(cc1Cl)N 7a_100000744943_100000042424 [0,2,0,0,0,0|2,0,0]=4 6104 B13R1.164 C=C(F)COc1ccc(cc1F)Br 34a_100000185481_100009893438 [0,2,0,0,0,0|2,0,0]=4 6105 B13R1.164 C=C(F)COc1ccc(cc1F)Br 7a_100000185481_100000042424 [0,2,0,0,0,0|2,0,0]=4 6106 B13R1.164 C=C(F)COc1ccc(cc1F)C 34a_100011216688_100009893438 [0,2,0,0,0,0|2,0,0]=4 6107 B13R1.164 C=C(F)COc1ccc(cc1F)C 7a_100011216688_100000042424 [0,2,0,0,0,0|2,0,0]=4 6108 B13R1.164 C=C(F)COc1ccc(cc1F)Cl 34a_100000230166_100009893438 [0,2,0,0,0,0|2,0,0]=4 6109 B13R1.164 C=C(F)COc1ccc(cc1F)Cl 7a_100000230166_100000042424 [0,2,0,0,0,0|2,0,0]=4 6110 B13R1.164 C=C(F)COc1ccc(cc1F)F 34a_100000230127_100009893438 [0,2,0,0,0,0|2,0,0]=4 6111 B13R1.164 C=C(F)COc1ccc(cc1F)F 7a_100000230127_100000042424 [0,2,0,0,0,0|2,0,0]=4 6112 B13R1.164 C=C(F)COc1ccc(cc1F)I 34a_100011356965_100009893438 [0,2,0,0,0,0|2,0,0]=4 6113 B13R1.164 C=C(F)COc1ccc(cc1F)I 7a_100011356965_100000042424 [0,2,0,0,0,0|2,0,0]=4 6114 B13R1.164 C=C(F)COc1ccc(cc1F)N 34a_100011220035_100009893438 [0,2,0,0,0,0|2,0,0]=4 6115 B13R1.164 C=C(F)COc1ccc(cc1F)N 7a_100011220035_100000042424 [0,2,0,0,0,0|2,0,0]=4 6116 B13R1.164 C=C(F)COc1ccc(cc1I)Br 34a_100012355227_100009893438 [0,2,0,0,0,0|2,0,0]=4 6117 B13R1.164 C=C(F)COc1ccc(cc1I)Br 7a_100012355227_100000042424 [0,2,0,0,0,0|2,0,0]=4 6118 B13R1.164 C=C(F)COc1ccc(cc1I)C 34a_100000765521_100009893438 [0,2,0,0,0,0|2,0,0]=4 6119 B13R1.164 C=C(F)COc1ccc(cc1I)C 7a_100000765521_100000042424 [0,2,0,0,0,0|2,0,0]=4 6120 B13R1.164 C=C(F)COc1ccc(cc1I)Cl 34a_100011356953_100009893438 [0,2,0,0,0,0|2,0,0]=4 6121 B13R1.164 C=C(F)COc1ccc(cc1I)Cl 7a_100011356953_100000042424 [0,2,0,0,0,0|2,0,0]=4 6122 B13R1.164 C=C(F)COc1ccc(cc1I)F 34a_100012355409_100009893438 [0,2,0,0,0,0|2,0,0]=4 6123 B13R1.164 C=C(F)COc1ccc(cc1I)F 7a_100012355409_100000042424 [0,2,0,0,0,0|2,0,0]=4 6124 B13R1.164 C=C(F)COc1ccc(cc1I)I 7a_100010001573_100000042424 [0,2,0,0,0,0|2,0,0]=4 6125 B13R1.164 C=C(F)COc1ccc(cc1N)Br 34a_100000752626_100009893438 [0,2,0,0,0,0|2,0,0]=4 6126 B13R1.164 C=C(F)COc1ccc(cc1N)Br 7a_100000752626_100000042424 [0,2,0,0,0,0|2,0,0]=4 6127 B13R1.164 C=C(F)COc1ccc(cc1N)C 34a_100011215204_100009893438 [0,2,0,0,0,0|2,0,0]=4 6128 B13R1.164 C=C(F)COc1ccc(cc1N)C 7a_100011215204_100000042424 [0,2,0,0,0,0|2,0,0]=4 6129 B13R1.164 C=C(F)COc1ccc(cc1N)Cl 34a_100000210500_100009893438 [0,2,0,0,0,0|2,0,0]=4 6130 B13R1.164 C=C(F)COc1ccc(cc1N)Cl 7a_100000210500_100000042424 [0,2,0,0,0,0|2,0,0]=4 6131 B13R1.164 C=C(F)COc1ccc(cc1N)F 34a_100000759472_100009893438 [0,2,0,0,0,0|2,0,0]=4 6132 B13R1.164 C=C(F)COc1ccc(cc1N)F 7a_100000759472_100000042424 [0,2,0,0,0,0|2,0,0]=4 6133 B13R1.164 C=C(F)COc1ccc(cc1N)I 34a_100000753495_100009893438 [0,2,0,0,0,0|2,0,0]=4 6134 B13R1.164 C=C(F)COc1ccc(cc1N)I 7a_100000753495_100000042424 [0,2,0,0,0,0|2,0,0]=4 6135 B13R1.164 C=C(F)COc1ccc(cc1N)N 34a_100000725306_100009893438 [0,2,0,0,0,0|2,0,0]=4 6136 B13R1.164 CC(=O)CCc1ccc(cc1Br)Cl 1458a_100000070787_200012945151 [0,2,0,0,0,0|2,0,0]=4 6137 B13R1.164 CC(=O)CCc1ccc(cc1Br)F 1458a_100011308366_200000210301 [0,2,0,0,0,0|2,0,0]=4 6138 B13R1.164 CC(=O)CCc1ccc(cc1C)C 1458a_100000239910_200000210301 [0,2,0,0,0,0|2,0,0]=4 6139 B13R1.164 CC(=O)CCc1ccc(cc1C)F 1458a_100011615716_200000210301 [0,2,0,0,0,0|2,0,0]=4 6140 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Br 1458a_100012349522_200000210301 [0,2,0,0,0,0|2,0,0]=4 6141 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Cl 1458a_100000070787_200012161198 [0,2,0,0,0,0|2,0,0]=4 6142 B13R1.164 CC(=O)CCc1ccc(cc1Cl)Cl 1458a_100000736762_200000210301 [0,2,0,0,0,0|2,0,0]=4 6143 B13R1.164 CC(=O)CCc1ccc(cc1Cl)F 1458a_100011308368_200000210301 [0,2,0,0,0,0|2,0,0]=4 6144 B13R1.164 CC(=O)CCc1ccc(cc1F)Br 1458a_100000747174_200000210301 [0,2,0,0,0,0|2,0,0]=4 6145 B13R1.164 CC(=O)CCc1ccc(cc1F)C 1458a_100000061718_200000210301 [0,2,0,0,0,0|2,0,0]=4 6146 B13R1.164 CC(=O)CCc1ccc(cc1F)Cl 1458a_100012351355_200000210301 [0,2,0,0,0,0|2,0,0]=4 6147 B13R1.164 CC(=O)CCc1ccc(cc1F)F 1458a_100000691965_200000210301 [0,2,0,0,0,0|2,0,0]=4 6148 B13R1.164 CC(=O)CCc1ccc(cc1O)O 1458a_100000041388_200000210301 [0,2,0,0,0,0|2,0,0]=4 6149 B13R1.164 CC(=O)COc1ccc(cc1Br)Br 1458a_200000181479_200000210301 [0,2,0,0,0,0|1,0,0]=3 6150 B13R1.164 CC(=O)COc1ccc(cc1Br)C 1458a_100000186371_200000210301 [0,2,0,0,0,0|1,0,0]=3 6151 B13R1.164 CC(=O)COc1ccc(cc1Br)Cl 1458a_100000184090_200000210301 [0,2,0,0,0,0|1,0,0]=3 6152 B13R1.164 CC(=O)COc1ccc(cc1Br)F 1458a_100000184067_200000210301 [0,2,0,0,0,0|1,0,0]=3 6153 B13R1.164 CC(=O)COc1ccc(cc1C)C 1458a_200000185146_200000210301 [0,2,0,0,0,0|1,0,0]=3 6154 B13R1.164 CC(=O)COc1ccc(cc1C)Cl 1458a_100000182498_200000210301 [0,2,0,0,0,0|1,0,0]=3 6155 B13R1.164 CC(=O)COc1ccc(cc1Cl)Br 1458a_100000185252_200000210301 [0,2,0,0,0,0|1,0,0]=3 6156 B13R1.164 CC(=O)COc1ccc(cc1Cl)C 1458a_200011725833_200000210301 [0,2,0,0,0,0|1,0,0]=3 6157 B13R1.164 CC(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200000210301 [0,2,0,0,0,0|1,0,0]=3 6158 B13R1.164 CC(=O)COc1ccc(cc1Cl)F 1458a_100000191239_200000210301 [0,2,0,0,0,0|1,0,0]=3 6159 B13R1.164 CC(=O)COc1ccc(cc1F)Br 1458a_100000184069_200000210301 [0,2,0,0,0,0|1,0,0]=3 6160 B13R1.164 CC(=O)COc1ccc(cc1F)Cl 1458a_100012771990_200000210301 [0,2,0,0,0,0|1,0,0]=3 6161 B13R1.164 CC(=O)COc1ccc(cc1F)F 1458a_100000737261_200000210301 [0,2,0,0,0,0|1,0,0]=3 6162 B13R1.164 CC(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200000210301 [0,2,0,0,0,0|1,0,0]=3 6163 B13R1.164 CC(=O)CSc1ccc(cc1C)Br 1458a_100000679851_200000210301 [0,2,0,0,0,0|1,1,0]=4 6164 B13R1.164 CC(O)COc1ccc(cc1Br)Br 34a_100000188717_100011218427 [0,2,0,0,0,0|1,0,1]=4 6165 B13R1.164 CC(O)COc1ccc(cc1Br)Br 7a_100000188717_100011218427 [0,2,0,0,0,0|1,0,1]=4 6166 B13R1.164 CC(O)COc1ccc(cc1Br)Cl 34a_100000211998_100011218427 [0,2,0,0,0,0|1,0,1]=4 6167 B13R1.164 CC(O)COc1ccc(cc1Br)Cl 7a_100000211998_100011218427 [0,2,0,0,0,0|1,0,1]=4 6168 B13R1.164 CC(O)COc1ccc(cc1Br)F 34a_100000211999_100011218427 [0,2,0,0,0,0|1,0,1]=4 6169 B13R1.164 CC(O)COc1ccc(cc1Br)F 7a_100000211999_100011218427 [0,2,0,0,0,0|1,0,1]=4 6170 B13R1.164 CC(O)COc1ccc(cc1Br)I 34a_100012361655_100011218427 [0,2,0,0,0,0|1,0,1]=4 6171 B13R1.164 CC(O)COc1ccc(cc1Br)I 7a_100012361655_100011218427 [0,2,0,0,0,0|1,0,1]=4 6172 B13R1.164 CC(O)COc1ccc(cc1Br)N 34a_100011534360_100011218427 [0,2,0,0,0,0|1,0,1]=4 6173 B13R1.164 CC(O)COc1ccc(cc1Br)N 7a_100011534360_100011218427 [0,2,0,0,0,0|1,0,1]=4 6174 B13R1.164 CC(O)COc1ccc(cc1Cl)Br 34a_100000186472_100011218427 [0,2,0,0,0,0|1,0,1]=4 6175 B13R1.164 CC(O)COc1ccc(cc1Cl)Br 7a_100000186472_100011218427 [0,2,0,0,0,0|1,0,1]=4 6176 B13R1.164 CC(O)COc1ccc(cc1Cl)Cl 34a_100015191787_100011218427 [0,2,0,0,0,0|1,0,1]=4 6177 B13R1.164 CC(O)COc1ccc(cc1Cl)Cl 7a_100015191787_100011218427 [0,2,0,0,0,0|1,0,1]=4 6178 B13R1.164 CC(O)COc1ccc(cc1Cl)F 34a_100000212004_100011218427 [0,2,0,0,0,0|1,0,1]=4 6179 B13R1.164 CC(O)COc1ccc(cc1Cl)F 7a_100000212004_100011218427 [0,2,0,0,0,0|1,0,1]=4 6180 B13R1.164 CC(O)COc1ccc(cc1Cl)I 34a_100012360047_100011218427 [0,2,0,0,0,0|1,0,1]=4 6181 B13R1.164 CC(O)COc1ccc(cc1Cl)I 7a_100012360047_100011218427 [0,2,0,0,0,0|1,0,1]=4 6182 B13R1.164 CC(O)COc1ccc(cc1Cl)N 34a_100000744943_100011218427 [0,2,0,0,0,0|1,0,1]=4 6183 B13R1.164 CC(O)COc1ccc(cc1Cl)N 7a_100000744943_100011218427 [0,2,0,0,0,0|1,0,1]=4 6184 B13R1.164 CC(O)COc1ccc(cc1F)Br 34a_100000185481_100011218427 [0,2,0,0,0,0|1,0,1]=4 6185 B13R1.164 CC(O)COc1ccc(cc1F)Br 7a_100000185481_100011218427 [0,2,0,0,0,0|1,0,1]=4 6186 B13R1.164 CC(O)COc1ccc(cc1F)Cl 34a_100000230166_100011218427 [0,2,0,0,0,0|1,0,1]=4 6187 B13R1.164 CC(O)COc1ccc(cc1F)Cl 7a_100000230166_100011218427 [0,2,0,0,0,0|1,0,1]=4 6188 B13R1.164 CC(O)COc1ccc(cc1F)F 34a_100000230127_100011218427 [0,2,0,0,0,0|1,0,1]=4 6189 B13R1.164 CC(O)COc1ccc(cc1F)F 7a_100000230127_100011218427 [0,2,0,0,0,0|1,0,1]=4 6190 B13R1.164 CC(O)COc1ccc(cc1F)I 34a_100011356965_100011218427 [0,2,0,0,0,0|1,0,1]=4 6191 B13R1.164 CC(O)COc1ccc(cc1F)I 7a_100011356965_100011218427 [0,2,0,0,0,0|1,0,1]=4 6192 B13R1.164 CC(O)COc1ccc(cc1F)N 34a_100011220035_100011218427 [0,2,0,0,0,0|1,0,1]=4 6193 B13R1.164 CC(O)COc1ccc(cc1F)N 7a_100011220035_100011218427 [0,2,0,0,0,0|1,0,1]=4 6194 B13R1.164 CC(O)COc1ccc(cc1I)Br 34a_100012355227_100011218427 [0,2,0,0,0,0|1,0,1]=4 6195 B13R1.164 CC(O)COc1ccc(cc1I)Br 7a_100012355227_100011218427 [0,2,0,0,0,0|1,0,1]=4 6196 B13R1.164 CC(O)COc1ccc(cc1I)Cl 34a_100011356953_100011218427 [0,2,0,0,0,0|1,0,1]=4 6197 B13R1.164 CC(O)COc1ccc(cc1I)Cl 7a_100011356953_100011218427 [0,2,0,0,0,0|1,0,1]=4 6198 B13R1.164 CC(O)COc1ccc(cc1I)F 34a_100012355409_100011218427 [0,2,0,0,0,0|1,0,1]=4 6199 B13R1.164 CC(O)COc1ccc(cc1I)F 7a_100012355409_100011218427 [0,2,0,0,0,0|1,0,1]=4 6200 B13R1.164 CC(O)COc1ccc(cc1I)I 7a_100010001573_100011218427 [0,2,0,0,0,0|1,0,1]=4 6201 B13R1.164 CC(O)COc1ccc(cc1N)Br 34a_100000752626_100011218427 [0,2,0,0,0,0|1,0,1]=4 6202 B13R1.164 CC(O)COc1ccc(cc1N)Br 7a_100000752626_100011218427 [0,2,0,0,0,0|1,0,1]=4 6203 B13R1.164 CC(O)COc1ccc(cc1N)Cl 34a_100000210500_100011218427 [0,2,0,0,0,0|1,0,1]=4 6204 B13R1.164 CC(O)COc1ccc(cc1N)Cl 7a_100000210500_100011218427 [0,2,0,0,0,0|1,0,1]=4 6205 B13R1.164 CC(O)COc1ccc(cc1N)F 34a_100000759472_100011218427 [0,2,0,0,0,0|1,0,1]=4 6206 B13R1.164 CC(O)COc1ccc(cc1N)F 7a_100000759472_100011218427 [0,2,0,0,0,0|1,0,1]=4 6207 B13R1.164 CC(O)COc1ccc(cc1N)I 34a_100000753495_100011218427 [0,2,0,0,0,0|1,0,1]=4 6208 B13R1.164 CC(O)COc1ccc(cc1N)I 7a_100000753495_100011218427 [0,2,0,0,0,0|1,0,1]=4 6209 B13R1.164 CC(O)COc1ccc(cc1N)N 34a_100000725306_100011218427 [0,2,0,0,0,0|1,0,1]=4 6210 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Br 34a_100000188717_100009817552 [0,2,0,0,0,0|1,0,1]=4 6211 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Br 7a_100000188717_100009817552 [0,2,0,0,0,0|1,0,1]=4 6212 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Cl 34a_100000211998_100009817552 [0,2,0,0,0,0|1,0,1]=4 6213 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)Cl 7a_100000211998_100009817552 [0,2,0,0,0,0|1,0,1]=4 6214 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)F 34a_100000211999_100009817552 [0,2,0,0,0,0|1,0,1]=4 6215 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)F 7a_100000211999_100009817552 [0,2,0,0,0,0|1,0,1]=4 6216 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)I 34a_100012361655_100009817552 [0,2,0,0,0,0|1,0,1]=4 6217 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)I 7a_100012361655_100009817552 [0,2,0,0,0,0|1,0,1]=4 6218 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)N 34a_100011534360_100009817552 [0,2,0,0,0,0|1,0,1]=4 6219 B13R1.164 C[C@@H](O)COc1ccc(cc1Br)N 7a_100011534360_100009817552 [0,2,0,0,0,0|1,0,1]=4 6220 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Br 34a_100000186472_100009817552 [0,2,0,0,0,0|1,0,1]=4 6221 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Br 7a_100000186472_100009817552 [0,2,0,0,0,0|1,0,1]=4 6222 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Cl 34a_100015191787_100009817552 [0,2,0,0,0,0|1,0,1]=4 6223 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)Cl 7a_100015191787_100009817552 [0,2,0,0,0,0|1,0,1]=4 6224 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)F 34a_100000212004_100009817552 [0,2,0,0,0,0|1,0,1]=4 6225 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)F 7a_100000212004_100009817552 [0,2,0,0,0,0|1,0,1]=4 6226 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)I 34a_100012360047_100009817552 [0,2,0,0,0,0|1,0,1]=4 6227 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)I 7a_100012360047_100009817552 [0,2,0,0,0,0|1,0,1]=4 6228 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)N 34a_100000744943_100009817552 [0,2,0,0,0,0|1,0,1]=4 6229 B13R1.164 C[C@@H](O)COc1ccc(cc1Cl)N 7a_100000744943_100009817552 [0,2,0,0,0,0|1,0,1]=4 6230 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Br 34a_100000185481_100009817552 [0,2,0,0,0,0|1,0,1]=4 6231 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Br 7a_100000185481_100009817552 [0,2,0,0,0,0|1,0,1]=4 6232 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Cl 34a_100000230166_100009817552 [0,2,0,0,0,0|1,0,1]=4 6233 B13R1.164 C[C@@H](O)COc1ccc(cc1F)Cl 7a_100000230166_100009817552 [0,2,0,0,0,0|1,0,1]=4 6234 B13R1.164 C[C@@H](O)COc1ccc(cc1F)F 34a_100000230127_100009817552 [0,2,0,0,0,0|1,0,1]=4 6235 B13R1.164 C[C@@H](O)COc1ccc(cc1F)F 7a_100000230127_100009817552 [0,2,0,0,0,0|1,0,1]=4 6236 B13R1.164 C[C@@H](O)COc1ccc(cc1F)I 34a_100011356965_100009817552 [0,2,0,0,0,0|1,0,1]=4 6237 B13R1.164 C[C@@H](O)COc1ccc(cc1F)I 7a_100011356965_100009817552 [0,2,0,0,0,0|1,0,1]=4 6238 B13R1.164 C[C@@H](O)COc1ccc(cc1F)N 34a_100011220035_100009817552 [0,2,0,0,0,0|1,0,1]=4 6239 B13R1.164 C[C@@H](O)COc1ccc(cc1F)N 7a_100011220035_100009817552 [0,2,0,0,0,0|1,0,1]=4 6240 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Br 34a_100012355227_100009817552 [0,2,0,0,0,0|1,0,1]=4 6241 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Br 7a_100012355227_100009817552 [0,2,0,0,0,0|1,0,1]=4 6242 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Cl 34a_100011356953_100009817552 [0,2,0,0,0,0|1,0,1]=4 6243 B13R1.164 C[C@@H](O)COc1ccc(cc1I)Cl 7a_100011356953_100009817552 [0,2,0,0,0,0|1,0,1]=4 6244 B13R1.164 C[C@@H](O)COc1ccc(cc1I)F 34a_100012355409_100009817552 [0,2,0,0,0,0|1,0,1]=4 6245 B13R1.164 C[C@@H](O)COc1ccc(cc1I)F 7a_100012355409_100009817552 [0,2,0,0,0,0|1,0,1]=4 6246 B13R1.164 C[C@@H](O)COc1ccc(cc1I)I 7a_100010001573_100009817552 [0,2,0,0,0,0|1,0,1]=4 6247 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Br 34a_100000752626_100009817552 [0,2,0,0,0,0|1,0,1]=4 6248 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Br 7a_100000752626_100009817552 [0,2,0,0,0,0|1,0,1]=4 6249 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Cl 34a_100000210500_100009817552 [0,2,0,0,0,0|1,0,1]=4 6250 B13R1.164 C[C@@H](O)COc1ccc(cc1N)Cl 7a_100000210500_100009817552 [0,2,0,0,0,0|1,0,1]=4 6251 B13R1.164 C[C@@H](O)COc1ccc(cc1N)F 34a_100000759472_100009817552 [0,2,0,0,0,0|1,0,1]=4 6252 B13R1.164 C[C@@H](O)COc1ccc(cc1N)F 7a_100000759472_100009817552 [0,2,0,0,0,0|1,0,1]=4 6253 B13R1.164 C[C@@H](O)COc1ccc(cc1N)I 34a_100000753495_100009817552 [0,2,0,0,0,0|1,0,1]=4 6254 B13R1.164 C[C@@H](O)COc1ccc(cc1N)I 7a_100000753495_100009817552 [0,2,0,0,0,0|1,0,1]=4 6255 B13R1.164 C[C@@H](O)COc1ccc(cc1N)N 34a_100000725306_100009817552 [0,2,0,0,0,0|1,0,1]=4 6256 B13R1.164 Cc1cc(=O)c(co1)OCC(=O)N 34a_100000081520_100000187820 [0,2,0,0,0,0|2,0,0]=4 6257 B13R1.164 Cc1cc(=O)c(co1)OCC(=O)[O-] 34a_100000081520_100020667443 [0,2,0,0,0,0|1,0,1]=4 6258 B13R1.164 Cc1cc(c(cn1)OCC(=O)N)Br 34a_100009843476_100000187820 [0,2,0,0,0,0|2,0,0]=4 6259 B13R1.164 Cc1cc(c(cn1)OCC(=O)N)Br 7a_100009843476_100000187820 [0,2,0,0,0,0|2,0,0]=4 6260 B13R1.164 Cc1cc(c(cn1)OCC(=O)N)C 34a_200000068632_100000187820 [0,2,0,0,0,0|2,0,0]=4 6261 B13R1.164 Cc1cc(c(cn1)OCC(=O)N)C 7a_200000068632_100000187820 [0,2,0,0,0,0|2,0,0]=4 6262 B13R1.164 Cc1cc(c(cn1)OCC(=O)[O-])Br 34a_100009843476_100020667443 [0,2,0,0,0,0|1,0,1]=4 6263 B13R1.164 Cc1cc(c(cn1)OCC(=O)[O-])C 34a_200000068632_100020667443 [0,2,0,0,0,0|1,0,1]=4 6264 B13R1.164 Cc1cc(ccc1CCC(=O)[13CH3])F 1458a_100011615716_200025704644 [0,2,0,0,0,0|2,0,0]=4 6265 B13R1.164 Cc1cc(ccc1NCC(=O)N)Br 34a_100000211769_100000187820 [0,2,0,0,0,0|2,0,0]=4 6266 B13R1.164 Cc1cc(ccc1NCC(=O)N)Br 7a_100000211769_100000187820 [0,2,0,0,0,0|2,0,0]=4 6267 B13R1.164 Cc1cc(ccc1NCC(=O)N)Cl 34a_100000210418_100000187820 [0,2,0,0,0,0|2,0,0]=4 6268 B13R1.164 Cc1cc(ccc1NCC(=O)N)Cl 7a_100000210418_100000187820 [0,2,0,0,0,0|2,0,0]=4 6269 B13R1.164 Cc1cc(ccc1NCC(=O)N)F 34a_100000211637_100000187820 [0,2,0,0,0,0|2,0,0]=4 6270 B13R1.164 Cc1cc(ccc1NCC(=O)N)F 7a_100000211637_100000187820 [0,2,0,0,0,0|2,0,0]=4 6271 B13R1.164 Cc1cc(ccc1NCC(=O)N)I 34a_100000184554_100000187820 [0,2,0,0,0,0|2,0,0]=4 6272 B13R1.164 Cc1cc(ccc1NCC(=O)N)I 7a_100000184554_100000187820 [0,2,0,0,0,0|2,0,0]=4 6273 B13R1.164 Cc1cc(ccc1NCC(=O)N)O 34a_100000756630_100000187820 [0,2,0,0,0,0|2,0,0]=4 6274 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])Br 34a_100000211769_100020667443 [0,2,0,0,0,0|1,0,1]=4 6275 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])Cl 34a_100000210418_100020667443 [0,2,0,0,0,0|1,0,1]=4 6276 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])F 34a_100000211637_100020667443 [0,2,0,0,0,0|1,0,1]=4 6277 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])I 34a_100000184554_100020667443 [0,2,0,0,0,0|1,0,1]=4 6278 B13R1.164 Cc1cc(ccc1NCC(=O)[O-])O 34a_100000756630_100020667443 [0,2,0,0,0,0|1,0,1]=4 6279 B13R1.164 Cc1cc(ccc1OCC(=O)N)Br 34a_100000186361_100000187820 [0,2,0,0,0,0|1,0,0]=3 6280 B13R1.164 Cc1cc(ccc1OCC(=O)N)Br 7a_100000186361_100000187820 [0,2,0,0,0,0|1,0,0]=3 6281 B13R1.164 Cc1cc(ccc1OCC(=O)N)Cl 34a_100000211091_100000187820 [0,2,0,0,0,0|1,0,0]=3 6282 B13R1.164 Cc1cc(ccc1OCC(=O)N)Cl 7a_100000211091_100000187820 [0,2,0,0,0,0|1,0,0]=3 6283 B13R1.164 Cc1cc(ccc1OCC(=O)N)F 34a_100000764316_100000187820 [0,2,0,0,0,0|1,0,0]=3 6284 B13R1.164 Cc1cc(ccc1OCC(=O)N)F 7a_100000764316_100000187820 [0,2,0,0,0,0|1,0,0]=3 6285 B13R1.164 Cc1cc(ccc1OCC(=O)N)I 34a_100011218673_100000187820 [0,2,0,0,0,0|1,0,0]=3 6286 B13R1.164 Cc1cc(ccc1OCC(=O)N)I 7a_100011218673_100000187820 [0,2,0,0,0,0|1,0,0]=3 6287 B13R1.164 Cc1cc(ccc1OCC(=O)N)N 34a_100011218179_100000187820 [0,2,0,0,0,0|1,0,0]=3 6288 B13R1.164 Cc1cc(ccc1OCC(=O)N)N 7a_100011218179_100000187820 [0,2,0,0,0,0|1,0,0]=3 6289 B13R1.164 Cc1cc(ccc1OCC(=O)[13CH3])Cl 1458a_100000182498_200025704644 [0,2,0,0,0,0|1,0,0]=3 6290 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])Br 34a_100000186361_100020667443 [0,2,0,0,0,0|0,0,1]=3 6291 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])Cl 34a_100000211091_100020667443 [0,2,0,0,0,0|0,0,1]=3 6292 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])F 34a_100000764316_100020667443 [0,2,0,0,0,0|0,0,1]=3 6293 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])I 34a_100011218673_100020667443 [0,2,0,0,0,0|0,0,1]=3 6294 B13R1.164 Cc1cc(ccc1OCC(=O)[O-])N 34a_100011218179_100020667443 [0,2,0,0,0,0|0,0,1]=3 6295 B13R1.164 Cc1cc(ccc1OCC(C)O)Br 34a_100000186361_100011218427 [0,2,0,0,0,0|1,0,1]=4 6296 B13R1.164 Cc1cc(ccc1OCC(C)O)Br 7a_100000186361_100011218427 [0,2,0,0,0,0|1,0,1]=4 6297 B13R1.164 Cc1cc(ccc1OCC(C)O)Cl 34a_100000211091_100011218427 [0,2,0,0,0,0|1,0,1]=4 6298 B13R1.164 Cc1cc(ccc1OCC(C)O)Cl 7a_100000211091_100011218427 [0,2,0,0,0,0|1,0,1]=4 6299 B13R1.164 Cc1cc(ccc1OCC(C)O)F 34a_100000764316_100011218427 [0,2,0,0,0,0|1,0,1]=4 6300 B13R1.164 Cc1cc(ccc1OCC(C)O)F 7a_100000764316_100011218427 [0,2,0,0,0,0|1,0,1]=4 6301 B13R1.164 Cc1cc(ccc1OCC(C)O)I 34a_100011218673_100011218427 [0,2,0,0,0,0|1,0,1]=4 6302 B13R1.164 Cc1cc(ccc1OCC(C)O)I 7a_100011218673_100011218427 [0,2,0,0,0,0|1,0,1]=4 6303 B13R1.164 Cc1cc(ccc1OCC(C)O)N 34a_100011218179_100011218427 [0,2,0,0,0,0|1,0,1]=4 6304 B13R1.164 Cc1cc(ccc1OCC(C)O)N 7a_100011218179_100011218427 [0,2,0,0,0,0|1,0,1]=4 6305 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Br 34a_100000186361_100009817552 [0,2,0,0,0,0|1,0,1]=4 6306 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Br 7a_100000186361_100009817552 [0,2,0,0,0,0|1,0,1]=4 6307 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Cl 34a_100000211091_100009817552 [0,2,0,0,0,0|1,0,1]=4 6308 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)Cl 7a_100000211091_100009817552 [0,2,0,0,0,0|1,0,1]=4 6309 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)F 34a_100000764316_100009817552 [0,2,0,0,0,0|1,0,1]=4 6310 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)F 7a_100000764316_100009817552 [0,2,0,0,0,0|1,0,1]=4 6311 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)I 34a_100011218673_100009817552 [0,2,0,0,0,0|1,0,1]=4 6312 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)I 7a_100011218673_100009817552 [0,2,0,0,0,0|1,0,1]=4 6313 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)N 34a_100011218179_100009817552 [0,2,0,0,0,0|1,0,1]=4 6314 B13R1.164 Cc1cc(ccc1OC[C@@H](C)O)N 7a_100011218179_100009817552 [0,2,0,0,0,0|1,0,1]=4 6315 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])Br 34a_100000186361_100000761209 [0,2,0,0,0,0|1,0,1]=4 6316 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])Cl 34a_100000211091_100000761209 [0,2,0,0,0,0|1,0,1]=4 6317 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])F 34a_100000764316_100000761209 [0,2,0,0,0,0|1,0,1]=4 6318 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])I 34a_100011218673_100000761209 [0,2,0,0,0,0|1,0,1]=4 6319 B13R1.164 Cc1cc(ccc1OC[N+](=O)[O-])N 34a_100011218179_100000761209 [0,2,0,0,0,0|1,0,1]=4 6320 B13R1.164 Cc1cc(ccc1SCC(=O)N)Br 62a_100000701812_100000747473 [0,2,0,0,0,0|1,1,0]=4 6321 B13R1.164 Cc1cc(ccc1SCC(=O)N)Br 62a_100000747473_100000701812 [0,2,0,0,0,0|1,1,0]=4 6322 B13R1.164 Cc1cc(ccc1SCC(=O)N)Cl 62a_100000747473_100011219607 [0,2,0,0,0,0|1,1,0]=4 6323 B13R1.164 Cc1cc(ccc1SCC(=O)N)Cl 62a_100011219607_100000747473 [0,2,0,0,0,0|1,1,0]=4 6324 B13R1.164 Cc1cc(ccc1SCC(=O)N)F 62a_100000747473_100011205405 [0,2,0,0,0,0|1,1,0]=4 6325 B13R1.164 Cc1cc(ccc1SCC(=O)N)F 62a_100011205405_100000747473 [0,2,0,0,0,0|1,1,0]=4 6326 B13R1.164 Cc1cc(ccc1SCC(=O)N)N 62a_100000210723_100000747473 [0,2,0,0,0,0|1,1,0]=4 6327 B13R1.164 Cc1cc(ccc1SCC(=O)N)N 62a_100000747473_100000210723 [0,2,0,0,0,0|1,1,0]=4 6328 B13R1.164 Cc1cc(ccc1SCC(=O)N)O 62a_100000747473_100000690111 [0,2,0,0,0,0|1,1,0]=4 6329 B13R1.164 Cc1cc(ccc1SCC(=O)[13CH3])Br 1458a_100000679851_200025704644 [0,2,0,0,0,0|1,1,0]=4 6330 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])Br 62a_100000701812_100020667443 [0,2,0,0,0,0|0,1,1]=4 6331 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])Br 62a_100020667443_100000701812 [0,2,0,0,0,0|0,1,1]=4 6332 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])Cl 62a_100011219607_100020667443 [0,2,0,0,0,0|0,1,1]=4 6333 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])Cl 62a_100020667443_100011219607 [0,2,0,0,0,0|0,1,1]=4 6334 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])F 62a_100011205405_100020667443 [0,2,0,0,0,0|0,1,1]=4 6335 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])F 62a_100020667443_100011205405 [0,2,0,0,0,0|0,1,1]=4 6336 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])N 62a_100000210723_100020667443 [0,2,0,0,0,0|0,1,1]=4 6337 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])N 62a_100020667443_100000210723 [0,2,0,0,0,0|0,1,1]=4 6338 B13R1.164 Cc1cc(ccc1SCC(=O)[O-])O 62a_100020667443_100000690111 [0,2,0,0,0,0|0,1,1]=4 6339 B13R1.164 Cc1cc(cnc1OCC(=O)N)Br 34a_100000685391_100000187820 [0,2,0,0,0,0|2,0,0]=4 6340 B13R1.164 Cc1cc(cnc1OCC(=O)[O-])Br 34a_100000685391_100020667443 [0,2,0,0,0,0|1,0,1]=4 6341 B13R1.164 Cc1cc(ncc1OCC(=O)N)Cl 34a_100000692680_100000187820 [0,2,0,0,0,0|2,0,0]=4 6342 B13R1.164 Cc1cc(ncc1OCC(=O)N)Cl 7a_100000692680_100000187820 [0,2,0,0,0,0|2,0,0]=4 6343 B13R1.164 Cc1cc(ncc1OCC(=O)N)F 34a_100009856773_100000187820 [0,2,0,0,0,0|2,0,0]=4 6344 B13R1.164 Cc1cc(ncc1OCC(=O)N)F 7a_100009856773_100000187820 [0,2,0,0,0,0|2,0,0]=4 6345 B13R1.164 Cc1cc(ncc1OCC(=O)[O-])Cl 34a_100000692680_100020667443 [0,2,0,0,0,0|1,0,1]=4 6346 B13R1.164 Cc1cc(ncc1OCC(=O)[O-])F 34a_100009856773_100020667443 [0,2,0,0,0,0|1,0,1]=4 6347 B13R1.164 Cc1ccc(c(c1)Br)NCC(=O)N 34a_100000210942_100000187820 [0,2,0,0,0,0|2,0,0]=4 6348 B13R1.164 Cc1ccc(c(c1)Br)NCC(=O)[O-] 34a_100000210942_100020667443 [0,2,0,0,0,0|1,0,1]=4 6349 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)N 34a_100000210800_100000187820 [0,2,0,0,0,0|1,0,0]=3 6350 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)N 7a_100000210800_100000187820 [0,2,0,0,0,0|1,0,0]=3 6351 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)[13CH3] 1458a_100000186371_200025704644 [0,2,0,0,0,0|1,0,0]=3 6352 B13R1.164 Cc1ccc(c(c1)Br)OCC(=O)[O-] 34a_100000210800_100020667443 [0,2,0,0,0,0|0,0,1]=3 6353 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)O 34a_100000210800_100011218427 [0,2,0,0,0,0|1,0,1]=4 6354 B13R1.164 Cc1ccc(c(c1)Br)OCC(C)O 7a_100000210800_100011218427 [0,2,0,0,0,0|1,0,1]=4 6355 B13R1.164 Cc1ccc(c(c1)Br)OC[C@@H](C)O 34a_100000210800_100009817552 [0,2,0,0,0,0|1,0,1]=4 6356 B13R1.164 Cc1ccc(c(c1)Br)OC[C@@H](C)O 7a_100000210800_100009817552 [0,2,0,0,0,0|1,0,1]=4 6357 B13R1.164 Cc1ccc(c(c1)Br)OC[N+](=O)[O-] 34a_100000210800_100000761209 [0,2,0,0,0,0|1,0,1]=4 6358 B13R1.164 Cc1ccc(c(c1)Br)SCC(=O)N 62a_100000747473_100009813563 [0,2,0,0,0,0|1,1,0]=4 6359 B13R1.164 Cc1ccc(c(c1)Br)SCC(=O)N 62a_100009813563_100000747473 [0,2,0,0,0,0|1,1,0]=4 6360 B13R1.164 Cc1ccc(c(c1)Br)SCC(=O)[O-] 62a_100009813563_100020667443 [0,2,0,0,0,0|0,1,1]=4 6361 B13R1.164 Cc1ccc(c(c1)Br)SCC(=O)[O-] 62a_100020667443_100009813563 [0,2,0,0,0,0|0,1,1]=4 6362 B13R1.164 Cc1ccc(c(c1)C)CCC(=O)[13CH3] 1458a_100000239910_200025704644 [0,2,0,0,0,0|2,0,0]=4 6363 B13R1.164 Cc1ccc(c(c1)C)NCC(=O)N 34a_100000736561_100000187820 [0,2,0,0,0,0|2,0,0]=4 6364 B13R1.164 Cc1ccc(c(c1)C)NCC(=O)N 7a_100000736561_100000187820 [0,2,0,0,0,0|2,0,0]=4 6365 B13R1.164 Cc1ccc(c(c1)C)NCC(=O)[O-] 34a_100000736561_100020667443 [0,2,0,0,0,0|1,0,1]=4 6366 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)N 34a_100000211776_100000187820 [0,2,0,0,0,0|1,0,0]=3 6367 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)N 7a_100000211776_100000187820 [0,2,0,0,0,0|1,0,0]=3 6368 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)[13CH3] 1458a_200000185146_200025704644 [0,2,0,0,0,0|1,0,0]=3 6369 B13R1.164 Cc1ccc(c(c1)C)OCC(=O)[O-] 34a_100000211776_100020667443 [0,2,0,0,0,0|0,0,1]=3 6370 B13R1.164 Cc1ccc(c(c1)C)OCC(C)O 34a_100000211776_100011218427 [0,2,0,0,0,0|1,0,1]=4 6371 B13R1.164 Cc1ccc(c(c1)C)OCC(C)O 7a_100000211776_100011218427 [0,2,0,0,0,0|1,0,1]=4 6372 B13R1.164 Cc1ccc(c(c1)C)OC[C@@H](C)O 34a_100000211776_100009817552 [0,2,0,0,0,0|1,0,1]=4 6373 B13R1.164 Cc1ccc(c(c1)C)OC[C@@H](C)O 7a_100000211776_100009817552 [0,2,0,0,0,0|1,0,1]=4 6374 B13R1.164 Cc1ccc(c(c1)C)OC[N+](=O)[O-] 34a_100000211776_100000761209 [0,2,0,0,0,0|1,0,1]=4 6375 B13R1.164 Cc1ccc(c(c1)C)SCC(=O)N 62a_100000747473_100011217332 [0,2,0,0,0,0|1,1,0]=4 6376 B13R1.164 Cc1ccc(c(c1)C)SCC(=O)N 62a_100011217332_100000747473 [0,2,0,0,0,0|1,1,0]=4 6377 B13R1.164 Cc1ccc(c(c1)C)SCC(=O)[O-] 62a_100011217332_100020667443 [0,2,0,0,0,0|0,1,1]=4 6378 B13R1.164 Cc1ccc(c(c1)C)SCC(=O)[O-] 62a_100020667443_100011217332 [0,2,0,0,0,0|0,1,1]=4 6379 B13R1.164 Cc1ccc(c(c1)Cl)NCC(=O)N 34a_100000210522_100000187820 [0,2,0,0,0,0|2,0,0]=4 6380 B13R1.164 Cc1ccc(c(c1)Cl)NCC(=O)[O-] 34a_100000210522_100020667443 [0,2,0,0,0,0|1,0,1]=4 6381 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)N 34a_100000749699_100000187820 [0,2,0,0,0,0|1,0,0]=3 6382 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)N 7a_100000749699_100000187820 [0,2,0,0,0,0|1,0,0]=3 6383 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)[13CH3] 1458a_200011725833_200025704644 [0,2,0,0,0,0|1,0,0]=3 6384 B13R1.164 Cc1ccc(c(c1)Cl)OCC(=O)[O-] 34a_100000749699_100020667443 [0,2,0,0,0,0|0,0,1]=3 6385 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)O 34a_100000749699_100011218427 [0,2,0,0,0,0|1,0,1]=4 6386 B13R1.164 Cc1ccc(c(c1)Cl)OCC(C)O 7a_100000749699_100011218427 [0,2,0,0,0,0|1,0,1]=4 6387 B13R1.164 Cc1ccc(c(c1)Cl)OC[C@@H](C)O 34a_100000749699_100009817552 [0,2,0,0,0,0|1,0,1]=4 6388 B13R1.164 Cc1ccc(c(c1)Cl)OC[C@@H](C)O 7a_100000749699_100009817552 [0,2,0,0,0,0|1,0,1]=4 6389 B13R1.164 Cc1ccc(c(c1)Cl)OC[N+](=O)[O-] 34a_100000749699_100000761209 [0,2,0,0,0,0|1,0,1]=4 6390 B13R1.164 Cc1ccc(c(c1)Cl)SCC(=O)N 62a_100000747473_100011263221 [0,2,0,0,0,0|1,1,0]=4 6391 B13R1.164 Cc1ccc(c(c1)Cl)SCC(=O)N 62a_100011263221_100000747473 [0,2,0,0,0,0|1,1,0]=4 6392 B13R1.164 Cc1ccc(c(c1)Cl)SCC(=O)[O-] 62a_100011263221_100020667443 [0,2,0,0,0,0|0,1,1]=4 6393 B13R1.164 Cc1ccc(c(c1)Cl)SCC(=O)[O-] 62a_100020667443_100011263221 [0,2,0,0,0,0|0,1,1]=4 6394 B13R1.164 Cc1ccc(c(c1)F)CCC(=O)[13CH3] 1458a_100000061718_200025704644 [0,2,0,0,0,0|2,0,0]=4 6395 B13R1.164 Cc1ccc(c(c1)F)NCC(=O)N 34a_100000211023_100000187820 [0,2,0,0,0,0|2,0,0]=4 6396 B13R1.164 Cc1ccc(c(c1)F)NCC(=O)[O-] 34a_100000211023_100020667443 [0,2,0,0,0,0|1,0,1]=4 6397 B13R1.164 Cc1ccc(c(c1)F)OCC(=O)N 34a_100011216688_100000187820 [0,2,0,0,0,0|1,0,0]=3 6398 B13R1.164 Cc1ccc(c(c1)F)OCC(=O)N 7a_100011216688_100000187820 [0,2,0,0,0,0|1,0,0]=3 6399 B13R1.164 Cc1ccc(c(c1)F)OCC(=O)[O-] 34a_100011216688_100020667443 [0,2,0,0,0,0|0,0,1]=3 6400 B13R1.164 Cc1ccc(c(c1)F)OCC(C)O 34a_100011216688_100011218427 [0,2,0,0,0,0|1,0,1]=4 6401 B13R1.164 Cc1ccc(c(c1)F)OCC(C)O 7a_100011216688_100011218427 [0,2,0,0,0,0|1,0,1]=4 6402 B13R1.164 Cc1ccc(c(c1)F)OC[C@@H](C)O 34a_100011216688_100009817552 [0,2,0,0,0,0|1,0,1]=4 6403 B13R1.164 Cc1ccc(c(c1)F)OC[C@@H](C)O 7a_100011216688_100009817552 [0,2,0,0,0,0|1,0,1]=4 6404 B13R1.164 Cc1ccc(c(c1)F)OC[N+](=O)[O-] 34a_100011216688_100000761209 [0,2,0,0,0,0|1,0,1]=4 6405 B13R1.164 Cc1ccc(c(c1)F)SCC(=O)N 62a_100000747473_100011216119 [0,2,0,0,0,0|1,1,0]=4 6406 B13R1.164 Cc1ccc(c(c1)F)SCC(=O)N 62a_100011216119_100000747473 [0,2,0,0,0,0|1,1,0]=4 6407 B13R1.164 Cc1ccc(c(c1)F)SCC(=O)[O-] 62a_100011216119_100020667443 [0,2,0,0,0,0|0,1,1]=4 6408 B13R1.164 Cc1ccc(c(c1)F)SCC(=O)[O-] 62a_100020667443_100011216119 [0,2,0,0,0,0|0,1,1]=4 6409 B13R1.164 Cc1ccc(c(c1)I)NCC(=O)N 34a_100011356834_100000187820 [0,2,0,0,0,0|2,0,0]=4 6410 B13R1.164 Cc1ccc(c(c1)I)NCC(=O)[O-] 34a_100011356834_100020667443 [0,2,0,0,0,0|1,0,1]=4 6411 B13R1.164 Cc1ccc(c(c1)I)OCC(=O)N 34a_100000765521_100000187820 [0,2,0,0,0,0|1,0,0]=3 6412 B13R1.164 Cc1ccc(c(c1)I)OCC(=O)N 7a_100000765521_100000187820 [0,2,0,0,0,0|1,0,0]=3 6413 B13R1.164 Cc1ccc(c(c1)I)OCC(=O)[O-] 34a_100000765521_100020667443 [0,2,0,0,0,0|0,0,1]=3 6414 B13R1.164 Cc1ccc(c(c1)I)OCC(C)O 34a_100000765521_100011218427 [0,2,0,0,0,0|1,0,1]=4 6415 B13R1.164 Cc1ccc(c(c1)I)OCC(C)O 7a_100000765521_100011218427 [0,2,0,0,0,0|1,0,1]=4 6416 B13R1.164 Cc1ccc(c(c1)I)OC[C@@H](C)O 34a_100000765521_100009817552 [0,2,0,0,0,0|1,0,1]=4 6417 B13R1.164 Cc1ccc(c(c1)I)OC[C@@H](C)O 7a_100000765521_100009817552 [0,2,0,0,0,0|1,0,1]=4 6418 B13R1.164 Cc1ccc(c(c1)I)OC[N+](=O)[O-] 34a_100000765521_100000761209 [0,2,0,0,0,0|1,0,1]=4 6419 B13R1.164 Cc1ccc(c(c1)N)OCC(=O)N 34a_100011215204_100000187820 [0,2,0,0,0,0|1,0,0]=3 6420 B13R1.164 Cc1ccc(c(c1)N)OCC(=O)N 7a_100011215204_100000187820 [0,2,0,0,0,0|1,0,0]=3 6421 B13R1.164 Cc1ccc(c(c1)N)OCC(=O)[O-] 34a_100011215204_100020667443 [0,2,0,0,0,0|0,0,1]=3 6422 B13R1.164 Cc1ccc(c(c1)N)OCC(C)O 34a_100011215204_100011218427 [0,2,0,0,0,0|1,0,1]=4 6423 B13R1.164 Cc1ccc(c(c1)N)OCC(C)O 7a_100011215204_100011218427 [0,2,0,0,0,0|1,0,1]=4 6424 B13R1.164 Cc1ccc(c(c1)N)OC[C@@H](C)O 34a_100011215204_100009817552 [0,2,0,0,0,0|1,0,1]=4 6425 B13R1.164 Cc1ccc(c(c1)N)OC[C@@H](C)O 7a_100011215204_100009817552 [0,2,0,0,0,0|1,0,1]=4 6426 B13R1.164 Cc1ccc(c(c1)N)OC[N+](=O)[O-] 34a_100011215204_100000761209 [0,2,0,0,0,0|1,0,1]=4 6427 B13R1.164 Cc1ccc(c(c1)N)SCC(=O)N 62a_100000747473_100011216686 [0,2,0,0,0,0|1,1,0]=4 6428 B13R1.164 Cc1ccc(c(c1)N)SCC(=O)N 62a_100011216686_100000747473 [0,2,0,0,0,0|1,1,0]=4 6429 B13R1.164 Cc1ccc(c(c1)N)SCC(=O)[O-] 62a_100011216686_100020667443 [0,2,0,0,0,0|0,1,1]=4 6430 B13R1.164 Cc1ccc(c(c1)N)SCC(=O)[O-] 62a_100020667443_100011216686 [0,2,0,0,0,0|0,1,1]=4 6431 B13R1.164 Cc1ccc(c(c1)O)NCC(=O)N 34a_100000211527_100000187820 [0,2,0,0,0,0|2,0,0]=4 6432 B13R1.164 Cc1ccc(c(c1)O)NCC(=O)[O-] 34a_100000211527_100020667443 [0,2,0,0,0,0|1,0,1]=4 6433 B13R1.164 Cc1ccc(c(c1)O)OCC(=O)N 271570a_203496583355_200000148664 [0,2,0,0,0,0|1,0,0]=3 6434 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)N 62a_100000747473_100012002257 [0,2,0,0,0,0|1,1,0]=4 6435 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)N 62a_100012002257_100000747473 [0,2,0,0,0,0|1,1,0]=4 6436 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)[O-] 62a_100012002257_100020667443 [0,2,0,0,0,0|0,1,1]=4 6437 B13R1.164 Cc1ccc(c(c1)O)SCC(=O)[O-] 62a_100020667443_100012002257 [0,2,0,0,0,0|0,1,1]=4 6438 B13R1.164 Cc1ccc(c(n1)Br)OCC(=O)N 34a_100000702858_100000187820 [0,2,0,0,0,0|2,0,0]=4 6439 B13R1.164 Cc1ccc(c(n1)Br)OCC(=O)N 7a_100000702858_100000187820 [0,2,0,0,0,0|2,0,0]=4 6440 B13R1.164 Cc1ccc(c(n1)Br)OCC(=O)[O-] 34a_100000702858_100020667443 [0,2,0,0,0,0|1,0,1]=4 6441 B13R1.164 Cc1ccc(c(n1)C)OCC(=O)N 34a_100011218912_100000187820 [0,2,0,0,0,0|2,0,0]=4 6442 B13R1.164 Cc1ccc(c(n1)C)OCC(=O)N 7a_100011218912_100000187820 [0,2,0,0,0,0|2,0,0]=4 6443 B13R1.164 Cc1ccc(c(n1)C)OCC(=O)[O-] 34a_100011218912_100020667443 [0,2,0,0,0,0|1,0,1]=4 6444 B13R1.164 Cc1ccc(c(n1)Cl)OCC(=O)N 34a_100000086286_100000187820 [0,2,0,0,0,0|2,0,0]=4 6445 B13R1.164 Cc1ccc(c(n1)Cl)OCC(=O)N 7a_100000086286_100000187820 [0,2,0,0,0,0|2,0,0]=4 6446 B13R1.164 Cc1ccc(c(n1)Cl)OCC(=O)[O-] 34a_100000086286_100020667443 [0,2,0,0,0,0|1,0,1]=4 6447 B13R1.164 Cc1ccc(c(n1)F)OCC(=O)N 34a_100000079963_100000187820 [0,2,0,0,0,0|2,0,0]=4 6448 B13R1.164 Cc1ccc(c(n1)F)OCC(=O)N 7a_100000079963_100000187820 [0,2,0,0,0,0|2,0,0]=4 6449 B13R1.164 Cc1ccc(c(n1)F)OCC(=O)[O-] 34a_100000079963_100020667443 [0,2,0,0,0,0|1,0,1]=4 6450 B13R1.164 Cc1ccc(c(n1)I)OCC(=O)N 34a_100000023897_100000187820 [0,2,0,0,0,0|2,0,0]=4 6451 B13R1.164 Cc1ccc(c(n1)I)OCC(=O)N 7a_100000023897_100000187820 [0,2,0,0,0,0|2,0,0]=4 6452 B13R1.164 Cc1ccc(c(n1)I)OCC(=O)[O-] 34a_100000023897_100020667443 [0,2,0,0,0,0|1,0,1]=4 6453 B13R1.164 Cc1ccc(c(n1)N)OCC(=O)N 34a_100000694039_100000187820 [0,2,0,0,0,0|2,0,0]=4 6454 B13R1.164 Cc1ccc(c(n1)N)OCC(=O)N 7a_100000694039_100000187820 [0,2,0,0,0,0|2,0,0]=4 6455 B13R1.164 Cc1ccc(c(n1)N)OCC(=O)[O-] 34a_100000694039_100020667443 [0,2,0,0,0,0|1,0,1]=4 6456 B13R1.164 Cc1cnc(c(c1)Br)OCC(=O)N 34a_100000719714_100000187820 [0,2,0,0,0,0|2,0,0]=4 6457 B13R1.164 Cc1cnc(c(c1)Br)OCC(=O)[O-] 34a_100000719714_100020667443 [0,2,0,0,0,0|1,0,1]=4 6458 B13R1.164 Cc1cnc(c(c1)N)OCC(=O)N 34a_100012000488_100000187820 [0,2,0,0,0,0|2,0,0]=4 6459 B13R1.164 Cc1cnc(c(c1)N)OCC(=O)[O-] 34a_100012000488_100020667443 [0,2,0,0,0,0|1,0,1]=4 6460 B13R1.164 Cc1nc(ccc1OCC(=O)N)Br 34a_100012002022_100000187820 [0,2,0,0,0,0|2,0,0]=4 6461 B13R1.164 Cc1nc(ccc1OCC(=O)N)Br 7a_100012002022_100000187820 [0,2,0,0,0,0|2,0,0]=4 6462 B13R1.164 Cc1nc(ccc1OCC(=O)N)Cl 34a_100012184626_100000187820 [0,2,0,0,0,0|2,0,0]=4 6463 B13R1.164 Cc1nc(ccc1OCC(=O)N)Cl 7a_100012184626_100000187820 [0,2,0,0,0,0|2,0,0]=4 6464 B13R1.164 Cc1nc(ccc1OCC(=O)N)F 34a_100009881036_100000187820 [0,2,0,0,0,0|2,0,0]=4 6465 B13R1.164 Cc1nc(ccc1OCC(=O)N)F 7a_100009881036_100000187820 [0,2,0,0,0,0|2,0,0]=4 6466 B13R1.164 Cc1nc(ccc1OCC(=O)N)I 34a_100010233687_100000187820 [0,2,0,0,0,0|2,0,0]=4 6467 B13R1.164 Cc1nc(ccc1OCC(=O)N)I 7a_100010233687_100000187820 [0,2,0,0,0,0|2,0,0]=4 6468 B13R1.164 Cc1nc(ccc1OCC(=O)[O-])Br 34a_100012002022_100020667443 [0,2,0,0,0,0|1,0,1]=4 6469 B13R1.164 Cc1nc(ccc1OCC(=O)[O-])Cl 34a_100012184626_100020667443 [0,2,0,0,0,0|1,0,1]=4 6470 B13R1.164 Cc1nc(ccc1OCC(=O)[O-])F 34a_100009881036_100020667443 [0,2,0,0,0,0|1,0,1]=4 6471 B13R1.164 Cc1nc(ccc1OCC(=O)[O-])I 34a_100010233687_100020667443 [0,2,0,0,0,0|1,0,1]=4 6472 B13R1.164 NC(=O)CNc1ccc(cc1Br)Br 34a_100000211012_100000187820 [0,2,0,0,0,0|2,0,0]=4 6473 B13R1.164 NC(=O)CNc1ccc(cc1Br)Cl 34a_100000752454_100000187820 [0,2,0,0,0,0|2,0,0]=4 6474 B13R1.164 NC(=O)CNc1ccc(cc1Br)F 34a_100000738039_100000187820 [0,2,0,0,0,0|2,0,0]=4 6475 B13R1.164 NC(=O)CNc1ccc(cc1Br)O 34a_100012001276_100000187820 [0,2,0,0,0,0|2,0,0]=4 6476 B13R1.164 NC(=O)CNc1ccc(cc1Cl)Br 34a_100000211467_100000187820 [0,2,0,0,0,0|2,0,0]=4 6477 B13R1.164 NC(=O)CNc1ccc(cc1Cl)Cl 34a_100000185861_100000187820 [0,2,0,0,0,0|2,0,0]=4 6478 B13R1.164 NC(=O)CNc1ccc(cc1Cl)F 34a_100000212003_100000187820 [0,2,0,0,0,0|2,0,0]=4 6479 B13R1.164 NC(=O)CNc1ccc(cc1Cl)I 34a_100011218065_100000187820 [0,2,0,0,0,0|2,0,0]=4 6480 B13R1.164 NC(=O)CNc1ccc(cc1Cl)O 34a_100011215599_100000187820 [0,2,0,0,0,0|2,0,0]=4 6481 B13R1.164 NC(=O)CNc1ccc(cc1F)Br 34a_100000210722_100000187820 [0,2,0,0,0,0|2,0,0]=4 6482 B13R1.164 NC(=O)CNc1ccc(cc1F)Cl 34a_100000211020_100000187820 [0,2,0,0,0,0|2,0,0]=4 6483 B13R1.164 NC(=O)CNc1ccc(cc1F)F 34a_100000210720_100000187820 [0,2,0,0,0,0|2,0,0]=4 6484 B13R1.164 NC(=O)CNc1ccc(cc1F)I 34a_100011215594_100000187820 [0,2,0,0,0,0|2,0,0]=4 6485 B13R1.164 NC(=O)CNc1ccc(cc1F)O 34a_100000759473_100000187820 [0,2,0,0,0,0|2,0,0]=4 6486 B13R1.164 NC(=O)CNc1ccc(cc1I)Br 34a_100000187925_100000187820 [0,2,0,0,0,0|2,0,0]=4 6487 B13R1.164 NC(=O)CNc1ccc(cc1I)Cl 34a_100000761889_100000187820 [0,2,0,0,0,0|2,0,0]=4 6488 B13R1.164 NC(=O)CNc1ccc(cc1I)F 34a_100000760547_100000187820 [0,2,0,0,0,0|2,0,0]=4 6489 B13R1.164 NC(=O)CNc1ccc(cc1I)O 34a_100010084370_100000187820 [0,2,0,0,0,0|2,0,0]=4 6490 B13R1.164 NC(=O)CNc1ccc(cc1O)Br 34a_100000739049_100000187820 [0,2,0,0,0,0|2,0,0]=4 6491 B13R1.164 NC(=O)CNc1ccc(cc1O)Cl 34a_100000185728_100000187820 [0,2,0,0,0,0|2,0,0]=4 6492 B13R1.164 NC(=O)CNc1ccc(cc1O)F 34a_100000753323_100000187820 [0,2,0,0,0,0|2,0,0]=4 6493 B13R1.164 NC(=O)CNc1ccc(cc1O)O 34a_100000106777_100000187820 [0,2,0,0,0,0|2,0,0]=4 6494 B13R1.164 NC(=O)COc1ccc(cc1Br)Br 34a_100000188717_100000187820 [0,2,0,0,0,0|1,0,0]=3 6495 B13R1.164 NC(=O)COc1ccc(cc1Br)Br 7a_100000188717_100000187820 [0,2,0,0,0,0|1,0,0]=3 6496 B13R1.164 NC(=O)COc1ccc(cc1Br)Cl 34a_100000211998_100000187820 [0,2,0,0,0,0|1,0,0]=3 6497 B13R1.164 NC(=O)COc1ccc(cc1Br)Cl 7a_100000211998_100000187820 [0,2,0,0,0,0|1,0,0]=3 6498 B13R1.164 NC(=O)COc1ccc(cc1Br)F 34a_100000211999_100000187820 [0,2,0,0,0,0|1,0,0]=3 6499 B13R1.164 NC(=O)COc1ccc(cc1Br)F 7a_100000211999_100000187820 [0,2,0,0,0,0|1,0,0]=3 6500 B13R1.164 NC(=O)COc1ccc(cc1Br)I 34a_100012361655_100000187820 [0,2,0,0,0,0|1,0,0]=3 6501 B13R1.164 NC(=O)COc1ccc(cc1Br)I 7a_100012361655_100000187820 [0,2,0,0,0,0|1,0,0]=3 6502 B13R1.164 NC(=O)COc1ccc(cc1Br)N 34a_100011534360_100000187820 [0,2,0,0,0,0|1,0,0]=3 6503 B13R1.164 NC(=O)COc1ccc(cc1Br)N 7a_100011534360_100000187820 [0,2,0,0,0,0|1,0,0]=3 6504 B13R1.164 NC(=O)COc1ccc(cc1Cl)Br 34a_100000186472_100000187820 [0,2,0,0,0,0|1,0,0]=3 6505 B13R1.164 NC(=O)COc1ccc(cc1Cl)Br 7a_100000186472_100000187820 [0,2,0,0,0,0|1,0,0]=3 6506 B13R1.164 NC(=O)COc1ccc(cc1Cl)Cl 34a_100015191787_100000187820 [0,2,0,0,0,0|1,0,0]=3 6507 B13R1.164 NC(=O)COc1ccc(cc1Cl)Cl 7a_100015191787_100000187820 [0,2,0,0,0,0|1,0,0]=3 6508 B13R1.164 NC(=O)COc1ccc(cc1Cl)F 34a_100000212004_100000187820 [0,2,0,0,0,0|1,0,0]=3 6509 B13R1.164 NC(=O)COc1ccc(cc1Cl)F 7a_100000212004_100000187820 [0,2,0,0,0,0|1,0,0]=3 6510 B13R1.164 NC(=O)COc1ccc(cc1Cl)I 34a_100012360047_100000187820 [0,2,0,0,0,0|1,0,0]=3 6511 B13R1.164 NC(=O)COc1ccc(cc1Cl)I 7a_100012360047_100000187820 [0,2,0,0,0,0|1,0,0]=3 6512 B13R1.164 NC(=O)COc1ccc(cc1Cl)N 34a_100000744943_100000187820 [0,2,0,0,0,0|1,0,0]=3 6513 B13R1.164 NC(=O)COc1ccc(cc1Cl)N 7a_100000744943_100000187820 [0,2,0,0,0,0|1,0,0]=3 6514 B13R1.164 NC(=O)COc1ccc(cc1F)Br 34a_100000185481_100000187820 [0,2,0,0,0,0|1,0,0]=3 6515 B13R1.164 NC(=O)COc1ccc(cc1F)Br 7a_100000185481_100000187820 [0,2,0,0,0,0|1,0,0]=3 6516 B13R1.164 NC(=O)COc1ccc(cc1F)Cl 34a_100000230166_100000187820 [0,2,0,0,0,0|1,0,0]=3 6517 B13R1.164 NC(=O)COc1ccc(cc1F)Cl 7a_100000230166_100000187820 [0,2,0,0,0,0|1,0,0]=3 6518 B13R1.164 NC(=O)COc1ccc(cc1F)F 34a_100000230127_100000187820 [0,2,0,0,0,0|1,0,0]=3 6519 B13R1.164 NC(=O)COc1ccc(cc1F)F 7a_100000230127_100000187820 [0,2,0,0,0,0|1,0,0]=3 6520 B13R1.164 NC(=O)COc1ccc(cc1F)I 34a_100011356965_100000187820 [0,2,0,0,0,0|1,0,0]=3 6521 B13R1.164 NC(=O)COc1ccc(cc1F)I 7a_100011356965_100000187820 [0,2,0,0,0,0|1,0,0]=3 6522 B13R1.164 NC(=O)COc1ccc(cc1F)N 34a_100011220035_100000187820 [0,2,0,0,0,0|1,0,0]=3 6523 B13R1.164 NC(=O)COc1ccc(cc1F)N 7a_100011220035_100000187820 [0,2,0,0,0,0|1,0,0]=3 6524 B13R1.164 NC(=O)COc1ccc(cc1I)Br 34a_100012355227_100000187820 [0,2,0,0,0,0|1,0,0]=3 6525 B13R1.164 NC(=O)COc1ccc(cc1I)Br 7a_100012355227_100000187820 [0,2,0,0,0,0|1,0,0]=3 6526 B13R1.164 NC(=O)COc1ccc(cc1I)Cl 34a_100011356953_100000187820 [0,2,0,0,0,0|1,0,0]=3 6527 B13R1.164 NC(=O)COc1ccc(cc1I)Cl 7a_100011356953_100000187820 [0,2,0,0,0,0|1,0,0]=3 6528 B13R1.164 NC(=O)COc1ccc(cc1I)F 34a_100012355409_100000187820 [0,2,0,0,0,0|1,0,0]=3 6529 B13R1.164 NC(=O)COc1ccc(cc1I)F 7a_100012355409_100000187820 [0,2,0,0,0,0|1,0,0]=3 6530 B13R1.164 NC(=O)COc1ccc(cc1I)I 7a_100010001573_100000187820 [0,2,0,0,0,0|1,0,0]=3 6531 B13R1.164 NC(=O)COc1ccc(cc1N)Br 34a_100000752626_100000187820 [0,2,0,0,0,0|1,0,0]=3 6532 B13R1.164 NC(=O)COc1ccc(cc1N)Br 7a_100000752626_100000187820 [0,2,0,0,0,0|1,0,0]=3 6533 B13R1.164 NC(=O)COc1ccc(cc1N)Cl 34a_100000210500_100000187820 [0,2,0,0,0,0|1,0,0]=3 6534 B13R1.164 NC(=O)COc1ccc(cc1N)Cl 7a_100000210500_100000187820 [0,2,0,0,0,0|1,0,0]=3 6535 B13R1.164 NC(=O)COc1ccc(cc1N)F 34a_100000759472_100000187820 [0,2,0,0,0,0|1,0,0]=3 6536 B13R1.164 NC(=O)COc1ccc(cc1N)F 7a_100000759472_100000187820 [0,2,0,0,0,0|1,0,0]=3 6537 B13R1.164 NC(=O)COc1ccc(cc1N)I 34a_100000753495_100000187820 [0,2,0,0,0,0|1,0,0]=3 6538 B13R1.164 NC(=O)COc1ccc(cc1N)I 7a_100000753495_100000187820 [0,2,0,0,0,0|1,0,0]=3 6539 B13R1.164 NC(=O)COc1ccc(cc1N)N 34a_100000725306_100000187820 [0,2,0,0,0,0|1,0,0]=3 6540 B13R1.164 NC(=O)COc1ccc(nc1Br)Br 34a_100009999766_100000187820 [0,2,0,0,0,0|2,0,0]=4 6541 B13R1.164 NC(=O)COc1ccc(nc1Br)Br 7a_100009999766_100000187820 [0,2,0,0,0,0|2,0,0]=4 6542 B13R1.164 NC(=O)COc1ccc(nc1Br)Cl 34a_100010219353_100000187820 [0,2,0,0,0,0|2,0,0]=4 6543 B13R1.164 NC(=O)COc1ccc(nc1Br)Cl 7a_100010219353_100000187820 [0,2,0,0,0,0|2,0,0]=4 6544 B13R1.164 NC(=O)COc1ccc(nc1Br)F 34a_100009887730_100000187820 [0,2,0,0,0,0|2,0,0]=4 6545 B13R1.164 NC(=O)COc1ccc(nc1Br)F 7a_100009887730_100000187820 [0,2,0,0,0,0|2,0,0]=4 6546 B13R1.164 NC(=O)COc1ccc(nc1Br)I 34a_100000725334_100000187820 [0,2,0,0,0,0|2,0,0]=4 6547 B13R1.164 NC(=O)COc1ccc(nc1Br)I 7a_100000725334_100000187820 [0,2,0,0,0,0|2,0,0]=4 6548 B13R1.164 NC(=O)COc1ccc(nc1Cl)Br 34a_100010246206_100000187820 [0,2,0,0,0,0|2,0,0]=4 6549 B13R1.164 NC(=O)COc1ccc(nc1Cl)Br 7a_100010246206_100000187820 [0,2,0,0,0,0|2,0,0]=4 6550 B13R1.164 NC(=O)COc1ccc(nc1Cl)Cl 34a_100000101165_100000187820 [0,2,0,0,0,0|2,0,0]=4 6551 B13R1.164 NC(=O)COc1ccc(nc1Cl)Cl 7a_100000101165_100000187820 [0,2,0,0,0,0|2,0,0]=4 6552 B13R1.164 NC(=O)COc1ccc(nc1Cl)I 34a_100000721234_100000187820 [0,2,0,0,0,0|2,0,0]=4 6553 B13R1.164 NC(=O)COc1ccc(nc1Cl)I 7a_100000721234_100000187820 [0,2,0,0,0,0|2,0,0]=4 6554 B13R1.164 NC(=O)COc1ccc(nc1F)Br 34a_100009819667_100000187820 [0,2,0,0,0,0|2,0,0]=4 6555 B13R1.164 NC(=O)COc1ccc(nc1F)Br 7a_100009819667_100000187820 [0,2,0,0,0,0|2,0,0]=4 6556 B13R1.164 NC(=O)COc1ccc(nc1F)Cl 34a_100009880201_100000187820 [0,2,0,0,0,0|2,0,0]=4 6557 B13R1.164 NC(=O)COc1ccc(nc1F)Cl 7a_100009880201_100000187820 [0,2,0,0,0,0|2,0,0]=4 6558 B13R1.164 NC(=O)COc1ccc(nc1F)F 34a_100000101184_100000187820 [0,2,0,0,0,0|2,0,0]=4 6559 B13R1.164 NC(=O)COc1ccc(nc1F)F 7a_100000101184_100000187820 [0,2,0,0,0,0|2,0,0]=4 6560 B13R1.164 NC(=O)COc1ccc(nc1I)Br 34a_100010253912_100000187820 [0,2,0,0,0,0|2,0,0]=4 6561 B13R1.164 NC(=O)COc1ccc(nc1I)Br 7a_100010253912_100000187820 [0,2,0,0,0,0|2,0,0]=4 6562 B13R1.164 NC(=O)COc1ccc(nc1I)Cl 34a_100000696390_100000187820 [0,2,0,0,0,0|2,0,0]=4 6563 B13R1.164 NC(=O)COc1ccc(nc1I)Cl 7a_100000696390_100000187820 [0,2,0,0,0,0|2,0,0]=4 6564 B13R1.164 NC(=O)COc1ccc(nc1I)F 34a_100010382442_100000187820 [0,2,0,0,0,0|2,0,0]=4 6565 B13R1.164 NC(=O)COc1ccc(nc1I)F 7a_100010382442_100000187820 [0,2,0,0,0,0|2,0,0]=4 6566 B13R1.164 NC(=O)COc1ccc(nc1N)Br 34a_100000685527_100000187820 [0,2,0,0,0,0|2,0,0]=4 6567 B13R1.164 NC(=O)COc1ccc(nc1N)Br 7a_100000685527_100000187820 [0,2,0,0,0,0|2,0,0]=4 6568 B13R1.164 NC(=O)COc1ccc(nc1N)Cl 34a_100000717809_100000187820 [0,2,0,0,0,0|2,0,0]=4 6569 B13R1.164 NC(=O)COc1ccc(nc1N)Cl 7a_100000717809_100000187820 [0,2,0,0,0,0|2,0,0]=4 6570 B13R1.164 NC(=O)COc1cnc(cc1Cl)Cl 34a_100009868576_100000187820 [0,2,0,0,0,0|2,0,0]=4 6571 B13R1.164 NC(=O)COc1cnc(cc1Cl)Cl 7a_100009868576_100000187820 [0,2,0,0,0,0|2,0,0]=4 6572 B13R1.164 NC(=O)COc1cnc(cc1F)F 34a_100009885687_100000187820 [0,2,0,0,0,0|2,0,0]=4 6573 B13R1.164 NC(=O)COc1cnc(cc1F)F 7a_100009885687_100000187820 [0,2,0,0,0,0|2,0,0]=4 6574 B13R1.164 NC(=O)COc1cnc(cc1I)Cl 34a_100000698892_100000187820 [0,2,0,0,0,0|2,0,0]=4 6575 B13R1.164 NC(=O)COc1cnc(cc1I)Cl 7a_100000698892_100000187820 [0,2,0,0,0,0|2,0,0]=4 6576 B13R1.164 NC(=O)COc1cnc(cc1N)Br 34a_100009819941_100000187820 [0,2,0,0,0,0|2,0,0]=4 6577 B13R1.164 NC(=O)COc1cnc(cc1N)Br 7a_100009819941_100000187820 [0,2,0,0,0,0|2,0,0]=4 6578 B13R1.164 NC(=O)COc1ncc(cc1Br)Br 34a_100000701035_100000187820 [0,2,0,0,0,0|2,0,0]=4 6579 B13R1.164 NC(=O)COc1ncc(cc1Cl)Br 34a_100012339560_100000187820 [0,2,0,0,0,0|2,0,0]=4 6580 B13R1.164 NC(=O)COc1ncc(cc1Cl)F 34a_100009847679_100000187820 [0,2,0,0,0,0|2,0,0]=4 6581 B13R1.164 NC(=O)COc1ncc(cc1F)Cl 34a_100011998252_100000187820 [0,2,0,0,0,0|2,0,0]=4 6582 B13R1.164 NC(=O)COc1ncc(cc1F)F 34a_100012025737_100000187820 [0,2,0,0,0,0|2,0,0]=4 6583 B13R1.164 NC(=O)COc1ncc(cc1N)Br 34a_100000743729_100000187820 [0,2,0,0,0,0|2,0,0]=4 6584 B13R1.164 NC(=O)COc1ncc(cc1N)Cl 34a_100011998249_100000187820 [0,2,0,0,0,0|2,0,0]=4 6585 B13R1.164 NC(=O)CSc1ccc(cc1Br)Br 62a_100000747473_100011484698 [0,2,0,0,0,0|1,1,0]=4 6586 B13R1.164 NC(=O)CSc1ccc(cc1Br)Br 62a_100011484698_100000747473 [0,2,0,0,0,0|1,1,0]=4 6587 B13R1.164 NC(=O)CSc1ccc(cc1Br)Cl 62a_100000747473_100011219703 [0,2,0,0,0,0|1,1,0]=4 6588 B13R1.164 NC(=O)CSc1ccc(cc1Br)Cl 62a_100011219703_100000747473 [0,2,0,0,0,0|1,1,0]=4 6589 B13R1.164 NC(=O)CSc1ccc(cc1Br)F 62a_100000747473_100011217111 [0,2,0,0,0,0|1,1,0]=4 6590 B13R1.164 NC(=O)CSc1ccc(cc1Br)F 62a_100011217111_100000747473 [0,2,0,0,0,0|1,1,0]=4 6591 B13R1.164 NC(=O)CSc1ccc(cc1Br)N 62a_100000747473_100000750458 [0,2,0,0,0,0|1,1,0]=4 6592 B13R1.164 NC(=O)CSc1ccc(cc1Br)N 62a_100000750458_100000747473 [0,2,0,0,0,0|1,1,0]=4 6593 B13R1.164 NC(=O)CSc1ccc(cc1Br)O 62a_100000701344_100000747473 [0,2,0,0,0,0|1,1,0]=4 6594 B13R1.164 NC(=O)CSc1ccc(cc1Br)O 62a_100000747473_100000701344 [0,2,0,0,0,0|1,1,0]=4 6595 B13R1.164 NC(=O)CSc1ccc(cc1Cl)Br 62a_100000747473_100011216062 [0,2,0,0,0,0|1,1,0]=4 6596 B13R1.164 NC(=O)CSc1ccc(cc1Cl)Br 62a_100011216062_100000747473 [0,2,0,0,0,0|1,1,0]=4 6597 B13R1.164 NC(=O)CSc1ccc(cc1Cl)Cl 62a_100000699841_100000747473 [0,2,0,0,0,0|1,1,0]=4 6598 B13R1.164 NC(=O)CSc1ccc(cc1Cl)Cl 62a_100000747473_100000699841 [0,2,0,0,0,0|1,1,0]=4 6599 B13R1.164 NC(=O)CSc1ccc(cc1Cl)F 62a_100000733362_100000747473 [0,2,0,0,0,0|1,1,0]=4 6600 B13R1.164 NC(=O)CSc1ccc(cc1Cl)F 62a_100000747473_100000733362 [0,2,0,0,0,0|1,1,0]=4 6601 B13R1.164 NC(=O)CSc1ccc(cc1Cl)N 62a_100000747473_100000761885 [0,2,0,0,0,0|1,1,0]=4 6602 B13R1.164 NC(=O)CSc1ccc(cc1Cl)N 62a_100000761885_100000747473 [0,2,0,0,0,0|1,1,0]=4 6603 B13R1.164 NC(=O)CSc1ccc(cc1Cl)O 62a_100000047559_100000747473 [0,2,0,0,0,0|1,1,0]=4 6604 B13R1.164 NC(=O)CSc1ccc(cc1Cl)O 62a_100000747473_100000047559 [0,2,0,0,0,0|1,1,0]=4 6605 B13R1.164 NC(=O)CSc1ccc(cc1F)Br 62a_100000747473_100009814013 [0,2,0,0,0,0|1,1,0]=4 6606 B13R1.164 NC(=O)CSc1ccc(cc1F)Br 62a_100009814013_100000747473 [0,2,0,0,0,0|1,1,0]=4 6607 B13R1.164 NC(=O)CSc1ccc(cc1F)Cl 62a_100000747473_100011216042 [0,2,0,0,0,0|1,1,0]=4 6608 B13R1.164 NC(=O)CSc1ccc(cc1F)Cl 62a_100011216042_100000747473 [0,2,0,0,0,0|1,1,0]=4 6609 B13R1.164 NC(=O)CSc1ccc(cc1F)F 62a_100000747473_100000750030 [0,2,0,0,0,0|1,1,0]=4 6610 B13R1.164 NC(=O)CSc1ccc(cc1F)F 62a_100000750030_100000747473 [0,2,0,0,0,0|1,1,0]=4 6611 B13R1.164 NC(=O)CSc1ccc(cc1F)N 62a_100000747473_100011356925 [0,2,0,0,0,0|1,1,0]=4 6612 B13R1.164 NC(=O)CSc1ccc(cc1F)N 62a_100011356925_100000747473 [0,2,0,0,0,0|1,1,0]=4 6613 B13R1.164 NC(=O)CSc1ccc(cc1F)O 62a_100000747473_100000755031 [0,2,0,0,0,0|1,1,0]=4 6614 B13R1.164 NC(=O)CSc1ccc(cc1F)O 62a_100000755031_100000747473 [0,2,0,0,0,0|1,1,0]=4 6615 B13R1.164 NC(=O)CSc1ccc(cc1N)Br 62a_100000743836_100000747473 [0,2,0,0,0,0|1,1,0]=4 6616 B13R1.164 NC(=O)CSc1ccc(cc1N)Br 62a_100000747473_100000743836 [0,2,0,0,0,0|1,1,0]=4 6617 B13R1.164 NC(=O)CSc1ccc(cc1N)Cl 62a_100000747473_100000761886 [0,2,0,0,0,0|1,1,0]=4 6618 B13R1.164 NC(=O)CSc1ccc(cc1N)Cl 62a_100000761886_100000747473 [0,2,0,0,0,0|1,1,0]=4 6619 B13R1.164 NC(=O)CSc1ccc(cc1N)F 62a_100000687223_100000747473 [0,2,0,0,0,0|1,1,0]=4 6620 B13R1.164 NC(=O)CSc1ccc(cc1N)F 62a_100000747473_100000687223 [0,2,0,0,0,0|1,1,0]=4 6621 B13R1.164 NC(=O)CSc1ccc(cc1N)N 62a_100000747473_200012175722 [0,2,0,0,0,0|1,1,0]=4 6622 B13R1.164 NC(=O)CSc1ccc(cc1N)N 62a_200012175722_100000747473 [0,2,0,0,0,0|1,1,0]=4 6623 B13R1.164 NC(=O)CSc1ccc(cc1N)O 62a_100000747473_100011999798 [0,2,0,0,0,0|1,1,0]=4 6624 B13R1.164 NC(=O)CSc1ccc(cc1N)O 62a_100011999798_100000747473 [0,2,0,0,0,0|1,1,0]=4 6625 B13R1.164 NC(=O)CSc1ccc(cc1O)Br 62a_100000747473_100012344904 [0,2,0,0,0,0|1,1,0]=4 6626 B13R1.164 NC(=O)CSc1ccc(cc1O)Br 62a_100012344904_100000747473 [0,2,0,0,0,0|1,1,0]=4 6627 B13R1.164 NC(=O)CSc1ccc(cc1O)Cl 62a_100000050036_100000747473 [0,2,0,0,0,0|1,1,0]=4 6628 B13R1.164 NC(=O)CSc1ccc(cc1O)Cl 62a_100000747473_100000050036 [0,2,0,0,0,0|1,1,0]=4 6629 B13R1.164 NC(=O)CSc1ccc(cc1O)F 62a_100000690578_100000747473 [0,2,0,0,0,0|1,1,0]=4 6630 B13R1.164 NC(=O)CSc1ccc(cc1O)F 62a_100000747473_100000690578 [0,2,0,0,0,0|1,1,0]=4 6631 B13R1.164 NC(=O)CSc1ccc(cc1O)O 62a_100000747473_100009813921 [0,2,0,0,0,0|1,1,0]=4 6632 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])Br 34a_100000752626_100020667443 [0,2,0,0,0,0|0,0,1]=3 6633 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])Cl 34a_100000210500_100020667443 [0,2,0,0,0,0|0,0,1]=3 6634 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])F 34a_100000759472_100020667443 [0,2,0,0,0,0|0,0,1]=3 6635 B13R1.164 Nc1cc(ccc1OCC(=O)[O-])I 34a_100000753495_100020667443 [0,2,0,0,0,0|0,0,1]=3 6636 B13R1.164 Nc1cc(ccc1OC[N+](=O)[O-])Br 34a_100000752626_100000761209 [0,2,0,0,0,0|1,0,1]=4 6637 B13R1.164 Nc1cc(ccc1OC[N+](=O)[O-])Cl 34a_100000210500_100000761209 [0,2,0,0,0,0|1,0,1]=4 6638 B13R1.164 Nc1cc(ccc1OC[N+](=O)[O-])F 34a_100000759472_100000761209 [0,2,0,0,0,0|1,0,1]=4 6639 B13R1.164 Nc1cc(ccc1OC[N+](=O)[O-])I 34a_100000753495_100000761209 [0,2,0,0,0,0|1,0,1]=4 6640 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])Br 62a_100000743836_100020667443 [0,2,0,0,0,0|0,1,1]=4 6641 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])Br 62a_100020667443_100000743836 [0,2,0,0,0,0|0,1,1]=4 6642 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])Cl 62a_100000761886_100020667443 [0,2,0,0,0,0|0,1,1]=4 6643 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])Cl 62a_100020667443_100000761886 [0,2,0,0,0,0|0,1,1]=4 6644 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])F 62a_100000687223_100020667443 [0,2,0,0,0,0|0,1,1]=4 6645 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])F 62a_100020667443_100000687223 [0,2,0,0,0,0|0,1,1]=4 6646 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])O 62a_100011999798_100020667443 [0,2,0,0,0,0|0,1,1]=4 6647 B13R1.164 Nc1cc(ccc1SCC(=O)[O-])O 62a_100020667443_100011999798 [0,2,0,0,0,0|0,1,1]=4 6648 B13R1.164 Nc1cc(cnc1OCC(=O)[O-])Br 34a_100000743729_100020667443 [0,2,0,0,0,0|1,0,1]=4 6649 B13R1.164 Nc1cc(cnc1OCC(=O)[O-])Cl 34a_100011998249_100020667443 [0,2,0,0,0,0|1,0,1]=4 6650 B13R1.164 Nc1cc(ncc1OCC(=O)[O-])Br 34a_100009819941_100020667443 [0,2,0,0,0,0|1,0,1]=4 6651 B13R1.164 Nc1ccc(c(c1)Br)OCC(=O)[O-] 34a_100011534360_100020667443 [0,2,0,0,0,0|0,0,1]=3 6652 B13R1.164 Nc1ccc(c(c1)Br)OC[N+](=O)[O-] 34a_100011534360_100000761209 [0,2,0,0,0,0|1,0,1]=4 6653 B13R1.164 Nc1ccc(c(c1)Br)SCC(=O)[O-] 62a_100000750458_100020667443 [0,2,0,0,0,0|0,1,1]=4 6654 B13R1.164 Nc1ccc(c(c1)Br)SCC(=O)[O-] 62a_100020667443_100000750458 [0,2,0,0,0,0|0,1,1]=4 6655 B13R1.164 Nc1ccc(c(c1)Cl)OCC(=O)[O-] 34a_100000744943_100020667443 [0,2,0,0,0,0|0,0,1]=3 6656 B13R1.164 Nc1ccc(c(c1)Cl)OC[N+](=O)[O-] 34a_100000744943_100000761209 [0,2,0,0,0,0|1,0,1]=4 6657 B13R1.164 Nc1ccc(c(c1)Cl)SCC(=O)[O-] 62a_100000761885_100020667443 [0,2,0,0,0,0|0,1,1]=4 6658 B13R1.164 Nc1ccc(c(c1)Cl)SCC(=O)[O-] 62a_100020667443_100000761885 [0,2,0,0,0,0|0,1,1]=4 6659 B13R1.164 Nc1ccc(c(c1)F)OCC(=O)[O-] 34a_100011220035_100020667443 [0,2,0,0,0,0|0,0,1]=3 6660 B13R1.164 Nc1ccc(c(c1)F)OC[N+](=O)[O-] 34a_100011220035_100000761209 [0,2,0,0,0,0|1,0,1]=4 6661 B13R1.164 Nc1ccc(c(c1)F)SCC(=O)[O-] 62a_100011356925_100020667443 [0,2,0,0,0,0|0,1,1]=4 6662 B13R1.164 Nc1ccc(c(c1)F)SCC(=O)[O-] 62a_100020667443_100011356925 [0,2,0,0,0,0|0,1,1]=4 6663 B13R1.164 Nc1ccc(c(c1)N)OCC(=O)[O-] 34a_100000725306_100020667443 [0,2,0,0,0,0|0,0,1]=3 6664 B13R1.164 Nc1ccc(c(c1)N)OC[N+](=O)[O-] 34a_100000725306_100000761209 [0,2,0,0,0,0|1,0,1]=4 6665 B13R1.164 Nc1ccc(c(c1)N)SCC(=O)[O-] 62a_100020667443_200012175722 [0,2,0,0,0,0|0,1,1]=4 6666 B13R1.164 Nc1ccc(c(c1)N)SCC(=O)[O-] 62a_200012175722_100020667443 [0,2,0,0,0,0|0,1,1]=4 6667 B13R1.164 Nc1nc(ccc1OCC(=O)[O-])Br 34a_100000685527_100020667443 [0,2,0,0,0,0|1,0,1]=4 6668 B13R1.164 Nc1nc(ccc1OCC(=O)[O-])Cl 34a_100000717809_100020667443 [0,2,0,0,0,0|1,0,1]=4 6669 B13R1.164 O=C([O-])CNc1ccc(cc1Br)Br 34a_100000211012_100020667443 [0,2,0,0,0,0|1,0,1]=4 6670 B13R1.164 O=C([O-])CNc1ccc(cc1Br)Cl 34a_100000752454_100020667443 [0,2,0,0,0,0|1,0,1]=4 6671 B13R1.164 O=C([O-])CNc1ccc(cc1Br)F 34a_100000738039_100020667443 [0,2,0,0,0,0|1,0,1]=4 6672 B13R1.164 O=C([O-])CNc1ccc(cc1Br)O 34a_100012001276_100020667443 [0,2,0,0,0,0|1,0,1]=4 6673 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)Br 34a_100000211467_100020667443 [0,2,0,0,0,0|1,0,1]=4 6674 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)Cl 34a_100000185861_100020667443 [0,2,0,0,0,0|1,0,1]=4 6675 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)F 34a_100000212003_100020667443 [0,2,0,0,0,0|1,0,1]=4 6676 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)I 34a_100011218065_100020667443 [0,2,0,0,0,0|1,0,1]=4 6677 B13R1.164 O=C([O-])CNc1ccc(cc1Cl)O 34a_100011215599_100020667443 [0,2,0,0,0,0|1,0,1]=4 6678 B13R1.164 O=C([O-])CNc1ccc(cc1F)Br 34a_100000210722_100020667443 [0,2,0,0,0,0|1,0,1]=4 6679 B13R1.164 O=C([O-])CNc1ccc(cc1F)Cl 34a_100000211020_100020667443 [0,2,0,0,0,0|1,0,1]=4 6680 B13R1.164 O=C([O-])CNc1ccc(cc1F)F 34a_100000210720_100020667443 [0,2,0,0,0,0|1,0,1]=4 6681 B13R1.164 O=C([O-])CNc1ccc(cc1F)I 34a_100011215594_100020667443 [0,2,0,0,0,0|1,0,1]=4 6682 B13R1.164 O=C([O-])CNc1ccc(cc1F)O 34a_100000759473_100020667443 [0,2,0,0,0,0|1,0,1]=4 6683 B13R1.164 O=C([O-])CNc1ccc(cc1I)Br 34a_100000187925_100020667443 [0,2,0,0,0,0|1,0,1]=4 6684 B13R1.164 O=C([O-])CNc1ccc(cc1I)Cl 34a_100000761889_100020667443 [0,2,0,0,0,0|1,0,1]=4 6685 B13R1.164 O=C([O-])CNc1ccc(cc1I)F 34a_100000760547_100020667443 [0,2,0,0,0,0|1,0,1]=4 6686 B13R1.164 O=C([O-])CNc1ccc(cc1I)O 34a_100010084370_100020667443 [0,2,0,0,0,0|1,0,1]=4 6687 B13R1.164 O=C([O-])CNc1ccc(cc1O)Br 34a_100000739049_100020667443 [0,2,0,0,0,0|1,0,1]=4 6688 B13R1.164 O=C([O-])CNc1ccc(cc1O)Cl 34a_100000185728_100020667443 [0,2,0,0,0,0|1,0,1]=4 6689 B13R1.164 O=C([O-])CNc1ccc(cc1O)F 34a_100000753323_100020667443 [0,2,0,0,0,0|1,0,1]=4 6690 B13R1.164 O=C([O-])CNc1ccc(cc1O)O 34a_100000106777_100020667443 [0,2,0,0,0,0|1,0,1]=4 6691 B13R1.164 O=C([O-])COc1ccc(cc1Br)Br 34a_100000188717_100020667443 [0,2,0,0,0,0|0,0,1]=3 6692 B13R1.164 O=C([O-])COc1ccc(cc1Br)Cl 34a_100000211998_100020667443 [0,2,0,0,0,0|0,0,1]=3 6693 B13R1.164 O=C([O-])COc1ccc(cc1Br)F 34a_100000211999_100020667443 [0,2,0,0,0,0|0,0,1]=3 6694 B13R1.164 O=C([O-])COc1ccc(cc1Br)I 34a_100012361655_100020667443 [0,2,0,0,0,0|0,0,1]=3 6695 B13R1.164 O=C([O-])COc1ccc(cc1Cl)Br 34a_100000186472_100020667443 [0,2,0,0,0,0|0,0,1]=3 6696 B13R1.164 O=C([O-])COc1ccc(cc1Cl)Cl 34a_100015191787_100020667443 [0,2,0,0,0,0|0,0,1]=3 6697 B13R1.164 O=C([O-])COc1ccc(cc1Cl)F 34a_100000212004_100020667443 [0,2,0,0,0,0|0,0,1]=3 6698 B13R1.164 O=C([O-])COc1ccc(cc1Cl)I 34a_100012360047_100020667443 [0,2,0,0,0,0|0,0,1]=3 6699 B13R1.164 O=C([O-])COc1ccc(cc1F)Br 34a_100000185481_100020667443 [0,2,0,0,0,0|0,0,1]=3 6700 B13R1.164 O=C([O-])COc1ccc(cc1F)Cl 34a_100000230166_100020667443 [0,2,0,0,0,0|0,0,1]=3 6701 B13R1.164 O=C([O-])COc1ccc(cc1F)F 34a_100000230127_100020667443 [0,2,0,0,0,0|0,0,1]=3 6702 B13R1.164 O=C([O-])COc1ccc(cc1F)I 34a_100011356965_100020667443 [0,2,0,0,0,0|0,0,1]=3 6703 B13R1.164 O=C([O-])COc1ccc(cc1I)Br 34a_100012355227_100020667443 [0,2,0,0,0,0|0,0,1]=3 6704 B13R1.164 O=C([O-])COc1ccc(cc1I)Cl 34a_100011356953_100020667443 [0,2,0,0,0,0|0,0,1]=3 6705 B13R1.164 O=C([O-])COc1ccc(cc1I)F 34a_100012355409_100020667443 [0,2,0,0,0,0|0,0,1]=3 6706 B13R1.164 O=C([O-])COc1ccc(nc1Br)Br 34a_100009999766_100020667443 [0,2,0,0,0,0|1,0,1]=4 6707 B13R1.164 O=C([O-])COc1ccc(nc1Br)Cl 34a_100010219353_100020667443 [0,2,0,0,0,0|1,0,1]=4 6708 B13R1.164 O=C([O-])COc1ccc(nc1Br)F 34a_100009887730_100020667443 [0,2,0,0,0,0|1,0,1]=4 6709 B13R1.164 O=C([O-])COc1ccc(nc1Br)I 34a_100000725334_100020667443 [0,2,0,0,0,0|1,0,1]=4 6710 B13R1.164 O=C([O-])COc1ccc(nc1Cl)Br 34a_100010246206_100020667443 [0,2,0,0,0,0|1,0,1]=4 6711 B13R1.164 O=C([O-])COc1ccc(nc1Cl)Cl 34a_100000101165_100020667443 [0,2,0,0,0,0|1,0,1]=4 6712 B13R1.164 O=C([O-])COc1ccc(nc1Cl)I 34a_100000721234_100020667443 [0,2,0,0,0,0|1,0,1]=4 6713 B13R1.164 O=C([O-])COc1ccc(nc1F)Br 34a_100009819667_100020667443 [0,2,0,0,0,0|1,0,1]=4 6714 B13R1.164 O=C([O-])COc1ccc(nc1F)Cl 34a_100009880201_100020667443 [0,2,0,0,0,0|1,0,1]=4 6715 B13R1.164 O=C([O-])COc1ccc(nc1F)F 34a_100000101184_100020667443 [0,2,0,0,0,0|1,0,1]=4 6716 B13R1.164 O=C([O-])COc1ccc(nc1I)Br 34a_100010253912_100020667443 [0,2,0,0,0,0|1,0,1]=4 6717 B13R1.164 O=C([O-])COc1ccc(nc1I)Cl 34a_100000696390_100020667443 [0,2,0,0,0,0|1,0,1]=4 6718 B13R1.164 O=C([O-])COc1ccc(nc1I)F 34a_100010382442_100020667443 [0,2,0,0,0,0|1,0,1]=4 6719 B13R1.164 O=C([O-])COc1cnc(cc1Cl)Cl 34a_100009868576_100020667443 [0,2,0,0,0,0|1,0,1]=4 6720 B13R1.164 O=C([O-])COc1cnc(cc1F)F 34a_100009885687_100020667443 [0,2,0,0,0,0|1,0,1]=4 6721 B13R1.164 O=C([O-])COc1cnc(cc1I)Cl 34a_100000698892_100020667443 [0,2,0,0,0,0|1,0,1]=4 6722 B13R1.164 O=C([O-])COc1ncc(cc1Br)Br 34a_100000701035_100020667443 [0,2,0,0,0,0|1,0,1]=4 6723 B13R1.164 O=C([O-])COc1ncc(cc1Cl)Br 34a_100012339560_100020667443 [0,2,0,0,0,0|1,0,1]=4 6724 B13R1.164 O=C([O-])COc1ncc(cc1Cl)F 34a_100009847679_100020667443 [0,2,0,0,0,0|1,0,1]=4 6725 B13R1.164 O=C([O-])COc1ncc(cc1F)Cl 34a_100011998252_100020667443 [0,2,0,0,0,0|1,0,1]=4 6726 B13R1.164 O=C([O-])COc1ncc(cc1F)F 34a_100012025737_100020667443 [0,2,0,0,0,0|1,0,1]=4 6727 B13R1.164 O=C([O-])CSc1ccc(cc1Br)Br 62a_100011484698_100020667443 [0,2,0,0,0,0|0,1,1]=4 6728 B13R1.164 O=C([O-])CSc1ccc(cc1Br)Br 62a_100020667443_100011484698 [0,2,0,0,0,0|0,1,1]=4 6729 B13R1.164 O=C([O-])CSc1ccc(cc1Br)Cl 62a_100011219703_100020667443 [0,2,0,0,0,0|0,1,1]=4 6730 B13R1.164 O=C([O-])CSc1ccc(cc1Br)Cl 62a_100020667443_100011219703 [0,2,0,0,0,0|0,1,1]=4 6731 B13R1.164 O=C([O-])CSc1ccc(cc1Br)F 62a_100011217111_100020667443 [0,2,0,0,0,0|0,1,1]=4 6732 B13R1.164 O=C([O-])CSc1ccc(cc1Br)F 62a_100020667443_100011217111 [0,2,0,0,0,0|0,1,1]=4 6733 B13R1.164 O=C([O-])CSc1ccc(cc1Br)O 62a_100000701344_100020667443 [0,2,0,0,0,0|0,1,1]=4 6734 B13R1.164 O=C([O-])CSc1ccc(cc1Br)O 62a_100020667443_100000701344 [0,2,0,0,0,0|0,1,1]=4 6735 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)Br 62a_100011216062_100020667443 [0,2,0,0,0,0|0,1,1]=4 6736 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)Br 62a_100020667443_100011216062 [0,2,0,0,0,0|0,1,1]=4 6737 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)Cl 62a_100000699841_100020667443 [0,2,0,0,0,0|0,1,1]=4 6738 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)Cl 62a_100020667443_100000699841 [0,2,0,0,0,0|0,1,1]=4 6739 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)F 62a_100000733362_100020667443 [0,2,0,0,0,0|0,1,1]=4 6740 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)F 62a_100020667443_100000733362 [0,2,0,0,0,0|0,1,1]=4 6741 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)O 62a_100000047559_100020667443 [0,2,0,0,0,0|0,1,1]=4 6742 B13R1.164 O=C([O-])CSc1ccc(cc1Cl)O 62a_100020667443_100000047559 [0,2,0,0,0,0|0,1,1]=4 6743 B13R1.164 O=C([O-])CSc1ccc(cc1F)Br 62a_100009814013_100020667443 [0,2,0,0,0,0|0,1,1]=4 6744 B13R1.164 O=C([O-])CSc1ccc(cc1F)Br 62a_100020667443_100009814013 [0,2,0,0,0,0|0,1,1]=4 6745 B13R1.164 O=C([O-])CSc1ccc(cc1F)Cl 62a_100011216042_100020667443 [0,2,0,0,0,0|0,1,1]=4 6746 B13R1.164 O=C([O-])CSc1ccc(cc1F)Cl 62a_100020667443_100011216042 [0,2,0,0,0,0|0,1,1]=4 6747 B13R1.164 O=C([O-])CSc1ccc(cc1F)F 62a_100000750030_100020667443 [0,2,0,0,0,0|0,1,1]=4 6748 B13R1.164 O=C([O-])CSc1ccc(cc1F)F 62a_100020667443_100000750030 [0,2,0,0,0,0|0,1,1]=4 6749 B13R1.164 O=C([O-])CSc1ccc(cc1F)O 62a_100000755031_100020667443 [0,2,0,0,0,0|0,1,1]=4 6750 B13R1.164 O=C([O-])CSc1ccc(cc1F)O 62a_100020667443_100000755031 [0,2,0,0,0,0|0,1,1]=4 6751 B13R1.164 O=C([O-])CSc1ccc(cc1O)Br 62a_100012344904_100020667443 [0,2,0,0,0,0|0,1,1]=4 6752 B13R1.164 O=C([O-])CSc1ccc(cc1O)Br 62a_100020667443_100012344904 [0,2,0,0,0,0|0,1,1]=4 6753 B13R1.164 O=C([O-])CSc1ccc(cc1O)Cl 62a_100000050036_100020667443 [0,2,0,0,0,0|0,1,1]=4 6754 B13R1.164 O=C([O-])CSc1ccc(cc1O)Cl 62a_100020667443_100000050036 [0,2,0,0,0,0|0,1,1]=4 6755 B13R1.164 O=C([O-])CSc1ccc(cc1O)F 62a_100000690578_100020667443 [0,2,0,0,0,0|0,1,1]=4 6756 B13R1.164 O=C([O-])CSc1ccc(cc1O)F 62a_100020667443_100000690578 [0,2,0,0,0,0|0,1,1]=4 6757 B13R1.164 O=C([O-])CSc1ccc(cc1O)O 62a_100020667443_100009813921 [0,2,0,0,0,0|0,1,1]=4 6758 B13R1.164 O=[N+]([O-])COc1ccc(cc1Br)Br 34a_100000188717_100000761209 [0,2,0,0,0,0|1,0,1]=4 6759 B13R1.164 O=[N+]([O-])COc1ccc(cc1Br)Cl 34a_100000211998_100000761209 [0,2,0,0,0,0|1,0,1]=4 6760 B13R1.164 O=[N+]([O-])COc1ccc(cc1Br)F 34a_100000211999_100000761209 [0,2,0,0,0,0|1,0,1]=4 6761 B13R1.164 O=[N+]([O-])COc1ccc(cc1Br)I 34a_100012361655_100000761209 [0,2,0,0,0,0|1,0,1]=4 6762 B13R1.164 O=[N+]([O-])COc1ccc(cc1Cl)Br 34a_100000186472_100000761209 [0,2,0,0,0,0|1,0,1]=4 6763 B13R1.164 O=[N+]([O-])COc1ccc(cc1Cl)Cl 34a_100015191787_100000761209 [0,2,0,0,0,0|1,0,1]=4 6764 B13R1.164 O=[N+]([O-])COc1ccc(cc1Cl)F 34a_100000212004_100000761209 [0,2,0,0,0,0|1,0,1]=4 6765 B13R1.164 O=[N+]([O-])COc1ccc(cc1Cl)I 34a_100012360047_100000761209 [0,2,0,0,0,0|1,0,1]=4 6766 B13R1.164 O=[N+]([O-])COc1ccc(cc1F)Br 34a_100000185481_100000761209 [0,2,0,0,0,0|1,0,1]=4 6767 B13R1.164 O=[N+]([O-])COc1ccc(cc1F)Cl 34a_100000230166_100000761209 [0,2,0,0,0,0|1,0,1]=4 6768 B13R1.164 O=[N+]([O-])COc1ccc(cc1F)F 34a_100000230127_100000761209 [0,2,0,0,0,0|1,0,1]=4 6769 B13R1.164 O=[N+]([O-])COc1ccc(cc1F)I 34a_100011356965_100000761209 [0,2,0,0,0,0|1,0,1]=4 6770 B13R1.164 O=[N+]([O-])COc1ccc(cc1I)Br 34a_100012355227_100000761209 [0,2,0,0,0,0|1,0,1]=4 6771 B13R1.164 O=[N+]([O-])COc1ccc(cc1I)Cl 34a_100011356953_100000761209 [0,2,0,0,0,0|1,0,1]=4 6772 B13R1.164 O=[N+]([O-])COc1ccc(cc1I)F 34a_100012355409_100000761209 [0,2,0,0,0,0|1,0,1]=4 6773 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Br)F 1458a_100011308366_200025704644 [0,2,0,0,0,0|2,0,0]=4 6774 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)Br 1458a_100012349522_200025704644 [0,2,0,0,0,0|2,0,0]=4 6775 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)Cl 1458a_100000736762_200025704644 [0,2,0,0,0,0|2,0,0]=4 6776 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1Cl)F 1458a_100011308368_200025704644 [0,2,0,0,0,0|2,0,0]=4 6777 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)Br 1458a_100000747174_200025704644 [0,2,0,0,0,0|2,0,0]=4 6778 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)Cl 1458a_100012351355_200025704644 [0,2,0,0,0,0|2,0,0]=4 6779 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1F)F 1458a_100000691965_200025704644 [0,2,0,0,0,0|2,0,0]=4 6780 B13R1.164 [13CH3]C(=O)CCc1ccc(cc1O)O 1458a_100000041388_200025704644 [0,2,0,0,0,0|2,0,0]=4 6781 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)Br 1458a_200000181479_200025704644 [0,2,0,0,0,0|1,0,0]=3 6782 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)Cl 1458a_100000184090_200025704644 [0,2,0,0,0,0|1,0,0]=3 6783 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Br)F 1458a_100000184067_200025704644 [0,2,0,0,0,0|1,0,0]=3 6784 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)Br 1458a_100000185252_200025704644 [0,2,0,0,0,0|1,0,0]=3 6785 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)Cl 1458a_100102647096_200025704644 [0,2,0,0,0,0|1,0,0]=3 6786 B13R1.164 [13CH3]C(=O)COc1ccc(cc1Cl)F 1458a_100000191239_200025704644 [0,2,0,0,0,0|1,0,0]=3 6787 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)Br 1458a_100000184069_200025704644 [0,2,0,0,0,0|1,0,0]=3 6788 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)Cl 1458a_100012771990_200025704644 [0,2,0,0,0,0|1,0,0]=3 6789 B13R1.164 [13CH3]C(=O)COc1ccc(cc1F)F 1458a_100000737261_200025704644 [0,2,0,0,0,0|1,0,0]=3 6790 B13R1.164 [13CH3]C(=O)COc1ccc(cc1O)Cl 1458a_100010174420_200025704644 [0,2,0,0,0,0|1,0,0]=3 6791 B13R1.511 C=C(C)COc1ccc(c(c1)Br)C 34a_100011380479_100000748629 [0,2,0,0,0,0|2,0,0]=4 6792 B13R1.511 C=C(C)COc1ccc(c(c1)Br)C 7a_100011380479_100000748629 [0,2,0,0,0,0|2,0,0]=4 6793 B13R1.511 C=C(C)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000748629 [0,2,0,0,0,0|2,0,0]=4 6794 B13R1.511 C=C(C)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000748629 [0,2,0,0,0,0|2,0,0]=4 6795 B13R1.511 C=C(C)COc1ccc(c(c1)Br)F 34a_100000693481_100000748629 [0,2,0,0,0,0|2,0,0]=4 6796 B13R1.511 C=C(C)COc1ccc(c(c1)Br)F 7a_100000693481_100000748629 [0,2,0,0,0,0|2,0,0]=4 6797 B13R1.511 C=C(C)COc1ccc(c(c1)Br)I 34a_100000701344_100000748629 [0,2,0,0,0,0|2,0,0]=4 6798 B13R1.511 C=C(C)COc1ccc(c(c1)Br)I 7a_100000701344_100000748629 [0,2,0,0,0,0|2,0,0]=4 6799 B13R1.511 C=C(C)COc1ccc(c(c1)Br)N 34a_100012001276_100000748629 [0,2,0,0,0,0|2,0,0]=4 6800 B13R1.511 C=C(C)COc1ccc(c(c1)Br)N 7a_100012001276_100000748629 [0,2,0,0,0,0|2,0,0]=4 6801 B13R1.511 C=C(C)COc1ccc(c(c1)C)Br 34a_100000690111_100000748629 [0,2,0,0,0,0|2,0,0]=4 6802 B13R1.511 C=C(C)COc1ccc(c(c1)C)Br 7a_100000690111_100000748629 [0,2,0,0,0,0|2,0,0]=4 6803 B13R1.511 C=C(C)COc1ccc(c(c1)C)C 34a_100000210932_100000748629 [0,2,0,0,0,0|2,0,0]=4 6804 B13R1.511 C=C(C)COc1ccc(c(c1)C)C 7a_100000210932_100000748629 [0,2,0,0,0,0|2,0,0]=4 6805 B13R1.511 C=C(C)COc1ccc(c(c1)C)Cl 34a_100000211092_100000748629 [0,2,0,0,0,0|2,0,0]=4 6806 B13R1.511 C=C(C)COc1ccc(c(c1)C)Cl 7a_100000211092_100000748629 [0,2,0,0,0,0|2,0,0]=4 6807 B13R1.511 C=C(C)COc1ccc(c(c1)C)F 34a_100000751312_100000748629 [0,2,0,0,0,0|2,0,0]=4 6808 B13R1.511 C=C(C)COc1ccc(c(c1)C)F 7a_100000751312_100000748629 [0,2,0,0,0,0|2,0,0]=4 6809 B13R1.511 C=C(C)COc1ccc(c(c1)C)I 34a_100000729255_100000748629 [0,2,0,0,0,0|2,0,0]=4 6810 B13R1.511 C=C(C)COc1ccc(c(c1)C)I 7a_100000729255_100000748629 [0,2,0,0,0,0|2,0,0]=4 6811 B13R1.511 C=C(C)COc1ccc(c(c1)C)N 34a_100000756630_100000748629 [0,2,0,0,0,0|2,0,0]=4 6812 B13R1.511 C=C(C)COc1ccc(c(c1)C)N 7a_100000756630_100000748629 [0,2,0,0,0,0|2,0,0]=4 6813 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000748629 [0,2,0,0,0,0|2,0,0]=4 6814 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000748629 [0,2,0,0,0,0|2,0,0]=4 6815 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)C 34a_100011265682_100000748629 [0,2,0,0,0,0|2,0,0]=4 6816 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)C 7a_100011265682_100000748629 [0,2,0,0,0,0|2,0,0]=4 6817 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000748629 [0,2,0,0,0,0|2,0,0]=4 6818 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000748629 [0,2,0,0,0,0|2,0,0]=4 6819 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)F 34a_100000211030_100000748629 [0,2,0,0,0,0|2,0,0]=4 6820 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)F 7a_100000211030_100000748629 [0,2,0,0,0,0|2,0,0]=4 6821 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)I 34a_100000047559_100000748629 [0,2,0,0,0,0|2,0,0]=4 6822 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)I 7a_100000047559_100000748629 [0,2,0,0,0,0|2,0,0]=4 6823 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)N 34a_100011215599_100000748629 [0,2,0,0,0,0|2,0,0]=4 6824 B13R1.511 C=C(C)COc1ccc(c(c1)Cl)N 7a_100011215599_100000748629 [0,2,0,0,0,0|2,0,0]=4 6825 B13R1.511 C=C(C)COc1ccc(c(c1)F)Br 34a_100000755031_100000748629 [0,2,0,0,0,0|2,0,0]=4 6826 B13R1.511 C=C(C)COc1ccc(c(c1)F)Br 7a_100000755031_100000748629 [0,2,0,0,0,0|2,0,0]=4 6827 B13R1.511 C=C(C)COc1ccc(c(c1)F)C 34a_100000722560_100000748629 [0,2,0,0,0,0|2,0,0]=4 6828 B13R1.511 C=C(C)COc1ccc(c(c1)F)C 7a_100000722560_100000748629 [0,2,0,0,0,0|2,0,0]=4 6829 B13R1.511 C=C(C)COc1ccc(c(c1)F)Cl 34a_100000691581_100000748629 [0,2,0,0,0,0|2,0,0]=4 6830 B13R1.511 C=C(C)COc1ccc(c(c1)F)Cl 7a_100000691581_100000748629 [0,2,0,0,0,0|2,0,0]=4 6831 B13R1.511 C=C(C)COc1ccc(c(c1)F)F 34a_100000181275_100000748629 [0,2,0,0,0,0|2,0,0]=4 6832 B13R1.511 C=C(C)COc1ccc(c(c1)F)F 7a_100000181275_100000748629 [0,2,0,0,0,0|2,0,0]=4 6833 B13R1.511 C=C(C)COc1ccc(c(c1)F)I 34a_100009990212_100000748629 [0,2,0,0,0,0|2,0,0]=4 6834 B13R1.511 C=C(C)COc1ccc(c(c1)F)I 7a_100009990212_100000748629 [0,2,0,0,0,0|2,0,0]=4 6835 B13R1.511 C=C(C)COc1ccc(c(c1)F)N 34a_100000759473_100000748629 [0,2,0,0,0,0|2,0,0]=4 6836 B13R1.511 C=C(C)COc1ccc(c(c1)F)N 7a_100000759473_100000748629 [0,2,0,0,0,0|2,0,0]=4 6837 B13R1.511 C=C(C)COc1ccc(c(c1)I)Br 34a_100012339312_100000748629 [0,2,0,0,0,0|2,0,0]=4 6838 B13R1.511 C=C(C)COc1ccc(c(c1)I)Br 7a_100012339312_100000748629 [0,2,0,0,0,0|2,0,0]=4 6839 B13R1.511 C=C(C)COc1ccc(c(c1)I)Cl 34a_100000049588_100000748629 [0,2,0,0,0,0|2,0,0]=4 6840 B13R1.511 C=C(C)COc1ccc(c(c1)I)Cl 7a_100000049588_100000748629 [0,2,0,0,0,0|2,0,0]=4 6841 B13R1.511 C=C(C)COc1ccc(c(c1)I)N 34a_100010084370_100000748629 [0,2,0,0,0,0|2,0,0]=4 6842 B13R1.511 C=C(C)COc1ccc(c(c1)I)N 7a_100010084370_100000748629 [0,2,0,0,0,0|2,0,0]=4 6843 B13R1.511 C=C(C)COc1ccc(c(c1)N)Br 34a_100011999798_100000748629 [0,2,0,0,0,0|2,0,0]=4 6844 B13R1.511 C=C(C)COc1ccc(c(c1)N)Br 7a_100011999798_100000748629 [0,2,0,0,0,0|2,0,0]=4 6845 B13R1.511 C=C(C)COc1ccc(c(c1)N)C 34a_100011216113_100000748629 [0,2,0,0,0,0|2,0,0]=4 6846 B13R1.511 C=C(C)COc1ccc(c(c1)N)C 7a_100011216113_100000748629 [0,2,0,0,0,0|2,0,0]=4 6847 B13R1.511 C=C(C)COc1ccc(c(c1)N)Cl 34a_100011934297_100000748629 [0,2,0,0,0,0|2,0,0]=4 6848 B13R1.511 C=C(C)COc1ccc(c(c1)N)F 34a_100012017239_100000748629 [0,2,0,0,0,0|2,0,0]=4 6849 B13R1.511 C=C(C)COc1ccc(c(c1)N)F 7a_100012017239_100000748629 [0,2,0,0,0,0|2,0,0]=4 6850 B13R1.511 C=C(C)COc1ccc(c(c1)N)N 34a_100025771000_100000748629 [0,2,0,0,0,0|2,0,0]=4 6851 B13R1.511 C=C(F)COc1ccc(c(c1)Br)C 34a_100011380479_100009893438 [0,2,0,0,0,0|2,0,0]=4 6852 B13R1.511 C=C(F)COc1ccc(c(c1)Br)C 7a_100011380479_100000042424 [0,2,0,0,0,0|2,0,0]=4 6853 B13R1.511 C=C(F)COc1ccc(c(c1)Br)Cl 34a_100011933957_100009893438 [0,2,0,0,0,0|2,0,0]=4 6854 B13R1.511 C=C(F)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000042424 [0,2,0,0,0,0|2,0,0]=4 6855 B13R1.511 C=C(F)COc1ccc(c(c1)Br)F 34a_100000693481_100009893438 [0,2,0,0,0,0|2,0,0]=4 6856 B13R1.511 C=C(F)COc1ccc(c(c1)Br)F 7a_100000693481_100000042424 [0,2,0,0,0,0|2,0,0]=4 6857 B13R1.511 C=C(F)COc1ccc(c(c1)Br)I 34a_100000701344_100009893438 [0,2,0,0,0,0|2,0,0]=4 6858 B13R1.511 C=C(F)COc1ccc(c(c1)Br)I 7a_100000701344_100000042424 [0,2,0,0,0,0|2,0,0]=4 6859 B13R1.511 C=C(F)COc1ccc(c(c1)Br)N 34a_100012001276_100009893438 [0,2,0,0,0,0|2,0,0]=4 6860 B13R1.511 C=C(F)COc1ccc(c(c1)Br)N 7a_100012001276_100000042424 [0,2,0,0,0,0|2,0,0]=4 6861 B13R1.511 C=C(F)COc1ccc(c(c1)C)Br 34a_100000690111_100009893438 [0,2,0,0,0,0|2,0,0]=4 6862 B13R1.511 C=C(F)COc1ccc(c(c1)C)Br 7a_100000690111_100000042424 [0,2,0,0,0,0|2,0,0]=4 6863 B13R1.511 C=C(F)COc1ccc(c(c1)C)C 34a_100000210932_100009893438 [0,2,0,0,0,0|2,0,0]=4 6864 B13R1.511 C=C(F)COc1ccc(c(c1)C)C 7a_100000210932_100000042424 [0,2,0,0,0,0|2,0,0]=4 6865 B13R1.511 C=C(F)COc1ccc(c(c1)C)Cl 34a_100000211092_100009893438 [0,2,0,0,0,0|2,0,0]=4 6866 B13R1.511 C=C(F)COc1ccc(c(c1)C)Cl 7a_100000211092_100000042424 [0,2,0,0,0,0|2,0,0]=4 6867 B13R1.511 C=C(F)COc1ccc(c(c1)C)F 34a_100000751312_100009893438 [0,2,0,0,0,0|2,0,0]=4 6868 B13R1.511 C=C(F)COc1ccc(c(c1)C)F 7a_100000751312_100000042424 [0,2,0,0,0,0|2,0,0]=4 6869 B13R1.511 C=C(F)COc1ccc(c(c1)C)I 34a_100000729255_100009893438 [0,2,0,0,0,0|2,0,0]=4 6870 B13R1.511 C=C(F)COc1ccc(c(c1)C)I 7a_100000729255_100000042424 [0,2,0,0,0,0|2,0,0]=4 6871 B13R1.511 C=C(F)COc1ccc(c(c1)C)N 34a_100000756630_100009893438 [0,2,0,0,0,0|2,0,0]=4 6872 B13R1.511 C=C(F)COc1ccc(c(c1)C)N 7a_100000756630_100000042424 [0,2,0,0,0,0|2,0,0]=4 6873 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)Br 34a_100011215161_100009893438 [0,2,0,0,0,0|2,0,0]=4 6874 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000042424 [0,2,0,0,0,0|2,0,0]=4 6875 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)C 34a_100011265682_100009893438 [0,2,0,0,0,0|2,0,0]=4 6876 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)C 7a_100011265682_100000042424 [0,2,0,0,0,0|2,0,0]=4 6877 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100009893438 [0,2,0,0,0,0|2,0,0]=4 6878 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000042424 [0,2,0,0,0,0|2,0,0]=4 6879 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)F 34a_100000211030_100009893438 [0,2,0,0,0,0|2,0,0]=4 6880 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)F 7a_100000211030_100000042424 [0,2,0,0,0,0|2,0,0]=4 6881 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)I 34a_100000047559_100009893438 [0,2,0,0,0,0|2,0,0]=4 6882 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)I 7a_100000047559_100000042424 [0,2,0,0,0,0|2,0,0]=4 6883 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)N 34a_100011215599_100009893438 [0,2,0,0,0,0|2,0,0]=4 6884 B13R1.511 C=C(F)COc1ccc(c(c1)Cl)N 7a_100011215599_100000042424 [0,2,0,0,0,0|2,0,0]=4 6885 B13R1.511 C=C(F)COc1ccc(c(c1)F)Br 34a_100000755031_100009893438 [0,2,0,0,0,0|2,0,0]=4 6886 B13R1.511 C=C(F)COc1ccc(c(c1)F)Br 7a_100000755031_100000042424 [0,2,0,0,0,0|2,0,0]=4 6887 B13R1.511 C=C(F)COc1ccc(c(c1)F)C 34a_100000722560_100009893438 [0,2,0,0,0,0|2,0,0]=4 6888 B13R1.511 C=C(F)COc1ccc(c(c1)F)C 7a_100000722560_100000042424 [0,2,0,0,0,0|2,0,0]=4 6889 B13R1.511 C=C(F)COc1ccc(c(c1)F)Cl 34a_100000691581_100009893438 [0,2,0,0,0,0|2,0,0]=4 6890 B13R1.511 C=C(F)COc1ccc(c(c1)F)Cl 7a_100000691581_100000042424 [0,2,0,0,0,0|2,0,0]=4 6891 B13R1.511 C=C(F)COc1ccc(c(c1)F)F 34a_100000181275_100009893438 [0,2,0,0,0,0|2,0,0]=4 6892 B13R1.511 C=C(F)COc1ccc(c(c1)F)F 7a_100000181275_100000042424 [0,2,0,0,0,0|2,0,0]=4 6893 B13R1.511 C=C(F)COc1ccc(c(c1)F)I 34a_100009990212_100009893438 [0,2,0,0,0,0|2,0,0]=4 6894 B13R1.511 C=C(F)COc1ccc(c(c1)F)I 7a_100009990212_100000042424 [0,2,0,0,0,0|2,0,0]=4 6895 B13R1.511 C=C(F)COc1ccc(c(c1)F)N 34a_100000759473_100009893438 [0,2,0,0,0,0|2,0,0]=4 6896 B13R1.511 C=C(F)COc1ccc(c(c1)F)N 7a_100000759473_100000042424 [0,2,0,0,0,0|2,0,0]=4 6897 B13R1.511 C=C(F)COc1ccc(c(c1)I)Br 34a_100012339312_100009893438 [0,2,0,0,0,0|2,0,0]=4 6898 B13R1.511 C=C(F)COc1ccc(c(c1)I)Br 7a_100012339312_100000042424 [0,2,0,0,0,0|2,0,0]=4 6899 B13R1.511 C=C(F)COc1ccc(c(c1)I)Cl 34a_100000049588_100009893438 [0,2,0,0,0,0|2,0,0]=4 6900 B13R1.511 C=C(F)COc1ccc(c(c1)I)Cl 7a_100000049588_100000042424 [0,2,0,0,0,0|2,0,0]=4 6901 B13R1.511 C=C(F)COc1ccc(c(c1)I)N 34a_100010084370_100009893438 [0,2,0,0,0,0|2,0,0]=4 6902 B13R1.511 C=C(F)COc1ccc(c(c1)I)N 7a_100010084370_100000042424 [0,2,0,0,0,0|2,0,0]=4 6903 B13R1.511 C=C(F)COc1ccc(c(c1)N)Br 34a_100011999798_100009893438 [0,2,0,0,0,0|2,0,0]=4 6904 B13R1.511 C=C(F)COc1ccc(c(c1)N)Br 7a_100011999798_100000042424 [0,2,0,0,0,0|2,0,0]=4 6905 B13R1.511 C=C(F)COc1ccc(c(c1)N)C 34a_100011216113_100009893438 [0,2,0,0,0,0|2,0,0]=4 6906 B13R1.511 C=C(F)COc1ccc(c(c1)N)C 7a_100011216113_100000042424 [0,2,0,0,0,0|2,0,0]=4 6907 B13R1.511 C=C(F)COc1ccc(c(c1)N)Cl 34a_100011934297_100009893438 [0,2,0,0,0,0|2,0,0]=4 6908 B13R1.511 C=C(F)COc1ccc(c(c1)N)F 34a_100012017239_100009893438 [0,2,0,0,0,0|2,0,0]=4 6909 B13R1.511 C=C(F)COc1ccc(c(c1)N)F 7a_100012017239_100000042424 [0,2,0,0,0,0|2,0,0]=4 6910 B13R1.511 C=C(F)COc1ccc(c(c1)N)N 34a_100025771000_100009893438 [0,2,0,0,0,0|2,0,0]=4 6911 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)C 1458a_100010220830_200000210301 [0,2,0,0,0,0|2,0,0]=4 6912 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200000210301 [0,2,0,0,0,0|2,0,0]=4 6913 B13R1.511 CC(=O)CCc1ccc(c(c1)C)C 1458a_100011338283_200000210301 [0,2,0,0,0,0|2,0,0]=4 6914 B13R1.511 CC(=O)CCc1ccc(c(c1)C)F 1458a_100011615030_200000210301 [0,2,0,0,0,0|2,0,0]=4 6915 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200000210301 [0,2,0,0,0,0|2,0,0]=4 6916 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000070787_100011713676 [0,2,0,0,0,0|2,0,0]=4 6917 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200000210301 [0,2,0,0,0,0|2,0,0]=4 6918 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100000070787_100012361305 [0,2,0,0,0,0|2,0,0]=4 6919 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200000210301 [0,2,0,0,0,0|2,0,0]=4 6920 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200000210301 [0,2,0,0,0,0|2,0,0]=4 6921 B13R1.511 CC(=O)CCc1ccc(c(c1)F)C 1458a_100011830284_200000210301 [0,2,0,0,0,0|2,0,0]=4 6922 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200000210301 [0,2,0,0,0,0|2,0,0]=4 6923 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000070787_100000690553 [0,2,0,0,0,0|2,0,0]=4 6924 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200000210301 [0,2,0,0,0,0|2,0,0]=4 6925 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [0,2,0,0,0,0|2,0,0]=4 6926 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [0,2,0,0,0,0|2,0,0]=4 6927 B13R1.511 CC(=O)COc1ccc(c(c1)C)C 1458a_100000182425_200000210301 [0,2,0,0,0,0|1,0,0]=3 6928 B13R1.511 CC(=O)COc1ccc(c(c1)C)Cl 1458a_100000182483_200000210301 [0,2,0,0,0,0|1,0,0]=3 6929 B13R1.511 CC(=O)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_200000210301 [0,2,0,0,0,0|1,0,0]=3 6930 B13R1.511 CC(=O)COc1ccc(c(c1)Cl)F 1458a_100000191248_200000210301 [0,2,0,0,0,0|1,0,0]=3 6931 B13R1.511 CC(=O)COc1ccc(c(c1)F)Cl 1458a_100012982646_200000210301 [0,2,0,0,0,0|1,0,0]=3 6932 B13R1.511 CC(=O)COc1ccc(c(c1)F)F 1458a_100000246063_200000210301 [0,2,0,0,0,0|1,0,0]=3 6933 B13R1.511 CC(=O)CSc1ccc(c(c1)F)F 1458a_100000204393_200000210301 [0,2,0,0,0,0|1,1,0]=4 6934 B13R1.511 CC(O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100011218427 [0,2,0,0,0,0|1,0,1]=4 6935 B13R1.511 CC(O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100011218427 [0,2,0,0,0,0|1,0,1]=4 6936 B13R1.511 CC(O)COc1ccc(c(c1)Br)F 34a_100000693481_100011218427 [0,2,0,0,0,0|1,0,1]=4 6937 B13R1.511 CC(O)COc1ccc(c(c1)Br)F 7a_100000693481_100011218427 [0,2,0,0,0,0|1,0,1]=4 6938 B13R1.511 CC(O)COc1ccc(c(c1)Br)I 34a_100000701344_100011218427 [0,2,0,0,0,0|1,0,1]=4 6939 B13R1.511 CC(O)COc1ccc(c(c1)Br)I 7a_100000701344_100011218427 [0,2,0,0,0,0|1,0,1]=4 6940 B13R1.511 CC(O)COc1ccc(c(c1)Br)N 34a_100012001276_100011218427 [0,2,0,0,0,0|1,0,1]=4 6941 B13R1.511 CC(O)COc1ccc(c(c1)Br)N 7a_100012001276_100011218427 [0,2,0,0,0,0|1,0,1]=4 6942 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100011218427 [0,2,0,0,0,0|1,0,1]=4 6943 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100011218427 [0,2,0,0,0,0|1,0,1]=4 6944 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100011218427 [0,2,0,0,0,0|1,0,1]=4 6945 B13R1.511 CC(O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100011218427 [0,2,0,0,0,0|1,0,1]=4 6946 B13R1.511 CC(O)COc1ccc(c(c1)Cl)F 34a_100000211030_100011218427 [0,2,0,0,0,0|1,0,1]=4 6947 B13R1.511 CC(O)COc1ccc(c(c1)Cl)F 7a_100000211030_100011218427 [0,2,0,0,0,0|1,0,1]=4 6948 B13R1.511 CC(O)COc1ccc(c(c1)Cl)I 34a_100000047559_100011218427 [0,2,0,0,0,0|1,0,1]=4 6949 B13R1.511 CC(O)COc1ccc(c(c1)Cl)I 7a_100000047559_100011218427 [0,2,0,0,0,0|1,0,1]=4 6950 B13R1.511 CC(O)COc1ccc(c(c1)Cl)N 34a_100011215599_100011218427 [0,2,0,0,0,0|1,0,1]=4 6951 B13R1.511 CC(O)COc1ccc(c(c1)Cl)N 7a_100011215599_100011218427 [0,2,0,0,0,0|1,0,1]=4 6952 B13R1.511 CC(O)COc1ccc(c(c1)F)Br 34a_100000755031_100011218427 [0,2,0,0,0,0|1,0,1]=4 6953 B13R1.511 CC(O)COc1ccc(c(c1)F)Br 7a_100000755031_100011218427 [0,2,0,0,0,0|1,0,1]=4 6954 B13R1.511 CC(O)COc1ccc(c(c1)F)Cl 34a_100000691581_100011218427 [0,2,0,0,0,0|1,0,1]=4 6955 B13R1.511 CC(O)COc1ccc(c(c1)F)Cl 7a_100000691581_100011218427 [0,2,0,0,0,0|1,0,1]=4 6956 B13R1.511 CC(O)COc1ccc(c(c1)F)F 34a_100000181275_100011218427 [0,2,0,0,0,0|1,0,1]=4 6957 B13R1.511 CC(O)COc1ccc(c(c1)F)F 7a_100000181275_100011218427 [0,2,0,0,0,0|1,0,1]=4 6958 B13R1.511 CC(O)COc1ccc(c(c1)F)I 34a_100009990212_100011218427 [0,2,0,0,0,0|1,0,1]=4 6959 B13R1.511 CC(O)COc1ccc(c(c1)F)I 7a_100009990212_100011218427 [0,2,0,0,0,0|1,0,1]=4 6960 B13R1.511 CC(O)COc1ccc(c(c1)F)N 34a_100000759473_100011218427 [0,2,0,0,0,0|1,0,1]=4 6961 B13R1.511 CC(O)COc1ccc(c(c1)F)N 7a_100000759473_100011218427 [0,2,0,0,0,0|1,0,1]=4 6962 B13R1.511 CC(O)COc1ccc(c(c1)I)Br 34a_100012339312_100011218427 [0,2,0,0,0,0|1,0,1]=4 6963 B13R1.511 CC(O)COc1ccc(c(c1)I)Br 7a_100012339312_100011218427 [0,2,0,0,0,0|1,0,1]=4 6964 B13R1.511 CC(O)COc1ccc(c(c1)I)Cl 34a_100000049588_100011218427 [0,2,0,0,0,0|1,0,1]=4 6965 B13R1.511 CC(O)COc1ccc(c(c1)I)Cl 7a_100000049588_100011218427 [0,2,0,0,0,0|1,0,1]=4 6966 B13R1.511 CC(O)COc1ccc(c(c1)I)N 34a_100010084370_100011218427 [0,2,0,0,0,0|1,0,1]=4 6967 B13R1.511 CC(O)COc1ccc(c(c1)I)N 7a_100010084370_100011218427 [0,2,0,0,0,0|1,0,1]=4 6968 B13R1.511 CC(O)COc1ccc(c(c1)N)Br 34a_100011999798_100011218427 [0,2,0,0,0,0|1,0,1]=4 6969 B13R1.511 CC(O)COc1ccc(c(c1)N)Br 7a_100011999798_100011218427 [0,2,0,0,0,0|1,0,1]=4 6970 B13R1.511 CC(O)COc1ccc(c(c1)N)Cl 34a_100011934297_100011218427 [0,2,0,0,0,0|1,0,1]=4 6971 B13R1.511 CC(O)COc1ccc(c(c1)N)F 34a_100012017239_100011218427 [0,2,0,0,0,0|1,0,1]=4 6972 B13R1.511 CC(O)COc1ccc(c(c1)N)F 7a_100012017239_100011218427 [0,2,0,0,0,0|1,0,1]=4 6973 B13R1.511 CC(O)COc1ccc(c(c1)N)N 34a_100025771000_100011218427 [0,2,0,0,0,0|1,0,1]=4 6974 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100009817552 [0,2,0,0,0,0|1,0,1]=4 6975 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100009817552 [0,2,0,0,0,0|1,0,1]=4 6976 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)F 34a_100000693481_100009817552 [0,2,0,0,0,0|1,0,1]=4 6977 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)F 7a_100000693481_100009817552 [0,2,0,0,0,0|1,0,1]=4 6978 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)I 34a_100000701344_100009817552 [0,2,0,0,0,0|1,0,1]=4 6979 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)I 7a_100000701344_100009817552 [0,2,0,0,0,0|1,0,1]=4 6980 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)N 34a_100012001276_100009817552 [0,2,0,0,0,0|1,0,1]=4 6981 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Br)N 7a_100012001276_100009817552 [0,2,0,0,0,0|1,0,1]=4 6982 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100009817552 [0,2,0,0,0,0|1,0,1]=4 6983 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100009817552 [0,2,0,0,0,0|1,0,1]=4 6984 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100009817552 [0,2,0,0,0,0|1,0,1]=4 6985 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100009817552 [0,2,0,0,0,0|1,0,1]=4 6986 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)F 34a_100000211030_100009817552 [0,2,0,0,0,0|1,0,1]=4 6987 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)F 7a_100000211030_100009817552 [0,2,0,0,0,0|1,0,1]=4 6988 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)I 34a_100000047559_100009817552 [0,2,0,0,0,0|1,0,1]=4 6989 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)I 7a_100000047559_100009817552 [0,2,0,0,0,0|1,0,1]=4 6990 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)N 34a_100011215599_100009817552 [0,2,0,0,0,0|1,0,1]=4 6991 B13R1.511 C[C@@H](O)COc1ccc(c(c1)Cl)N 7a_100011215599_100009817552 [0,2,0,0,0,0|1,0,1]=4 6992 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Br 34a_100000755031_100009817552 [0,2,0,0,0,0|1,0,1]=4 6993 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Br 7a_100000755031_100009817552 [0,2,0,0,0,0|1,0,1]=4 6994 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Cl 34a_100000691581_100009817552 [0,2,0,0,0,0|1,0,1]=4 6995 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)Cl 7a_100000691581_100009817552 [0,2,0,0,0,0|1,0,1]=4 6996 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)F 34a_100000181275_100009817552 [0,2,0,0,0,0|1,0,1]=4 6997 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)F 7a_100000181275_100009817552 [0,2,0,0,0,0|1,0,1]=4 6998 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)I 34a_100009990212_100009817552 [0,2,0,0,0,0|1,0,1]=4 6999 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)I 7a_100009990212_100009817552 [0,2,0,0,0,0|1,0,1]=4 7000 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)N 34a_100000759473_100009817552 [0,2,0,0,0,0|1,0,1]=4 7001 B13R1.511 C[C@@H](O)COc1ccc(c(c1)F)N 7a_100000759473_100009817552 [0,2,0,0,0,0|1,0,1]=4 7002 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Br 34a_100012339312_100009817552 [0,2,0,0,0,0|1,0,1]=4 7003 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Br 7a_100012339312_100009817552 [0,2,0,0,0,0|1,0,1]=4 7004 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Cl 34a_100000049588_100009817552 [0,2,0,0,0,0|1,0,1]=4 7005 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)Cl 7a_100000049588_100009817552 [0,2,0,0,0,0|1,0,1]=4 7006 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)N 34a_100010084370_100009817552 [0,2,0,0,0,0|1,0,1]=4 7007 B13R1.511 C[C@@H](O)COc1ccc(c(c1)I)N 7a_100010084370_100009817552 [0,2,0,0,0,0|1,0,1]=4 7008 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)Br 34a_100011999798_100009817552 [0,2,0,0,0,0|1,0,1]=4 7009 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)Br 7a_100011999798_100009817552 [0,2,0,0,0,0|1,0,1]=4 7010 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)Cl 34a_100011934297_100009817552 [0,2,0,0,0,0|1,0,1]=4 7011 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)F 34a_100012017239_100009817552 [0,2,0,0,0,0|1,0,1]=4 7012 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)F 7a_100012017239_100009817552 [0,2,0,0,0,0|1,0,1]=4 7013 B13R1.511 C[C@@H](O)COc1ccc(c(c1)N)N 34a_100025771000_100009817552 [0,2,0,0,0,0|1,0,1]=4 7014 B13R1.511 Cc1cc(ccc1Br)NCC(=O)N 2230a_100000210723_100000747473 [0,2,0,0,0,0|2,0,0]=4 7015 B13R1.511 Cc1cc(ccc1Br)NCC(=O)N 34a_100000210723_100000187820 [0,2,0,0,0,0|2,0,0]=4 7016 B13R1.511 Cc1cc(ccc1Br)NCC(=O)N 7a_100000210723_100000187820 [0,2,0,0,0,0|2,0,0]=4 7017 B13R1.511 Cc1cc(ccc1Br)NCC(=O)[O-] 34a_100000210723_100020667443 [0,2,0,0,0,0|1,0,1]=4 7018 B13R1.511 Cc1cc(ccc1Br)OCC(=O)N 34a_100000690111_100000187820 [0,2,0,0,0,0|1,0,0]=3 7019 B13R1.511 Cc1cc(ccc1Br)OCC(=O)N 7a_100000690111_100000187820 [0,2,0,0,0,0|1,0,0]=3 7020 B13R1.511 Cc1cc(ccc1Br)OCC(=O)[O-] 34a_100000690111_100020667443 [0,2,0,0,0,0|0,0,1]=3 7021 B13R1.511 Cc1cc(ccc1Br)OCC(C)O 34a_100000690111_100011218427 [0,2,0,0,0,0|1,0,1]=4 7022 B13R1.511 Cc1cc(ccc1Br)OCC(C)O 7a_100000690111_100011218427 [0,2,0,0,0,0|1,0,1]=4 7023 B13R1.511 Cc1cc(ccc1Br)OC[C@@H](C)O 34a_100000690111_100009817552 [0,2,0,0,0,0|1,0,1]=4 7024 B13R1.511 Cc1cc(ccc1Br)OC[C@@H](C)O 7a_100000690111_100009817552 [0,2,0,0,0,0|1,0,1]=4 7025 B13R1.511 Cc1cc(ccc1Br)OC[N+](=O)[O-] 34a_100000690111_100000761209 [0,2,0,0,0,0|1,0,1]=4 7026 B13R1.511 Cc1cc(ccc1Br)SCC(=O)N 62a_100000747473_100009813585 [0,2,0,0,0,0|1,1,0]=4 7027 B13R1.511 Cc1cc(ccc1Br)SCC(=O)N 62a_100009813585_100000747473 [0,2,0,0,0,0|1,1,0]=4 7028 B13R1.511 Cc1cc(ccc1Br)SCC(=O)[O-] 62a_100009813585_100020667443 [0,2,0,0,0,0|0,1,1]=4 7029 B13R1.511 Cc1cc(ccc1Br)SCC(=O)[O-] 62a_100020667443_100009813585 [0,2,0,0,0,0|0,1,1]=4 7030 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)N 2230a_100000187808_100000747473 [0,2,0,0,0,0|2,0,0]=4 7031 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)N 34a_100000187808_100000187820 [0,2,0,0,0,0|2,0,0]=4 7032 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)N 7a_100000187808_100000187820 [0,2,0,0,0,0|2,0,0]=4 7033 B13R1.511 Cc1cc(ccc1Cl)NCC(=O)[O-] 34a_100000187808_100020667443 [0,2,0,0,0,0|1,0,1]=4 7034 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)N 34a_100000211092_100000187820 [0,2,0,0,0,0|1,0,0]=3 7035 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)N 7a_100000211092_100000187820 [0,2,0,0,0,0|1,0,0]=3 7036 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)[13CH3] 1458a_100000182483_200025704644 [0,2,0,0,0,0|1,0,0]=3 7037 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)[O-] 34a_100000211092_100020667443 [0,2,0,0,0,0|0,0,1]=3 7038 B13R1.511 Cc1cc(ccc1Cl)OCC(C)O 34a_100000211092_100011218427 [0,2,0,0,0,0|1,0,1]=4 7039 B13R1.511 Cc1cc(ccc1Cl)OCC(C)O 7a_100000211092_100011218427 [0,2,0,0,0,0|1,0,1]=4 7040 B13R1.511 Cc1cc(ccc1Cl)OC[C@@H](C)O 34a_100000211092_100009817552 [0,2,0,0,0,0|1,0,1]=4 7041 B13R1.511 Cc1cc(ccc1Cl)OC[C@@H](C)O 7a_100000211092_100009817552 [0,2,0,0,0,0|1,0,1]=4 7042 B13R1.511 Cc1cc(ccc1Cl)OC[N+](=O)[O-] 34a_100000211092_100000761209 [0,2,0,0,0,0|1,0,1]=4 7043 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)N 62a_100000049509_100000747473 [0,2,0,0,0,0|1,1,0]=4 7044 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)N 62a_100000747473_100000049509 [0,2,0,0,0,0|1,1,0]=4 7045 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)[O-] 62a_100000049509_100020667443 [0,2,0,0,0,0|0,1,1]=4 7046 B13R1.511 Cc1cc(ccc1Cl)SCC(=O)[O-] 62a_100020667443_100000049509 [0,2,0,0,0,0|0,1,1]=4 7047 B13R1.511 Cc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100011615030_200025704644 [0,2,0,0,0,0|2,0,0]=4 7048 B13R1.511 Cc1cc(ccc1F)NCC(=O)N 2230a_100000750164_100000747473 [0,2,0,0,0,0|2,0,0]=4 7049 B13R1.511 Cc1cc(ccc1F)NCC(=O)N 34a_100000750164_100000187820 [0,2,0,0,0,0|2,0,0]=4 7050 B13R1.511 Cc1cc(ccc1F)NCC(=O)N 7a_100000750164_100000187820 [0,2,0,0,0,0|2,0,0]=4 7051 B13R1.511 Cc1cc(ccc1F)NCC(=O)[O-] 34a_100000750164_100020667443 [0,2,0,0,0,0|1,0,1]=4 7052 B13R1.511 Cc1cc(ccc1F)OCC(=O)N 34a_100000751312_100000187820 [0,2,0,0,0,0|1,0,0]=3 7053 B13R1.511 Cc1cc(ccc1F)OCC(=O)N 7a_100000751312_100000187820 [0,2,0,0,0,0|1,0,0]=3 7054 B13R1.511 Cc1cc(ccc1F)OCC(=O)[O-] 34a_100000751312_100020667443 [0,2,0,0,0,0|0,0,1]=3 7055 B13R1.511 Cc1cc(ccc1F)OCC(C)O 34a_100000751312_100011218427 [0,2,0,0,0,0|1,0,1]=4 7056 B13R1.511 Cc1cc(ccc1F)OCC(C)O 7a_100000751312_100011218427 [0,2,0,0,0,0|1,0,1]=4 7057 B13R1.511 Cc1cc(ccc1F)OC[C@@H](C)O 34a_100000751312_100009817552 [0,2,0,0,0,0|1,0,1]=4 7058 B13R1.511 Cc1cc(ccc1F)OC[C@@H](C)O 7a_100000751312_100009817552 [0,2,0,0,0,0|1,0,1]=4 7059 B13R1.511 Cc1cc(ccc1F)OC[N+](=O)[O-] 34a_100000751312_100000761209 [0,2,0,0,0,0|1,0,1]=4 7060 B13R1.511 Cc1cc(ccc1F)SCC(=O)N 62a_100000747473_100011218330 [0,2,0,0,0,0|1,1,0]=4 7061 B13R1.511 Cc1cc(ccc1F)SCC(=O)N 62a_100011218330_100000747473 [0,2,0,0,0,0|1,1,0]=4 7062 B13R1.511 Cc1cc(ccc1F)SCC(=O)[O-] 62a_100011218330_100020667443 [0,2,0,0,0,0|0,1,1]=4 7063 B13R1.511 Cc1cc(ccc1F)SCC(=O)[O-] 62a_100020667443_100011218330 [0,2,0,0,0,0|0,1,1]=4 7064 B13R1.511 Cc1cc(ccc1I)NCC(=O)N 34a_100000198070_100000187820 [0,2,0,0,0,0|2,0,0]=4 7065 B13R1.511 Cc1cc(ccc1I)NCC(=O)N 7a_100000198070_100000187820 [0,2,0,0,0,0|2,0,0]=4 7066 B13R1.511 Cc1cc(ccc1I)NCC(=O)[O-] 34a_100000198070_100020667443 [0,2,0,0,0,0|1,0,1]=4 7067 B13R1.511 Cc1cc(ccc1I)OCC(=O)N 34a_100000729255_100000187820 [0,2,0,0,0,0|1,0,0]=3 7068 B13R1.511 Cc1cc(ccc1I)OCC(=O)N 7a_100000729255_100000187820 [0,2,0,0,0,0|1,0,0]=3 7069 B13R1.511 Cc1cc(ccc1I)OCC(=O)[O-] 34a_100000729255_100020667443 [0,2,0,0,0,0|0,0,1]=3 7070 B13R1.511 Cc1cc(ccc1I)OCC(C)O 34a_100000729255_100011218427 [0,2,0,0,0,0|1,0,1]=4 7071 B13R1.511 Cc1cc(ccc1I)OCC(C)O 7a_100000729255_100011218427 [0,2,0,0,0,0|1,0,1]=4 7072 B13R1.511 Cc1cc(ccc1I)OC[C@@H](C)O 34a_100000729255_100009817552 [0,2,0,0,0,0|1,0,1]=4 7073 B13R1.511 Cc1cc(ccc1I)OC[C@@H](C)O 7a_100000729255_100009817552 [0,2,0,0,0,0|1,0,1]=4 7074 B13R1.511 Cc1cc(ccc1I)OC[N+](=O)[O-] 34a_100000729255_100000761209 [0,2,0,0,0,0|1,0,1]=4 7075 B13R1.511 Cc1cc(ccc1N)OCC(=O)N 34a_100000756630_100000187820 [0,2,0,0,0,0|1,0,0]=3 7076 B13R1.511 Cc1cc(ccc1N)OCC(=O)N 7a_100000756630_100000187820 [0,2,0,0,0,0|1,0,0]=3 7077 B13R1.511 Cc1cc(ccc1N)OCC(=O)[O-] 34a_100000756630_100020667443 [0,2,0,0,0,0|0,0,1]=3 7078 B13R1.511 Cc1cc(ccc1N)OCC(C)O 34a_100000756630_100011218427 [0,2,0,0,0,0|1,0,1]=4 7079 B13R1.511 Cc1cc(ccc1N)OCC(C)O 7a_100000756630_100011218427 [0,2,0,0,0,0|1,0,1]=4 7080 B13R1.511 Cc1cc(ccc1N)OC[C@@H](C)O 34a_100000756630_100009817552 [0,2,0,0,0,0|1,0,1]=4 7081 B13R1.511 Cc1cc(ccc1N)OC[C@@H](C)O 7a_100000756630_100009817552 [0,2,0,0,0,0|1,0,1]=4 7082 B13R1.511 Cc1cc(ccc1N)OC[N+](=O)[O-] 34a_100000756630_100000761209 [0,2,0,0,0,0|1,0,1]=4 7083 B13R1.511 Cc1cc(ccc1N)SCC(=O)N 62a_100000211769_100000747473 [0,2,0,0,0,0|1,1,0]=4 7084 B13R1.511 Cc1cc(ccc1N)SCC(=O)N 62a_100000747473_100000211769 [0,2,0,0,0,0|1,1,0]=4 7085 B13R1.511 Cc1cc(ccc1N)SCC(=O)[O-] 62a_100000211769_100020667443 [0,2,0,0,0,0|0,1,1]=4 7086 B13R1.511 Cc1cc(ccc1N)SCC(=O)[O-] 62a_100020667443_100000211769 [0,2,0,0,0,0|0,1,1]=4 7087 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 34a_100011218179_100000187820 [0,2,0,0,0,0|2,0,0]=4 7088 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 7a_100011218179_100000187820 [0,2,0,0,0,0|2,0,0]=4 7089 B13R1.511 Cc1cc(ccc1O)NCC(=O)[O-] 34a_100011218179_100020667443 [0,2,0,0,0,0|1,0,1]=4 7090 B13R1.511 Cc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000186361 [0,2,0,0,0,0|1,1,0]=4 7091 B13R1.511 Cc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000186361 [0,2,0,0,0,0|0,1,1]=4 7092 B13R1.511 Cc1cc(cnc1Br)OCC(=O)N 34a_100012000486_100000187820 [0,2,0,0,0,0|2,0,0]=4 7093 B13R1.511 Cc1cc(cnc1Br)OCC(=O)N 7a_100012000486_100000187820 [0,2,0,0,0,0|2,0,0]=4 7094 B13R1.511 Cc1cc(cnc1Br)OCC(=O)[O-] 34a_100012000486_100020667443 [0,2,0,0,0,0|1,0,1]=4 7095 B13R1.511 Cc1cc(cnc1C)OCC(=O)N 34a_100009854398_100000187820 [0,2,0,0,0,0|2,0,0]=4 7096 B13R1.511 Cc1cc(cnc1C)OCC(=O)N 7a_100009854398_100000187820 [0,2,0,0,0,0|2,0,0]=4 7097 B13R1.511 Cc1cc(cnc1C)OCC(=O)[O-] 34a_100009854398_100020667443 [0,2,0,0,0,0|1,0,1]=4 7098 B13R1.511 Cc1cc(cnc1Cl)OCC(=O)N 34a_100012002680_100000187820 [0,2,0,0,0,0|2,0,0]=4 7099 B13R1.511 Cc1cc(cnc1Cl)OCC(=O)N 7a_100012002680_100000187820 [0,2,0,0,0,0|2,0,0]=4 7100 B13R1.511 Cc1cc(cnc1Cl)OCC(=O)[O-] 34a_100012002680_100020667443 [0,2,0,0,0,0|1,0,1]=4 7101 B13R1.511 Cc1cc(cnc1F)OCC(=O)N 34a_100000094615_100000187820 [0,2,0,0,0,0|2,0,0]=4 7102 B13R1.511 Cc1cc(cnc1F)OCC(=O)N 7a_100000094615_100000187820 [0,2,0,0,0,0|2,0,0]=4 7103 B13R1.511 Cc1cc(cnc1F)OCC(=O)[O-] 34a_100000094615_100020667443 [0,2,0,0,0,0|1,0,1]=4 7104 B13R1.511 Cc1cc(ncc1Br)OCC(=O)N 34a_100000766222_100000187820 [0,2,0,0,0,0|2,0,0]=4 7105 B13R1.511 Cc1cc(ncc1Br)OCC(=O)[O-] 34a_100000766222_100020667443 [0,2,0,0,0,0|1,0,1]=4 7106 B13R1.511 Cc1cc(ncc1Cl)OCC(=O)N 34a_200000085746_100000187820 [0,2,0,0,0,0|2,0,0]=4 7107 B13R1.511 Cc1cc(ncc1Cl)OCC(=O)[O-] 34a_200000085746_100020667443 [0,2,0,0,0,0|1,0,1]=4 7108 B13R1.511 Cc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100010220830_200025704644 [0,2,0,0,0,0|2,0,0]=4 7109 B13R1.511 Cc1ccc(cc1Br)NCC(=O)N 2230a_100000736455_100000747473 [0,2,0,0,0,0|2,0,0]=4 7110 B13R1.511 Cc1ccc(cc1Br)NCC(=O)N 34a_100000736455_100000187820 [0,2,0,0,0,0|2,0,0]=4 7111 B13R1.511 Cc1ccc(cc1Br)NCC(=O)N 7a_100000736455_100000187820 [0,2,0,0,0,0|2,0,0]=4 7112 B13R1.511 Cc1ccc(cc1Br)NCC(=O)[O-] 34a_100000736455_100020667443 [0,2,0,0,0,0|1,0,1]=4 7113 B13R1.511 Cc1ccc(cc1Br)OCC(=O)N 34a_100011380479_100000187820 [0,2,0,0,0,0|1,0,0]=3 7114 B13R1.511 Cc1ccc(cc1Br)OCC(=O)N 7a_100011380479_100000187820 [0,2,0,0,0,0|1,0,0]=3 7115 B13R1.511 Cc1ccc(cc1Br)OCC(=O)[O-] 34a_100011380479_100020667443 [0,2,0,0,0,0|0,0,1]=3 7116 B13R1.511 Cc1ccc(cc1Br)OCC(C)O 34a_100011380479_100011218427 [0,2,0,0,0,0|1,0,1]=4 7117 B13R1.511 Cc1ccc(cc1Br)OCC(C)O 7a_100011380479_100011218427 [0,2,0,0,0,0|1,0,1]=4 7118 B13R1.511 Cc1ccc(cc1Br)OC[C@@H](C)O 34a_100011380479_100009817552 [0,2,0,0,0,0|1,0,1]=4 7119 B13R1.511 Cc1ccc(cc1Br)OC[C@@H](C)O 7a_100011380479_100009817552 [0,2,0,0,0,0|1,0,1]=4 7120 B13R1.511 Cc1ccc(cc1Br)OC[N+](=O)[O-] 34a_100011380479_100000761209 [0,2,0,0,0,0|1,0,1]=4 7121 B13R1.511 Cc1ccc(cc1Br)SCC(=O)N 62a_100000747473_100011847877 [0,2,0,0,0,0|1,1,0]=4 7122 B13R1.511 Cc1ccc(cc1Br)SCC(=O)N 62a_100011847877_100000747473 [0,2,0,0,0,0|1,1,0]=4 7123 B13R1.511 Cc1ccc(cc1Br)SCC(=O)[O-] 62a_100011847877_100020667443 [0,2,0,0,0,0|0,1,1]=4 7124 B13R1.511 Cc1ccc(cc1Br)SCC(=O)[O-] 62a_100020667443_100011847877 [0,2,0,0,0,0|0,1,1]=4 7125 B13R1.511 Cc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011338283_200025704644 [0,2,0,0,0,0|2,0,0]=4 7126 B13R1.511 Cc1ccc(cc1C)NCC(=O)N 2230a_100000724040_100000747473 [0,2,0,0,0,0|2,0,0]=4 7127 B13R1.511 Cc1ccc(cc1C)NCC(=O)N 34a_100000724040_100000187820 [0,2,0,0,0,0|2,0,0]=4 7128 B13R1.511 Cc1ccc(cc1C)NCC(=O)N 7a_100000724040_100000187820 [0,2,0,0,0,0|2,0,0]=4 7129 B13R1.511 Cc1ccc(cc1C)NCC(=O)[O-] 34a_100000724040_100020667443 [0,2,0,0,0,0|1,0,1]=4 7130 B13R1.511 Cc1ccc(cc1C)OCC(=O)N 34a_100000210932_100000187820 [0,2,0,0,0,0|1,0,0]=3 7131 B13R1.511 Cc1ccc(cc1C)OCC(=O)N 7a_100000210932_100000187820 [0,2,0,0,0,0|1,0,0]=3 7132 B13R1.511 Cc1ccc(cc1C)OCC(=O)[13CH3] 1458a_100000182425_200025704644 [0,2,0,0,0,0|1,0,0]=3 7133 B13R1.511 Cc1ccc(cc1C)OCC(=O)[O-] 34a_100000210932_100020667443 [0,2,0,0,0,0|0,0,1]=3 7134 B13R1.511 Cc1ccc(cc1C)OCC(C)O 34a_100000210932_100011218427 [0,2,0,0,0,0|1,0,1]=4 7135 B13R1.511 Cc1ccc(cc1C)OCC(C)O 7a_100000210932_100011218427 [0,2,0,0,0,0|1,0,1]=4 7136 B13R1.511 Cc1ccc(cc1C)OC[C@@H](C)O 34a_100000210932_100009817552 [0,2,0,0,0,0|1,0,1]=4 7137 B13R1.511 Cc1ccc(cc1C)OC[C@@H](C)O 7a_100000210932_100009817552 [0,2,0,0,0,0|1,0,1]=4 7138 B13R1.511 Cc1ccc(cc1C)OC[N+](=O)[O-] 34a_100000210932_100000761209 [0,2,0,0,0,0|1,0,1]=4 7139 B13R1.511 Cc1ccc(cc1C)SCC(=O)N 62a_100000747473_100011215607 [0,2,0,0,0,0|1,1,0]=4 7140 B13R1.511 Cc1ccc(cc1C)SCC(=O)N 62a_100011215607_100000747473 [0,2,0,0,0,0|1,1,0]=4 7141 B13R1.511 Cc1ccc(cc1C)SCC(=O)[O-] 62a_100011215607_100020667443 [0,2,0,0,0,0|0,1,1]=4 7142 B13R1.511 Cc1ccc(cc1C)SCC(=O)[O-] 62a_100020667443_100011215607 [0,2,0,0,0,0|0,1,1]=4 7143 B13R1.511 Cc1ccc(cc1Cl)NCC(=O)N 2230a_100000188892_100000747473 [0,2,0,0,0,0|2,0,0]=4 7144 B13R1.511 Cc1ccc(cc1Cl)NCC(=O)N 34a_100000188892_100000187820 [0,2,0,0,0,0|2,0,0]=4 7145 B13R1.511 Cc1ccc(cc1Cl)NCC(=O)N 7a_100000188892_100000187820 [0,2,0,0,0,0|2,0,0]=4 7146 B13R1.511 Cc1ccc(cc1Cl)NCC(=O)[O-] 34a_100000188892_100020667443 [0,2,0,0,0,0|1,0,1]=4 7147 B13R1.511 Cc1ccc(cc1Cl)OCC(=O)N 34a_100011265682_100000187820 [0,2,0,0,0,0|1,0,0]=3 7148 B13R1.511 Cc1ccc(cc1Cl)OCC(=O)N 7a_100011265682_100000187820 [0,2,0,0,0,0|1,0,0]=3 7149 B13R1.511 Cc1ccc(cc1Cl)OCC(=O)[O-] 34a_100011265682_100020667443 [0,2,0,0,0,0|0,0,1]=3 7150 B13R1.511 Cc1ccc(cc1Cl)OCC(C)O 34a_100011265682_100011218427 [0,2,0,0,0,0|1,0,1]=4 7151 B13R1.511 Cc1ccc(cc1Cl)OCC(C)O 7a_100011265682_100011218427 [0,2,0,0,0,0|1,0,1]=4 7152 B13R1.511 Cc1ccc(cc1Cl)OC[C@@H](C)O 34a_100011265682_100009817552 [0,2,0,0,0,0|1,0,1]=4 7153 B13R1.511 Cc1ccc(cc1Cl)OC[C@@H](C)O 7a_100011265682_100009817552 [0,2,0,0,0,0|1,0,1]=4 7154 B13R1.511 Cc1ccc(cc1Cl)OC[N+](=O)[O-] 34a_100011265682_100000761209 [0,2,0,0,0,0|1,0,1]=4 7155 B13R1.511 Cc1ccc(cc1Cl)SCC(=O)N 62a_100000747473_100011216363 [0,2,0,0,0,0|1,1,0]=4 7156 B13R1.511 Cc1ccc(cc1Cl)SCC(=O)N 62a_100011216363_100000747473 [0,2,0,0,0,0|1,1,0]=4 7157 B13R1.511 Cc1ccc(cc1Cl)SCC(=O)[O-] 62a_100011216363_100020667443 [0,2,0,0,0,0|0,1,1]=4 7158 B13R1.511 Cc1ccc(cc1Cl)SCC(=O)[O-] 62a_100020667443_100011216363 [0,2,0,0,0,0|0,1,1]=4 7159 B13R1.511 Cc1ccc(cc1F)CCC(=O)[13CH3] 1458a_100011830284_200025704644 [0,2,0,0,0,0|2,0,0]=4 7160 B13R1.511 Cc1ccc(cc1F)NCC(=O)N 2230a_100000210958_100000747473 [0,2,0,0,0,0|2,0,0]=4 7161 B13R1.511 Cc1ccc(cc1F)NCC(=O)N 34a_100000210958_100000187820 [0,2,0,0,0,0|2,0,0]=4 7162 B13R1.511 Cc1ccc(cc1F)NCC(=O)N 7a_100000210958_100000187820 [0,2,0,0,0,0|2,0,0]=4 7163 B13R1.511 Cc1ccc(cc1F)NCC(=O)[O-] 34a_100000210958_100020667443 [0,2,0,0,0,0|1,0,1]=4 7164 B13R1.511 Cc1ccc(cc1F)OCC(=O)N 34a_100000722560_100000187820 [0,2,0,0,0,0|1,0,0]=3 7165 B13R1.511 Cc1ccc(cc1F)OCC(=O)N 7a_100000722560_100000187820 [0,2,0,0,0,0|1,0,0]=3 7166 B13R1.511 Cc1ccc(cc1F)OCC(=O)[O-] 34a_100000722560_100020667443 [0,2,0,0,0,0|0,0,1]=3 7167 B13R1.511 Cc1ccc(cc1F)OCC(C)O 34a_100000722560_100011218427 [0,2,0,0,0,0|1,0,1]=4 7168 B13R1.511 Cc1ccc(cc1F)OCC(C)O 7a_100000722560_100011218427 [0,2,0,0,0,0|1,0,1]=4 7169 B13R1.511 Cc1ccc(cc1F)OC[C@@H](C)O 34a_100000722560_100009817552 [0,2,0,0,0,0|1,0,1]=4 7170 B13R1.511 Cc1ccc(cc1F)OC[C@@H](C)O 7a_100000722560_100009817552 [0,2,0,0,0,0|1,0,1]=4 7171 B13R1.511 Cc1ccc(cc1F)OC[N+](=O)[O-] 34a_100000722560_100000761209 [0,2,0,0,0,0|1,0,1]=4 7172 B13R1.511 Cc1ccc(cc1F)SCC(=O)N 62a_100000720648_100000747473 [0,2,0,0,0,0|1,1,0]=4 7173 B13R1.511 Cc1ccc(cc1F)SCC(=O)N 62a_100000747473_100000720648 [0,2,0,0,0,0|1,1,0]=4 7174 B13R1.511 Cc1ccc(cc1F)SCC(=O)[O-] 62a_100000720648_100020667443 [0,2,0,0,0,0|0,1,1]=4 7175 B13R1.511 Cc1ccc(cc1F)SCC(=O)[O-] 62a_100020667443_100000720648 [0,2,0,0,0,0|0,1,1]=4 7176 B13R1.511 Cc1ccc(cc1I)NCC(=O)N 34a_100000184131_100000187820 [0,2,0,0,0,0|2,0,0]=4 7177 B13R1.511 Cc1ccc(cc1I)NCC(=O)N 7a_100000184131_100000187820 [0,2,0,0,0,0|2,0,0]=4 7178 B13R1.511 Cc1ccc(cc1I)NCC(=O)[O-] 34a_100000184131_100020667443 [0,2,0,0,0,0|1,0,1]=4 7179 B13R1.511 Cc1ccc(cc1N)OCC(=O)N 34a_100011216113_100000187820 [0,2,0,0,0,0|1,0,0]=3 7180 B13R1.511 Cc1ccc(cc1N)OCC(=O)N 7a_100011216113_100000187820 [0,2,0,0,0,0|1,0,0]=3 7181 B13R1.511 Cc1ccc(cc1N)OCC(=O)[O-] 34a_100011216113_100020667443 [0,2,0,0,0,0|0,0,1]=3 7182 B13R1.511 Cc1ccc(cc1N)OCC(C)O 34a_100011216113_100011218427 [0,2,0,0,0,0|1,0,1]=4 7183 B13R1.511 Cc1ccc(cc1N)OCC(C)O 7a_100011216113_100011218427 [0,2,0,0,0,0|1,0,1]=4 7184 B13R1.511 Cc1ccc(cc1N)OC[C@@H](C)O 34a_100011216113_100009817552 [0,2,0,0,0,0|1,0,1]=4 7185 B13R1.511 Cc1ccc(cc1N)OC[C@@H](C)O 7a_100011216113_100009817552 [0,2,0,0,0,0|1,0,1]=4 7186 B13R1.511 Cc1ccc(cc1N)OC[N+](=O)[O-] 34a_100011216113_100000761209 [0,2,0,0,0,0|1,0,1]=4 7187 B13R1.511 Cc1ccc(cc1N)SCC(=O)N 62a_100000747473_100000761890 [0,2,0,0,0,0|1,1,0]=4 7188 B13R1.511 Cc1ccc(cc1N)SCC(=O)N 62a_100000761890_100000747473 [0,2,0,0,0,0|1,1,0]=4 7189 B13R1.511 Cc1ccc(cc1N)SCC(=O)[O-] 62a_100000761890_100020667443 [0,2,0,0,0,0|0,1,1]=4 7190 B13R1.511 Cc1ccc(cc1N)SCC(=O)[O-] 62a_100020667443_100000761890 [0,2,0,0,0,0|0,1,1]=4 7191 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 34a_100000759471_100000187820 [0,2,0,0,0,0|2,0,0]=4 7192 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 7a_100000759471_100000187820 [0,2,0,0,0,0|2,0,0]=4 7193 B13R1.511 Cc1ccc(cc1O)NCC(=O)[O-] 34a_100000759471_100020667443 [0,2,0,0,0,0|1,0,1]=4 7194 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000685420_100000747473 [0,2,0,0,0,0|1,1,0]=4 7195 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000747473_100000685420 [0,2,0,0,0,0|1,1,0]=4 7196 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100000685420_100020667443 [0,2,0,0,0,0|0,1,1]=4 7197 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000685420 [0,2,0,0,0,0|0,1,1]=4 7198 B13R1.511 Cc1cnc(cc1Br)OCC(=O)N 34a_100009831917_100000187820 [0,2,0,0,0,0|2,0,0]=4 7199 B13R1.511 Cc1cnc(cc1Br)OCC(=O)[O-] 34a_100009831917_100020667443 [0,2,0,0,0,0|1,0,1]=4 7200 B13R1.511 Cc1nc(ccc1Br)OCC(=O)N 34a_100000691680_100000187820 [0,2,0,0,0,0|2,0,0]=4 7201 B13R1.511 Cc1nc(ccc1Br)OCC(=O)[O-] 34a_100000691680_100020667443 [0,2,0,0,0,0|1,0,1]=4 7202 B13R1.511 Cc1nc(ccc1Cl)OCC(=O)N 34a_200009863735_100000187820 [0,2,0,0,0,0|2,0,0]=4 7203 B13R1.511 Cc1nc(ccc1Cl)OCC(=O)[O-] 34a_200009863735_100020667443 [0,2,0,0,0,0|1,0,1]=4 7204 B13R1.511 Cc1ncc(cc1Br)OCC(=O)N 34a_100009819603_100000187820 [0,2,0,0,0,0|2,0,0]=4 7205 B13R1.511 Cc1ncc(cc1Br)OCC(=O)N 7a_100009819603_100000187820 [0,2,0,0,0,0|2,0,0]=4 7206 B13R1.511 Cc1ncc(cc1Br)OCC(=O)[O-] 34a_100009819603_100020667443 [0,2,0,0,0,0|1,0,1]=4 7207 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)Br 2230a_100011306057_100000747473 [0,2,0,0,0,0|2,0,0]=4 7208 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)Br 34a_100011306057_100000187820 [0,2,0,0,0,0|2,0,0]=4 7209 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)Br 7a_100011306057_100000187820 [0,2,0,0,0,0|2,0,0]=4 7210 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)Cl 2230a_100000686031_100000747473 [0,2,0,0,0,0|2,0,0]=4 7211 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)Cl 34a_100000686031_100000187820 [0,2,0,0,0,0|2,0,0]=4 7212 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)F 2230a_100000760356_100000747473 [0,2,0,0,0,0|2,0,0]=4 7213 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)F 34a_100000760356_100000187820 [0,2,0,0,0,0|2,0,0]=4 7214 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)F 7a_100000760356_100000187820 [0,2,0,0,0,0|2,0,0]=4 7215 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)I 34a_100000750458_100000187820 [0,2,0,0,0,0|2,0,0]=4 7216 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000187820 [0,2,0,0,0,0|2,0,0]=4 7217 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)Br 2230a_100000687081_100000747473 [0,2,0,0,0,0|2,0,0]=4 7218 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)Br 34a_100000687081_100000187820 [0,2,0,0,0,0|2,0,0]=4 7219 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)Br 7a_100000687081_100000187820 [0,2,0,0,0,0|2,0,0]=4 7220 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000747473 [0,2,0,0,0,0|2,0,0]=4 7221 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100000187820 [0,2,0,0,0,0|2,0,0]=4 7222 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)F 2230a_100000211060_100000747473 [0,2,0,0,0,0|2,0,0]=4 7223 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)F 34a_100000211060_100000187820 [0,2,0,0,0,0|2,0,0]=4 7224 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)F 7a_100000211060_100000187820 [0,2,0,0,0,0|2,0,0]=4 7225 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)I 34a_100000761885_100000187820 [0,2,0,0,0,0|2,0,0]=4 7226 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000187820 [0,2,0,0,0,0|2,0,0]=4 7227 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Br 2230a_100000759894_100000747473 [0,2,0,0,0,0|2,0,0]=4 7228 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Br 34a_100000759894_100000187820 [0,2,0,0,0,0|2,0,0]=4 7229 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Br 7a_100000759894_100000187820 [0,2,0,0,0,0|2,0,0]=4 7230 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Cl 2230a_100000739366_100000747473 [0,2,0,0,0,0|2,0,0]=4 7231 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Cl 34a_100000739366_100000187820 [0,2,0,0,0,0|2,0,0]=4 7232 B13R1.511 NC(=O)CNc1ccc(c(c1)F)Cl 7a_100000739366_100000187820 [0,2,0,0,0,0|2,0,0]=4 7233 B13R1.511 NC(=O)CNc1ccc(c(c1)F)F 2230a_100000210724_100000747473 [0,2,0,0,0,0|2,0,0]=4 7234 B13R1.511 NC(=O)CNc1ccc(c(c1)F)F 34a_100000210724_100000187820 [0,2,0,0,0,0|2,0,0]=4 7235 B13R1.511 NC(=O)CNc1ccc(c(c1)F)F 7a_100000210724_100000187820 [0,2,0,0,0,0|2,0,0]=4 7236 B13R1.511 NC(=O)CNc1ccc(c(c1)F)I 34a_100011356925_100000187820 [0,2,0,0,0,0|2,0,0]=4 7237 B13R1.511 NC(=O)CNc1ccc(c(c1)F)I 7a_100011356925_100000187820 [0,2,0,0,0,0|2,0,0]=4 7238 B13R1.511 NC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000187820 [0,2,0,0,0,0|2,0,0]=4 7239 B13R1.511 NC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000187820 [0,2,0,0,0,0|2,0,0]=4 7240 B13R1.511 NC(=O)CNc1ccc(c(c1)I)Br 34a_100000750459_100000187820 [0,2,0,0,0,0|2,0,0]=4 7241 B13R1.511 NC(=O)CNc1ccc(c(c1)I)Cl 34a_100012360549_100000187820 [0,2,0,0,0,0|2,0,0]=4 7242 B13R1.511 NC(=O)CNc1ccc(c(c1)I)F 34a_114828291077_100000187820 [0,2,0,0,0,0|2,0,0]=4 7243 B13R1.511 NC(=O)CNc1ccc(c(c1)I)F 7a_114828291077_100000187820 [0,2,0,0,0,0|2,0,0]=4 7244 B13R1.511 NC(=O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000187820 [0,2,0,0,0,0|2,0,0]=4 7245 B13R1.511 NC(=O)CNc1ccc(c(c1)O)F 34a_100012017398_100000187820 [0,2,0,0,0,0|2,0,0]=4 7246 B13R1.511 NC(=O)CNc1ccc(c(c1)O)F 7a_100012017398_100000187820 [0,2,0,0,0,0|2,0,0]=4 7247 B13R1.511 NC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000187820 [0,2,0,0,0,0|2,0,0]=4 7248 B13R1.511 NC(=O)COc1cc(c(cn1)Br)Cl 34a_100010369989_100000187820 [0,2,0,0,0,0|2,0,0]=4 7249 B13R1.511 NC(=O)COc1cc(c(cn1)Cl)Cl 34a_200000099200_100000187820 [0,2,0,0,0,0|2,0,0]=4 7250 B13R1.511 NC(=O)COc1ccc(c(c1)Br)Cl 34a_100011933957_100000187820 [0,2,0,0,0,0|1,0,0]=3 7251 B13R1.511 NC(=O)COc1ccc(c(c1)Br)Cl 7a_100011933957_100000187820 [0,2,0,0,0,0|1,0,0]=3 7252 B13R1.511 NC(=O)COc1ccc(c(c1)Br)F 34a_100000693481_100000187820 [0,2,0,0,0,0|1,0,0]=3 7253 B13R1.511 NC(=O)COc1ccc(c(c1)Br)F 7a_100000693481_100000187820 [0,2,0,0,0,0|1,0,0]=3 7254 B13R1.511 NC(=O)COc1ccc(c(c1)Br)I 34a_100000701344_100000187820 [0,2,0,0,0,0|1,0,0]=3 7255 B13R1.511 NC(=O)COc1ccc(c(c1)Br)I 7a_100000701344_100000187820 [0,2,0,0,0,0|1,0,0]=3 7256 B13R1.511 NC(=O)COc1ccc(c(c1)Br)N 34a_100012001276_100000187820 [0,2,0,0,0,0|1,0,0]=3 7257 B13R1.511 NC(=O)COc1ccc(c(c1)Br)N 7a_100012001276_100000187820 [0,2,0,0,0,0|1,0,0]=3 7258 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Br 34a_100011215161_100000187820 [0,2,0,0,0,0|1,0,0]=3 7259 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Br 7a_100011215161_100000187820 [0,2,0,0,0,0|1,0,0]=3 7260 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000187820 [0,2,0,0,0,0|1,0,0]=3 7261 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)Cl 7a_100000211054_100000187820 [0,2,0,0,0,0|1,0,0]=3 7262 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)F 34a_100000211030_100000187820 [0,2,0,0,0,0|1,0,0]=3 7263 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)F 7a_100000211030_100000187820 [0,2,0,0,0,0|1,0,0]=3 7264 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)I 34a_100000047559_100000187820 [0,2,0,0,0,0|1,0,0]=3 7265 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)I 7a_100000047559_100000187820 [0,2,0,0,0,0|1,0,0]=3 7266 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)N 34a_100011215599_100000187820 [0,2,0,0,0,0|1,0,0]=3 7267 B13R1.511 NC(=O)COc1ccc(c(c1)Cl)N 7a_100011215599_100000187820 [0,2,0,0,0,0|1,0,0]=3 7268 B13R1.511 NC(=O)COc1ccc(c(c1)F)Br 34a_100000755031_100000187820 [0,2,0,0,0,0|1,0,0]=3 7269 B13R1.511 NC(=O)COc1ccc(c(c1)F)Br 7a_100000755031_100000187820 [0,2,0,0,0,0|1,0,0]=3 7270 B13R1.511 NC(=O)COc1ccc(c(c1)F)Cl 34a_100000691581_100000187820 [0,2,0,0,0,0|1,0,0]=3 7271 B13R1.511 NC(=O)COc1ccc(c(c1)F)Cl 7a_100000691581_100000187820 [0,2,0,0,0,0|1,0,0]=3 7272 B13R1.511 NC(=O)COc1ccc(c(c1)F)F 34a_100000181275_100000187820 [0,2,0,0,0,0|1,0,0]=3 7273 B13R1.511 NC(=O)COc1ccc(c(c1)F)F 7a_100000181275_100000187820 [0,2,0,0,0,0|1,0,0]=3 7274 B13R1.511 NC(=O)COc1ccc(c(c1)F)I 34a_100009990212_100000187820 [0,2,0,0,0,0|1,0,0]=3 7275 B13R1.511 NC(=O)COc1ccc(c(c1)F)I 7a_100009990212_100000187820 [0,2,0,0,0,0|1,0,0]=3 7276 B13R1.511 NC(=O)COc1ccc(c(c1)F)N 34a_100000759473_100000187820 [0,2,0,0,0,0|1,0,0]=3 7277 B13R1.511 NC(=O)COc1ccc(c(c1)F)N 7a_100000759473_100000187820 [0,2,0,0,0,0|1,0,0]=3 7278 B13R1.511 NC(=O)COc1ccc(c(c1)I)Br 34a_100012339312_100000187820 [0,2,0,0,0,0|1,0,0]=3 7279 B13R1.511 NC(=O)COc1ccc(c(c1)I)Br 7a_100012339312_100000187820 [0,2,0,0,0,0|1,0,0]=3 7280 B13R1.511 NC(=O)COc1ccc(c(c1)I)Cl 34a_100000049588_100000187820 [0,2,0,0,0,0|1,0,0]=3 7281 B13R1.511 NC(=O)COc1ccc(c(c1)I)Cl 7a_100000049588_100000187820 [0,2,0,0,0,0|1,0,0]=3 7282 B13R1.511 NC(=O)COc1ccc(c(c1)I)N 34a_100010084370_100000187820 [0,2,0,0,0,0|1,0,0]=3 7283 B13R1.511 NC(=O)COc1ccc(c(c1)I)N 7a_100010084370_100000187820 [0,2,0,0,0,0|1,0,0]=3 7284 B13R1.511 NC(=O)COc1ccc(c(c1)N)Br 34a_100011999798_100000187820 [0,2,0,0,0,0|1,0,0]=3 7285 B13R1.511 NC(=O)COc1ccc(c(c1)N)Br 7a_100011999798_100000187820 [0,2,0,0,0,0|1,0,0]=3 7286 B13R1.511 NC(=O)COc1ccc(c(c1)N)Cl 34a_100011934297_100000187820 [0,2,0,0,0,0|1,0,0]=3 7287 B13R1.511 NC(=O)COc1ccc(c(c1)N)F 34a_100012017239_100000187820 [0,2,0,0,0,0|1,0,0]=3 7288 B13R1.511 NC(=O)COc1ccc(c(c1)N)F 7a_100012017239_100000187820 [0,2,0,0,0,0|1,0,0]=3 7289 B13R1.511 NC(=O)COc1ccc(c(c1)N)N 34a_100025771000_100000187820 [0,2,0,0,0,0|1,0,0]=3 7290 B13R1.511 NC(=O)COc1ccc(c(n1)F)Br 34a_100009879308_100000187820 [0,2,0,0,0,0|2,0,0]=4 7291 B13R1.511 NC(=O)COc1cnc(c(c1)Br)Cl 34a_100012356455_100000187820 [0,2,0,0,0,0|2,0,0]=4 7292 B13R1.511 NC(=O)COc1cnc(c(c1)Br)Cl 7a_100012356455_100000187820 [0,2,0,0,0,0|2,0,0]=4 7293 B13R1.511 NC(=O)COc1cnc(c(c1)Br)F 34a_100009817267_100000187820 [0,2,0,0,0,0|2,0,0]=4 7294 B13R1.511 NC(=O)COc1cnc(c(c1)Br)F 7a_100009817267_100000187820 [0,2,0,0,0,0|2,0,0]=4 7295 B13R1.511 NC(=O)COc1cnc(c(c1)Cl)Br 34a_100010209684_100000187820 [0,2,0,0,0,0|2,0,0]=4 7296 B13R1.511 NC(=O)COc1cnc(c(c1)Cl)Br 7a_100010209684_100000187820 [0,2,0,0,0,0|2,0,0]=4 7297 B13R1.511 NC(=O)COc1cnc(c(c1)Cl)Cl 34a_100000094354_100000187820 [0,2,0,0,0,0|2,0,0]=4 7298 B13R1.511 NC(=O)COc1cnc(c(c1)Cl)Cl 7a_100000094354_100000187820 [0,2,0,0,0,0|2,0,0]=4 7299 B13R1.511 NC(=O)COc1cnc(c(c1)Cl)F 34a_100000087088_100000187820 [0,2,0,0,0,0|2,0,0]=4 7300 B13R1.511 NC(=O)COc1cnc(c(c1)Cl)F 7a_100000087088_100000187820 [0,2,0,0,0,0|2,0,0]=4 7301 B13R1.511 NC(=O)COc1cnc(c(c1)F)Cl 34a_100000063512_100000187820 [0,2,0,0,0,0|2,0,0]=4 7302 B13R1.511 NC(=O)COc1cnc(c(c1)F)Cl 7a_100000063512_100000187820 [0,2,0,0,0,0|2,0,0]=4 7303 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)Br 62a_100000747473_100012356285 [0,2,0,0,0,0|1,1,0]=4 7304 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)Br 62a_100012356285_100000747473 [0,2,0,0,0,0|1,1,0]=4 7305 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)Cl 62a_100000747473_100012353702 [0,2,0,0,0,0|1,1,0]=4 7306 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)Cl 62a_100012353702_100000747473 [0,2,0,0,0,0|1,1,0]=4 7307 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)F 62a_100000747473_100012047266 [0,2,0,0,0,0|1,1,0]=4 7308 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)F 62a_100012047266_100000747473 [0,2,0,0,0,0|1,1,0]=4 7309 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)N 62a_100000747473_100000750455 [0,2,0,0,0,0|1,1,0]=4 7310 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)N 62a_100000750455_100000747473 [0,2,0,0,0,0|1,1,0]=4 7311 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100000747473_100012361655 [0,2,0,0,0,0|1,1,0]=4 7312 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000747473 [0,2,0,0,0,0|1,1,0]=4 7313 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)Br 62a_100000747473_100012047281 [0,2,0,0,0,0|1,1,0]=4 7314 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)Br 62a_100012047281_100000747473 [0,2,0,0,0,0|1,1,0]=4 7315 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100000747473_100011214914 [0,2,0,0,0,0|1,1,0]=4 7316 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100000747473 [0,2,0,0,0,0|1,1,0]=4 7317 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)F 62a_100000747473_100011215976 [0,2,0,0,0,0|1,1,0]=4 7318 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)F 62a_100011215976_100000747473 [0,2,0,0,0,0|1,1,0]=4 7319 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)N 62a_100000747473_100011218065 [0,2,0,0,0,0|1,1,0]=4 7320 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)N 62a_100011218065_100000747473 [0,2,0,0,0,0|1,1,0]=4 7321 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)O 62a_100000747473_100012360047 [0,2,0,0,0,0|1,1,0]=4 7322 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000747473 [0,2,0,0,0,0|1,1,0]=4 7323 B13R1.511 NC(=O)CSc1ccc(c(c1)F)Br 62a_100000685389_100000747473 [0,2,0,0,0,0|1,1,0]=4 7324 B13R1.511 NC(=O)CSc1ccc(c(c1)F)Br 62a_100000747473_100000685389 [0,2,0,0,0,0|1,1,0]=4 7325 B13R1.511 NC(=O)CSc1ccc(c(c1)F)Cl 62a_100000747473_100011216805 [0,2,0,0,0,0|1,1,0]=4 7326 B13R1.511 NC(=O)CSc1ccc(c(c1)F)Cl 62a_100011216805_100000747473 [0,2,0,0,0,0|1,1,0]=4 7327 B13R1.511 NC(=O)CSc1ccc(c(c1)F)F 62a_100000703953_100000747473 [0,2,0,0,0,0|1,1,0]=4 7328 B13R1.511 NC(=O)CSc1ccc(c(c1)F)F 62a_100000747473_100000703953 [0,2,0,0,0,0|1,1,0]=4 7329 B13R1.511 NC(=O)CSc1ccc(c(c1)F)N 62a_100000747473_100011215594 [0,2,0,0,0,0|1,1,0]=4 7330 B13R1.511 NC(=O)CSc1ccc(c(c1)F)N 62a_100011215594_100000747473 [0,2,0,0,0,0|1,1,0]=4 7331 B13R1.511 NC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000747473 [0,2,0,0,0,0|1,1,0]=4 7332 B13R1.511 NC(=O)CSc1ccc(c(c1)F)O 62a_100000747473_100000185481 [0,2,0,0,0,0|1,1,0]=4 7333 B13R1.511 NC(=O)CSc1ccc(c(c1)N)Br 62a_100000747473_100000750456 [0,2,0,0,0,0|1,1,0]=4 7334 B13R1.511 NC(=O)CSc1ccc(c(c1)N)Br 62a_100000750456_100000747473 [0,2,0,0,0,0|1,1,0]=4 7335 B13R1.511 NC(=O)CSc1ccc(c(c1)N)Cl 62a_100000747473_200000761891 [0,2,0,0,0,0|1,1,0]=4 7336 B13R1.511 NC(=O)CSc1ccc(c(c1)N)Cl 62a_200000761891_100000747473 [0,2,0,0,0,0|1,1,0]=4 7337 B13R1.511 NC(=O)CSc1ccc(c(c1)N)F 62a_100000740924_100000747473 [0,2,0,0,0,0|1,1,0]=4 7338 B13R1.511 NC(=O)CSc1ccc(c(c1)N)F 62a_100000747473_100000740924 [0,2,0,0,0,0|1,1,0]=4 7339 B13R1.511 NC(=O)CSc1ccc(c(c1)N)N 62a_100000741789_100000747473 [0,2,0,0,0,0|1,1,0]=4 7340 B13R1.511 NC(=O)CSc1ccc(c(c1)N)N 62a_100000747473_100011534411 [0,2,0,0,0,0|1,1,0]=4 7341 B13R1.511 NC(=O)CSc1ccc(c(c1)N)O 62a_100000747473_100000752626 [0,2,0,0,0,0|1,1,0]=4 7342 B13R1.511 NC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000747473 [0,2,0,0,0,0|1,1,0]=4 7343 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Br 62a_100000747473_100012356990 [0,2,0,0,0,0|1,1,0]=4 7344 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Br 62a_100012356990_100000747473 [0,2,0,0,0,0|1,1,0]=4 7345 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Cl 62a_100000747473_100011356854 [0,2,0,0,0,0|1,1,0]=4 7346 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000747473 [0,2,0,0,0,0|1,1,0]=4 7347 B13R1.511 NC(=O)CSc1ccc(c(c1)O)F 62a_100000686035_100000747473 [0,2,0,0,0,0|1,1,0]=4 7348 B13R1.511 NC(=O)CSc1ccc(c(c1)O)F 62a_100000747473_100000686035 [0,2,0,0,0,0|1,1,0]=4 7349 B13R1.511 NC(=O)CSc1ccc(c(c1)O)N 62a_100000739049_100000747473 [0,2,0,0,0,0|1,1,0]=4 7350 B13R1.511 NC(=O)CSc1ccc(c(c1)O)N 62a_100000747473_100000739049 [0,2,0,0,0,0|1,1,0]=4 7351 B13R1.511 NC(=O)CSc1ccc(c(c1)O)O 62a_100000747473_100009813601 [0,2,0,0,0,0|1,1,0]=4 7352 B13R1.511 Nc1cc(ccc1Br)OCC(=O)[O-] 34a_100011999798_100020667443 [0,2,0,0,0,0|0,0,1]=3 7353 B13R1.511 Nc1cc(ccc1Br)OC[N+](=O)[O-] 34a_100011999798_100000761209 [0,2,0,0,0,0|1,0,1]=4 7354 B13R1.511 Nc1cc(ccc1Br)SCC(=O)[O-] 62a_100000750456_100020667443 [0,2,0,0,0,0|0,1,1]=4 7355 B13R1.511 Nc1cc(ccc1Br)SCC(=O)[O-] 62a_100020667443_100000750456 [0,2,0,0,0,0|0,1,1]=4 7356 B13R1.511 Nc1cc(ccc1Cl)OCC(=O)[O-] 34a_100011934297_100020667443 [0,2,0,0,0,0|0,0,1]=3 7357 B13R1.511 Nc1cc(ccc1Cl)OC[N+](=O)[O-] 34a_100011934297_100000761209 [0,2,0,0,0,0|1,0,1]=4 7358 B13R1.511 Nc1cc(ccc1Cl)SCC(=O)[O-] 62a_100020667443_200000761891 [0,2,0,0,0,0|0,1,1]=4 7359 B13R1.511 Nc1cc(ccc1Cl)SCC(=O)[O-] 62a_200000761891_100020667443 [0,2,0,0,0,0|0,1,1]=4 7360 B13R1.511 Nc1cc(ccc1F)OCC(=O)[O-] 34a_100012017239_100020667443 [0,2,0,0,0,0|0,0,1]=3 7361 B13R1.511 Nc1cc(ccc1F)OC[N+](=O)[O-] 34a_100012017239_100000761209 [0,2,0,0,0,0|1,0,1]=4 7362 B13R1.511 Nc1cc(ccc1F)SCC(=O)[O-] 62a_100000740924_100020667443 [0,2,0,0,0,0|0,1,1]=4 7363 B13R1.511 Nc1cc(ccc1F)SCC(=O)[O-] 62a_100020667443_100000740924 [0,2,0,0,0,0|0,1,1]=4 7364 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100000752626_100020667443 [0,2,0,0,0,0|0,1,1]=4 7365 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000752626 [0,2,0,0,0,0|0,1,1]=4 7366 B13R1.511 Nc1ccc(cc1Br)OCC(=O)[O-] 34a_100012001276_100020667443 [0,2,0,0,0,0|0,0,1]=3 7367 B13R1.511 Nc1ccc(cc1Br)OC[N+](=O)[O-] 34a_100012001276_100000761209 [0,2,0,0,0,0|1,0,1]=4 7368 B13R1.511 Nc1ccc(cc1Br)SCC(=O)[O-] 62a_100000750455_100020667443 [0,2,0,0,0,0|0,1,1]=4 7369 B13R1.511 Nc1ccc(cc1Br)SCC(=O)[O-] 62a_100020667443_100000750455 [0,2,0,0,0,0|0,1,1]=4 7370 B13R1.511 Nc1ccc(cc1Cl)OCC(=O)[O-] 34a_100011215599_100020667443 [0,2,0,0,0,0|0,0,1]=3 7371 B13R1.511 Nc1ccc(cc1Cl)OC[N+](=O)[O-] 34a_100011215599_100000761209 [0,2,0,0,0,0|1,0,1]=4 7372 B13R1.511 Nc1ccc(cc1Cl)SCC(=O)[O-] 62a_100011218065_100020667443 [0,2,0,0,0,0|0,1,1]=4 7373 B13R1.511 Nc1ccc(cc1Cl)SCC(=O)[O-] 62a_100020667443_100011218065 [0,2,0,0,0,0|0,1,1]=4 7374 B13R1.511 Nc1ccc(cc1F)OCC(=O)[O-] 34a_100000759473_100020667443 [0,2,0,0,0,0|0,0,1]=3 7375 B13R1.511 Nc1ccc(cc1F)OC[N+](=O)[O-] 34a_100000759473_100000761209 [0,2,0,0,0,0|1,0,1]=4 7376 B13R1.511 Nc1ccc(cc1F)SCC(=O)[O-] 62a_100011215594_100020667443 [0,2,0,0,0,0|0,1,1]=4 7377 B13R1.511 Nc1ccc(cc1F)SCC(=O)[O-] 62a_100020667443_100011215594 [0,2,0,0,0,0|0,1,1]=4 7378 B13R1.511 Nc1ccc(cc1I)OCC(=O)[O-] 34a_100010084370_100020667443 [0,2,0,0,0,0|0,0,1]=3 7379 B13R1.511 Nc1ccc(cc1I)OC[N+](=O)[O-] 34a_100010084370_100000761209 [0,2,0,0,0,0|1,0,1]=4 7380 B13R1.511 Nc1ccc(cc1N)OCC(=O)[O-] 34a_100025771000_100020667443 [0,2,0,0,0,0|0,0,1]=3 7381 B13R1.511 Nc1ccc(cc1N)OC[N+](=O)[O-] 34a_100025771000_100000761209 [0,2,0,0,0,0|1,0,1]=4 7382 B13R1.511 Nc1ccc(cc1N)SCC(=O)[O-] 62a_100000741789_100020667443 [0,2,0,0,0,0|0,1,1]=4 7383 B13R1.511 Nc1ccc(cc1N)SCC(=O)[O-] 62a_100020667443_100011534411 [0,2,0,0,0,0|0,1,1]=4 7384 B13R1.511 Nc1ccc(cc1O)SCC(=O)[O-] 62a_100000739049_100020667443 [0,2,0,0,0,0|0,1,1]=4 7385 B13R1.511 Nc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000739049 [0,2,0,0,0,0|0,1,1]=4 7386 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)Br 34a_100011306057_100020667443 [0,2,0,0,0,0|1,0,1]=4 7387 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)Cl 34a_100000686031_100020667443 [0,2,0,0,0,0|1,0,1]=4 7388 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)F 34a_100000760356_100020667443 [0,2,0,0,0,0|1,0,1]=4 7389 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)I 34a_100000750458_100020667443 [0,2,0,0,0,0|1,0,1]=4 7390 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)O 34a_100011534360_100020667443 [0,2,0,0,0,0|1,0,1]=4 7391 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)Br 34a_100000687081_100020667443 [0,2,0,0,0,0|1,0,1]=4 7392 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)Cl 34a_100000184108_100020667443 [0,2,0,0,0,0|1,0,1]=4 7393 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)F 34a_100000211060_100020667443 [0,2,0,0,0,0|1,0,1]=4 7394 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)I 34a_100000761885_100020667443 [0,2,0,0,0,0|1,0,1]=4 7395 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)O 34a_100000744943_100020667443 [0,2,0,0,0,0|1,0,1]=4 7396 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)Br 34a_100000759894_100020667443 [0,2,0,0,0,0|1,0,1]=4 7397 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)Cl 34a_100000739366_100020667443 [0,2,0,0,0,0|1,0,1]=4 7398 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)F 34a_100000210724_100020667443 [0,2,0,0,0,0|1,0,1]=4 7399 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)I 34a_100011356925_100020667443 [0,2,0,0,0,0|1,0,1]=4 7400 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)O 34a_100011220035_100020667443 [0,2,0,0,0,0|1,0,1]=4 7401 B13R1.511 O=C([O-])CNc1ccc(c(c1)I)Br 34a_100000750459_100020667443 [0,2,0,0,0,0|1,0,1]=4 7402 B13R1.511 O=C([O-])CNc1ccc(c(c1)I)Cl 34a_100012360549_100020667443 [0,2,0,0,0,0|1,0,1]=4 7403 B13R1.511 O=C([O-])CNc1ccc(c(c1)I)F 34a_114828291077_100020667443 [0,2,0,0,0,0|1,0,1]=4 7404 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)Cl 34a_100011934209_100020667443 [0,2,0,0,0,0|1,0,1]=4 7405 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)F 34a_100012017398_100020667443 [0,2,0,0,0,0|1,0,1]=4 7406 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100020667443 [0,2,0,0,0,0|1,0,1]=4 7407 B13R1.511 O=C([O-])COc1cc(c(cn1)Br)Cl 34a_100010369989_100020667443 [0,2,0,0,0,0|1,0,1]=4 7408 B13R1.511 O=C([O-])COc1cc(c(cn1)Cl)Cl 34a_200000099200_100020667443 [0,2,0,0,0,0|1,0,1]=4 7409 B13R1.511 O=C([O-])COc1ccc(c(c1)Br)Cl 34a_100011933957_100020667443 [0,2,0,0,0,0|0,0,1]=3 7410 B13R1.511 O=C([O-])COc1ccc(c(c1)Br)F 34a_100000693481_100020667443 [0,2,0,0,0,0|0,0,1]=3 7411 B13R1.511 O=C([O-])COc1ccc(c(c1)Br)I 34a_100000701344_100020667443 [0,2,0,0,0,0|0,0,1]=3 7412 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)Br 34a_100011215161_100020667443 [0,2,0,0,0,0|0,0,1]=3 7413 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)Cl 34a_100000211054_100020667443 [0,2,0,0,0,0|0,0,1]=3 7414 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)F 34a_100000211030_100020667443 [0,2,0,0,0,0|0,0,1]=3 7415 B13R1.511 O=C([O-])COc1ccc(c(c1)Cl)I 34a_100000047559_100020667443 [0,2,0,0,0,0|0,0,1]=3 7416 B13R1.511 O=C([O-])COc1ccc(c(c1)F)Br 34a_100000755031_100020667443 [0,2,0,0,0,0|0,0,1]=3 7417 B13R1.511 O=C([O-])COc1ccc(c(c1)F)Cl 34a_100000691581_100020667443 [0,2,0,0,0,0|0,0,1]=3 7418 B13R1.511 O=C([O-])COc1ccc(c(c1)F)F 34a_100000181275_100020667443 [0,2,0,0,0,0|0,0,1]=3 7419 B13R1.511 O=C([O-])COc1ccc(c(c1)F)I 34a_100009990212_100020667443 [0,2,0,0,0,0|0,0,1]=3 7420 B13R1.511 O=C([O-])COc1ccc(c(c1)I)Br 34a_100012339312_100020667443 [0,2,0,0,0,0|0,0,1]=3 7421 B13R1.511 O=C([O-])COc1ccc(c(c1)I)Cl 34a_100000049588_100020667443 [0,2,0,0,0,0|0,0,1]=3 7422 B13R1.511 O=C([O-])COc1ccc(c(n1)F)Br 34a_100009879308_100020667443 [0,2,0,0,0,0|1,0,1]=4 7423 B13R1.511 O=C([O-])COc1cnc(c(c1)Br)Cl 34a_100012356455_100020667443 [0,2,0,0,0,0|1,0,1]=4 7424 B13R1.511 O=C([O-])COc1cnc(c(c1)Br)F 34a_100009817267_100020667443 [0,2,0,0,0,0|1,0,1]=4 7425 B13R1.511 O=C([O-])COc1cnc(c(c1)Cl)Br 34a_100010209684_100020667443 [0,2,0,0,0,0|1,0,1]=4 7426 B13R1.511 O=C([O-])COc1cnc(c(c1)Cl)Cl 34a_100000094354_100020667443 [0,2,0,0,0,0|1,0,1]=4 7427 B13R1.511 O=C([O-])COc1cnc(c(c1)Cl)F 34a_100000087088_100020667443 [0,2,0,0,0,0|1,0,1]=4 7428 B13R1.511 O=C([O-])COc1cnc(c(c1)F)Cl 34a_100000063512_100020667443 [0,2,0,0,0,0|1,0,1]=4 7429 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)Br 62a_100012356285_100020667443 [0,2,0,0,0,0|0,1,1]=4 7430 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)Br 62a_100020667443_100012356285 [0,2,0,0,0,0|0,1,1]=4 7431 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)Cl 62a_100012353702_100020667443 [0,2,0,0,0,0|0,1,1]=4 7432 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)Cl 62a_100020667443_100012353702 [0,2,0,0,0,0|0,1,1]=4 7433 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)F 62a_100012047266_100020667443 [0,2,0,0,0,0|0,1,1]=4 7434 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)F 62a_100020667443_100012047266 [0,2,0,0,0,0|0,1,1]=4 7435 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100012361655_100020667443 [0,2,0,0,0,0|0,1,1]=4 7436 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100020667443_100012361655 [0,2,0,0,0,0|0,1,1]=4 7437 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)Br 62a_100012047281_100020667443 [0,2,0,0,0,0|0,1,1]=4 7438 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)Br 62a_100020667443_100012047281 [0,2,0,0,0,0|0,1,1]=4 7439 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)Cl 62a_100011214914_100020667443 [0,2,0,0,0,0|0,1,1]=4 7440 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)Cl 62a_100020667443_100011214914 [0,2,0,0,0,0|0,1,1]=4 7441 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)F 62a_100011215976_100020667443 [0,2,0,0,0,0|0,1,1]=4 7442 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)F 62a_100020667443_100011215976 [0,2,0,0,0,0|0,1,1]=4 7443 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100012360047_100020667443 [0,2,0,0,0,0|0,1,1]=4 7444 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100020667443_100012360047 [0,2,0,0,0,0|0,1,1]=4 7445 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)Br 62a_100000685389_100020667443 [0,2,0,0,0,0|0,1,1]=4 7446 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)Br 62a_100020667443_100000685389 [0,2,0,0,0,0|0,1,1]=4 7447 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)Cl 62a_100011216805_100020667443 [0,2,0,0,0,0|0,1,1]=4 7448 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)Cl 62a_100020667443_100011216805 [0,2,0,0,0,0|0,1,1]=4 7449 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)F 62a_100000703953_100020667443 [0,2,0,0,0,0|0,1,1]=4 7450 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)F 62a_100020667443_100000703953 [0,2,0,0,0,0|0,1,1]=4 7451 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100000185481_100020667443 [0,2,0,0,0,0|0,1,1]=4 7452 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100020667443_100000185481 [0,2,0,0,0,0|0,1,1]=4 7453 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Br 62a_100012356990_100020667443 [0,2,0,0,0,0|0,1,1]=4 7454 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Br 62a_100020667443_100012356990 [0,2,0,0,0,0|0,1,1]=4 7455 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Cl 62a_100011356854_100020667443 [0,2,0,0,0,0|0,1,1]=4 7456 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Cl 62a_100020667443_100011356854 [0,2,0,0,0,0|0,1,1]=4 7457 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)F 62a_100000686035_100020667443 [0,2,0,0,0,0|0,1,1]=4 7458 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)F 62a_100020667443_100000686035 [0,2,0,0,0,0|0,1,1]=4 7459 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)O 62a_100020667443_100009813601 [0,2,0,0,0,0|0,1,1]=4 7460 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Br)Cl 34a_100011933957_100000761209 [0,2,0,0,0,0|1,0,1]=4 7461 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Br)F 34a_100000693481_100000761209 [0,2,0,0,0,0|1,0,1]=4 7462 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Br)I 34a_100000701344_100000761209 [0,2,0,0,0,0|1,0,1]=4 7463 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Cl)Br 34a_100011215161_100000761209 [0,2,0,0,0,0|1,0,1]=4 7464 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Cl)Cl 34a_100000211054_100000761209 [0,2,0,0,0,0|1,0,1]=4 7465 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Cl)F 34a_100000211030_100000761209 [0,2,0,0,0,0|1,0,1]=4 7466 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)Cl)I 34a_100000047559_100000761209 [0,2,0,0,0,0|1,0,1]=4 7467 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)F)Br 34a_100000755031_100000761209 [0,2,0,0,0,0|1,0,1]=4 7468 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)F)Cl 34a_100000691581_100000761209 [0,2,0,0,0,0|1,0,1]=4 7469 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)F)F 34a_100000181275_100000761209 [0,2,0,0,0,0|1,0,1]=4 7470 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)F)I 34a_100009990212_100000761209 [0,2,0,0,0,0|1,0,1]=4 7471 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)I)Br 34a_100012339312_100000761209 [0,2,0,0,0,0|1,0,1]=4 7472 B13R1.511 O=[N+]([O-])COc1ccc(c(c1)I)Cl 34a_100000049588_100000761209 [0,2,0,0,0,0|1,0,1]=4 7473 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200025704644 [0,2,0,0,0,0|2,0,0]=4 7474 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200025704644 [0,2,0,0,0,0|2,0,0]=4 7475 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200025704644 [0,2,0,0,0,0|2,0,0]=4 7476 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200025704644 [0,2,0,0,0,0|2,0,0]=4 7477 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200025704644 [0,2,0,0,0,0|2,0,0]=4 7478 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200025704644 [0,2,0,0,0,0|2,0,0]=4 7479 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200025704644 [0,2,0,0,0,0|2,0,0]=4 7480 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [0,2,0,0,0,0|2,0,0]=4 7481 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)Cl)Cl 1458a_100000191221_200025704644 [0,2,0,0,0,0|1,0,0]=3 7482 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)Cl)F 1458a_100000191248_200025704644 [0,2,0,0,0,0|1,0,0]=3 7483 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)F)Cl 1458a_100012982646_200025704644 [0,2,0,0,0,0|1,0,0]=3 7484 B13R1.511 [13CH3]C(=O)COc1ccc(c(c1)F)F 1458a_100000246063_200025704644 [0,2,0,0,0,0|1,0,0]=3 7485 B13R1.511 [13CH3]C(=O)CSc1ccc(c(c1)F)F 1458a_100000204393_200025704644 [0,2,0,0,0,0|1,1,0]=4 7486 B13R1.512 CC(C)(O)COc1ccc(cc1)Br 34a_100000185759_100000764493 [0,2,0,0,0,0|1,0,1]=4 7487 B13R1.512 CC(C)(O)COc1ccc(cc1)Br 7a_100000185759_100000764493 [0,2,0,0,0,0|1,0,1]=4 7488 B13R1.512 CC(C)(O)COc1ccc(cc1)Cl 34a_100000210216_100000764493 [0,2,0,0,0,0|1,0,1]=4 7489 B13R1.512 CC(C)(O)COc1ccc(cc1)Cl 7a_100000210216_100000764493 [0,2,0,0,0,0|1,0,1]=4 7490 B13R1.512 CC(C)(O)COc1ccc(cc1)F 34a_100000210339_100000764493 [0,2,0,0,0,0|1,0,1]=4 7491 B13R1.512 CC(C)(O)COc1ccc(cc1)I 34a_100000212066_100000764493 [0,2,0,0,0,0|1,0,1]=4 7492 B13R1.512 CC(C)(O)COc1ccc(cc1)I 7a_100000212066_100000764493 [0,2,0,0,0,0|1,0,1]=4 7493 B13R1.512 CC(C)(O)COc1ccc(cc1)N 34a_100000185829_100000764493 [0,2,0,0,0,0|1,0,1]=4 7494 B13R1.512 Cc1ccc(cc1)OCC(C)(C)O 34a_100000210336_100000764493 [0,2,0,0,0,0|1,0,1]=4 7495 B13R1.512 Cc1ccc(cc1)OCC(C)(C)O 7a_100000210336_100000764493 [0,2,0,0,0,0|1,0,1]=4 7496 B13R1.512 Cc1ccc(cc1)OCS(=O)(=O)[O-] 34a_100000210336_100009817235 [0,2,0,0,0,0|1,0,1]=4 7497 B13R1.512 Nc1ccc(cc1)OCS(=O)(=O)[O-] 34a_100000185829_100009817235 [0,2,0,0,0,0|1,0,1]=4 7498 B13R1.512 O=S(=O)([O-])COc1ccc(cc1)Br 34a_100000185759_100009817235 [0,2,0,0,0,0|1,0,1]=4 7499 B13R1.512 O=S(=O)([O-])COc1ccc(cc1)Cl 34a_100000210216_100009817235 [0,2,0,0,0,0|1,0,1]=4 7500 B13R1.512 O=S(=O)([O-])COc1ccc(cc1)F 34a_100000210339_100009817235 [0,2,0,0,0,0|1,0,1]=4 7501 B13R1.512 O=S(=O)([O-])COc1ccc(cc1)I 34a_100000212066_100009817235 [0,2,0,0,0,0|1,0,1]=4 7502 B13R1.11 C#CC(=O)CC(=O)c1ccccc1 1458a_100000211873_100000211460 [0,2,0,0,0,0|2,0,0]=4 7503 B13R1.11 C#CC(=O)CC(C)c1ccccc1 1458a_100000211873_100000756946 [0,2,0,0,0,0|2,0,0]=4 7504 B13R1.11 C#CC(=O)CC(O)c1ccccc1 1458a_100000211873_100000185958 [0,2,0,0,0,0|2,0,0]=4 7505 B13R1.11 C#CC(=O)C[C@@H](O)c1ccccc1 1458a_100000211873_100011933945 [0,2,0,0,0,0|2,0,0]=4 7506 B13R1.11 C=CC(=O)CC(=O)c1ccccc1 1458a_100000185746_100000211460 [0,2,0,0,0,0|2,0,0]=4 7507 B13R1.11 C=CC(=O)CC(C)c1ccccc1 1458a_100000185746_100000756946 [0,2,0,0,0,0|2,0,0]=4 7508 B13R1.11 C=CC(=O)CC(O)c1ccccc1 1458a_100000185746_100000185958 [0,2,0,0,0,0|2,0,0]=4 7509 B13R1.11 C=CC(=O)C[C@@H](O)c1ccccc1 1458a_100000185746_100011933945 [0,2,0,0,0,0|2,0,0]=4 7510 B13R1.11 CC(CC(=O)CF)c1ccccc1 1458a_100000183687_100015361967 [0,2,0,0,0,0|2,0,0]=4 7511 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [0,2,0,0,0,0|1,0,0]=3 7512 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747405 [0,2,0,0,0,0|2,0,0]=4 7513 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000210414_100000211460 [0,2,0,0,0,0|2,0,0]=4 7514 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210202 [0,2,0,0,0,0|2,0,0]=4 7515 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000210414_100000756946 [0,2,0,0,0,0|2,0,0]=4 7516 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [0,2,0,0,0,0|2,0,0]=4 7517 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [0,2,0,0,0,0|2,0,0]=4 7518 B13R1.11 CCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210202 [0,2,0,0,0,0|2,0,0]=4 7519 B13R1.11 CCC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747405 [0,2,0,0,0,0|2,0,0]=4 7520 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [0,2,0,0,0,0|2,0,0]=4 7521 B13R1.11 CN(CC(=O)CF)c1ccccc1 1458a_100000745425_100015361967 [0,2,0,0,0,0|2,0,0]=4 7522 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183359 [0,2,0,0,0,0|2,0,0]=4 7523 B13R1.11 CNC(=O)CC(C)c1ccccc1 11a_106832991635_100000183687 [0,2,0,0,0,0|2,0,0]=4 7524 B13R1.11 CNC(=O)CC(C)c1ccccc1 1626a_100102657272_100000183687 [0,2,0,0,0,0|2,0,0]=4 7525 B13R1.11 CNC(=O)CC(C)c1ccccc1 240690a_100102657272_100000183687 [0,2,0,0,0,0|2,0,0]=4 7526 B13R1.11 CNC(=O)CC(C)c1ccccc1 527a_100102657272_100000183687 [0,2,0,0,0,0|2,0,0]=4 7527 B13R1.11 CNC(=O)CC(O)c1ccccc1 240690a_100102657272_100000690199 [0,2,0,0,0,0|2,0,0]=4 7528 B13R1.11 CNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183359 [0,2,0,0,0,0|2,0,0]=4 7529 B13R1.11 CNC(=O)CN(C)c1ccccc1 240690a_100102657272_100000745425 [0,2,0,0,0,0|2,0,0]=4 7530 B13R1.11 CNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183359 [0,2,0,0,0,0|2,0,0]=4 7531 B13R1.11 CNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183359 [0,2,0,0,0,0|2,0,0]=4 7532 B13R1.11 CNC(=O)CN(C)c1ccccc1 527a_100102657272_100000745425 [0,2,0,0,0,0|2,0,0]=4 7533 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [0,2,0,0,0,0|1,0,0]=3 7534 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747449 [0,2,0,0,0,0|1,0,0]=3 7535 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000757779_200000210301 [0,2,0,0,0,0|1,0,0]=3 7536 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747449 [0,2,0,0,0,0|1,0,0]=3 7537 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000757779_200000210301 [0,2,0,0,0,0|1,0,0]=3 7538 B13R1.11 COC(=O)CN(C)c1ccccc1 34a_100000210012_100000747449 [0,2,0,0,0,0|1,0,0]=3 7539 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 2230a_100000757779_200025704644 [0,2,0,0,0,0|1,0,0]=3 7540 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 269982a_100000757779_200025704644 [0,2,0,0,0,0|1,0,0]=3 7541 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 240690a_100000751104_100000210174 [0,2,0,0,0,0|2,0,0]=4 7542 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 527a_100000751104_100000210174 [0,2,0,0,0,0|2,0,0]=4 7543 B13R1.11 O=C(CF)CC(O)c1ccccc1 1458a_100000690199_100015361967 [0,2,0,0,0,0|2,0,0]=4 7544 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [0,2,0,0,0,0|1,0,0]=3 7545 B13R1.11 O=C(CO)CC(=O)c1ccccn1 1458a_100000210174_100000027445 [0,2,0,0,0,0|2,0,0]=4 7546 B13R1.11 O=C(CO)CC(=O)c1cccnc1 1458a_100000210174_100015188593 [0,2,0,0,0,0|2,0,0]=4 7547 B13R1.11 O=C(CO)CC(=O)c1ccncc1 1458a_100000210174_100000027454 [0,2,0,0,0,0|2,0,0]=4 7548 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [0,2,0,0,0,0|1,0,0]=3 7549 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [0,2,0,0,0,0|1,0,0]=3 7550 B13R1.15 C#CC(=O)CCc1cccc(c1)Br 1458a_100000211873_100011740638 [0,2,0,0,0,0|2,0,0]=4 7551 B13R1.15 C#CC(=O)CCc1cccc(c1)C 1458a_100000211873_100011713685 [0,2,0,0,0,0|2,0,0]=4 7552 B13R1.15 C#CC(=O)CCc1cccc(c1)Cl 1458a_100000211873_100011713710 [0,2,0,0,0,0|2,0,0]=4 7553 B13R1.15 C#CC(=O)CCc1cccc(c1)F 1458a_100000211873_100011217235 [0,2,0,0,0,0|2,0,0]=4 7554 B13R1.15 C=C(C#N)COc1cccc(c1)Br 34a_100000210342_100000694840 [0,2,0,0,0,0|2,0,0]=4 7555 B13R1.15 C=C(C#N)COc1cccc(c1)C 34a_100000210337_100000694840 [0,2,0,0,0,0|2,0,0]=4 7556 B13R1.15 C=C(C#N)COc1cccc(c1)Cl 34a_100000210295_100000694840 [0,2,0,0,0,0|2,0,0]=4 7557 B13R1.15 C=C(C#N)COc1cccc(c1)F 34a_100000210426_100000694840 [0,2,0,0,0,0|2,0,0]=4 7558 B13R1.15 C=C(C#N)COc1cccc(c1)I 34a_100000211634_100000694840 [0,2,0,0,0,0|2,0,0]=4 7559 B13R1.15 C=C(C#N)COc1cccc(c1)N 34a_100000210217_100000694840 [0,2,0,0,0,0|2,0,0]=4 7560 B13R1.15 C=CC(=O)CCc1cccc(c1)Br 1458a_100000185746_100011740638 [0,2,0,0,0,0|2,0,0]=4 7561 B13R1.15 C=CC(=O)CCc1cccc(c1)C 1458a_100000185746_100011713685 [0,2,0,0,0,0|2,0,0]=4 7562 B13R1.15 C=CC(=O)CCc1cccc(c1)Cl 1458a_100000185746_100011713710 [0,2,0,0,0,0|2,0,0]=4 7563 B13R1.15 C=CC(=O)CCc1cccc(c1)F 1458a_100000185746_100011217235 [0,2,0,0,0,0|2,0,0]=4 7564 B13R1.15 C=CC(O)COc1cccc(c1)Br 34a_100000210342_100000730141 [0,2,0,0,0,0|1,0,1]=4 7565 B13R1.15 C=CC(O)COc1cccc(c1)Br 7a_100000210342_100000730141 [0,2,0,0,0,0|1,0,1]=4 7566 B13R1.15 C=CC(O)COc1cccc(c1)C 34a_100000210337_100000730141 [0,2,0,0,0,0|1,0,1]=4 7567 B13R1.15 C=CC(O)COc1cccc(c1)C 7a_100000210337_100000730141 [0,2,0,0,0,0|1,0,1]=4 7568 B13R1.15 C=CC(O)COc1cccc(c1)Cl 34a_100000210295_100000730141 [0,2,0,0,0,0|1,0,1]=4 7569 B13R1.15 C=CC(O)COc1cccc(c1)Cl 7a_100000210295_100000730141 [0,2,0,0,0,0|1,0,1]=4 7570 B13R1.15 C=CC(O)COc1cccc(c1)F 34a_100000210426_100000730141 [0,2,0,0,0,0|1,0,1]=4 7571 B13R1.15 C=CC(O)COc1cccc(c1)F 7a_100000210426_100000730141 [0,2,0,0,0,0|1,0,1]=4 7572 B13R1.15 C=CC(O)COc1cccc(c1)I 34a_100000211634_100000730141 [0,2,0,0,0,0|1,0,1]=4 7573 B13R1.15 C=CC(O)COc1cccc(c1)I 7a_100000211634_100000730141 [0,2,0,0,0,0|1,0,1]=4 7574 B13R1.15 C=CC(O)COc1cccc(c1)N 34a_100000210217_100000730141 [0,2,0,0,0,0|1,0,1]=4 7575 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210202 [0,2,0,0,0,0|2,0,0]=4 7576 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000210414_100011740638 [0,2,0,0,0,0|2,0,0]=4 7577 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000210414_100011713685 [0,2,0,0,0,0|2,0,0]=4 7578 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210202 [0,2,0,0,0,0|2,0,0]=4 7579 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000210414_100011713710 [0,2,0,0,0,0|2,0,0]=4 7580 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210202 [0,2,0,0,0,0|2,0,0]=4 7581 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000210414_100011217235 [0,2,0,0,0,0|2,0,0]=4 7582 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210202 [0,2,0,0,0,0|2,0,0]=4 7583 B13R1.15 CCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210202 [0,2,0,0,0,0|2,0,0]=4 7584 B13R1.15 CCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210202 [0,2,0,0,0,0|2,0,0]=4 7585 B13R1.15 CCC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000747405 [0,2,0,0,0,0|2,0,0]=4 7586 B13R1.15 CCC(=O)COc1cccc(c1)Br 1458a_100000182359_100000210202 [0,2,0,0,0,0|1,0,0]=3 7587 B13R1.15 CCC(=O)COc1cccc(c1)Br 7a_100000210342_100000747405 [0,2,0,0,0,0|1,0,0]=3 7588 B13R1.15 CCC(=O)COc1cccc(c1)C 1458a_100000183606_100000210202 [0,2,0,0,0,0|1,0,0]=3 7589 B13R1.15 CCC(=O)COc1cccc(c1)C 7a_100000210337_100000747405 [0,2,0,0,0,0|1,0,0]=3 7590 B13R1.15 CCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100000210202 [0,2,0,0,0,0|1,0,0]=3 7591 B13R1.15 CCC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747405 [0,2,0,0,0,0|1,0,0]=3 7592 B13R1.15 CCC(=O)COc1cccc(c1)F 1458a_100000182781_100000210202 [0,2,0,0,0,0|1,0,0]=3 7593 B13R1.15 CCC(=O)COc1cccc(c1)F 7a_100000210426_100000747405 [0,2,0,0,0,0|1,0,0]=3 7594 B13R1.15 CCC(=O)COc1cccc(c1)I 7a_100000211634_100000747405 [0,2,0,0,0,0|1,0,0]=3 7595 B13R1.15 CCC(=O)COc1cncc(c1)Br 7a_100000754920_100000747405 [0,2,0,0,0,0|2,0,0]=4 7596 B13R1.15 CCC(=O)COc1cncc(c1)C 7a_100011830280_100000747405 [0,2,0,0,0,0|2,0,0]=4 7597 B13R1.15 CCC(=O)COc1cncc(c1)Cl 7a_100000032511_100000747405 [0,2,0,0,0,0|2,0,0]=4 7598 B13R1.15 CCC(=O)COc1cncc(c1)F 7a_100011830296_100000747405 [0,2,0,0,0,0|2,0,0]=4 7599 B13R1.15 CCC(=O)CSc1cccc(c1)Br 1458a_100000760868_100000210202 [0,2,0,0,0,0|1,1,0]=4 7600 B13R1.15 CCC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747405 [0,2,0,0,0,0|1,1,0]=4 7601 B13R1.15 CCC(=O)CSc1cccc(c1)Br 62a_100000747405_100000691529 [0,2,0,0,0,0|1,1,0]=4 7602 B13R1.15 CCC(=O)CSc1cccc(c1)C 62a_100000747405_100011215228 [0,2,0,0,0,0|1,1,0]=4 7603 B13R1.15 CCC(=O)CSc1cccc(c1)C 62a_100011215228_100000747405 [0,2,0,0,0,0|1,1,0]=4 7604 B13R1.15 CCC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747405 [0,2,0,0,0,0|1,1,0]=4 7605 B13R1.15 CCC(=O)CSc1cccc(c1)Cl 62a_100000747405_100000699651 [0,2,0,0,0,0|1,1,0]=4 7606 B13R1.15 CCC(=O)CSc1cccc(c1)F 62a_100000685547_100000747405 [0,2,0,0,0,0|1,1,0]=4 7607 B13R1.15 CCC(=O)CSc1cccc(c1)F 62a_100000747405_100000685547 [0,2,0,0,0,0|1,1,0]=4 7608 B13R1.15 CCC(=O)CSc1cccc(c1)N 62a_100000210019_100000747405 [0,2,0,0,0,0|1,1,0]=4 7609 B13R1.15 CCC(=O)CSc1cccc(c1)N 62a_100000747405_100000210019 [0,2,0,0,0,0|1,1,0]=4 7610 B13R1.15 CCC(=O)CSc1cccc(c1)O 62a_100000747405_100000211634 [0,2,0,0,0,0|1,1,0]=4 7611 B13R1.15 CCC(=O)CSc1cccc(c1)[S] 62a_100000747405_114929384022 [0,2,0,0,0,0|1,1,0]=4 7612 B13R1.15 CCC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747405 [0,2,0,0,0,0|1,1,0]=4 7613 B13R1.15 CCC(O)COc1cccc(c1)Br 34a_100000210342_100011218378 [0,2,0,0,0,0|1,0,1]=4 7614 B13R1.15 CCC(O)COc1cccc(c1)Br 7a_100000210342_100011218378 [0,2,0,0,0,0|1,0,1]=4 7615 B13R1.15 CCC(O)COc1cccc(c1)C 34a_100000210337_100011218378 [0,2,0,0,0,0|1,0,1]=4 7616 B13R1.15 CCC(O)COc1cccc(c1)C 7a_100000210337_100011218378 [0,2,0,0,0,0|1,0,1]=4 7617 B13R1.15 CCC(O)COc1cccc(c1)Cl 34a_100000210295_100011218378 [0,2,0,0,0,0|1,0,1]=4 7618 B13R1.15 CCC(O)COc1cccc(c1)Cl 7a_100000210295_100011218378 [0,2,0,0,0,0|1,0,1]=4 7619 B13R1.15 CCC(O)COc1cccc(c1)F 34a_100000210426_100011218378 [0,2,0,0,0,0|1,0,1]=4 7620 B13R1.15 CCC(O)COc1cccc(c1)F 7a_100000210426_100011218378 [0,2,0,0,0,0|1,0,1]=4 7621 B13R1.15 CCC(O)COc1cccc(c1)I 34a_100000211634_100011218378 [0,2,0,0,0,0|1,0,1]=4 7622 B13R1.15 CCC(O)COc1cccc(c1)I 7a_100000211634_100011218378 [0,2,0,0,0,0|1,0,1]=4 7623 B13R1.15 CCC(O)COc1cccc(c1)N 34a_100000210217_100011218378 [0,2,0,0,0,0|1,0,1]=4 7624 B13R1.15 CNC(=O)CCc1cccc(c1)Br 11a_106832991635_100000184314 [0,2,0,0,0,0|2,0,0]=4 7625 B13R1.15 CNC(=O)CCc1cccc(c1)Br 1626a_100102657272_100000184314 [0,2,0,0,0,0|2,0,0]=4 7626 B13R1.15 CNC(=O)CCc1cccc(c1)Br 240690a_100102657272_100000184314 [0,2,0,0,0,0|2,0,0]=4 7627 B13R1.15 CNC(=O)CCc1cccc(c1)Br 527a_100102657272_100000184314 [0,2,0,0,0,0|2,0,0]=4 7628 B13R1.15 CNC(=O)CCc1cccc(c1)C 11a_106832991635_100000234952 [0,2,0,0,0,0|2,0,0]=4 7629 B13R1.15 CNC(=O)CCc1cccc(c1)C 1626a_100102657272_100000234952 [0,2,0,0,0,0|2,0,0]=4 7630 B13R1.15 CNC(=O)CCc1cccc(c1)C 240690a_100102657272_100000234952 [0,2,0,0,0,0|2,0,0]=4 7631 B13R1.15 CNC(=O)CCc1cccc(c1)C 527a_100102657272_100000234952 [0,2,0,0,0,0|2,0,0]=4 7632 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 11a_106832991635_100000235675 [0,2,0,0,0,0|2,0,0]=4 7633 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 1626a_100102657272_100000235675 [0,2,0,0,0,0|2,0,0]=4 7634 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 240690a_100102657272_100000235675 [0,2,0,0,0,0|2,0,0]=4 7635 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 527a_100102657272_100000235675 [0,2,0,0,0,0|2,0,0]=4 7636 B13R1.15 CNC(=O)CCc1cccc(c1)F 11a_106832991635_100000235673 [0,2,0,0,0,0|2,0,0]=4 7637 B13R1.15 CNC(=O)CCc1cccc(c1)F 1626a_100102657272_100000235673 [0,2,0,0,0,0|2,0,0]=4 7638 B13R1.15 CNC(=O)CCc1cccc(c1)F 240690a_100102657272_100000235673 [0,2,0,0,0,0|2,0,0]=4 7639 B13R1.15 CNC(=O)CCc1cccc(c1)F 527a_100102657272_100000235673 [0,2,0,0,0,0|2,0,0]=4 7640 B13R1.15 CNC(=O)CCc1cccc(c1)I 11a_106832991635_100010007846 [0,2,0,0,0,0|2,0,0]=4 7641 B13R1.15 CNC(=O)CCc1cccc(c1)I 1626a_100102657272_100010007846 [0,2,0,0,0,0|2,0,0]=4 7642 B13R1.15 CNC(=O)CCc1cccc(c1)I 240690a_100102657272_100010007846 [0,2,0,0,0,0|2,0,0]=4 7643 B13R1.15 CNC(=O)CCc1cccc(c1)I 527a_100102657272_100010007846 [0,2,0,0,0,0|2,0,0]=4 7644 B13R1.15 CNC(=O)CCc1cccc(c1)O 240690a_100102657272_100011216126 [0,2,0,0,0,0|2,0,0]=4 7645 B13R1.15 CNC(=O)CCc1cccc(c1)O 527a_100102657272_100011216126 [0,2,0,0,0,0|2,0,0]=4 7646 B13R1.15 CNC(=O)CNc1cccc(c1)Br 34a_100000210019_100000183359 [0,2,0,0,0,0|2,0,0]=4 7647 B13R1.15 CNC(=O)CNc1cccc(c1)C 2230a_100000188690_100000183359 [0,2,0,0,0,0|2,0,0]=4 7648 B13R1.15 CNC(=O)CNc1cccc(c1)C 34a_100000188690_100000183359 [0,2,0,0,0,0|2,0,0]=4 7649 B13R1.15 CNC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000183359 [0,2,0,0,0,0|2,0,0]=4 7650 B13R1.15 CNC(=O)CNc1cccc(c1)F 34a_100000210047_100000183359 [0,2,0,0,0,0|2,0,0]=4 7651 B13R1.15 CNC(=O)CNc1cccc(c1)I 34a_100000211102_100000183359 [0,2,0,0,0,0|2,0,0]=4 7652 B13R1.15 CNC(=O)CNc1cccc(c1)O 34a_100000210217_100000183359 [0,2,0,0,0,0|2,0,0]=4 7653 B13R1.15 CNC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000183359 [0,2,0,0,0,0|2,0,0]=4 7654 B13R1.15 CNC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000183359 [0,2,0,0,0,0|2,0,0]=4 7655 B13R1.15 CNC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000183359 [0,2,0,0,0,0|2,0,0]=4 7656 B13R1.15 CNC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000183359 [0,2,0,0,0,0|2,0,0]=4 7657 B13R1.15 CNC(=O)COc1cccc(c1)Br 11a_106832991635_100000182359 [0,2,0,0,0,0|1,0,0]=3 7658 B13R1.15 CNC(=O)COc1cccc(c1)Br 1626a_100102657272_100000182359 [0,2,0,0,0,0|1,0,0]=3 7659 B13R1.15 CNC(=O)COc1cccc(c1)Br 240690a_100102657272_100000182359 [0,2,0,0,0,0|1,0,0]=3 7660 B13R1.15 CNC(=O)COc1cccc(c1)Br 34a_100000210342_100000183359 [0,2,0,0,0,0|1,0,0]=3 7661 B13R1.15 CNC(=O)COc1cccc(c1)Br 527a_100102657272_100000182359 [0,2,0,0,0,0|1,0,0]=3 7662 B13R1.15 CNC(=O)COc1cccc(c1)Br 7a_100000210342_100000183359 [0,2,0,0,0,0|1,0,0]=3 7663 B13R1.15 CNC(=O)COc1cccc(c1)C 11a_106832991635_100000183606 [0,2,0,0,0,0|1,0,0]=3 7664 B13R1.15 CNC(=O)COc1cccc(c1)C 1626a_100102657272_100000183606 [0,2,0,0,0,0|1,0,0]=3 7665 B13R1.15 CNC(=O)COc1cccc(c1)C 240690a_100102657272_100000183606 [0,2,0,0,0,0|1,0,0]=3 7666 B13R1.15 CNC(=O)COc1cccc(c1)C 34a_100000210337_100000183359 [0,2,0,0,0,0|1,0,0]=3 7667 B13R1.15 CNC(=O)COc1cccc(c1)C 527a_100102657272_100000183606 [0,2,0,0,0,0|1,0,0]=3 7668 B13R1.15 CNC(=O)COc1cccc(c1)C 7a_100000210337_100000183359 [0,2,0,0,0,0|1,0,0]=3 7669 B13R1.15 CNC(=O)COc1cccc(c1)Cl 11a_106832991635_100000184978 [0,2,0,0,0,0|1,0,0]=3 7670 B13R1.15 CNC(=O)COc1cccc(c1)Cl 1626a_100102657272_100000184978 [0,2,0,0,0,0|1,0,0]=3 7671 B13R1.15 CNC(=O)COc1cccc(c1)Cl 240690a_100102657272_100000184978 [0,2,0,0,0,0|1,0,0]=3 7672 B13R1.15 CNC(=O)COc1cccc(c1)Cl 34a_100000210295_100000183359 [0,2,0,0,0,0|1,0,0]=3 7673 B13R1.15 CNC(=O)COc1cccc(c1)Cl 527a_100102657272_100000184978 [0,2,0,0,0,0|1,0,0]=3 7674 B13R1.15 CNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000183359 [0,2,0,0,0,0|1,0,0]=3 7675 B13R1.15 CNC(=O)COc1cccc(c1)F 11a_106832991635_100000182781 [0,2,0,0,0,0|1,0,0]=3 7676 B13R1.15 CNC(=O)COc1cccc(c1)F 1626a_100102657272_100000182781 [0,2,0,0,0,0|1,0,0]=3 7677 B13R1.15 CNC(=O)COc1cccc(c1)F 240690a_100102657272_100000182781 [0,2,0,0,0,0|1,0,0]=3 7678 B13R1.15 CNC(=O)COc1cccc(c1)F 34a_100000210426_100000183359 [0,2,0,0,0,0|1,0,0]=3 7679 B13R1.15 CNC(=O)COc1cccc(c1)F 527a_100102657272_100000182781 [0,2,0,0,0,0|1,0,0]=3 7680 B13R1.15 CNC(=O)COc1cccc(c1)F 7a_100000210426_100000183359 [0,2,0,0,0,0|1,0,0]=3 7681 B13R1.15 CNC(=O)COc1cccc(c1)I 34a_100000211634_100000183359 [0,2,0,0,0,0|1,0,0]=3 7682 B13R1.15 CNC(=O)COc1cccc(c1)I 7a_100000211634_100000183359 [0,2,0,0,0,0|1,0,0]=3 7683 B13R1.15 CNC(=O)COc1cccc(c1)N 34a_100000210217_100000183359 [0,2,0,0,0,0|1,0,0]=3 7684 B13R1.15 CNC(=O)COc1cccc(c1)O 271570a_203496583355_200000150594 [0,2,0,0,0,0|1,0,0]=3 7685 B13R1.15 CNC(=O)COc1cccc(n1)F 34a_100011432558_100000183359 [0,2,0,0,0,0|2,0,0]=4 7686 B13R1.15 CNC(=O)COc1ccnc(c1)C 34a_100000688365_100000183359 [0,2,0,0,0,0|2,0,0]=4 7687 B13R1.15 CNC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000183359 [0,2,0,0,0,0|2,0,0]=4 7688 B13R1.15 CNC(=O)COc1ccnc(c1)F 34a_100000732698_100000183359 [0,2,0,0,0,0|2,0,0]=4 7689 B13R1.15 CNC(=O)COc1ccnc(c1)N 34a_100011834064_100000183359 [0,2,0,0,0,0|2,0,0]=4 7690 B13R1.15 CNC(=O)COc1cncc(c1)Br 34a_100000754920_100000183359 [0,2,0,0,0,0|2,0,0]=4 7691 B13R1.15 CNC(=O)COc1cncc(c1)Br 7a_100000754920_100000183359 [0,2,0,0,0,0|2,0,0]=4 7692 B13R1.15 CNC(=O)COc1cncc(c1)C 34a_100011830280_100000183359 [0,2,0,0,0,0|2,0,0]=4 7693 B13R1.15 CNC(=O)COc1cncc(c1)C 7a_100011830280_100000183359 [0,2,0,0,0,0|2,0,0]=4 7694 B13R1.15 CNC(=O)COc1cncc(c1)Cl 7a_100000032511_100000183359 [0,2,0,0,0,0|2,0,0]=4 7695 B13R1.15 CNC(=O)COc1cncc(c1)F 34a_100011830296_100000183359 [0,2,0,0,0,0|2,0,0]=4 7696 B13R1.15 CNC(=O)COc1cncc(c1)F 7a_100011830296_100000183359 [0,2,0,0,0,0|2,0,0]=4 7697 B13R1.15 CNC(=O)COc1cncc(c1)N 34a_100011997051_100000183359 [0,2,0,0,0,0|2,0,0]=4 7698 B13R1.15 CNC(=O)CSc1cccc(c1)Br 11a_106832991635_100000760868 [0,2,0,0,0,0|1,1,0]=4 7699 B13R1.15 CNC(=O)CSc1cccc(c1)Br 1626a_100102657272_100000760868 [0,2,0,0,0,0|1,1,0]=4 7700 B13R1.15 CNC(=O)CSc1cccc(c1)Br 240690a_100102657272_100000760868 [0,2,0,0,0,0|1,1,0]=4 7701 B13R1.15 CNC(=O)CSc1cccc(c1)Br 527a_100102657272_100000760868 [0,2,0,0,0,0|1,1,0]=4 7702 B13R1.15 CNC(=O)CSc1cccc(c1)Br 62a_100000183359_100000691529 [0,2,0,0,0,0|1,1,0]=4 7703 B13R1.15 CNC(=O)CSc1cccc(c1)Br 62a_100000691529_100000183359 [0,2,0,0,0,0|1,1,0]=4 7704 B13R1.15 CNC(=O)CSc1cccc(c1)C 62a_100000183359_100011215228 [0,2,0,0,0,0|1,1,0]=4 7705 B13R1.15 CNC(=O)CSc1cccc(c1)C 62a_100011215228_100000183359 [0,2,0,0,0,0|1,1,0]=4 7706 B13R1.15 CNC(=O)CSc1cccc(c1)Cl 62a_100000183359_100000699651 [0,2,0,0,0,0|1,1,0]=4 7707 B13R1.15 CNC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000183359 [0,2,0,0,0,0|1,1,0]=4 7708 B13R1.15 CNC(=O)CSc1cccc(c1)F 62a_100000183359_100000685547 [0,2,0,0,0,0|1,1,0]=4 7709 B13R1.15 CNC(=O)CSc1cccc(c1)F 62a_100000685547_100000183359 [0,2,0,0,0,0|1,1,0]=4 7710 B13R1.15 CNC(=O)CSc1cccc(c1)N 62a_100000183359_100000210019 [0,2,0,0,0,0|1,1,0]=4 7711 B13R1.15 CNC(=O)CSc1cccc(c1)N 62a_100000210019_100000183359 [0,2,0,0,0,0|1,1,0]=4 7712 B13R1.15 CNC(=O)CSc1cccc(c1)O 62a_100000183359_100000211634 [0,2,0,0,0,0|1,1,0]=4 7713 B13R1.15 CNC(=O)CSc1cccc(c1)[S] 62a_100000183359_114929384022 [0,2,0,0,0,0|1,1,0]=4 7714 B13R1.15 CNC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000183359 [0,2,0,0,0,0|1,1,0]=4 7715 B13R1.15 COC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_100000149372 [0,2,0,0,0,0|1,0,1]=4 7716 B13R1.15 COC(=O)CCc1cccc(c1)O 271570a_203496583355_100000151591 [0,2,0,0,0,0|1,0,0]=3 7717 B13R1.15 COC(=O)CNc1cccc(c1)Br 34a_100000210019_100000747449 [0,2,0,0,0,0|1,0,0]=3 7718 B13R1.15 COC(=O)CNc1cccc(c1)C 2230a_100000188690_100000747449 [0,2,0,0,0,0|1,0,0]=3 7719 B13R1.15 COC(=O)CNc1cccc(c1)C 34a_100000188690_100000747449 [0,2,0,0,0,0|1,0,0]=3 7720 B13R1.15 COC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000747449 [0,2,0,0,0,0|1,0,0]=3 7721 B13R1.15 COC(=O)CNc1cccc(c1)F 34a_100000210047_100000747449 [0,2,0,0,0,0|1,0,0]=3 7722 B13R1.15 COC(=O)CNc1cccc(c1)I 34a_100000211102_100000747449 [0,2,0,0,0,0|1,0,0]=3 7723 B13R1.15 COC(=O)CNc1cccc(c1)O 34a_100000210217_100000747449 [0,2,0,0,0,0|1,0,0]=3 7724 B13R1.15 COC(=O)COc1cc(cnn1)C 34a_100000766097_100000747449 [0,2,0,0,0,0|2,0,0]=4 7725 B13R1.15 COC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000747449 [0,2,0,0,0,0|1,0,0]=3 7726 B13R1.15 COC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000747449 [0,2,0,0,0,0|1,0,0]=3 7727 B13R1.15 COC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000747449 [0,2,0,0,0,0|1,0,0]=3 7728 B13R1.15 COC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000747449 [0,2,0,0,0,0|1,0,0]=3 7729 B13R1.15 COC(=O)COc1cccc(c1)Br 34a_100000210342_100000747449 [0,2,0,0,0,0|0,0,0]=2 7730 B13R1.15 COC(=O)COc1cccc(c1)Br 7a_100000210342_100000747449 [0,2,0,0,0,0|0,0,0]=2 7731 B13R1.15 COC(=O)COc1cccc(c1)C 34a_100000210337_100000747449 [0,2,0,0,0,0|0,0,0]=2 7732 B13R1.15 COC(=O)COc1cccc(c1)C 7a_100000210337_100000747449 [0,2,0,0,0,0|0,0,0]=2 7733 B13R1.15 COC(=O)COc1cccc(c1)Cl 34a_100000210295_100000747449 [0,2,0,0,0,0|0,0,0]=2 7734 B13R1.15 COC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747449 [0,2,0,0,0,0|0,0,0]=2 7735 B13R1.15 COC(=O)COc1cccc(c1)F 34a_100000210426_100000747449 [0,2,0,0,0,0|0,0,0]=2 7736 B13R1.15 COC(=O)COc1cccc(c1)F 7a_100000210426_100000747449 [0,2,0,0,0,0|0,0,0]=2 7737 B13R1.15 COC(=O)COc1cccc(c1)I 34a_100000211634_100000747449 [0,2,0,0,0,0|0,0,0]=2 7738 B13R1.15 COC(=O)COc1cccc(c1)I 7a_100000211634_100000747449 [0,2,0,0,0,0|0,0,0]=2 7739 B13R1.15 COC(=O)COc1cccc(c1)N 34a_100000210217_100000747449 [0,2,0,0,0,0|0,0,0]=2 7740 B13R1.15 COC(=O)COc1cccc(c1)O 271570a_203496583355_200000148702 [0,2,0,0,0,0|0,0,0]=2 7741 B13R1.15 COC(=O)COc1cccc(n1)F 34a_100011432558_100000747449 [0,2,0,0,0,0|1,0,0]=3 7742 B13R1.15 COC(=O)COc1ccnc(c1)C 34a_100000688365_100000747449 [0,2,0,0,0,0|1,0,0]=3 7743 B13R1.15 COC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000747449 [0,2,0,0,0,0|1,0,0]=3 7744 B13R1.15 COC(=O)COc1ccnc(c1)F 34a_100000732698_100000747449 [0,2,0,0,0,0|1,0,0]=3 7745 B13R1.15 COC(=O)COc1ccnc(c1)N 34a_100011834064_100000747449 [0,2,0,0,0,0|1,0,0]=3 7746 B13R1.15 COC(=O)COc1cncc(c1)Br 34a_100000754920_100000747449 [0,2,0,0,0,0|1,0,0]=3 7747 B13R1.15 COC(=O)COc1cncc(c1)Br 7a_100000754920_100000747449 [0,2,0,0,0,0|1,0,0]=3 7748 B13R1.15 COC(=O)COc1cncc(c1)C 34a_100011830280_100000747449 [0,2,0,0,0,0|1,0,0]=3 7749 B13R1.15 COC(=O)COc1cncc(c1)C 7a_100011830280_100000747449 [0,2,0,0,0,0|1,0,0]=3 7750 B13R1.15 COC(=O)COc1cncc(c1)Cl 7a_100000032511_100000747449 [0,2,0,0,0,0|1,0,0]=3 7751 B13R1.15 COC(=O)COc1cncc(c1)F 34a_100011830296_100000747449 [0,2,0,0,0,0|1,0,0]=3 7752 B13R1.15 COC(=O)COc1cncc(c1)F 7a_100011830296_100000747449 [0,2,0,0,0,0|1,0,0]=3 7753 B13R1.15 COC(=O)COc1cncc(c1)N 34a_100011997051_100000747449 [0,2,0,0,0,0|1,0,0]=3 7754 B13R1.15 COC(=O)COc1cnnc(c1)Cl 34a_200010734679_100000747449 [0,2,0,0,0,0|2,0,0]=4 7755 B13R1.15 COC(=O)COc1cnnc(c1)N 34a_200015193112_100000747449 [0,2,0,0,0,0|2,0,0]=4 7756 B13R1.15 COC(=O)CSc1cc(=O)cc[nH]1 62a_100009817434_100000747449 [0,2,0,0,0,0|1,1,0]=4 7757 B13R1.15 COC(=O)CSc1cc(ccn1)C 62a_100000747449_100000750283 [0,2,0,0,0,0|1,1,0]=4 7758 B13R1.15 COC(=O)CSc1cc(ccn1)C 62a_100000750283_100000747449 [0,2,0,0,0,0|1,1,0]=4 7759 B13R1.15 COC(=O)CSc1cc(ccn1)Cl 62a_100000747449_100010167805 [0,2,0,0,0,0|1,1,0]=4 7760 B13R1.15 COC(=O)CSc1cc(ccn1)Cl 62a_100010167805_100000747449 [0,2,0,0,0,0|1,1,0]=4 7761 B13R1.15 COC(=O)CSc1cc(ccn1)F 62a_100000747449_100000764206 [0,2,0,0,0,0|1,1,0]=4 7762 B13R1.15 COC(=O)CSc1cc(ccn1)F 62a_100000764206_100000747449 [0,2,0,0,0,0|1,1,0]=4 7763 B13R1.15 COC(=O)CSc1cc(ccn1)N 62a_100000747449_100009814236 [0,2,0,0,0,0|1,1,0]=4 7764 B13R1.15 COC(=O)CSc1cc(ccn1)N 62a_100009814236_100000747449 [0,2,0,0,0,0|1,1,0]=4 7765 B13R1.15 COC(=O)CSc1cc(ccn1)O 62a_100000747449_100000762945 [0,2,0,0,0,0|1,1,0]=4 7766 B13R1.15 COC(=O)CSc1cc[nH]c(=O)c1 62a_100000747449_100009816521 [0,2,0,0,0,0|1,1,0]=4 7767 B13R1.15 COC(=O)CSc1cc[nH]c(=O)c1 62a_100009816521_100000747449 [0,2,0,0,0,0|1,1,0]=4 7768 B13R1.15 COC(=O)CSc1ccc[n+](c1)C 62a_100000747449_100009996589 [0,2,0,0,0,0|1,1,0]=4 7769 B13R1.15 COC(=O)CSc1ccc[n+](c1)C 62a_100009996589_100000747449 [0,2,0,0,0,0|1,1,0]=4 7770 B13R1.15 COC(=O)CSc1ccc[n+](c1)[O-] 62a_100000747449_100009815978 [0,2,0,0,0,0|1,1,0]=4 7771 B13R1.15 COC(=O)CSc1cccc(=O)[nH]1 62a_100000747449_100000752884 [0,2,0,0,0,0|1,1,0]=4 7772 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747449 [0,2,0,0,0,0|0,1,0]=3 7773 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000747449_100000691529 [0,2,0,0,0,0|0,1,0]=3 7774 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100000747449_100011215228 [0,2,0,0,0,0|0,1,0]=3 7775 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100011215228_100000747449 [0,2,0,0,0,0|0,1,0]=3 7776 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747449 [0,2,0,0,0,0|0,1,0]=3 7777 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000747449_100000699651 [0,2,0,0,0,0|0,1,0]=3 7778 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000685547_100000747449 [0,2,0,0,0,0|0,1,0]=3 7779 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000747449_100000685547 [0,2,0,0,0,0|0,1,0]=3 7780 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000210019_100000747449 [0,2,0,0,0,0|0,1,0]=3 7781 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000747449_100000210019 [0,2,0,0,0,0|0,1,0]=3 7782 B13R1.15 COC(=O)CSc1cccc(c1)O 271570a_203496583355_100011756034 [0,2,0,0,0,0|0,1,0]=3 7783 B13R1.15 COC(=O)CSc1cccc(c1)O 62a_100000747449_100000211634 [0,2,0,0,0,0|0,1,0]=3 7784 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_100000747449_114929384022 [0,2,0,0,0,0|0,1,0]=3 7785 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747449 [0,2,0,0,0,0|0,1,0]=3 7786 B13R1.15 COC(=O)CSc1cccc(n1)Br 62a_100000684672_100000747449 [0,2,0,0,0,0|1,1,0]=4 7787 B13R1.15 COC(=O)CSc1cccc(n1)Br 62a_100000747449_100000684672 [0,2,0,0,0,0|1,1,0]=4 7788 B13R1.15 COC(=O)CSc1cccc(n1)C 62a_100000742759_100000747449 [0,2,0,0,0,0|1,1,0]=4 7789 B13R1.15 COC(=O)CSc1cccc(n1)C 62a_100000747449_100000742759 [0,2,0,0,0,0|1,1,0]=4 7790 B13R1.15 COC(=O)CSc1cccc(n1)Cl 62a_100000051397_100000747449 [0,2,0,0,0,0|1,1,0]=4 7791 B13R1.15 COC(=O)CSc1cccc(n1)Cl 62a_100000747449_100000051397 [0,2,0,0,0,0|1,1,0]=4 7792 B13R1.15 COC(=O)CSc1cccc(n1)F 62a_100000747449_100009815982 [0,2,0,0,0,0|1,1,0]=4 7793 B13R1.15 COC(=O)CSc1cccc(n1)F 62a_100009815982_100000747449 [0,2,0,0,0,0|1,1,0]=4 7794 B13R1.15 COC(=O)CSc1cccc(n1)N 62a_100000740741_100000747449 [0,2,0,0,0,0|1,1,0]=4 7795 B13R1.15 COC(=O)CSc1cccc(n1)N 62a_100000747449_100000740741 [0,2,0,0,0,0|1,1,0]=4 7796 B13R1.15 COC(=O)CSc1ccnc(c1)Br 62a_100000747449_100009814637 [0,2,0,0,0,0|1,1,0]=4 7797 B13R1.15 COC(=O)CSc1ccnc(c1)Br 62a_100009814637_100000747449 [0,2,0,0,0,0|1,1,0]=4 7798 B13R1.15 COC(=O)CSc1ccnc(c1)C 62a_100000747449_100000758586 [0,2,0,0,0,0|1,1,0]=4 7799 B13R1.15 COC(=O)CSc1ccnc(c1)C 62a_100000758586_100000747449 [0,2,0,0,0,0|1,1,0]=4 7800 B13R1.15 COC(=O)CSc1ccnc(c1)Cl 62a_100000035001_100000747449 [0,2,0,0,0,0|1,1,0]=4 7801 B13R1.15 COC(=O)CSc1ccnc(c1)Cl 62a_100000747449_100000035001 [0,2,0,0,0,0|1,1,0]=4 7802 B13R1.15 COC(=O)CSc1ccnc(c1)F 62a_100000747449_100009816116 [0,2,0,0,0,0|1,1,0]=4 7803 B13R1.15 COC(=O)CSc1ccnc(c1)F 62a_100009816116_100000747449 [0,2,0,0,0,0|1,1,0]=4 7804 B13R1.15 COC(=O)CSc1ccnc(c1)N 62a_100000049665_100000747449 [0,2,0,0,0,0|1,1,0]=4 7805 B13R1.15 COC(=O)CSc1ccnc(c1)N 62a_100000747449_100000049665 [0,2,0,0,0,0|1,1,0]=4 7806 B13R1.15 COC(=O)CSc1cncc(c1)Br 62a_100000728054_100000747449 [0,2,0,0,0,0|1,1,0]=4 7807 B13R1.15 COC(=O)CSc1cncc(c1)Br 62a_100000747449_100000728054 [0,2,0,0,0,0|1,1,0]=4 7808 B13R1.15 COC(=O)CSc1cncc(c1)C 62a_100000747449_100000760492 [0,2,0,0,0,0|1,1,0]=4 7809 B13R1.15 COC(=O)CSc1cncc(c1)C 62a_100000760492_100000747449 [0,2,0,0,0,0|1,1,0]=4 7810 B13R1.15 COC(=O)CSc1cncc(c1)Cl 62a_100000049639_100000747449 [0,2,0,0,0,0|1,1,0]=4 7811 B13R1.15 COC(=O)CSc1cncc(c1)Cl 62a_100000747449_100000049639 [0,2,0,0,0,0|1,1,0]=4 7812 B13R1.15 COC(=O)CSc1cncc(c1)F 62a_100000744099_100000747449 [0,2,0,0,0,0|1,1,0]=4 7813 B13R1.15 COC(=O)CSc1cncc(c1)F 62a_100000747449_100000744099 [0,2,0,0,0,0|1,1,0]=4 7814 B13R1.15 COC(=O)CSc1cncc(c1)N 62a_100000687067_100000747449 [0,2,0,0,0,0|1,1,0]=4 7815 B13R1.15 COC(=O)CSc1cncc(c1)N 62a_100000747449_100000687067 [0,2,0,0,0,0|1,1,0]=4 7816 B13R1.15 COC(=O)CSc1cncc(c1)O 62a_100000747449_100000754920 [0,2,0,0,0,0|1,1,0]=4 7817 B13R1.15 COC(=O)CSc1cncc(c1)O 62a_100000754920_100000747449 [0,2,0,0,0,0|1,1,0]=4 7818 B13R1.15 COC(C)COc1cccc(c1)C 34a_200011219432_200000210301 [0,2,0,0,0,0|1,0,1]=4 7819 B13R1.15 COC(C)COc1cccc(c1)C 7a_200011219432_200000210301 [0,2,0,0,0,0|1,0,1]=4 7820 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 34a_100000210342_100000059175 [0,2,0,0,0,0|1,0,1]=4 7821 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 7a_100000210342_100000059175 [0,2,0,0,0,0|1,0,1]=4 7822 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 34a_100000210295_100000059175 [0,2,0,0,0,0|1,0,1]=4 7823 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 7a_100000210295_100000059175 [0,2,0,0,0,0|1,0,1]=4 7824 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 34a_100000210426_100000059175 [0,2,0,0,0,0|1,0,1]=4 7825 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 7a_100000210426_100000059175 [0,2,0,0,0,0|1,0,1]=4 7826 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 34a_100000211634_100000059175 [0,2,0,0,0,0|1,0,1]=4 7827 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 7a_100000211634_100000059175 [0,2,0,0,0,0|1,0,1]=4 7828 B13R1.15 C[C@@H](CO)COc1cccc(c1)N 34a_100000210217_100000059175 [0,2,0,0,0,0|1,0,1]=4 7829 B13R1.15 Cc1cccc(c1)CCC(=O)CF 1458a_100000234952_100015361967 [0,2,0,0,0,0|2,0,0]=4 7830 B13R1.15 Cc1cccc(c1)CCC(=O)CO 1458a_100000210174_100011713685 [0,2,0,0,0,0|1,0,0]=3 7831 B13R1.15 Cc1cccc(c1)CNC(=O)CO 240690a_100000185548_100000210174 [0,2,0,0,0,0|2,0,0]=4 7832 B13R1.15 Cc1cccc(c1)CNC(=O)CO 527a_100000185548_100000210174 [0,2,0,0,0,0|2,0,0]=4 7833 B13R1.15 Cc1cccc(c1)NNC(=O)CO 22a_100000681630_100000210174 [0,2,0,0,0,0|2,0,0]=4 7834 B13R1.15 Cc1cccc(c1)OCC(=O)CF 1458a_100000183606_100015361967 [0,2,0,0,0,0|1,0,0]=3 7835 B13R1.15 Cc1cccc(c1)OCC(C)O[13CH3] 34a_200011219432_200025704644 [0,2,0,0,0,0|1,0,1]=4 7836 B13R1.15 Cc1cccc(c1)OCC(C)O[13CH3] 7a_200011219432_200025704644 [0,2,0,0,0,0|1,0,1]=4 7837 B13R1.15 Cc1cccc(c1)OCC(O)CO 34a_100000210337_100011219619 [0,2,0,0,0,0|0,0,2]=4 7838 B13R1.15 Cc1cccc(c1)OCC(O)CO 7a_100000210337_100011219619 [0,2,0,0,0,0|0,0,2]=4 7839 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 34a_100000210337_100000059175 [0,2,0,0,0,0|1,0,1]=4 7840 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 7a_100000210337_100000059175 [0,2,0,0,0,0|1,0,1]=4 7841 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CF 34a_100000210337_100015614560 [0,2,0,0,0,0|1,0,1]=4 7842 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CF 7a_100000210337_100015614560 [0,2,0,0,0,0|1,0,1]=4 7843 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CO 34a_100000210337_100009815848 [0,2,0,0,0,0|0,0,2]=4 7844 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CO 7a_100000210337_100009815848 [0,2,0,0,0,0|0,0,2]=4 7845 B13R1.15 NNC(=O)COc1cccc(c1)O 271570a_203496583355_100000184228 [0,2,0,0,0,0|1,0,0]=3 7846 B13R1.15 Nc1cccc(c1)OCC(O)CO 34a_100000210217_100011219619 [0,2,0,0,0,0|0,0,2]=4 7847 B13R1.15 Nc1cccc(c1)OC[C@@H](O)CF 34a_100000210217_100015614560 [0,2,0,0,0,0|1,0,1]=4 7848 B13R1.15 Nc1cccc(c1)OC[C@@H](O)CO 34a_100000210217_100009815848 [0,2,0,0,0,0|0,0,2]=4 7849 B13R1.15 O=C(CF)CCc1cccc(c1)Br 1458a_100000184314_100015361967 [0,2,0,0,0,0|2,0,0]=4 7850 B13R1.15 O=C(CF)CCc1cccc(c1)Cl 1458a_100000235675_100015361967 [0,2,0,0,0,0|2,0,0]=4 7851 B13R1.15 O=C(CF)CCc1cccc(c1)F 1458a_100000235673_100015361967 [0,2,0,0,0,0|2,0,0]=4 7852 B13R1.15 O=C(CF)CCc1cccc(c1)I 1458a_100010007846_100015361967 [0,2,0,0,0,0|2,0,0]=4 7853 B13R1.15 O=C(CF)CCc1cccc(c1)O 1458a_100011216126_100015361967 [0,2,0,0,0,0|2,0,0]=4 7854 B13R1.15 O=C(CF)COc1cccc(c1)Br 1458a_100000182359_100015361967 [0,2,0,0,0,0|1,0,0]=3 7855 B13R1.15 O=C(CF)COc1cccc(c1)Cl 1458a_100000184978_100015361967 [0,2,0,0,0,0|1,0,0]=3 7856 B13R1.15 O=C(CF)COc1cccc(c1)F 1458a_100000182781_100015361967 [0,2,0,0,0,0|1,0,0]=3 7857 B13R1.15 O=C(CF)CSc1cccc(c1)Br 1458a_100000760868_100015361967 [0,2,0,0,0,0|1,1,0]=4 7858 B13R1.15 O=C(CO)CCc1cccc(c1)Br 1458a_100000210174_100011740638 [0,2,0,0,0,0|1,0,0]=3 7859 B13R1.15 O=C(CO)CCc1cccc(c1)Cl 1458a_100000210174_100011713710 [0,2,0,0,0,0|1,0,0]=3 7860 B13R1.15 O=C(CO)CCc1cccc(c1)F 1458a_100000210174_100011217235 [0,2,0,0,0,0|1,0,0]=3 7861 B13R1.15 O=C(CO)NCc1cccc(c1)Br 240690a_100000174977_100000210174 [0,2,0,0,0,0|2,0,0]=4 7862 B13R1.15 O=C(CO)NCc1cccc(c1)Br 527a_100000174977_100000210174 [0,2,0,0,0,0|2,0,0]=4 7863 B13R1.15 O=C(CO)NCc1cccc(c1)Cl 240690a_100000174878_100000210174 [0,2,0,0,0,0|2,0,0]=4 7864 B13R1.15 O=C(CO)NCc1cccc(c1)Cl 527a_100000174878_100000210174 [0,2,0,0,0,0|2,0,0]=4 7865 B13R1.15 O=C(CO)NCc1cccc(c1)F 240690a_100000174948_100000210174 [0,2,0,0,0,0|2,0,0]=4 7866 B13R1.15 O=C(CO)NCc1cccc(c1)F 527a_100000174948_100000210174 [0,2,0,0,0,0|2,0,0]=4 7867 B13R1.15 O=C(CO)NCc1cccc(c1)I 240690a_100000106179_100000210174 [0,2,0,0,0,0|2,0,0]=4 7868 B13R1.15 O=C(CO)NCc1cccc(c1)I 527a_100000106179_100000210174 [0,2,0,0,0,0|2,0,0]=4 7869 B13R1.15 O=C(CO)NCc1cccc(c1)O 240690a_100000743036_100000210174 [0,2,0,0,0,0|2,0,0]=4 7870 B13R1.15 O=C(CO)NCc1cccc(c1)O 527a_100000743036_100000210174 [0,2,0,0,0,0|2,0,0]=4 7871 B13R1.15 O=C(CO)NNc1cccc(c1)Br 22a_100000217339_100000210174 [0,2,0,0,0,0|2,0,0]=4 7872 B13R1.15 O=C(CO)NNc1cccc(c1)Cl 22a_100000184277_100000210174 [0,2,0,0,0,0|2,0,0]=4 7873 B13R1.15 O=C(CO)NNc1cccc(c1)F 22a_100000745080_100000210174 [0,2,0,0,0,0|2,0,0]=4 7874 B13R1.15 O=C(CO)NNc1cccc(c1)I 22a_100020605690_100000210174 [0,2,0,0,0,0|2,0,0]=4 7875 B13R1.15 OCC(O)COc1cccc(c1)Br 34a_100000210342_100011219619 [0,2,0,0,0,0|0,0,2]=4 7876 B13R1.15 OCC(O)COc1cccc(c1)Br 7a_100000210342_100011219619 [0,2,0,0,0,0|0,0,2]=4 7877 B13R1.15 OCC(O)COc1cccc(c1)Cl 34a_100000210295_100011219619 [0,2,0,0,0,0|0,0,2]=4 7878 B13R1.15 OCC(O)COc1cccc(c1)Cl 7a_100000210295_100011219619 [0,2,0,0,0,0|0,0,2]=4 7879 B13R1.15 OCC(O)COc1cccc(c1)F 34a_100000210426_100011219619 [0,2,0,0,0,0|0,0,2]=4 7880 B13R1.15 OCC(O)COc1cccc(c1)F 7a_100000210426_100011219619 [0,2,0,0,0,0|0,0,2]=4 7881 B13R1.15 OCC(O)COc1cccc(c1)I 34a_100000211634_100011219619 [0,2,0,0,0,0|0,0,2]=4 7882 B13R1.15 OCC(O)COc1cccc(c1)I 7a_100000211634_100011219619 [0,2,0,0,0,0|0,0,2]=4 7883 B13R1.15 OC[C@H](O)COc1cccc(c1)Br 34a_100000210342_100009815848 [0,2,0,0,0,0|0,0,2]=4 7884 B13R1.15 OC[C@H](O)COc1cccc(c1)Br 7a_100000210342_100009815848 [0,2,0,0,0,0|0,0,2]=4 7885 B13R1.15 OC[C@H](O)COc1cccc(c1)Cl 34a_100000210295_100009815848 [0,2,0,0,0,0|0,0,2]=4 7886 B13R1.15 OC[C@H](O)COc1cccc(c1)Cl 7a_100000210295_100009815848 [0,2,0,0,0,0|0,0,2]=4 7887 B13R1.15 OC[C@H](O)COc1cccc(c1)F 34a_100000210426_100009815848 [0,2,0,0,0,0|0,0,2]=4 7888 B13R1.15 OC[C@H](O)COc1cccc(c1)F 7a_100000210426_100009815848 [0,2,0,0,0,0|0,0,2]=4 7889 B13R1.15 OC[C@H](O)COc1cccc(c1)I 34a_100000211634_100009815848 [0,2,0,0,0,0|0,0,2]=4 7890 B13R1.15 OC[C@H](O)COc1cccc(c1)I 7a_100000211634_100009815848 [0,2,0,0,0,0|0,0,2]=4 7891 B13R1.15 O[C@@H](CF)COc1cccc(c1)Br 34a_100000210342_100015614560 [0,2,0,0,0,0|1,0,1]=4 7892 B13R1.15 O[C@@H](CF)COc1cccc(c1)Br 7a_100000210342_100015614560 [0,2,0,0,0,0|1,0,1]=4 7893 B13R1.15 O[C@@H](CF)COc1cccc(c1)Cl 34a_100000210295_100015614560 [0,2,0,0,0,0|1,0,1]=4 7894 B13R1.15 O[C@@H](CF)COc1cccc(c1)Cl 7a_100000210295_100015614560 [0,2,0,0,0,0|1,0,1]=4 7895 B13R1.15 O[C@@H](CF)COc1cccc(c1)F 34a_100000210426_100015614560 [0,2,0,0,0,0|1,0,1]=4 7896 B13R1.15 O[C@@H](CF)COc1cccc(c1)F 7a_100000210426_100015614560 [0,2,0,0,0,0|1,0,1]=4 7897 B13R1.15 O[C@@H](CF)COc1cccc(c1)I 34a_100000211634_100015614560 [0,2,0,0,0,0|1,0,1]=4 7898 B13R1.15 O[C@@H](CF)COc1cccc(c1)I 7a_100000211634_100015614560 [0,2,0,0,0,0|1,0,1]=4 7899 B13R1.42 C#CCC(=O)CCc1ccccc1 1458a_100000185753_100000184674 [0,2,0,0,0,0|2,0,0]=4 7900 B13R1.42 C#CCC(=O)CCc1ccccc1 1458a_100011220946_100000765856 [0,2,0,0,0,0|2,0,0]=4 7901 B13R1.42 C#CCC(=O)COc1ccccc1 1458a_100000186222_100000184674 [0,2,0,0,0,0|1,0,0]=3 7902 B13R1.42 C#CCC(=O)COc1ccccn1 1458a_100102699861_100000184674 [0,2,0,0,0,0|2,0,0]=4 7903 B13R1.42 C#CCC(=O)COc1cccnc1 1458a_100015207166_100000184674 [0,2,0,0,0,0|2,0,0]=4 7904 B13R1.42 C#CCC(=O)CSc1ccccc1 1458a_100000211596_100000184674 [0,2,0,0,0,0|1,1,0]=4 7905 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000185753_100000210623 [0,2,0,0,0,0|2,0,0]=4 7906 B13R1.42 C=CCC(=O)CCc1ccccc1 1458a_100000210193_100000765856 [0,2,0,0,0,0|2,0,0]=4 7907 B13R1.42 C=CCC(=O)COc1ccccc1 1458a_100000186222_100000210623 [0,2,0,0,0,0|1,0,0]=3 7908 B13R1.42 C=CCC(=O)COc1ccccn1 1458a_100102699861_100000210623 [0,2,0,0,0,0|2,0,0]=4 7909 B13R1.42 C=CCC(=O)COc1cccnc1 1458a_100015207166_100000210623 [0,2,0,0,0,0|2,0,0]=4 7910 B13R1.42 C=CCC(=O)CSc1ccccc1 1458a_100000211596_100000210623 [0,2,0,0,0,0|1,1,0]=4 7911 B13R1.42 C=COC(=O)CNc1ccccc1 34a_100000106764_100000036128 [0,2,0,0,0,0|1,0,0]=3 7912 B13R1.42 C=COC(=O)COc1ccccc1 34a_100000210340_100000036128 [0,2,0,0,0,0|0,0,0]=2 7913 B13R1.42 C=COC(=O)COc1cccnc1 34a_100000210849_100000036128 [0,2,0,0,0,0|1,0,0]=3 7914 B13R1.42 C=COC(=O)COc1ccncc1 34a_100000212176_100000036128 [0,2,0,0,0,0|1,0,0]=3 7915 B13R1.42 C=COC(=O)COc1ccnnc1 34a_100015204005_100000036128 [0,2,0,0,0,0|2,0,0]=4 7916 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000036128_100000041952 [0,2,0,0,0,0|0,1,0]=3 7917 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000719477_100000036128 [0,2,0,0,0,0|0,1,0]=3 7918 B13R1.42 C=COC(=O)CSc1ccccn1 62a_100000036128_100011216584 [0,2,0,0,0,0|1,1,0]=4 7919 B13R1.42 C=COC(=O)CSc1ccccn1 62a_100011216584_100000036128 [0,2,0,0,0,0|1,1,0]=4 7920 B13R1.42 C=COC(=O)CSc1cccnc1 62a_100000036128_100000210063 [0,2,0,0,0,0|1,1,0]=4 7921 B13R1.42 C=COC(=O)CSc1cccnc1 62a_100000210063_100000036128 [0,2,0,0,0,0|1,1,0]=4 7922 B13R1.42 C=COC(=O)CSc1ccncc1 62a_100000036128_100000728582 [0,2,0,0,0,0|1,1,0]=4 7923 B13R1.42 C=COC(=O)CSc1ccncc1 62a_100000728582_100000036128 [0,2,0,0,0,0|1,1,0]=4 7924 B13R1.42 CC#CC(=O)CCc1ccccc1 1458a_100000763181_100000765856 [0,2,0,0,0,0|2,0,0]=4 7925 B13R1.42 CC(COc1ccccc1)OCF 34a_100000210911_100015361967 [0,2,0,0,0,0|1,0,1]=4 7926 B13R1.42 CC(COc1ccccc1)OCF 7a_100000210911_100015361967 [0,2,0,0,0,0|1,0,1]=4 7927 B13R1.42 CC=CC(=O)CCc1ccccc1 1458a_100000210699_100000765856 [0,2,0,0,0,0|2,0,0]=4 7928 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [0,2,0,0,0,0|2,0,0]=4 7929 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [0,2,0,0,0,0|2,0,0]=4 7930 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [0,2,0,0,0,0|1,0,0]=3 7931 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [0,2,0,0,0,0|1,0,0]=3 7932 B13R1.42 CCCC(=O)COc1ccccn1 1458a_100102699861_100000210303 [0,2,0,0,0,0|2,0,0]=4 7933 B13R1.42 CCCC(=O)COc1cccnc1 1458a_100015207166_100000210303 [0,2,0,0,0,0|2,0,0]=4 7934 B13R1.42 CCCC(=O)COc1cccnc1 7a_100000210849_100000747444 [0,2,0,0,0,0|2,0,0]=4 7935 B13R1.42 CCCC(=O)CSc1ccccc1 1458a_100000211596_100000210303 [0,2,0,0,0,0|1,1,0]=4 7936 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000719477_100000747444 [0,2,0,0,0,0|1,1,0]=4 7937 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000747444_100000041952 [0,2,0,0,0,0|1,1,0]=4 7938 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [0,2,0,0,0,0|2,0,0]=4 7939 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [0,2,0,0,0,0|2,0,0]=4 7940 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [0,2,0,0,0,0|2,0,0]=4 7941 B13R1.42 CCNC(=O)CNc1ccccc1 34a_100000106764_100000183381 [0,2,0,0,0,0|2,0,0]=4 7942 B13R1.42 CCNC(=O)COc1ccccc1 11a_100015525214_100000186222 [0,2,0,0,0,0|1,0,0]=3 7943 B13R1.42 CCNC(=O)COc1ccccc1 240690a_100015525214_100000186222 [0,2,0,0,0,0|1,0,0]=3 7944 B13R1.42 CCNC(=O)COc1ccccc1 34a_100000210340_100000183381 [0,2,0,0,0,0|1,0,0]=3 7945 B13R1.42 CCNC(=O)COc1ccccc1 527a_100015525214_100000186222 [0,2,0,0,0,0|1,0,0]=3 7946 B13R1.42 CCNC(=O)COc1ccccc1 7a_100000210340_100000183381 [0,2,0,0,0,0|1,0,0]=3 7947 B13R1.42 CCNC(=O)COc1ccccn1 240690a_100015525214_100102699861 [0,2,0,0,0,0|2,0,0]=4 7948 B13R1.42 CCNC(=O)COc1ccccn1 527a_100015525214_100102699861 [0,2,0,0,0,0|2,0,0]=4 7949 B13R1.42 CCNC(=O)COc1cccnc1 11a_100015525214_100015207166 [0,2,0,0,0,0|2,0,0]=4 7950 B13R1.42 CCNC(=O)COc1cccnc1 240690a_100015525214_100015207166 [0,2,0,0,0,0|2,0,0]=4 7951 B13R1.42 CCNC(=O)COc1cccnc1 34a_100000210849_100000183381 [0,2,0,0,0,0|2,0,0]=4 7952 B13R1.42 CCNC(=O)COc1cccnc1 527a_100015525214_100015207166 [0,2,0,0,0,0|2,0,0]=4 7953 B13R1.42 CCNC(=O)COc1cccnc1 7a_100000210849_100000183381 [0,2,0,0,0,0|2,0,0]=4 7954 B13R1.42 CCNC(=O)COc1ccncc1 34a_100000212176_100000183381 [0,2,0,0,0,0|2,0,0]=4 7955 B13R1.42 CCNC(=O)CSc1ccccc1 11a_100015525214_100000211596 [0,2,0,0,0,0|1,1,0]=4 7956 B13R1.42 CCNC(=O)CSc1ccccc1 240690a_100015525214_100000211596 [0,2,0,0,0,0|1,1,0]=4 7957 B13R1.42 CCNC(=O)CSc1ccccc1 527a_100015525214_100000211596 [0,2,0,0,0,0|1,1,0]=4 7958 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000183381_100000041952 [0,2,0,0,0,0|1,1,0]=4 7959 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000719477_100000183381 [0,2,0,0,0,0|1,1,0]=4 7960 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [0,2,0,0,0,0|1,0,1]=4 7961 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [0,2,0,0,0,0|1,0,0]=3 7962 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [0,2,0,0,0,0|0,0,0]=2 7963 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [0,2,0,0,0,0|0,0,0]=2 7964 B13R1.42 CCOC(=O)COc1cccnc1 34a_100000210849_100000188475 [0,2,0,0,0,0|1,0,0]=3 7965 B13R1.42 CCOC(=O)COc1cccnc1 7a_100000210849_100000188475 [0,2,0,0,0,0|1,0,0]=3 7966 B13R1.42 CCOC(=O)COc1ccncc1 34a_100000212176_100000188475 [0,2,0,0,0,0|1,0,0]=3 7967 B13R1.42 CCOC(=O)COc1ccnnc1 34a_100015204005_100000188475 [0,2,0,0,0,0|2,0,0]=4 7968 B13R1.42 CCOC(=O)COc1cncnc1 7a_100000754086_100000188475 [0,2,0,0,0,0|2,0,0]=4 7969 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [0,2,0,0,0,0|0,1,0]=3 7970 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [0,2,0,0,0,0|0,1,0]=3 7971 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100000188475_100011216584 [0,2,0,0,0,0|1,1,0]=4 7972 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100011216584_100000188475 [0,2,0,0,0,0|1,1,0]=4 7973 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000188475_100000210063 [0,2,0,0,0,0|1,1,0]=4 7974 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000210063_100000188475 [0,2,0,0,0,0|1,1,0]=4 7975 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000188475_100000728582 [0,2,0,0,0,0|1,1,0]=4 7976 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000728582_100000188475 [0,2,0,0,0,0|1,1,0]=4 7977 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [0,2,0,0,0,0|1,0,1]=4 7978 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [0,2,0,0,0,0|1,0,1]=4 7979 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [0,2,0,0,0,0|2,0,0]=4 7980 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [0,2,0,0,0,0|2,0,0]=4 7981 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [0,2,0,0,0,0|2,0,0]=4 7982 B13R1.42 CNCC(O)COc1ccccc1 2230a_100000738913_200000210301 [0,2,0,0,0,0|1,0,1]=4 7983 B13R1.42 CNCC(O)COc1ccccc1 34a_100000738913_200000210301 [0,2,0,0,0,0|1,0,1]=4 7984 B13R1.42 CNNC(=O)CCc1ccccc1 22a_100016993582_100000185753 [0,2,0,0,0,0|2,0,0]=4 7985 B13R1.42 CNNC(=O)COc1ccccc1 22a_100016993582_100000186222 [0,2,0,0,0,0|1,0,0]=3 7986 B13R1.42 CNNC(=O)COc1ccccn1 22a_100016993582_100102699861 [0,2,0,0,0,0|2,0,0]=4 7987 B13R1.42 CNNC(=O)COc1cccnc1 22a_100016993582_100015207166 [0,2,0,0,0,0|2,0,0]=4 7988 B13R1.42 CNNC(=O)CSc1ccccc1 22a_100016993582_100000211596 [0,2,0,0,0,0|1,1,0]=4 7989 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [0,2,0,0,0,0|1,0,0]=3 7990 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [0,2,0,0,0,0|1,0,0]=3 7991 B13R1.42 COCC(=O)CCc1ccccn1 1458a_100000210968_100015183660 [0,2,0,0,0,0|2,0,0]=4 7992 B13R1.42 COCC(=O)CCc1cccnc1 1458a_100000210968_200011713674 [0,2,0,0,0,0|2,0,0]=4 7993 B13R1.42 COCC(=O)CCc1ccncc1 1458a_100000210968_100000723409 [0,2,0,0,0,0|2,0,0]=4 7994 B13R1.42 COCC(=O)NCc1ccccc1 11a_100015324214_100000210968 [0,2,0,0,0,0|2,0,0]=4 7995 B13R1.42 COCC(=O)NCc1ccccc1 1626a_100015324214_100000210968 [0,2,0,0,0,0|2,0,0]=4 7996 B13R1.42 COCC(=O)NCc1ccccc1 240690a_100015324214_100000210968 [0,2,0,0,0,0|2,0,0]=4 7997 B13R1.42 COCC(=O)NCc1ccccc1 34a_100138415774_100000183539 [0,2,0,0,0,0|2,0,0]=4 7998 B13R1.42 COCC(=O)NCc1ccccc1 527a_100015324214_100000210968 [0,2,0,0,0,0|2,0,0]=4 7999 B13R1.42 COCC(=O)NNc1ccccc1 22a_100015195140_100000210968 [0,2,0,0,0,0|2,0,0]=4 8000 B13R1.42 COCC(=O)OCc1ccccc1 34a_100138415774_100000753625 [0,2,0,0,0,0|2,0,0]=4 8001 B13R1.42 COCC(O)COc1ccccc1 34a_100000210340_100011215053 [0,2,0,0,0,0|0,0,2]=4 8002 B13R1.42 COCC(O)COc1ccccc1 7a_100000210340_100011215053 [0,2,0,0,0,0|0,0,2]=4 8003 B13R1.42 CSCC(=O)CCc1ccccc1 1458a_100000184570_100000765856 [0,2,0,0,0,0|1,1,0]=4 8004 B13R1.42 CSCC(=O)CCc1ccccc1 62a_100012361361_200000210301 [0,2,0,0,0,0|1,1,0]=4 8005 B13R1.42 CSCC(=O)CCc1ccccc1 62a_200000210301_100012361361 [0,2,0,0,0,0|1,1,0]=4 8006 B13R1.42 N#CCC(=O)CCc1ccccc1 1458a_100000185753_100011214920 [0,2,0,0,0,0|2,0,0]=4 8007 B13R1.42 N#CCC(=O)CCc1ccccc1 1458a_100051588842_100000765856 [0,2,0,0,0,0|2,0,0]=4 8008 B13R1.42 N#CCC(=O)COc1ccccc1 1458a_100000186222_100011214920 [0,2,0,0,0,0|1,0,0]=3 8009 B13R1.42 N#CCC(=O)COc1ccccn1 1458a_100102699861_100011214920 [0,2,0,0,0,0|2,0,0]=4 8010 B13R1.42 N#CCC(=O)COc1cccnc1 1458a_100015207166_100011214920 [0,2,0,0,0,0|2,0,0]=4 8011 B13R1.42 N#CCC(=O)CSc1ccccc1 1458a_100000211596_100011214920 [0,2,0,0,0,0|1,1,0]=4 8012 B13R1.42 N#CC[C@H](O)COc1ccccc1 7a_100000210340_100000001066 [0,2,0,0,0,0|1,0,1]=4 8013 B13R1.42 O=C(C#Cc1ccccc1)CCO 1458a_100000736102_100000211926 [0,2,0,0,0,0|1,0,1]=4 8014 B13R1.42 O=C(C=CBr)CCc1ccccc1 1458a_100016273825_100000765856 [0,2,0,0,0,0|2,0,0]=4 8015 B13R1.42 O=C(C=CCl)CCc1ccccc1 1458a_200016279998_100000765856 [0,2,0,0,0,0|2,0,0]=4 8016 B13R1.42 O=C(C=CI)CCc1ccccc1 1458a_100016256311_100000765856 [0,2,0,0,0,0|2,0,0]=4 8017 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [0,2,0,0,0,0|1,0,1]=4 8018 B13R1.42 O=C(CCF)CCc1ccccc1 1458a_100000185753_100011217306 [0,2,0,0,0,0|2,0,0]=4 8019 B13R1.42 O=C(CCF)COc1ccccc1 1458a_100000186222_100011217306 [0,2,0,0,0,0|1,0,0]=3 8020 B13R1.42 O=C(CCF)COc1ccccn1 1458a_100102699861_100011217306 [0,2,0,0,0,0|2,0,0]=4 8021 B13R1.42 O=C(CCF)COc1cccnc1 1458a_100015207166_100011217306 [0,2,0,0,0,0|2,0,0]=4 8022 B13R1.42 O=C(CCF)CSc1ccccc1 1458a_100000211596_100011217306 [0,2,0,0,0,0|1,1,0]=4 8023 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [0,2,0,0,0,0|1,0,0]=3 8024 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [0,2,0,0,0,0|1,0,0]=3 8025 B13R1.42 O=C(CCO)CCc1ccccn1 1458a_100011216618_100015183660 [0,2,0,0,0,0|2,0,0]=4 8026 B13R1.42 O=C(CCO)CCc1ccccn1 1458a_100015195070_100000211926 [0,2,0,0,0,0|2,0,0]=4 8027 B13R1.42 O=C(CCO)CCc1cccnc1 1458a_100000198484_100000211926 [0,2,0,0,0,0|2,0,0]=4 8028 B13R1.42 O=C(CCO)CCc1cccnc1 1458a_100011216618_200011713674 [0,2,0,0,0,0|2,0,0]=4 8029 B13R1.42 O=C(CCO)CCc1ccncc1 1458a_100011216618_100000723409 [0,2,0,0,0,0|2,0,0]=4 8030 B13R1.42 O=C(CCO)CCc1ccncc1 1458a_100011225043_100000211926 [0,2,0,0,0,0|2,0,0]=4 8031 B13R1.42 O=C(CCO)COc1ccccc1 1458a_100000186222_100000211926 [0,2,0,0,0,0|0,0,0]=2 8032 B13R1.42 O=C(CCO)COc1ccccn1 1458a_100102699861_100000211926 [0,2,0,0,0,0|1,0,0]=3 8033 B13R1.42 O=C(CCO)COc1cccnc1 1458a_100015207166_100000211926 [0,2,0,0,0,0|1,0,0]=3 8034 B13R1.42 O=C(CCO)CSc1ccccc1 1458a_100000211596_100000211926 [0,2,0,0,0,0|0,1,0]=3 8035 B13R1.42 O=C(CCO)CSc1ccccn1 1458a_100000156281_100000211926 [0,2,0,0,0,0|1,1,0]=4 8036 B13R1.42 O=C(CCO)CSc1ccncc1 1458a_100000211328_100000211926 [0,2,0,0,0,0|1,1,0]=4 8037 B13R1.42 O=C(CCO)NCc1ccccc1 240690a_100015324214_100011216618 [0,2,0,0,0,0|2,0,0]=4 8038 B13R1.42 O=C(CCO)NNc1ccccc1 22a_100015195140_100011216618 [0,2,0,0,0,0|2,0,0]=4 8039 B13R1.42 O=C(CNc1ccccc1)NCO 34a_100000106764_100000185155 [0,2,0,0,0,0|1,0,0]=3 8040 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [0,2,0,0,0,0|0,0,0]=2 8041 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [0,2,0,0,0,0|0,0,0]=2 8042 B13R1.42 O=C(COc1cccnc1)NCO 34a_100000210849_100000185155 [0,2,0,0,0,0|1,0,0]=3 8043 B13R1.42 O=C(COc1cccnc1)NCO 7a_100000210849_100000185155 [0,2,0,0,0,0|1,0,0]=3 8044 B13R1.42 O=C(COc1ccncc1)NCO 34a_100000212176_100000185155 [0,2,0,0,0,0|1,0,0]=3 8045 B13R1.42 O=C(COc1ccnnc1)NCO 34a_100015204005_100000185155 [0,2,0,0,0,0|2,0,0]=4 8046 B13R1.42 O=C(COc1cncnc1)NCO 7a_100000754086_100000185155 [0,2,0,0,0,0|2,0,0]=4 8047 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000185155_100000041952 [0,2,0,0,0,0|0,1,0]=3 8048 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000719477_100000185155 [0,2,0,0,0,0|0,1,0]=3 8049 B13R1.42 O=C(CSc1ccccn1)NCO 62a_100000185155_100011216584 [0,2,0,0,0,0|1,1,0]=4 8050 B13R1.42 O=C(CSc1ccccn1)NCO 62a_100011216584_100000185155 [0,2,0,0,0,0|1,1,0]=4 8051 B13R1.42 O=C(CSc1cccnc1)NCO 62a_100000185155_100000210063 [0,2,0,0,0,0|1,1,0]=4 8052 B13R1.42 O=C(CSc1cccnc1)NCO 62a_100000210063_100000185155 [0,2,0,0,0,0|1,1,0]=4 8053 B13R1.42 O=C(CSc1ccncc1)NCO 62a_100000185155_100000728582 [0,2,0,0,0,0|1,1,0]=4 8054 B13R1.42 O=C(CSc1ccncc1)NCO 62a_100000728582_100000185155 [0,2,0,0,0,0|1,1,0]=4 8055 B13R1.42 [13CH3]NCC(O)COc1ccccc1 2230a_100000738913_200025704644 [0,2,0,0,0,0|1,0,1]=4 8056 B13R1.42 [13CH3]NCC(O)COc1ccccc1 34a_100000738913_200025704644 [0,2,0,0,0,0|1,0,1]=4 8057 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_100012361361_200025704644 [0,2,0,0,0,0|1,1,0]=4 8058 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_200025704644_100012361361 [0,2,0,0,0,0|1,1,0]=4 8059 B13R1.135 C#CC(=O)C(C)Cc1ccccc1 1458a_100000211873_200011218536 [0,2,0,0,0,0|2,0,0]=4 8060 B13R1.135 C=CC(=O)C(C)Cc1ccccc1 1458a_100000185746_200011218536 [0,2,0,0,0,0|2,0,0]=4 8061 B13R1.135 CC(Cc1ccccc1)C(=O)CF 1458a_100000754839_100015361967 [0,2,0,0,0,0|2,0,0]=4 8062 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [0,2,0,0,0,0|1,0,0]=3 8063 B13R1.135 CC(Oc1ccccc1)C(=O)CF 1458a_100000188414_100015361967 [0,2,0,0,0,0|1,0,0]=3 8064 B13R1.135 CC(Sc1ccccc1)C(=O)CF 1458a_100000199063_100015361967 [0,2,0,0,0,0|1,1,0]=4 8065 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [0,2,0,0,0,0|2,0,0]=4 8066 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [0,2,0,0,0,0|2,0,0]=4 8067 B13R1.135 CCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210202 [0,2,0,0,0,0|1,0,0]=3 8068 B13R1.135 CCC(=O)C(C)Oc1ccccc1 7a_100000210340_100000742827 [0,2,0,0,0,0|1,0,0]=3 8069 B13R1.135 CCC(=O)C(C)Oc1cccnc1 7a_100000210849_100000742827 [0,2,0,0,0,0|2,0,0]=4 8070 B13R1.135 CCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210202 [0,2,0,0,0,0|1,1,0]=4 8071 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000719477_100000742827 [0,2,0,0,0,0|1,1,0]=4 8072 B13R1.135 CCC(=O)C(C)Sc1ccccc1 62a_100000742827_100000041952 [0,2,0,0,0,0|1,1,0]=4 8073 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [0,2,0,0,0,0|2,0,0]=4 8074 B13R1.135 CN(Cc1ccccc1)C(=O)CO 240690a_100000186898_100000210174 [0,2,0,0,0,0|2,0,0]=4 8075 B13R1.135 CN(Cc1ccccc1)C(=O)CO 527a_100000186898_100000210174 [0,2,0,0,0,0|2,0,0]=4 8076 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [0,2,0,0,0,0|2,0,0]=4 8077 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [0,2,0,0,0,0|2,0,0]=4 8078 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [0,2,0,0,0,0|2,0,0]=4 8079 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [0,2,0,0,0,0|2,0,0]=4 8080 B13R1.135 CNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000731044 [0,2,0,0,0,0|2,0,0]=4 8081 B13R1.135 CNC(=O)C(C)Oc1ccccc1 11a_106832991635_100000188414 [0,2,0,0,0,0|1,0,0]=3 8082 B13R1.135 CNC(=O)C(C)Oc1ccccc1 1626a_100102657272_100000188414 [0,2,0,0,0,0|1,0,0]=3 8083 B13R1.135 CNC(=O)C(C)Oc1ccccc1 240690a_100102657272_100000188414 [0,2,0,0,0,0|1,0,0]=3 8084 B13R1.135 CNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000731044 [0,2,0,0,0,0|1,0,0]=3 8085 B13R1.135 CNC(=O)C(C)Oc1ccccc1 527a_100102657272_100000188414 [0,2,0,0,0,0|1,0,0]=3 8086 B13R1.135 CNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000209862 [0,2,0,0,0,0|1,0,0]=3 8087 B13R1.135 CNC(=O)C(C)Oc1cccnc1 34a_100000210849_100000731044 [0,2,0,0,0,0|2,0,0]=4 8088 B13R1.135 CNC(=O)C(C)Oc1cccnc1 7a_100000210849_100000209862 [0,2,0,0,0,0|2,0,0]=4 8089 B13R1.135 CNC(=O)C(C)Oc1ccncc1 34a_100000212176_100000731044 [0,2,0,0,0,0|2,0,0]=4 8090 B13R1.135 CNC(=O)C(C)Sc1ccccc1 11a_106832991635_100000199063 [0,2,0,0,0,0|1,1,0]=4 8091 B13R1.135 CNC(=O)C(C)Sc1ccccc1 1626a_100102657272_100000199063 [0,2,0,0,0,0|1,1,0]=4 8092 B13R1.135 CNC(=O)C(C)Sc1ccccc1 240690a_100102657272_100000199063 [0,2,0,0,0,0|1,1,0]=4 8093 B13R1.135 CNC(=O)C(C)Sc1ccccc1 527a_100102657272_100000199063 [0,2,0,0,0,0|1,1,0]=4 8094 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000209862_100000041952 [0,2,0,0,0,0|1,1,0]=4 8095 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000731044 [0,2,0,0,0,0|1,1,0]=4 8096 B13R1.135 CNC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813575 [0,2,0,0,0,0|2,0,0]=4 8097 B13R1.135 CNC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813575 [0,2,0,0,0,0|1,0,0]=3 8098 B13R1.135 CNC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813575 [0,2,0,0,0,0|1,0,0]=3 8099 B13R1.135 CNC(=O)C(F)Oc1cccnc1 34a_100000210849_100009813575 [0,2,0,0,0,0|2,0,0]=4 8100 B13R1.135 CNC(=O)C(F)Oc1cccnc1 7a_100000210849_100009813575 [0,2,0,0,0,0|2,0,0]=4 8101 B13R1.135 CNC(=O)C(F)Oc1ccncc1 34a_100000212176_100009813575 [0,2,0,0,0,0|2,0,0]=4 8102 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813575 [0,2,0,0,0,0|1,1,0]=4 8103 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100009813575_100000041952 [0,2,0,0,0,0|1,1,0]=4 8104 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [0,2,0,0,0,0|2,0,0]=4 8105 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,2,0,0,0,0|1,0,1]=4 8106 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,2,0,0,0,0|1,0,1]=4 8107 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,2,0,0,0,0|1,0,1]=4 8108 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [0,2,0,0,0,0|1,0,0]=3 8109 B13R1.135 COC(=O)C(C)Oc1ccccc1 34a_100000210340_100000211248 [0,2,0,0,0,0|0,0,0]=2 8110 B13R1.135 COC(=O)C(C)Oc1ccccc1 7a_100000210340_100000211248 [0,2,0,0,0,0|0,0,0]=2 8111 B13R1.135 COC(=O)C(C)Oc1cccnc1 34a_100000210849_100000211248 [0,2,0,0,0,0|1,0,0]=3 8112 B13R1.135 COC(=O)C(C)Oc1cccnc1 7a_100000210849_100000211248 [0,2,0,0,0,0|1,0,0]=3 8113 B13R1.135 COC(=O)C(C)Oc1ccncc1 34a_100000212176_100000211248 [0,2,0,0,0,0|1,0,0]=3 8114 B13R1.135 COC(=O)C(C)Oc1ccnnc1 34a_100015204005_100000211248 [0,2,0,0,0,0|2,0,0]=4 8115 B13R1.135 COC(=O)C(C)Oc1cncnc1 7a_100000754086_100000211248 [0,2,0,0,0,0|2,0,0]=4 8116 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000211248_100000041952 [0,2,0,0,0,0|0,1,0]=3 8117 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000719477_100000211248 [0,2,0,0,0,0|0,1,0]=3 8118 B13R1.135 COC(=O)C(C)Sc1ccccn1 62a_100000211248_100011216584 [0,2,0,0,0,0|1,1,0]=4 8119 B13R1.135 COC(=O)C(C)Sc1ccccn1 62a_100011216584_100000211248 [0,2,0,0,0,0|1,1,0]=4 8120 B13R1.135 COC(=O)C(C)Sc1cccnc1 62a_100000210063_100000211248 [0,2,0,0,0,0|1,1,0]=4 8121 B13R1.135 COC(=O)C(C)Sc1cccnc1 62a_100000211248_100000210063 [0,2,0,0,0,0|1,1,0]=4 8122 B13R1.135 COC(=O)C(C)Sc1ccncc1 62a_100000211248_100000728582 [0,2,0,0,0,0|1,1,0]=4 8123 B13R1.135 COC(=O)C(C)Sc1ccncc1 62a_100000728582_100000211248 [0,2,0,0,0,0|1,1,0]=4 8124 B13R1.135 O=C(CF)[C@H](O)Cc1ccccc1 1458a_100009816399_100015361967 [0,2,0,0,0,0|2,0,0]=4 8125 B13R1.254 CC(C)(CO)COc1ccccc1 34a_100000210340_100009813988 [0,2,0,0,0,0|1,0,1]=4 8126 B13R1.254 CC(C)(CO)COc1ccccc1 7a_100000210340_100009813988 [0,2,0,0,0,0|1,0,1]=4 8127 B13R1.254 COC(C)(C)COc1ccccc1 34a_100000210340_100000701081 [0,2,0,0,0,0|1,0,1]=4 8128 B13R1.417 COC(CN)COc1ccccc1 34a_100000738913_200000210301 [0,2,0,0,0,0|1,0,1]=4 8129 B13R1.417 COC(COc1ccccc1)OC 34a_100000210340_100000211822 [0,2,0,0,0,0|0,0,2]=4 8130 B13R1.417 COC(COc1ccccc1)OC 7a_100000210340_100000751394 [0,2,0,0,0,0|0,0,2]=4 8131 B13R1.417 [13CH3]OC(CN)COc1ccccc1 34a_100000738913_200025704644 [0,2,0,0,0,0|1,0,1]=4 8132 B13R1.528 C#CC(=O)CCc1ccccc1Br 1458a_100000211873_100012161201 [0,2,0,0,0,0|2,0,0]=4 8133 B13R1.528 C#CC(=O)CCc1ccccc1C 1458a_100000211873_100011713688 [0,2,0,0,0,0|2,0,0]=4 8134 B13R1.528 C#CC(=O)CCc1ccccc1Cl 1458a_100000211873_100011713703 [0,2,0,0,0,0|2,0,0]=4 8135 B13R1.528 C#CC(=O)CCc1ccccc1F 1458a_100000211873_100000720011 [0,2,0,0,0,0|2,0,0]=4 8136 B13R1.528 C#CC(=O)CCc1ccccc1O 1458a_100000211873_100000722297 [0,2,0,0,0,0|2,0,0]=4 8137 B13R1.528 C=C(C#N)COc1ccccc1Br 34a_100000181306_100000694840 [0,2,0,0,0,0|2,0,0]=4 8138 B13R1.528 C=C(C#N)COc1ccccc1C 34a_100000210338_100000694840 [0,2,0,0,0,0|2,0,0]=4 8139 B13R1.528 C=C(C#N)COc1ccccc1Cl 34a_100000210172_100000694840 [0,2,0,0,0,0|2,0,0]=4 8140 B13R1.528 C=C(C#N)COc1ccccc1F 34a_100000210171_100000694840 [0,2,0,0,0,0|2,0,0]=4 8141 B13R1.528 C=C(C#N)COc1ccccc1I 34a_100000739446_100000694840 [0,2,0,0,0,0|2,0,0]=4 8142 B13R1.528 C=C(C#N)COc1ccccc1N 34a_100000185747_100000694840 [0,2,0,0,0,0|2,0,0]=4 8143 B13R1.528 C=CC(=O)CCc1ccccc1Br 1458a_100000185746_100012161201 [0,2,0,0,0,0|2,0,0]=4 8144 B13R1.528 C=CC(=O)CCc1ccccc1C 1458a_100000185746_100011713688 [0,2,0,0,0,0|2,0,0]=4 8145 B13R1.528 C=CC(=O)CCc1ccccc1Cl 1458a_100000185746_100011713703 [0,2,0,0,0,0|2,0,0]=4 8146 B13R1.528 C=CC(=O)CCc1ccccc1F 1458a_100000185746_100000720011 [0,2,0,0,0,0|2,0,0]=4 8147 B13R1.528 C=CC(=O)CCc1ccccc1O 1458a_100000185746_100000722297 [0,2,0,0,0,0|2,0,0]=4 8148 B13R1.528 C=CC(O)COc1ccccc1Br 34a_100000181306_100000730141 [0,2,0,0,0,0|1,0,1]=4 8149 B13R1.528 C=CC(O)COc1ccccc1Br 7a_100000181306_100000730141 [0,2,0,0,0,0|1,0,1]=4 8150 B13R1.528 C=CC(O)COc1ccccc1C 34a_100000210338_100000730141 [0,2,0,0,0,0|1,0,1]=4 8151 B13R1.528 C=CC(O)COc1ccccc1C 7a_100000210338_100000730141 [0,2,0,0,0,0|1,0,1]=4 8152 B13R1.528 C=CC(O)COc1ccccc1Cl 34a_100000210172_100000730141 [0,2,0,0,0,0|1,0,1]=4 8153 B13R1.528 C=CC(O)COc1ccccc1Cl 7a_100000210172_100000730141 [0,2,0,0,0,0|1,0,1]=4 8154 B13R1.528 C=CC(O)COc1ccccc1F 34a_100000210171_100000730141 [0,2,0,0,0,0|1,0,1]=4 8155 B13R1.528 C=CC(O)COc1ccccc1F 7a_100000210171_100000730141 [0,2,0,0,0,0|1,0,1]=4 8156 B13R1.528 C=CC(O)COc1ccccc1I 34a_100000739446_100000730141 [0,2,0,0,0,0|1,0,1]=4 8157 B13R1.528 C=CC(O)COc1ccccc1I 7a_100000739446_100000730141 [0,2,0,0,0,0|1,0,1]=4 8158 B13R1.528 C=CC(O)COc1ccccc1N 34a_100000185747_100000730141 [0,2,0,0,0,0|1,0,1]=4 8159 B13R1.528 C=CC(O)COc1ccccc1N 7a_100000185747_100000730141 [0,2,0,0,0,0|1,0,1]=4 8160 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000210414_100012161201 [0,2,0,0,0,0|2,0,0]=4 8161 B13R1.528 CCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210202 [0,2,0,0,0,0|2,0,0]=4 8162 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000210414_100011713688 [0,2,0,0,0,0|2,0,0]=4 8163 B13R1.528 CCC(=O)CCc1ccccc1C 1458a_100000748742_100000210202 [0,2,0,0,0,0|2,0,0]=4 8164 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210202 [0,2,0,0,0,0|2,0,0]=4 8165 B13R1.528 CCC(=O)CCc1ccccc1Cl 1458a_100000210414_100011713703 [0,2,0,0,0,0|2,0,0]=4 8166 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000189703_100000210202 [0,2,0,0,0,0|2,0,0]=4 8167 B13R1.528 CCC(=O)CCc1ccccc1F 1458a_100000210414_100000720011 [0,2,0,0,0,0|2,0,0]=4 8168 B13R1.528 CCC(=O)CCc1ccccc1I 1458a_100000037306_100000210202 [0,2,0,0,0,0|2,0,0]=4 8169 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000181328_100000210202 [0,2,0,0,0,0|2,0,0]=4 8170 B13R1.528 CCC(=O)CCc1ccccc1O 1458a_100000210414_100000722297 [0,2,0,0,0,0|2,0,0]=4 8171 B13R1.528 CCC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000747405 [0,2,0,0,0,0|2,0,0]=4 8172 B13R1.528 CCC(=O)COc1ccccc1Br 1458a_100000216496_100000210202 [0,2,0,0,0,0|1,0,0]=3 8173 B13R1.528 CCC(=O)COc1ccccc1Br 7a_100000181306_100000747405 [0,2,0,0,0,0|1,0,0]=3 8174 B13R1.528 CCC(=O)COc1ccccc1C 1458a_100000182418_100000210202 [0,2,0,0,0,0|1,0,0]=3 8175 B13R1.528 CCC(=O)COc1ccccc1C 7a_100000210338_100000747405 [0,2,0,0,0,0|1,0,0]=3 8176 B13R1.528 CCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210202 [0,2,0,0,0,0|1,0,0]=3 8177 B13R1.528 CCC(=O)COc1ccccc1Cl 7a_100000210172_100000747405 [0,2,0,0,0,0|1,0,0]=3 8178 B13R1.528 CCC(=O)COc1ccccc1F 1458a_100000182486_100000210202 [0,2,0,0,0,0|1,0,0]=3 8179 B13R1.528 CCC(=O)COc1ccccc1F 7a_100000210171_100000747405 [0,2,0,0,0,0|1,0,0]=3 8180 B13R1.528 CCC(=O)COc1ccccc1I 7a_100000739446_100000747405 [0,2,0,0,0,0|1,0,0]=3 8181 B13R1.528 CCC(=O)COc1ccccc1N 7a_100000185747_100000747405 [0,2,0,0,0,0|1,0,0]=3 8182 B13R1.528 CCC(=O)COc1ccccc1O 1458a_100000183020_100000210202 [0,2,0,0,0,0|1,0,0]=3 8183 B13R1.528 CCC(=O)COc1cccnc1Br 7a_100000744436_100000747405 [0,2,0,0,0,0|2,0,0]=4 8184 B13R1.528 CCC(=O)COc1cccnc1C 7a_100000745507_100000747405 [0,2,0,0,0,0|2,0,0]=4 8185 B13R1.528 CCC(=O)COc1cccnc1Cl 7a_100000757616_100000747405 [0,2,0,0,0,0|2,0,0]=4 8186 B13R1.528 CCC(=O)COc1cccnc1F 7a_100000061740_100000747405 [0,2,0,0,0,0|2,0,0]=4 8187 B13R1.528 CCC(=O)COc1cccnc1I 7a_100000034122_100000747405 [0,2,0,0,0,0|2,0,0]=4 8188 B13R1.528 CCC(=O)COc1cccnc1N 7a_100000211975_100000747405 [0,2,0,0,0,0|2,0,0]=4 8189 B13R1.528 CCC(=O)COc1cccoc1=O 7a_100000077404_100000747405 [0,2,0,0,0,0|2,0,0]=4 8190 B13R1.528 CCC(=O)COc1cnccc1C 7a_100011997053_100000747405 [0,2,0,0,0,0|2,0,0]=4 8191 B13R1.528 CCC(=O)CSc1ccccc1Br 62a_100000695589_100000747405 [0,2,0,0,0,0|1,1,0]=4 8192 B13R1.528 CCC(=O)CSc1ccccc1Br 62a_100000747405_100000695589 [0,2,0,0,0,0|1,1,0]=4 8193 B13R1.528 CCC(=O)CSc1ccccc1C 1458a_100000183026_100000210202 [0,2,0,0,0,0|1,1,0]=4 8194 B13R1.528 CCC(=O)CSc1ccccc1C 62a_100000210755_100000747405 [0,2,0,0,0,0|1,1,0]=4 8195 B13R1.528 CCC(=O)CSc1ccccc1C 62a_100000747405_100000210755 [0,2,0,0,0,0|1,1,0]=4 8196 B13R1.528 CCC(=O)CSc1ccccc1Cl 62a_100000747405_100000764095 [0,2,0,0,0,0|1,1,0]=4 8197 B13R1.528 CCC(=O)CSc1ccccc1Cl 62a_100000764095_100000747405 [0,2,0,0,0,0|1,1,0]=4 8198 B13R1.528 CCC(=O)CSc1ccccc1F 1458a_100000179528_100000210202 [0,2,0,0,0,0|1,1,0]=4 8199 B13R1.528 CCC(=O)CSc1ccccc1F 62a_100000747405_100011215700 [0,2,0,0,0,0|1,1,0]=4 8200 B13R1.528 CCC(=O)CSc1ccccc1F 62a_100011215700_100000747405 [0,2,0,0,0,0|1,1,0]=4 8201 B13R1.528 CCC(=O)CSc1ccccc1N 62a_100000210017_100000747405 [0,2,0,0,0,0|1,1,0]=4 8202 B13R1.528 CCC(=O)CSc1ccccc1N 62a_100000747405_100000210017 [0,2,0,0,0,0|1,1,0]=4 8203 B13R1.528 CCC(=O)CSc1ccccc1O 1458a_100000695322_100000210202 [0,2,0,0,0,0|1,1,0]=4 8204 B13R1.528 CCC(=O)CSc1ccccc1O 62a_100000739446_100000747405 [0,2,0,0,0,0|1,1,0]=4 8205 B13R1.528 CCC(=O)CSc1ccccc1O 62a_100000747405_100000739446 [0,2,0,0,0,0|1,1,0]=4 8206 B13R1.528 CCC(O)COc1ccccc1Br 34a_100000181306_100011218378 [0,2,0,0,0,0|1,0,1]=4 8207 B13R1.528 CCC(O)COc1ccccc1Br 7a_100000181306_100011218378 [0,2,0,0,0,0|1,0,1]=4 8208 B13R1.528 CCC(O)COc1ccccc1C 34a_100000210338_100011218378 [0,2,0,0,0,0|1,0,1]=4 8209 B13R1.528 CCC(O)COc1ccccc1C 7a_100000210338_100011218378 [0,2,0,0,0,0|1,0,1]=4 8210 B13R1.528 CCC(O)COc1ccccc1Cl 34a_100000210172_100011218378 [0,2,0,0,0,0|1,0,1]=4 8211 B13R1.528 CCC(O)COc1ccccc1Cl 7a_100000210172_100011218378 [0,2,0,0,0,0|1,0,1]=4 8212 B13R1.528 CCC(O)COc1ccccc1F 34a_100000210171_100011218378 [0,2,0,0,0,0|1,0,1]=4 8213 B13R1.528 CCC(O)COc1ccccc1F 7a_100000210171_100011218378 [0,2,0,0,0,0|1,0,1]=4 8214 B13R1.528 CCC(O)COc1ccccc1I 34a_100000739446_100011218378 [0,2,0,0,0,0|1,0,1]=4 8215 B13R1.528 CCC(O)COc1ccccc1I 7a_100000739446_100011218378 [0,2,0,0,0,0|1,0,1]=4 8216 B13R1.528 CCC(O)COc1ccccc1N 34a_100000185747_100011218378 [0,2,0,0,0,0|1,0,1]=4 8217 B13R1.528 CCC(O)COc1ccccc1N 7a_100000185747_100011218378 [0,2,0,0,0,0|1,0,1]=4 8218 B13R1.528 CNC(=O)CCc1ccccc1Br 11a_106832991635_100000740810 [0,2,0,0,0,0|2,0,0]=4 8219 B13R1.528 CNC(=O)CCc1ccccc1Br 1626a_100102657272_100000740810 [0,2,0,0,0,0|2,0,0]=4 8220 B13R1.528 CNC(=O)CCc1ccccc1Br 240690a_100102657272_100000740810 [0,2,0,0,0,0|2,0,0]=4 8221 B13R1.528 CNC(=O)CCc1ccccc1Br 527a_100102657272_100000740810 [0,2,0,0,0,0|2,0,0]=4 8222 B13R1.528 CNC(=O)CCc1ccccc1C 11a_106832991635_100000748742 [0,2,0,0,0,0|2,0,0]=4 8223 B13R1.528 CNC(=O)CCc1ccccc1C 1626a_100102657272_100000748742 [0,2,0,0,0,0|2,0,0]=4 8224 B13R1.528 CNC(=O)CCc1ccccc1C 240690a_100102657272_100000748742 [0,2,0,0,0,0|2,0,0]=4 8225 B13R1.528 CNC(=O)CCc1ccccc1C 527a_100102657272_100000748742 [0,2,0,0,0,0|2,0,0]=4 8226 B13R1.528 CNC(=O)CCc1ccccc1Cl 11a_106832991635_100000184300 [0,2,0,0,0,0|2,0,0]=4 8227 B13R1.528 CNC(=O)CCc1ccccc1Cl 1626a_100102657272_100000184300 [0,2,0,0,0,0|2,0,0]=4 8228 B13R1.528 CNC(=O)CCc1ccccc1Cl 240690a_100102657272_100000184300 [0,2,0,0,0,0|2,0,0]=4 8229 B13R1.528 CNC(=O)CCc1ccccc1Cl 527a_100102657272_100000184300 [0,2,0,0,0,0|2,0,0]=4 8230 B13R1.528 CNC(=O)CCc1ccccc1F 11a_106832991635_100000189703 [0,2,0,0,0,0|2,0,0]=4 8231 B13R1.528 CNC(=O)CCc1ccccc1F 1626a_100102657272_100000189703 [0,2,0,0,0,0|2,0,0]=4 8232 B13R1.528 CNC(=O)CCc1ccccc1F 240690a_100102657272_100000189703 [0,2,0,0,0,0|2,0,0]=4 8233 B13R1.528 CNC(=O)CCc1ccccc1F 527a_100102657272_100000189703 [0,2,0,0,0,0|2,0,0]=4 8234 B13R1.528 CNC(=O)CCc1ccccc1I 11a_106832991635_100000037306 [0,2,0,0,0,0|2,0,0]=4 8235 B13R1.528 CNC(=O)CCc1ccccc1I 1626a_100102657272_100000037306 [0,2,0,0,0,0|2,0,0]=4 8236 B13R1.528 CNC(=O)CCc1ccccc1I 240690a_100102657272_100000037306 [0,2,0,0,0,0|2,0,0]=4 8237 B13R1.528 CNC(=O)CCc1ccccc1I 527a_100102657272_100000037306 [0,2,0,0,0,0|2,0,0]=4 8238 B13R1.528 CNC(=O)CCc1ccccc1O 11a_106832991635_100000181328 [0,2,0,0,0,0|2,0,0]=4 8239 B13R1.528 CNC(=O)CCc1ccccc1O 240690a_100102657272_100000181328 [0,2,0,0,0,0|2,0,0]=4 8240 B13R1.528 CNC(=O)CCc1ccccc1O 527a_100102657272_100000181328 [0,2,0,0,0,0|2,0,0]=4 8241 B13R1.528 CNC(=O)CNc1ccccc1Br 34a_100000210017_100000183359 [0,2,0,0,0,0|2,0,0]=4 8242 B13R1.528 CNC(=O)CNc1ccccc1C 34a_100015192222_100000183359 [0,2,0,0,0,0|2,0,0]=4 8243 B13R1.528 CNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183359 [0,2,0,0,0,0|2,0,0]=4 8244 B13R1.528 CNC(=O)CNc1ccccc1F 34a_100000210422_100000183359 [0,2,0,0,0,0|2,0,0]=4 8245 B13R1.528 CNC(=O)CNc1ccccc1I 34a_100000210053_100000183359 [0,2,0,0,0,0|2,0,0]=4 8246 B13R1.528 CNC(=O)CNc1ccccc1O 34a_100000185747_100000183359 [0,2,0,0,0,0|2,0,0]=4 8247 B13R1.528 CNC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000183359 [0,2,0,0,0,0|2,0,0]=4 8248 B13R1.528 CNC(=O)COc1ccccc1Br 11a_106832991635_100000216496 [0,2,0,0,0,0|1,0,0]=3 8249 B13R1.528 CNC(=O)COc1ccccc1Br 1626a_100102657272_100000216496 [0,2,0,0,0,0|1,0,0]=3 8250 B13R1.528 CNC(=O)COc1ccccc1Br 240690a_100102657272_100000216496 [0,2,0,0,0,0|1,0,0]=3 8251 B13R1.528 CNC(=O)COc1ccccc1Br 34a_100000181306_100000183359 [0,2,0,0,0,0|1,0,0]=3 8252 B13R1.528 CNC(=O)COc1ccccc1Br 527a_100102657272_100000216496 [0,2,0,0,0,0|1,0,0]=3 8253 B13R1.528 CNC(=O)COc1ccccc1Br 7a_100000181306_100000183359 [0,2,0,0,0,0|1,0,0]=3 8254 B13R1.528 CNC(=O)COc1ccccc1C 11a_106832991635_100000182418 [0,2,0,0,0,0|1,0,0]=3 8255 B13R1.528 CNC(=O)COc1ccccc1C 1626a_100102657272_100000182418 [0,2,0,0,0,0|1,0,0]=3 8256 B13R1.528 CNC(=O)COc1ccccc1C 240690a_100102657272_100000182418 [0,2,0,0,0,0|1,0,0]=3 8257 B13R1.528 CNC(=O)COc1ccccc1C 34a_100000210338_100000183359 [0,2,0,0,0,0|1,0,0]=3 8258 B13R1.528 CNC(=O)COc1ccccc1C 527a_100102657272_100000182418 [0,2,0,0,0,0|1,0,0]=3 8259 B13R1.528 CNC(=O)COc1ccccc1C 7a_100000210338_100000183359 [0,2,0,0,0,0|1,0,0]=3 8260 B13R1.528 CNC(=O)COc1ccccc1Cl 11a_106832991635_100000185159 [0,2,0,0,0,0|1,0,0]=3 8261 B13R1.528 CNC(=O)COc1ccccc1Cl 1626a_100102657272_100000185159 [0,2,0,0,0,0|1,0,0]=3 8262 B13R1.528 CNC(=O)COc1ccccc1Cl 240690a_100102657272_100000185159 [0,2,0,0,0,0|1,0,0]=3 8263 B13R1.528 CNC(=O)COc1ccccc1Cl 34a_100000210172_100000183359 [0,2,0,0,0,0|1,0,0]=3 8264 B13R1.528 CNC(=O)COc1ccccc1Cl 527a_100102657272_100000185159 [0,2,0,0,0,0|1,0,0]=3 8265 B13R1.528 CNC(=O)COc1ccccc1Cl 7a_100000210172_100000183359 [0,2,0,0,0,0|1,0,0]=3 8266 B13R1.528 CNC(=O)COc1ccccc1F 11a_106832991635_100000182486 [0,2,0,0,0,0|1,0,0]=3 8267 B13R1.528 CNC(=O)COc1ccccc1F 1626a_100102657272_100000182486 [0,2,0,0,0,0|1,0,0]=3 8268 B13R1.528 CNC(=O)COc1ccccc1F 240690a_100102657272_100000182486 [0,2,0,0,0,0|1,0,0]=3 8269 B13R1.528 CNC(=O)COc1ccccc1F 34a_100000210171_100000183359 [0,2,0,0,0,0|1,0,0]=3 8270 B13R1.528 CNC(=O)COc1ccccc1F 527a_100102657272_100000182486 [0,2,0,0,0,0|1,0,0]=3 8271 B13R1.528 CNC(=O)COc1ccccc1F 7a_100000210171_100000183359 [0,2,0,0,0,0|1,0,0]=3 8272 B13R1.528 CNC(=O)COc1ccccc1I 34a_100000739446_100000183359 [0,2,0,0,0,0|1,0,0]=3 8273 B13R1.528 CNC(=O)COc1ccccc1I 7a_100000739446_100000183359 [0,2,0,0,0,0|1,0,0]=3 8274 B13R1.528 CNC(=O)COc1ccccc1N 34a_100000185747_100000183359 [0,2,0,0,0,0|1,0,0]=3 8275 B13R1.528 CNC(=O)COc1ccccc1N 7a_100000185747_100000183359 [0,2,0,0,0,0|1,0,0]=3 8276 B13R1.528 CNC(=O)COc1ccccc1O 240690a_100102657272_100000183020 [0,2,0,0,0,0|1,0,0]=3 8277 B13R1.528 CNC(=O)COc1ccccc1O 271570a_203496583355_200000148481 [0,2,0,0,0,0|1,0,0]=3 8278 B13R1.528 CNC(=O)COc1ccccc1O 527a_100102657272_100000183020 [0,2,0,0,0,0|1,0,0]=3 8279 B13R1.528 CNC(=O)COc1cccnc1Br 34a_100000744436_100000183359 [0,2,0,0,0,0|2,0,0]=4 8280 B13R1.528 CNC(=O)COc1cccnc1Br 7a_100000744436_100000183359 [0,2,0,0,0,0|2,0,0]=4 8281 B13R1.528 CNC(=O)COc1cccnc1C 34a_100000745507_100000183359 [0,2,0,0,0,0|2,0,0]=4 8282 B13R1.528 CNC(=O)COc1cccnc1C 7a_100000745507_100000183359 [0,2,0,0,0,0|2,0,0]=4 8283 B13R1.528 CNC(=O)COc1cccnc1Cl 34a_100000757616_100000183359 [0,2,0,0,0,0|2,0,0]=4 8284 B13R1.528 CNC(=O)COc1cccnc1Cl 7a_100000757616_100000183359 [0,2,0,0,0,0|2,0,0]=4 8285 B13R1.528 CNC(=O)COc1cccnc1F 34a_100000061740_100000183359 [0,2,0,0,0,0|2,0,0]=4 8286 B13R1.528 CNC(=O)COc1cccnc1F 7a_100000061740_100000183359 [0,2,0,0,0,0|2,0,0]=4 8287 B13R1.528 CNC(=O)COc1cccnc1I 34a_100000034122_100000183359 [0,2,0,0,0,0|2,0,0]=4 8288 B13R1.528 CNC(=O)COc1cccnc1I 7a_100000034122_100000183359 [0,2,0,0,0,0|2,0,0]=4 8289 B13R1.528 CNC(=O)COc1cccnc1N 34a_100000211975_100000183359 [0,2,0,0,0,0|2,0,0]=4 8290 B13R1.528 CNC(=O)COc1cccnc1N 7a_100000211975_100000183359 [0,2,0,0,0,0|2,0,0]=4 8291 B13R1.528 CNC(=O)COc1cccoc1=O 34a_100000077404_100000183359 [0,2,0,0,0,0|2,0,0]=4 8292 B13R1.528 CNC(=O)COc1cccoc1=O 7a_100000077404_100000183359 [0,2,0,0,0,0|2,0,0]=4 8293 B13R1.528 CNC(=O)COc1ccncc1Br 34a_100011996408_100000183359 [0,2,0,0,0,0|2,0,0]=4 8294 B13R1.528 CNC(=O)COc1ccncc1C 34a_100000694293_100000183359 [0,2,0,0,0,0|2,0,0]=4 8295 B13R1.528 CNC(=O)COc1ccncc1Cl 34a_100011997054_100000183359 [0,2,0,0,0,0|2,0,0]=4 8296 B13R1.528 CNC(=O)COc1ccncc1F 34a_200000081243_100000183359 [0,2,0,0,0,0|2,0,0]=4 8297 B13R1.528 CNC(=O)COc1cnccc1C 34a_100011997053_100000183359 [0,2,0,0,0,0|2,0,0]=4 8298 B13R1.528 CNC(=O)COc1cnccc1C 7a_100011997053_100000183359 [0,2,0,0,0,0|2,0,0]=4 8299 B13R1.528 CNC(=O)COc1cnccc1Cl 34a_100011996695_100000183359 [0,2,0,0,0,0|2,0,0]=4 8300 B13R1.528 CNC(=O)COc1cnccc1I 34a_100000050107_100000183359 [0,2,0,0,0,0|2,0,0]=4 8301 B13R1.528 CNC(=O)COc1cnccc1N 34a_100000753702_100000183359 [0,2,0,0,0,0|2,0,0]=4 8302 B13R1.528 CNC(=O)COc1coccc1=O 34a_100000060831_100000183359 [0,2,0,0,0,0|2,0,0]=4 8303 B13R1.528 CNC(=O)COc1ncccc1Cl 34a_100011290957_100000183359 [0,2,0,0,0,0|2,0,0]=4 8304 B13R1.528 CNC(=O)COc1ncccc1F 34a_100011219419_100000183359 [0,2,0,0,0,0|2,0,0]=4 8305 B13R1.528 CNC(=O)COc1ncccc1N 34a_100000746358_100000183359 [0,2,0,0,0,0|2,0,0]=4 8306 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000183359_100000695589 [0,2,0,0,0,0|1,1,0]=4 8307 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000695589_100000183359 [0,2,0,0,0,0|1,1,0]=4 8308 B13R1.528 CNC(=O)CSc1ccccc1C 11a_106832991635_100000183026 [0,2,0,0,0,0|1,1,0]=4 8309 B13R1.528 CNC(=O)CSc1ccccc1C 1626a_100102657272_100000183026 [0,2,0,0,0,0|1,1,0]=4 8310 B13R1.528 CNC(=O)CSc1ccccc1C 240690a_100102657272_100000183026 [0,2,0,0,0,0|1,1,0]=4 8311 B13R1.528 CNC(=O)CSc1ccccc1C 527a_100102657272_100000183026 [0,2,0,0,0,0|1,1,0]=4 8312 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000183359_100000210755 [0,2,0,0,0,0|1,1,0]=4 8313 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000210755_100000183359 [0,2,0,0,0,0|1,1,0]=4 8314 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000183359_100000764095 [0,2,0,0,0,0|1,1,0]=4 8315 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000764095_100000183359 [0,2,0,0,0,0|1,1,0]=4 8316 B13R1.528 CNC(=O)CSc1ccccc1F 11a_106832991635_100000179528 [0,2,0,0,0,0|1,1,0]=4 8317 B13R1.528 CNC(=O)CSc1ccccc1F 1626a_100102657272_100000179528 [0,2,0,0,0,0|1,1,0]=4 8318 B13R1.528 CNC(=O)CSc1ccccc1F 240690a_100102657272_100000179528 [0,2,0,0,0,0|1,1,0]=4 8319 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100000183359_100011215700 [0,2,0,0,0,0|1,1,0]=4 8320 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100011215700_100000183359 [0,2,0,0,0,0|1,1,0]=4 8321 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000183359_100000210017 [0,2,0,0,0,0|1,1,0]=4 8322 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000210017_100000183359 [0,2,0,0,0,0|1,1,0]=4 8323 B13R1.528 CNC(=O)CSc1ccccc1O 240690a_100102657272_100000695322 [0,2,0,0,0,0|1,1,0]=4 8324 B13R1.528 CNC(=O)CSc1ccccc1O 527a_100102657272_100000695322 [0,2,0,0,0,0|1,1,0]=4 8325 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000183359_100000739446 [0,2,0,0,0,0|1,1,0]=4 8326 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000739446_100000183359 [0,2,0,0,0,0|1,1,0]=4 8327 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [0,2,0,0,0,0|1,0,1]=4 8328 B13R1.528 COC(=O)CCc1ccccc1O 271570a_203496583355_100009815308 [0,2,0,0,0,0|1,0,0]=3 8329 B13R1.528 COC(=O)CNc1ccccc1Br 34a_100000210017_100000747449 [0,2,0,0,0,0|1,0,0]=3 8330 B13R1.528 COC(=O)CNc1ccccc1C 34a_100015192222_100000747449 [0,2,0,0,0,0|1,0,0]=3 8331 B13R1.528 COC(=O)CNc1ccccc1Cl 34a_100000185783_100000747449 [0,2,0,0,0,0|1,0,0]=3 8332 B13R1.528 COC(=O)CNc1ccccc1F 34a_100000210422_100000747449 [0,2,0,0,0,0|1,0,0]=3 8333 B13R1.528 COC(=O)CNc1ccccc1I 34a_100000210053_100000747449 [0,2,0,0,0,0|1,0,0]=3 8334 B13R1.528 COC(=O)CNc1ccccc1O 34a_100000185747_100000747449 [0,2,0,0,0,0|1,0,0]=3 8335 B13R1.528 COC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000747449 [0,2,0,0,0,0|1,0,0]=3 8336 B13R1.528 COC(=O)COc1ccccc1Br 34a_100000181306_100000747449 [0,2,0,0,0,0|0,0,0]=2 8337 B13R1.528 COC(=O)COc1ccccc1Br 7a_100000181306_100000747449 [0,2,0,0,0,0|0,0,0]=2 8338 B13R1.528 COC(=O)COc1ccccc1C 34a_100000210338_100000747449 [0,2,0,0,0,0|0,0,0]=2 8339 B13R1.528 COC(=O)COc1ccccc1C 7a_100000210338_100000747449 [0,2,0,0,0,0|0,0,0]=2 8340 B13R1.528 COC(=O)COc1ccccc1Cl 34a_100000210172_100000747449 [0,2,0,0,0,0|0,0,0]=2 8341 B13R1.528 COC(=O)COc1ccccc1Cl 7a_100000210172_100000747449 [0,2,0,0,0,0|0,0,0]=2 8342 B13R1.528 COC(=O)COc1ccccc1F 34a_100000210171_100000747449 [0,2,0,0,0,0|0,0,0]=2 8343 B13R1.528 COC(=O)COc1ccccc1F 7a_100000210171_100000747449 [0,2,0,0,0,0|0,0,0]=2 8344 B13R1.528 COC(=O)COc1ccccc1I 34a_100000739446_100000747449 [0,2,0,0,0,0|0,0,0]=2 8345 B13R1.528 COC(=O)COc1ccccc1I 7a_100000739446_100000747449 [0,2,0,0,0,0|0,0,0]=2 8346 B13R1.528 COC(=O)COc1ccccc1N 34a_100000185747_100000747449 [0,2,0,0,0,0|0,0,0]=2 8347 B13R1.528 COC(=O)COc1ccccc1N 7a_100000185747_100000747449 [0,2,0,0,0,0|0,0,0]=2 8348 B13R1.528 COC(=O)COc1ccccc1O 271570a_203496583355_200000173920 [0,2,0,0,0,0|0,0,0]=2 8349 B13R1.528 COC(=O)COc1cccnc1Br 34a_100000744436_100000747449 [0,2,0,0,0,0|1,0,0]=3 8350 B13R1.528 COC(=O)COc1cccnc1Br 7a_100000744436_100000747449 [0,2,0,0,0,0|1,0,0]=3 8351 B13R1.528 COC(=O)COc1cccnc1C 34a_100000745507_100000747449 [0,2,0,0,0,0|1,0,0]=3 8352 B13R1.528 COC(=O)COc1cccnc1C 7a_100000745507_100000747449 [0,2,0,0,0,0|1,0,0]=3 8353 B13R1.528 COC(=O)COc1cccnc1Cl 34a_100000757616_100000747449 [0,2,0,0,0,0|1,0,0]=3 8354 B13R1.528 COC(=O)COc1cccnc1Cl 7a_100000757616_100000747449 [0,2,0,0,0,0|1,0,0]=3 8355 B13R1.528 COC(=O)COc1cccnc1F 34a_100000061740_100000747449 [0,2,0,0,0,0|1,0,0]=3 8356 B13R1.528 COC(=O)COc1cccnc1F 7a_100000061740_100000747449 [0,2,0,0,0,0|1,0,0]=3 8357 B13R1.528 COC(=O)COc1cccnc1I 34a_100000034122_100000747449 [0,2,0,0,0,0|1,0,0]=3 8358 B13R1.528 COC(=O)COc1cccnc1I 7a_100000034122_100000747449 [0,2,0,0,0,0|1,0,0]=3 8359 B13R1.528 COC(=O)COc1cccnc1N 34a_100000211975_100000747449 [0,2,0,0,0,0|1,0,0]=3 8360 B13R1.528 COC(=O)COc1cccnc1N 7a_100000211975_100000747449 [0,2,0,0,0,0|1,0,0]=3 8361 B13R1.528 COC(=O)COc1cccoc1=O 34a_100000077404_100000747449 [0,2,0,0,0,0|1,0,0]=3 8362 B13R1.528 COC(=O)COc1cccoc1=O 7a_100000077404_100000747449 [0,2,0,0,0,0|1,0,0]=3 8363 B13R1.528 COC(=O)COc1ccncc1Br 34a_100011996408_100000747449 [0,2,0,0,0,0|1,0,0]=3 8364 B13R1.528 COC(=O)COc1ccncc1C 34a_100000694293_100000747449 [0,2,0,0,0,0|1,0,0]=3 8365 B13R1.528 COC(=O)COc1ccncc1Cl 34a_100011997054_100000747449 [0,2,0,0,0,0|1,0,0]=3 8366 B13R1.528 COC(=O)COc1ccncc1F 34a_200000081243_100000747449 [0,2,0,0,0,0|1,0,0]=3 8367 B13R1.528 COC(=O)COc1cnccc1C 34a_100011997053_100000747449 [0,2,0,0,0,0|1,0,0]=3 8368 B13R1.528 COC(=O)COc1cnccc1C 7a_100011997053_100000747449 [0,2,0,0,0,0|1,0,0]=3 8369 B13R1.528 COC(=O)COc1cnccc1Cl 34a_100011996695_100000747449 [0,2,0,0,0,0|1,0,0]=3 8370 B13R1.528 COC(=O)COc1cnccc1I 34a_100000050107_100000747449 [0,2,0,0,0,0|1,0,0]=3 8371 B13R1.528 COC(=O)COc1cnccc1N 34a_100000753702_100000747449 [0,2,0,0,0,0|1,0,0]=3 8372 B13R1.528 COC(=O)COc1cncnc1N 7a_100000112926_100000747449 [0,2,0,0,0,0|2,0,0]=4 8373 B13R1.528 COC(=O)COc1coccc1=O 34a_100000060831_100000747449 [0,2,0,0,0,0|1,0,0]=3 8374 B13R1.528 COC(=O)COc1ncccc1Cl 34a_100011290957_100000747449 [0,2,0,0,0,0|1,0,0]=3 8375 B13R1.528 COC(=O)COc1ncccc1F 34a_100011219419_100000747449 [0,2,0,0,0,0|1,0,0]=3 8376 B13R1.528 COC(=O)COc1ncccc1N 34a_100000746358_100000747449 [0,2,0,0,0,0|1,0,0]=3 8377 B13R1.528 COC(=O)COc1nccnc1C 34a_100000766352_100000747449 [0,2,0,0,0,0|2,0,0]=4 8378 B13R1.528 COC(=O)CSc1c[nH]ccc1=O 62a_100000747449_100009998708 [0,2,0,0,0,0|1,1,0]=4 8379 B13R1.528 COC(=O)CSc1c[nH]ccc1=O 62a_100009998708_100000747449 [0,2,0,0,0,0|1,1,0]=4 8380 B13R1.528 COC(=O)CSc1c[nH]ccc1=S 62a_100000747449_200012280681 [0,2,0,0,0,0|1,1,0]=4 8381 B13R1.528 COC(=O)CSc1c[nH]ccc1=S 62a_200012280681_100000747449 [0,2,0,0,0,0|1,1,0]=4 8382 B13R1.528 COC(=O)CSc1cccc[n+]1C 62a_100000747449_100000212160 [0,2,0,0,0,0|1,1,0]=4 8383 B13R1.528 COC(=O)CSc1cccc[n+]1[O-] 62a_100000747449_200000042595 [0,2,0,0,0,0|1,1,0]=4 8384 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000695589_100000747449 [0,2,0,0,0,0|0,1,0]=3 8385 B13R1.528 COC(=O)CSc1ccccc1Br 62a_100000747449_100000695589 [0,2,0,0,0,0|0,1,0]=3 8386 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000210755_100000747449 [0,2,0,0,0,0|0,1,0]=3 8387 B13R1.528 COC(=O)CSc1ccccc1C 62a_100000747449_100000210755 [0,2,0,0,0,0|0,1,0]=3 8388 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000747449_100000764095 [0,2,0,0,0,0|0,1,0]=3 8389 B13R1.528 COC(=O)CSc1ccccc1Cl 62a_100000764095_100000747449 [0,2,0,0,0,0|0,1,0]=3 8390 B13R1.528 COC(=O)CSc1ccccc1F 62a_100000747449_100011215700 [0,2,0,0,0,0|0,1,0]=3 8391 B13R1.528 COC(=O)CSc1ccccc1F 62a_100011215700_100000747449 [0,2,0,0,0,0|0,1,0]=3 8392 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000210017_100000747449 [0,2,0,0,0,0|0,1,0]=3 8393 B13R1.528 COC(=O)CSc1ccccc1N 62a_100000747449_100000210017 [0,2,0,0,0,0|0,1,0]=3 8394 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000739446_100000747449 [0,2,0,0,0,0|0,1,0]=3 8395 B13R1.528 COC(=O)CSc1ccccc1O 62a_100000747449_100000739446 [0,2,0,0,0,0|0,1,0]=3 8396 B13R1.528 COC(=O)CSc1cccnc1Br 62a_100000747449_100010202626 [0,2,0,0,0,0|1,1,0]=4 8397 B13R1.528 COC(=O)CSc1cccnc1Br 62a_100010202626_100000747449 [0,2,0,0,0,0|1,1,0]=4 8398 B13R1.528 COC(=O)CSc1cccnc1C 62a_100000747449_100000751574 [0,2,0,0,0,0|1,1,0]=4 8399 B13R1.528 COC(=O)CSc1cccnc1C 62a_100000751574_100000747449 [0,2,0,0,0,0|1,1,0]=4 8400 B13R1.528 COC(=O)CSc1cccnc1Cl 62a_100000036424_100000747449 [0,2,0,0,0,0|1,1,0]=4 8401 B13R1.528 COC(=O)CSc1cccnc1Cl 62a_100000747449_100000036424 [0,2,0,0,0,0|1,1,0]=4 8402 B13R1.528 COC(=O)CSc1cccnc1F 62a_100000747449_100009816115 [0,2,0,0,0,0|1,1,0]=4 8403 B13R1.528 COC(=O)CSc1cccnc1F 62a_100009816115_100000747449 [0,2,0,0,0,0|1,1,0]=4 8404 B13R1.528 COC(=O)CSc1cccnc1N 62a_100000045569_100000747449 [0,2,0,0,0,0|1,1,0]=4 8405 B13R1.528 COC(=O)CSc1cccnc1N 62a_100000747449_100000045569 [0,2,0,0,0,0|1,1,0]=4 8406 B13R1.528 COC(=O)CSc1cccnc1O 62a_100000747449_100000760158 [0,2,0,0,0,0|1,1,0]=4 8407 B13R1.528 COC(=O)CSc1cccnc1O 62a_100000760158_100000747449 [0,2,0,0,0,0|1,1,0]=4 8408 B13R1.528 COC(=O)CSc1ccncc1Br 62a_100000726257_100000747449 [0,2,0,0,0,0|1,1,0]=4 8409 B13R1.528 COC(=O)CSc1ccncc1Br 62a_100000747449_100000726257 [0,2,0,0,0,0|1,1,0]=4 8410 B13R1.528 COC(=O)CSc1ccncc1C 62a_100000747449_100000765111 [0,2,0,0,0,0|1,1,0]=4 8411 B13R1.528 COC(=O)CSc1ccncc1C 62a_100000765111_100000747449 [0,2,0,0,0,0|1,1,0]=4 8412 B13R1.528 COC(=O)CSc1ccncc1Cl 62a_100000708259_100000747449 [0,2,0,0,0,0|1,1,0]=4 8413 B13R1.528 COC(=O)CSc1ccncc1Cl 62a_100000747449_100000708259 [0,2,0,0,0,0|1,1,0]=4 8414 B13R1.528 COC(=O)CSc1ccncc1F 62a_100000047030_100000747449 [0,2,0,0,0,0|1,1,0]=4 8415 B13R1.528 COC(=O)CSc1ccncc1F 62a_100000747449_100000047030 [0,2,0,0,0,0|1,1,0]=4 8416 B13R1.528 COC(=O)CSc1ccncc1N 62a_100000747449_100000756074 [0,2,0,0,0,0|1,1,0]=4 8417 B13R1.528 COC(=O)CSc1ccncc1N 62a_100000756074_100000747449 [0,2,0,0,0,0|1,1,0]=4 8418 B13R1.528 COC(=O)CSc1ccncc1O 62a_100000747449_100009817591 [0,2,0,0,0,0|1,1,0]=4 8419 B13R1.528 COC(=O)CSc1ccncc1O 62a_100009817591_100000747449 [0,2,0,0,0,0|1,1,0]=4 8420 B13R1.528 COC(=O)CSc1cnccc1Br 62a_100000747449_100010138639 [0,2,0,0,0,0|1,1,0]=4 8421 B13R1.528 COC(=O)CSc1cnccc1Br 62a_100010138639_100000747449 [0,2,0,0,0,0|1,1,0]=4 8422 B13R1.528 COC(=O)CSc1cnccc1C 62a_100000747449_100000761580 [0,2,0,0,0,0|1,1,0]=4 8423 B13R1.528 COC(=O)CSc1cnccc1C 62a_100000761580_100000747449 [0,2,0,0,0,0|1,1,0]=4 8424 B13R1.528 COC(=O)CSc1cnccc1Cl 62a_100000747449_100009995489 [0,2,0,0,0,0|1,1,0]=4 8425 B13R1.528 COC(=O)CSc1cnccc1Cl 62a_100009995489_100000747449 [0,2,0,0,0,0|1,1,0]=4 8426 B13R1.528 COC(=O)CSc1cnccc1F 62a_100000747449_100009820683 [0,2,0,0,0,0|1,1,0]=4 8427 B13R1.528 COC(=O)CSc1cnccc1F 62a_100009820683_100000747449 [0,2,0,0,0,0|1,1,0]=4 8428 B13R1.528 COC(=O)CSc1cnccc1N 62a_100000047001_100000747449 [0,2,0,0,0,0|1,1,0]=4 8429 B13R1.528 COC(=O)CSc1cnccc1N 62a_100000747449_100000047001 [0,2,0,0,0,0|1,1,0]=4 8430 B13R1.528 COC(=O)CSc1ncccc1Br 62a_100000696092_100000747449 [0,2,0,0,0,0|1,1,0]=4 8431 B13R1.528 COC(=O)CSc1ncccc1Br 62a_100000747449_100000696092 [0,2,0,0,0,0|1,1,0]=4 8432 B13R1.528 COC(=O)CSc1ncccc1C 62a_100000747449_100000751373 [0,2,0,0,0,0|1,1,0]=4 8433 B13R1.528 COC(=O)CSc1ncccc1C 62a_100000751373_100000747449 [0,2,0,0,0,0|1,1,0]=4 8434 B13R1.528 COC(=O)CSc1ncccc1Cl 62a_100000747449_100011356963 [0,2,0,0,0,0|1,1,0]=4 8435 B13R1.528 COC(=O)CSc1ncccc1Cl 62a_100011356963_100000747449 [0,2,0,0,0,0|1,1,0]=4 8436 B13R1.528 COC(=O)CSc1ncccc1F 62a_100000685392_100000747449 [0,2,0,0,0,0|1,1,0]=4 8437 B13R1.528 COC(=O)CSc1ncccc1F 62a_100000747449_100000685392 [0,2,0,0,0,0|1,1,0]=4 8438 B13R1.528 COC(=O)CSc1ncccc1N 62a_100000688686_100000747449 [0,2,0,0,0,0|1,1,0]=4 8439 B13R1.528 COC(=O)CSc1ncccc1N 62a_100000747449_100000688686 [0,2,0,0,0,0|1,1,0]=4 8440 B13R1.528 COC(=O)CSc1ncccc1O 62a_100000034122_100000747449 [0,2,0,0,0,0|1,1,0]=4 8441 B13R1.528 COC(=O)CSc1ncccc1O 62a_100000747449_100000034122 [0,2,0,0,0,0|1,1,0]=4 8442 B13R1.528 COC(C)COc1ccccc1C 34a_200011217337_200000210301 [0,2,0,0,0,0|1,0,1]=4 8443 B13R1.528 COC(C)COc1ccccc1C 7a_200011217337_200000210301 [0,2,0,0,0,0|1,0,1]=4 8444 B13R1.528 C[C@@H](CO)COc1ccccc1Br 34a_100000181306_100000059175 [0,2,0,0,0,0|1,0,1]=4 8445 B13R1.528 C[C@@H](CO)COc1ccccc1Br 7a_100000181306_100000059175 [0,2,0,0,0,0|1,0,1]=4 8446 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 34a_100000210172_100000059175 [0,2,0,0,0,0|1,0,1]=4 8447 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 7a_100000210172_100000059175 [0,2,0,0,0,0|1,0,1]=4 8448 B13R1.528 C[C@@H](CO)COc1ccccc1F 34a_100000210171_100000059175 [0,2,0,0,0,0|1,0,1]=4 8449 B13R1.528 C[C@@H](CO)COc1ccccc1F 7a_100000210171_100000059175 [0,2,0,0,0,0|1,0,1]=4 8450 B13R1.528 C[C@@H](CO)COc1ccccc1I 34a_100000739446_100000059175 [0,2,0,0,0,0|1,0,1]=4 8451 B13R1.528 C[C@@H](CO)COc1ccccc1I 7a_100000739446_100000059175 [0,2,0,0,0,0|1,0,1]=4 8452 B13R1.528 C[C@@H](CO)COc1ccccc1N 34a_100000185747_100000059175 [0,2,0,0,0,0|1,0,1]=4 8453 B13R1.528 C[C@@H](CO)COc1ccccc1N 7a_100000185747_100000059175 [0,2,0,0,0,0|1,0,1]=4 8454 B13R1.528 Cc1ccccc1CCC(=O)CF 1458a_100000748742_100015361967 [0,2,0,0,0,0|2,0,0]=4 8455 B13R1.528 Cc1ccccc1CCC(=O)CO 1458a_100000210174_100011713688 [0,2,0,0,0,0|1,0,0]=3 8456 B13R1.528 Cc1ccccc1CNC(=O)CO 240690a_100000174972_100000210174 [0,2,0,0,0,0|2,0,0]=4 8457 B13R1.528 Cc1ccccc1CNC(=O)CO 527a_100000174972_100000210174 [0,2,0,0,0,0|2,0,0]=4 8458 B13R1.528 Cc1ccccc1NNC(=O)CO 22a_100000184220_100000210174 [0,2,0,0,0,0|2,0,0]=4 8459 B13R1.528 Cc1ccccc1OCC(=O)CF 1458a_100000182418_100015361967 [0,2,0,0,0,0|1,0,0]=3 8460 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 34a_200011217337_200025704644 [0,2,0,0,0,0|1,0,1]=4 8461 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 7a_200011217337_200025704644 [0,2,0,0,0,0|1,0,1]=4 8462 B13R1.528 Cc1ccccc1OCC(O)CO 34a_100000210338_100011219619 [0,2,0,0,0,0|0,0,2]=4 8463 B13R1.528 Cc1ccccc1OCC(O)CO 7a_100000210338_100011219619 [0,2,0,0,0,0|0,0,2]=4 8464 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 34a_100000210338_100000059175 [0,2,0,0,0,0|1,0,1]=4 8465 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 7a_100000210338_100000059175 [0,2,0,0,0,0|1,0,1]=4 8466 B13R1.528 Cc1ccccc1OC[C@@H](O)CF 34a_100000210338_100015614560 [0,2,0,0,0,0|1,0,1]=4 8467 B13R1.528 Cc1ccccc1OC[C@@H](O)CF 7a_100000210338_100015614560 [0,2,0,0,0,0|1,0,1]=4 8468 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 34a_100000210338_100009815848 [0,2,0,0,0,0|0,0,2]=4 8469 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 7a_100000210338_100009815848 [0,2,0,0,0,0|0,0,2]=4 8470 B13R1.528 Cc1ccccc1SCC(=O)CF 1458a_100000183026_100015361967 [0,2,0,0,0,0|1,1,0]=4 8471 B13R1.528 NNC(=O)COc1ccccc1O 271570a_203496583355_100025785231 [0,2,0,0,0,0|1,0,0]=3 8472 B13R1.528 Nc1ccccc1OCC(O)CO 34a_100000185747_100011219619 [0,2,0,0,0,0|0,0,2]=4 8473 B13R1.528 Nc1ccccc1OCC(O)CO 7a_100000185747_100011219619 [0,2,0,0,0,0|0,0,2]=4 8474 B13R1.528 Nc1ccccc1OC[C@@H](O)CF 34a_100000185747_100015614560 [0,2,0,0,0,0|1,0,1]=4 8475 B13R1.528 Nc1ccccc1OC[C@@H](O)CF 7a_100000185747_100015614560 [0,2,0,0,0,0|1,0,1]=4 8476 B13R1.528 Nc1ccccc1OC[C@@H](O)CO 34a_100000185747_100009815848 [0,2,0,0,0,0|0,0,2]=4 8477 B13R1.528 Nc1ccccc1OC[C@@H](O)CO 7a_100000185747_100009815848 [0,2,0,0,0,0|0,0,2]=4 8478 B13R1.528 O=C(CF)CCc1ccccc1Br 1458a_100000740810_100015361967 [0,2,0,0,0,0|2,0,0]=4 8479 B13R1.528 O=C(CF)CCc1ccccc1Cl 1458a_100000184300_100015361967 [0,2,0,0,0,0|2,0,0]=4 8480 B13R1.528 O=C(CF)CCc1ccccc1F 1458a_100000189703_100015361967 [0,2,0,0,0,0|2,0,0]=4 8481 B13R1.528 O=C(CF)CCc1ccccc1I 1458a_100000037306_100015361967 [0,2,0,0,0,0|2,0,0]=4 8482 B13R1.528 O=C(CF)CCc1ccccc1O 1458a_100000181328_100015361967 [0,2,0,0,0,0|2,0,0]=4 8483 B13R1.528 O=C(CF)COc1ccccc1Br 1458a_100000216496_100015361967 [0,2,0,0,0,0|1,0,0]=3 8484 B13R1.528 O=C(CF)COc1ccccc1Cl 1458a_100000185159_100015361967 [0,2,0,0,0,0|1,0,0]=3 8485 B13R1.528 O=C(CF)COc1ccccc1F 1458a_100000182486_100015361967 [0,2,0,0,0,0|1,0,0]=3 8486 B13R1.528 O=C(CF)COc1ccccc1O 1458a_100000183020_100015361967 [0,2,0,0,0,0|1,0,0]=3 8487 B13R1.528 O=C(CF)CSc1ccccc1F 1458a_100000179528_100015361967 [0,2,0,0,0,0|1,1,0]=4 8488 B13R1.528 O=C(CF)CSc1ccccc1O 1458a_100000695322_100015361967 [0,2,0,0,0,0|1,1,0]=4 8489 B13R1.528 O=C(CO)CCc1ccccc1Br 1458a_100000210174_100012161201 [0,2,0,0,0,0|1,0,0]=3 8490 B13R1.528 O=C(CO)CCc1ccccc1Cl 1458a_100000210174_100011713703 [0,2,0,0,0,0|1,0,0]=3 8491 B13R1.528 O=C(CO)CCc1ccccc1F 1458a_100000210174_100000720011 [0,2,0,0,0,0|1,0,0]=3 8492 B13R1.528 O=C(CO)CCc1ccccc1O 1458a_100000210174_100000722297 [0,2,0,0,0,0|1,0,0]=3 8493 B13R1.528 O=C(CO)NCc1ccccc1Br 240690a_100000689332_100000210174 [0,2,0,0,0,0|2,0,0]=4 8494 B13R1.528 O=C(CO)NCc1ccccc1Br 527a_100000689332_100000210174 [0,2,0,0,0,0|2,0,0]=4 8495 B13R1.528 O=C(CO)NCc1ccccc1Cl 240690a_100000174879_100000210174 [0,2,0,0,0,0|2,0,0]=4 8496 B13R1.528 O=C(CO)NCc1ccccc1Cl 527a_100000174879_100000210174 [0,2,0,0,0,0|2,0,0]=4 8497 B13R1.528 O=C(CO)NCc1ccccc1F 240690a_100000174869_100000210174 [0,2,0,0,0,0|2,0,0]=4 8498 B13R1.528 O=C(CO)NCc1ccccc1F 527a_100000174869_100000210174 [0,2,0,0,0,0|2,0,0]=4 8499 B13R1.528 O=C(CO)NCc1ccccc1I 240690a_100015347259_100000210174 [0,2,0,0,0,0|2,0,0]=4 8500 B13R1.528 O=C(CO)NCc1ccccc1I 527a_100015347259_100000210174 [0,2,0,0,0,0|2,0,0]=4 8501 B13R1.528 O=C(CO)NCc1ccccc1O 240690a_100000185550_100000210174 [0,2,0,0,0,0|2,0,0]=4 8502 B13R1.528 O=C(CO)NCc1ccccc1O 527a_100000185550_100000210174 [0,2,0,0,0,0|2,0,0]=4 8503 B13R1.528 O=C(CO)NNc1ccccc1Br 22a_100000241748_100000210174 [0,2,0,0,0,0|2,0,0]=4 8504 B13R1.528 O=C(CO)NNc1ccccc1Cl 22a_100000683529_100000210174 [0,2,0,0,0,0|2,0,0]=4 8505 B13R1.528 O=C(CO)NNc1ccccc1F 22a_100000239246_100000210174 [0,2,0,0,0,0|2,0,0]=4 8506 B13R1.528 O=C(CO)NNc1ccccc1I 22a_100011218156_100000210174 [0,2,0,0,0,0|2,0,0]=4 8507 B13R1.528 OCC(O)COc1ccccc1Br 34a_100000181306_100011219619 [0,2,0,0,0,0|0,0,2]=4 8508 B13R1.528 OCC(O)COc1ccccc1Br 7a_100000181306_100011219619 [0,2,0,0,0,0|0,0,2]=4 8509 B13R1.528 OCC(O)COc1ccccc1Cl 34a_100000210172_100011219619 [0,2,0,0,0,0|0,0,2]=4 8510 B13R1.528 OCC(O)COc1ccccc1Cl 7a_100000210172_100011219619 [0,2,0,0,0,0|0,0,2]=4 8511 B13R1.528 OCC(O)COc1ccccc1F 34a_100000210171_100011219619 [0,2,0,0,0,0|0,0,2]=4 8512 B13R1.528 OCC(O)COc1ccccc1F 7a_100000210171_100011219619 [0,2,0,0,0,0|0,0,2]=4 8513 B13R1.528 OCC(O)COc1ccccc1I 34a_100000739446_100011219619 [0,2,0,0,0,0|0,0,2]=4 8514 B13R1.528 OCC(O)COc1ccccc1I 7a_100000739446_100011219619 [0,2,0,0,0,0|0,0,2]=4 8515 B13R1.528 OC[C@H](O)COc1ccccc1Br 34a_100000181306_100009815848 [0,2,0,0,0,0|0,0,2]=4 8516 B13R1.528 OC[C@H](O)COc1ccccc1Br 7a_100000181306_100009815848 [0,2,0,0,0,0|0,0,2]=4 8517 B13R1.528 OC[C@H](O)COc1ccccc1Cl 34a_100000210172_100009815848 [0,2,0,0,0,0|0,0,2]=4 8518 B13R1.528 OC[C@H](O)COc1ccccc1Cl 7a_100000210172_100009815848 [0,2,0,0,0,0|0,0,2]=4 8519 B13R1.528 OC[C@H](O)COc1ccccc1F 34a_100000210171_100009815848 [0,2,0,0,0,0|0,0,2]=4 8520 B13R1.528 OC[C@H](O)COc1ccccc1F 7a_100000210171_100009815848 [0,2,0,0,0,0|0,0,2]=4 8521 B13R1.528 OC[C@H](O)COc1ccccc1I 34a_100000739446_100009815848 [0,2,0,0,0,0|0,0,2]=4 8522 B13R1.528 OC[C@H](O)COc1ccccc1I 7a_100000739446_100009815848 [0,2,0,0,0,0|0,0,2]=4 8523 B13R1.528 O[C@@H](CF)COc1ccccc1Br 34a_100000181306_100015614560 [0,2,0,0,0,0|1,0,1]=4 8524 B13R1.528 O[C@@H](CF)COc1ccccc1Br 7a_100000181306_100015614560 [0,2,0,0,0,0|1,0,1]=4 8525 B13R1.528 O[C@@H](CF)COc1ccccc1Cl 34a_100000210172_100015614560 [0,2,0,0,0,0|1,0,1]=4 8526 B13R1.528 O[C@@H](CF)COc1ccccc1Cl 7a_100000210172_100015614560 [0,2,0,0,0,0|1,0,1]=4 8527 B13R1.528 O[C@@H](CF)COc1ccccc1F 34a_100000210171_100015614560 [0,2,0,0,0,0|1,0,1]=4 8528 B13R1.528 O[C@@H](CF)COc1ccccc1F 7a_100000210171_100015614560 [0,2,0,0,0,0|1,0,1]=4 8529 B13R1.528 O[C@@H](CF)COc1ccccc1I 34a_100000739446_100015614560 [0,2,0,0,0,0|1,0,1]=4 8530 B13R1.528 O[C@@H](CF)COc1ccccc1I 7a_100000739446_100015614560 [0,2,0,0,0,0|1,0,1]=4 8531 B13R1.148 CC(=O)C(C)Nc1cccc(c1)C 2230a_100000188690_100009814033 [0,2,0,0,0,0|2,0,0]=4 8532 B13R1.148 CC(=O)C(C)Oc1ccc[n+](c1)[O-] 7a_100000039713_100000179758 [0,2,0,0,0,0|2,0,0]=4 8533 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 1458a_100000246016_200000210301 [0,2,0,0,0,0|1,0,0]=3 8534 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 7a_100000210342_100000179758 [0,2,0,0,0,0|1,0,0]=3 8535 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 1458a_100000183885_200000210301 [0,2,0,0,0,0|1,0,0]=3 8536 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 7a_100000210337_100000179758 [0,2,0,0,0,0|1,0,0]=3 8537 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 1458a_100000185161_200000210301 [0,2,0,0,0,0|1,0,0]=3 8538 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 7a_100000210295_100000179758 [0,2,0,0,0,0|1,0,0]=3 8539 B13R1.148 CC(=O)C(C)Oc1cccc(c1)F 7a_100000210426_100000179758 [0,2,0,0,0,0|1,0,0]=3 8540 B13R1.148 CC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100000179758 [0,2,0,0,0,0|1,0,0]=3 8541 B13R1.148 CC(=O)C(C)Oc1cncc(c1)Br 7a_100000754920_100000179758 [0,2,0,0,0,0|2,0,0]=4 8542 B13R1.148 CC(=O)C(C)Oc1cncc(c1)C 7a_100011830280_100000179758 [0,2,0,0,0,0|2,0,0]=4 8543 B13R1.148 CC(=O)C(C)Oc1cncc(c1)Cl 7a_100000032511_100000179758 [0,2,0,0,0,0|2,0,0]=4 8544 B13R1.148 CC(=O)C(C)Oc1cncc(c1)F 7a_100011830296_100000179758 [0,2,0,0,0,0|2,0,0]=4 8545 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Br 62a_100000691529_100009814033 [0,2,0,0,0,0|1,1,0]=4 8546 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Br 62a_100009814033_100000691529 [0,2,0,0,0,0|1,1,0]=4 8547 B13R1.148 CC(=O)C(C)Sc1cccc(c1)C 62a_100009814033_100011215228 [0,2,0,0,0,0|1,1,0]=4 8548 B13R1.148 CC(=O)C(C)Sc1cccc(c1)C 62a_100011215228_100009814033 [0,2,0,0,0,0|1,1,0]=4 8549 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Cl 62a_100000699651_100009814033 [0,2,0,0,0,0|1,1,0]=4 8550 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Cl 62a_100009814033_100000699651 [0,2,0,0,0,0|1,1,0]=4 8551 B13R1.148 CC(=O)C(C)Sc1cccc(c1)F 62a_100000685547_100009814033 [0,2,0,0,0,0|1,1,0]=4 8552 B13R1.148 CC(=O)C(C)Sc1cccc(c1)F 62a_100009814033_100000685547 [0,2,0,0,0,0|1,1,0]=4 8553 B13R1.148 CC(=O)C(C)Sc1cccc(c1)N 62a_100000210019_100009814033 [0,2,0,0,0,0|1,1,0]=4 8554 B13R1.148 CC(=O)C(C)Sc1cccc(c1)N 62a_100009814033_100000210019 [0,2,0,0,0,0|1,1,0]=4 8555 B13R1.148 CC(=O)C(C)Sc1cccc(c1)O 62a_100009814033_100000211634 [0,2,0,0,0,0|1,1,0]=4 8556 B13R1.148 CC(=O)C(C)Sc1cccc(c1)[S] 62a_100009814033_114929384022 [0,2,0,0,0,0|1,1,0]=4 8557 B13R1.148 CC(=O)C(C)Sc1cccc(c1)[S] 62a_114929384022_100009814033 [0,2,0,0,0,0|1,1,0]=4 8558 B13R1.148 CC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200000210301 [0,2,0,0,0,0|2,0,0]=4 8559 B13R1.148 CC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200000210301 [0,2,0,0,0,0|2,0,0]=4 8560 B13R1.148 CC(Nc1cccc(c1)Br)C(=O)N 34a_100000210019_100000702099 [0,2,0,0,0,0|2,0,0]=4 8561 B13R1.148 CC(Nc1cccc(c1)Cl)C(=O)N 34a_100000185859_100000702099 [0,2,0,0,0,0|2,0,0]=4 8562 B13R1.148 CC(Nc1cccc(c1)F)C(=O)N 34a_100000210047_100000702099 [0,2,0,0,0,0|2,0,0]=4 8563 B13R1.148 CC(Nc1cccc(c1)I)C(=O)N 34a_100000211102_100000702099 [0,2,0,0,0,0|2,0,0]=4 8564 B13R1.148 CC(Nc1cccc(c1)O)C(=O)N 34a_100000210217_100000702099 [0,2,0,0,0,0|2,0,0]=4 8565 B13R1.148 CC(Oc1cc[nH]c(=O)c1)C(=O)N 34a_100000032262_100000702099 [0,2,0,0,0,0|2,0,0]=4 8566 B13R1.148 CC(Oc1ccc[n+](c1)[O-])C(=O)N 34a_100000039713_100000702099 [0,2,0,0,0,0|2,0,0]=4 8567 B13R1.148 CC(Oc1ccc[n+](c1)[O-])C(=O)N 7a_100000039713_100000702099 [0,2,0,0,0,0|2,0,0]=4 8568 B13R1.148 CC(Oc1cccc(=O)[nH]1)C(=O)N 34a_100000033347_100000702099 [0,2,0,0,0,0|2,0,0]=4 8569 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)N 34a_100000210342_100000702099 [0,2,0,0,0,0|1,0,0]=3 8570 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)N 7a_100000210342_100000702099 [0,2,0,0,0,0|1,0,0]=3 8571 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)[13CH3] 1458a_100000246016_200025704644 [0,2,0,0,0,0|1,0,0]=3 8572 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)N 34a_100000210295_100000702099 [0,2,0,0,0,0|1,0,0]=3 8573 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)N 7a_100000210295_100000702099 [0,2,0,0,0,0|1,0,0]=3 8574 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)[13CH3] 1458a_100000185161_200025704644 [0,2,0,0,0,0|1,0,0]=3 8575 B13R1.148 CC(Oc1cccc(c1)F)C(=O)N 34a_100000210426_100000702099 [0,2,0,0,0,0|1,0,0]=3 8576 B13R1.148 CC(Oc1cccc(c1)F)C(=O)N 7a_100000210426_100000702099 [0,2,0,0,0,0|1,0,0]=3 8577 B13R1.148 CC(Oc1cccc(c1)I)C(=O)N 34a_100000211634_100000702099 [0,2,0,0,0,0|1,0,0]=3 8578 B13R1.148 CC(Oc1cccc(c1)I)C(=O)N 7a_100000211634_100000702099 [0,2,0,0,0,0|1,0,0]=3 8579 B13R1.148 CC(Oc1cccc(c1)N)C(=O)N 34a_100000210217_100000702099 [0,2,0,0,0,0|1,0,0]=3 8580 B13R1.148 CC(Oc1cccc(c1)O)C(=O)N 271570a_203496583355_200000150601 [0,2,0,0,0,0|1,0,0]=3 8581 B13R1.148 CC(Oc1cccc(n1)F)C(=O)N 34a_100011432558_100000702099 [0,2,0,0,0,0|2,0,0]=4 8582 B13R1.148 CC(Oc1ccnc(c1)Cl)C(=O)N 34a_100000762945_100000702099 [0,2,0,0,0,0|2,0,0]=4 8583 B13R1.148 CC(Oc1ccnc(c1)F)C(=O)N 34a_100000732698_100000702099 [0,2,0,0,0,0|2,0,0]=4 8584 B13R1.148 CC(Oc1ccnc(c1)N)C(=O)N 34a_100011834064_100000702099 [0,2,0,0,0,0|2,0,0]=4 8585 B13R1.148 CC(Oc1cncc(c1)Br)C(=O)N 34a_100000754920_100000702099 [0,2,0,0,0,0|2,0,0]=4 8586 B13R1.148 CC(Oc1cncc(c1)Br)C(=O)N 7a_100000754920_100000702099 [0,2,0,0,0,0|2,0,0]=4 8587 B13R1.148 CC(Oc1cncc(c1)Cl)C(=O)N 7a_100000032511_100000702099 [0,2,0,0,0,0|2,0,0]=4 8588 B13R1.148 CC(Oc1cncc(c1)F)C(=O)N 34a_100011830296_100000702099 [0,2,0,0,0,0|2,0,0]=4 8589 B13R1.148 CC(Oc1cncc(c1)F)C(=O)N 7a_100011830296_100000702099 [0,2,0,0,0,0|2,0,0]=4 8590 B13R1.148 CC(Oc1cncc(c1)N)C(=O)N 34a_100011997051_100000702099 [0,2,0,0,0,0|2,0,0]=4 8591 B13R1.148 CC(Sc1cccc(c1)Br)C(=O)N 62a_100000691529_100000702099 [0,2,0,0,0,0|1,1,0]=4 8592 B13R1.148 CC(Sc1cccc(c1)Br)C(=O)N 62a_100000702099_100000691529 [0,2,0,0,0,0|1,1,0]=4 8593 B13R1.148 CC(Sc1cccc(c1)Cl)C(=O)N 62a_100000699651_100000702099 [0,2,0,0,0,0|1,1,0]=4 8594 B13R1.148 CC(Sc1cccc(c1)Cl)C(=O)N 62a_100000702099_100000699651 [0,2,0,0,0,0|1,1,0]=4 8595 B13R1.148 CC(Sc1cccc(c1)F)C(=O)N 62a_100000685547_100000702099 [0,2,0,0,0,0|1,1,0]=4 8596 B13R1.148 CC(Sc1cccc(c1)F)C(=O)N 62a_100000702099_100000685547 [0,2,0,0,0,0|1,1,0]=4 8597 B13R1.148 CC(Sc1cccc(c1)N)C(=O)N 62a_100000210019_100000702099 [0,2,0,0,0,0|1,1,0]=4 8598 B13R1.148 CC(Sc1cccc(c1)N)C(=O)N 62a_100000702099_100000210019 [0,2,0,0,0,0|1,1,0]=4 8599 B13R1.148 CC(Sc1cccc(c1)O)C(=O)N 62a_100000702099_100000211634 [0,2,0,0,0,0|1,1,0]=4 8600 B13R1.148 CC(Sc1cccc(c1)[S])C(=O)N 62a_100000702099_114929384022 [0,2,0,0,0,0|1,1,0]=4 8601 B13R1.148 CC(Sc1cccc(c1)[S])C(=O)N 62a_114929384022_100000702099 [0,2,0,0,0,0|1,1,0]=4 8602 B13R1.148 Cc1cc(ccn1)OC(C)C(=O)N 34a_100000688365_100000702099 [0,2,0,0,0,0|2,0,0]=4 8603 B13R1.148 Cc1cc(ccn1)OC(F)C(=O)N 34a_100000688365_100009813875 [0,2,0,0,0,0|2,0,0]=4 8604 B13R1.148 Cc1cc(ccn1)OC(F)C(=O)[O-] 34a_100000688365_100020610796 [0,2,0,0,0,0|1,0,1]=4 8605 B13R1.148 Cc1cccc(c1)NC(C)C(=O)N 2230a_100000188690_100000702099 [0,2,0,0,0,0|2,0,0]=4 8606 B13R1.148 Cc1cccc(c1)NC(C)C(=O)N 34a_100000188690_100000702099 [0,2,0,0,0,0|2,0,0]=4 8607 B13R1.148 Cc1cccc(c1)NC(F)C(=O)N 2230a_100000188690_100009813875 [0,2,0,0,0,0|2,0,0]=4 8608 B13R1.148 Cc1cccc(c1)NC(F)C(=O)N 34a_100000188690_100009813875 [0,2,0,0,0,0|2,0,0]=4 8609 B13R1.148 Cc1cccc(c1)NC(F)C(=O)[O-] 34a_100000188690_100020610796 [0,2,0,0,0,0|1,0,1]=4 8610 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 34a_100000210337_100000702099 [0,2,0,0,0,0|1,0,0]=3 8611 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 7a_100000210337_100000702099 [0,2,0,0,0,0|1,0,0]=3 8612 B13R1.148 Cc1cccc(c1)OC(C)C(=O)[13CH3] 1458a_100000183885_200025704644 [0,2,0,0,0,0|1,0,0]=3 8613 B13R1.148 Cc1cccc(c1)OC(F)C(=O)N 34a_100000210337_100009813875 [0,2,0,0,0,0|1,0,0]=3 8614 B13R1.148 Cc1cccc(c1)OC(F)C(=O)N 7a_100000210337_100009813875 [0,2,0,0,0,0|1,0,0]=3 8615 B13R1.148 Cc1cccc(c1)OC(F)C(=O)[O-] 34a_100000210337_100020610796 [0,2,0,0,0,0|0,0,1]=3 8616 B13R1.148 Cc1cccc(c1)SC(C)C(=O)N 62a_100000702099_100011215228 [0,2,0,0,0,0|1,1,0]=4 8617 B13R1.148 Cc1cccc(c1)SC(C)C(=O)N 62a_100011215228_100000702099 [0,2,0,0,0,0|1,1,0]=4 8618 B13R1.148 Cc1cccc(c1)SC(F)C(=O)N 62a_100009813875_100011215228 [0,2,0,0,0,0|1,1,0]=4 8619 B13R1.148 Cc1cccc(c1)SC(F)C(=O)N 62a_100011215228_100009813875 [0,2,0,0,0,0|1,1,0]=4 8620 B13R1.148 Cc1cccc(c1)SC(F)C(=O)[O-] 62a_100011215228_100020610796 [0,2,0,0,0,0|0,1,1]=4 8621 B13R1.148 Cc1cccc(c1)SC(F)C(=O)[O-] 62a_100020610796_100011215228 [0,2,0,0,0,0|0,1,1]=4 8622 B13R1.148 Cc1cncc(c1)OC(C)C(=O)N 34a_100011830280_100000702099 [0,2,0,0,0,0|2,0,0]=4 8623 B13R1.148 Cc1cncc(c1)OC(C)C(=O)N 7a_100011830280_100000702099 [0,2,0,0,0,0|2,0,0]=4 8624 B13R1.148 Cc1cncc(c1)OC(F)C(=O)N 34a_100011830280_100009813875 [0,2,0,0,0,0|2,0,0]=4 8625 B13R1.148 Cc1cncc(c1)OC(F)C(=O)N 7a_100011830280_100009813875 [0,2,0,0,0,0|2,0,0]=4 8626 B13R1.148 Cc1cncc(c1)OC(F)C(=O)[O-] 34a_100011830280_100020610796 [0,2,0,0,0,0|1,0,1]=4 8627 B13R1.148 NC(=O)C(F)Nc1cccc(c1)Br 34a_100000210019_100009813875 [0,2,0,0,0,0|2,0,0]=4 8628 B13R1.148 NC(=O)C(F)Nc1cccc(c1)Cl 34a_100000185859_100009813875 [0,2,0,0,0,0|2,0,0]=4 8629 B13R1.148 NC(=O)C(F)Nc1cccc(c1)F 34a_100000210047_100009813875 [0,2,0,0,0,0|2,0,0]=4 8630 B13R1.148 NC(=O)C(F)Nc1cccc(c1)I 34a_100000211102_100009813875 [0,2,0,0,0,0|2,0,0]=4 8631 B13R1.148 NC(=O)C(F)Nc1cccc(c1)O 34a_100000210217_100009813875 [0,2,0,0,0,0|2,0,0]=4 8632 B13R1.148 NC(=O)C(F)Oc1cc[nH]c(=O)c1 34a_100000032262_100009813875 [0,2,0,0,0,0|2,0,0]=4 8633 B13R1.148 NC(=O)C(F)Oc1ccc[n+](c1)[O-] 34a_100000039713_100009813875 [0,2,0,0,0,0|2,0,0]=4 8634 B13R1.148 NC(=O)C(F)Oc1ccc[n+](c1)[O-] 7a_100000039713_100009813875 [0,2,0,0,0,0|2,0,0]=4 8635 B13R1.148 NC(=O)C(F)Oc1cccc(=O)[nH]1 34a_100000033347_100009813875 [0,2,0,0,0,0|2,0,0]=4 8636 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Br 34a_100000210342_100009813875 [0,2,0,0,0,0|1,0,0]=3 8637 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Br 7a_100000210342_100009813875 [0,2,0,0,0,0|1,0,0]=3 8638 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Cl 34a_100000210295_100009813875 [0,2,0,0,0,0|1,0,0]=3 8639 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Cl 7a_100000210295_100009813875 [0,2,0,0,0,0|1,0,0]=3 8640 B13R1.148 NC(=O)C(F)Oc1cccc(c1)F 34a_100000210426_100009813875 [0,2,0,0,0,0|1,0,0]=3 8641 B13R1.148 NC(=O)C(F)Oc1cccc(c1)F 7a_100000210426_100009813875 [0,2,0,0,0,0|1,0,0]=3 8642 B13R1.148 NC(=O)C(F)Oc1cccc(c1)I 34a_100000211634_100009813875 [0,2,0,0,0,0|1,0,0]=3 8643 B13R1.148 NC(=O)C(F)Oc1cccc(c1)I 7a_100000211634_100009813875 [0,2,0,0,0,0|1,0,0]=3 8644 B13R1.148 NC(=O)C(F)Oc1cccc(c1)N 34a_100000210217_100009813875 [0,2,0,0,0,0|1,0,0]=3 8645 B13R1.148 NC(=O)C(F)Oc1cccc(n1)F 34a_100011432558_100009813875 [0,2,0,0,0,0|2,0,0]=4 8646 B13R1.148 NC(=O)C(F)Oc1ccnc(c1)Cl 34a_100000762945_100009813875 [0,2,0,0,0,0|2,0,0]=4 8647 B13R1.148 NC(=O)C(F)Oc1ccnc(c1)F 34a_100000732698_100009813875 [0,2,0,0,0,0|2,0,0]=4 8648 B13R1.148 NC(=O)C(F)Oc1ccnc(c1)N 34a_100011834064_100009813875 [0,2,0,0,0,0|2,0,0]=4 8649 B13R1.148 NC(=O)C(F)Oc1cncc(c1)Br 34a_100000754920_100009813875 [0,2,0,0,0,0|2,0,0]=4 8650 B13R1.148 NC(=O)C(F)Oc1cncc(c1)Br 7a_100000754920_100009813875 [0,2,0,0,0,0|2,0,0]=4 8651 B13R1.148 NC(=O)C(F)Oc1cncc(c1)Cl 7a_100000032511_100009813875 [0,2,0,0,0,0|2,0,0]=4 8652 B13R1.148 NC(=O)C(F)Oc1cncc(c1)F 34a_100011830296_100009813875 [0,2,0,0,0,0|2,0,0]=4 8653 B13R1.148 NC(=O)C(F)Oc1cncc(c1)F 7a_100011830296_100009813875 [0,2,0,0,0,0|2,0,0]=4 8654 B13R1.148 NC(=O)C(F)Oc1cncc(c1)N 34a_100011997051_100009813875 [0,2,0,0,0,0|2,0,0]=4 8655 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Br 62a_100000691529_100009813875 [0,2,0,0,0,0|1,1,0]=4 8656 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Br 62a_100009813875_100000691529 [0,2,0,0,0,0|1,1,0]=4 8657 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Cl 62a_100000699651_100009813875 [0,2,0,0,0,0|1,1,0]=4 8658 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Cl 62a_100009813875_100000699651 [0,2,0,0,0,0|1,1,0]=4 8659 B13R1.148 NC(=O)C(F)Sc1cccc(c1)F 62a_100000685547_100009813875 [0,2,0,0,0,0|1,1,0]=4 8660 B13R1.148 NC(=O)C(F)Sc1cccc(c1)F 62a_100009813875_100000685547 [0,2,0,0,0,0|1,1,0]=4 8661 B13R1.148 NC(=O)C(F)Sc1cccc(c1)N 62a_100000210019_100009813875 [0,2,0,0,0,0|1,1,0]=4 8662 B13R1.148 NC(=O)C(F)Sc1cccc(c1)N 62a_100009813875_100000210019 [0,2,0,0,0,0|1,1,0]=4 8663 B13R1.148 NC(=O)C(F)Sc1cccc(c1)O 62a_100009813875_100000211634 [0,2,0,0,0,0|1,1,0]=4 8664 B13R1.148 NC(=O)C(F)Sc1cccc(c1)[S] 62a_100009813875_114929384022 [0,2,0,0,0,0|1,1,0]=4 8665 B13R1.148 NC(=O)C(F)Sc1cccc(c1)[S] 62a_114929384022_100009813875 [0,2,0,0,0,0|1,1,0]=4 8666 B13R1.148 Nc1cc(ccn1)OC(F)C(=O)[O-] 34a_100011834064_100020610796 [0,2,0,0,0,0|1,0,1]=4 8667 B13R1.148 Nc1cccc(c1)OC(F)C(=O)[O-] 34a_100000210217_100020610796 [0,2,0,0,0,0|0,0,1]=3 8668 B13R1.148 Nc1cccc(c1)SC(F)C(=O)[O-] 62a_100000210019_100020610796 [0,2,0,0,0,0|0,1,1]=4 8669 B13R1.148 Nc1cccc(c1)SC(F)C(=O)[O-] 62a_100020610796_100000210019 [0,2,0,0,0,0|0,1,1]=4 8670 B13R1.148 Nc1cncc(c1)OC(F)C(=O)[O-] 34a_100011997051_100020610796 [0,2,0,0,0,0|1,0,1]=4 8671 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)Br 34a_100000210019_100020610796 [0,2,0,0,0,0|1,0,1]=4 8672 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)Cl 34a_100000185859_100020610796 [0,2,0,0,0,0|1,0,1]=4 8673 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)F 34a_100000210047_100020610796 [0,2,0,0,0,0|1,0,1]=4 8674 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)I 34a_100000211102_100020610796 [0,2,0,0,0,0|1,0,1]=4 8675 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)O 34a_100000210217_100020610796 [0,2,0,0,0,0|1,0,1]=4 8676 B13R1.148 O=C([O-])C(F)Oc1cc[nH]c(=O)c1 34a_100000032262_100020610796 [0,2,0,0,0,0|1,0,1]=4 8677 B13R1.148 O=C([O-])C(F)Oc1ccc[n+](c1)[O-] 34a_100000039713_100020610796 [0,2,0,0,0,0|1,0,1]=4 8678 B13R1.148 O=C([O-])C(F)Oc1cccc(=O)[nH]1 34a_100000033347_100020610796 [0,2,0,0,0,0|1,0,1]=4 8679 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)Br 34a_100000210342_100020610796 [0,2,0,0,0,0|0,0,1]=3 8680 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)Cl 34a_100000210295_100020610796 [0,2,0,0,0,0|0,0,1]=3 8681 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)F 34a_100000210426_100020610796 [0,2,0,0,0,0|0,0,1]=3 8682 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)I 34a_100000211634_100020610796 [0,2,0,0,0,0|0,0,1]=3 8683 B13R1.148 O=C([O-])C(F)Oc1cccc(n1)F 34a_100011432558_100020610796 [0,2,0,0,0,0|1,0,1]=4 8684 B13R1.148 O=C([O-])C(F)Oc1ccnc(c1)Cl 34a_100000762945_100020610796 [0,2,0,0,0,0|1,0,1]=4 8685 B13R1.148 O=C([O-])C(F)Oc1ccnc(c1)F 34a_100000732698_100020610796 [0,2,0,0,0,0|1,0,1]=4 8686 B13R1.148 O=C([O-])C(F)Oc1cncc(c1)Br 34a_100000754920_100020610796 [0,2,0,0,0,0|1,0,1]=4 8687 B13R1.148 O=C([O-])C(F)Oc1cncc(c1)F 34a_100011830296_100020610796 [0,2,0,0,0,0|1,0,1]=4 8688 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Br 62a_100000691529_100020610796 [0,2,0,0,0,0|0,1,1]=4 8689 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Br 62a_100020610796_100000691529 [0,2,0,0,0,0|0,1,1]=4 8690 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Cl 62a_100000699651_100020610796 [0,2,0,0,0,0|0,1,1]=4 8691 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Cl 62a_100020610796_100000699651 [0,2,0,0,0,0|0,1,1]=4 8692 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)F 62a_100000685547_100020610796 [0,2,0,0,0,0|0,1,1]=4 8693 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)F 62a_100020610796_100000685547 [0,2,0,0,0,0|0,1,1]=4 8694 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)O 62a_100020610796_100000211634 [0,2,0,0,0,0|0,1,1]=4 8695 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)[S] 62a_100020610796_114929384022 [0,2,0,0,0,0|0,1,1]=4 8696 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)[S] 62a_114929384022_100020610796 [0,2,0,0,0,0|0,1,1]=4 8697 B13R1.148 [13CH3]C(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200025704644 [0,2,0,0,0,0|2,0,0]=4 8698 B13R1.148 [13CH3]C(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200025704644 [0,2,0,0,0,0|2,0,0]=4 8699 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000070787_100000239700 [0,2,0,0,0,0|2,0,0]=4 8700 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000179758 [0,2,0,0,0,0|2,0,0]=4 8701 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100009814033 [0,2,0,0,0,0|2,0,0]=4 8702 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100009814033 [0,2,0,0,0,0|2,0,0]=4 8703 B13R1.152 CC(C(=O)N)C(=O)c1ccccc1 1458a_100000185807_100000702099 [0,2,0,0,0,0|2,0,0]=4 8704 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 2230a_100000210012_100000702099 [0,2,0,0,0,0|2,0,0]=4 8705 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 269982a_100000210012_100000184083 [0,2,0,0,0,0|2,0,0]=4 8706 B13R1.152 CC(C(=O)N)N(C)c1ccccc1 34a_100000210012_100000702099 [0,2,0,0,0,0|2,0,0]=4 8707 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 269956a_100000189636_200000210301 [0,2,0,0,0,0|1,0,0]=3 8708 B13R1.152 CC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000189636_200025704644 [0,2,0,0,0,0|1,0,0]=3 8709 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 2230a_100000210012_100009813875 [0,2,0,0,0,0|2,0,0]=4 8710 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 269982a_100000210012_100009813875 [0,2,0,0,0,0|2,0,0]=4 8711 B13R1.152 CN(c1ccccc1)C(F)C(=O)N 34a_100000210012_100009813875 [0,2,0,0,0,0|2,0,0]=4 8712 B13R1.152 CN(c1ccccc1)C(F)C(=O)[O-] 34a_100000210012_100020610796 [0,2,0,0,0,0|1,0,1]=4 8713 B13R1.152 NC(=O)C(F)C(=O)c1ccccc1 1458a_100000185807_100009813875 [0,2,0,0,0,0|2,0,0]=4 8714 B13R1.152 O=C([O-])C(F)C(=O)c1ccccc1 1458a_100000185807_100020610796 [0,2,0,0,0,0|1,0,1]=4 8715 B13R1.202 CC(=O)C(C)Oc1cccc[n+]1[O-] 7a_100000211761_100000179758 [0,2,0,0,0,0|2,0,0]=4 8716 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 1458a_100000246065_200000210301 [0,2,0,0,0,0|1,0,0]=3 8717 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 7a_100000181306_100000179758 [0,2,0,0,0,0|1,0,0]=3 8718 B13R1.202 CC(=O)C(C)Oc1ccccc1C 1458a_100000189243_200000210301 [0,2,0,0,0,0|1,0,0]=3 8719 B13R1.202 CC(=O)C(C)Oc1ccccc1C 7a_100000210338_100000179758 [0,2,0,0,0,0|1,0,0]=3 8720 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 1458a_100000191201_200000210301 [0,2,0,0,0,0|1,0,0]=3 8721 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100000179758 [0,2,0,0,0,0|1,0,0]=3 8722 B13R1.202 CC(=O)C(C)Oc1ccccc1F 1458a_100000191191_200000210301 [0,2,0,0,0,0|1,0,0]=3 8723 B13R1.202 CC(=O)C(C)Oc1ccccc1F 7a_100000210171_100000179758 [0,2,0,0,0,0|1,0,0]=3 8724 B13R1.202 CC(=O)C(C)Oc1ccccc1I 7a_100000739446_100000179758 [0,2,0,0,0,0|1,0,0]=3 8725 B13R1.202 CC(=O)C(C)Oc1ccccc1N 7a_100000185747_100000179758 [0,2,0,0,0,0|1,0,0]=3 8726 B13R1.202 CC(=O)C(C)Oc1cccnc1Br 7a_100000744436_100000179758 [0,2,0,0,0,0|2,0,0]=4 8727 B13R1.202 CC(=O)C(C)Oc1cccnc1C 7a_100000745507_100000179758 [0,2,0,0,0,0|2,0,0]=4 8728 B13R1.202 CC(=O)C(C)Oc1cccnc1Cl 7a_100000757616_100000179758 [0,2,0,0,0,0|2,0,0]=4 8729 B13R1.202 CC(=O)C(C)Oc1cccnc1F 7a_100000061740_100000179758 [0,2,0,0,0,0|2,0,0]=4 8730 B13R1.202 CC(=O)C(C)Oc1cccnc1I 7a_100000034122_100000179758 [0,2,0,0,0,0|2,0,0]=4 8731 B13R1.202 CC(=O)C(C)Oc1cccnc1N 7a_100000211975_100000179758 [0,2,0,0,0,0|2,0,0]=4 8732 B13R1.202 CC(=O)C(C)Oc1cccoc1=O 7a_100000077404_100000179758 [0,2,0,0,0,0|2,0,0]=4 8733 B13R1.202 CC(=O)C(C)Oc1cnccc1C 7a_100011997053_100000179758 [0,2,0,0,0,0|2,0,0]=4 8734 B13R1.202 CC(=O)C(C)Sc1ccccc1Br 62a_100000695589_100009814033 [0,2,0,0,0,0|1,1,0]=4 8735 B13R1.202 CC(=O)C(C)Sc1ccccc1Br 62a_100009814033_100000695589 [0,2,0,0,0,0|1,1,0]=4 8736 B13R1.202 CC(=O)C(C)Sc1ccccc1C 62a_100000210755_100009814033 [0,2,0,0,0,0|1,1,0]=4 8737 B13R1.202 CC(=O)C(C)Sc1ccccc1C 62a_100009814033_100000210755 [0,2,0,0,0,0|1,1,0]=4 8738 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 1458a_100000181065_200000210301 [0,2,0,0,0,0|1,1,0]=4 8739 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 62a_100000764095_100009814033 [0,2,0,0,0,0|1,1,0]=4 8740 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 62a_100009814033_100000764095 [0,2,0,0,0,0|1,1,0]=4 8741 B13R1.202 CC(=O)C(C)Sc1ccccc1F 62a_100009814033_100011215700 [0,2,0,0,0,0|1,1,0]=4 8742 B13R1.202 CC(=O)C(C)Sc1ccccc1F 62a_100011215700_100009814033 [0,2,0,0,0,0|1,1,0]=4 8743 B13R1.202 CC(=O)C(C)Sc1ccccc1N 62a_100000210017_100009814033 [0,2,0,0,0,0|1,1,0]=4 8744 B13R1.202 CC(=O)C(C)Sc1ccccc1N 62a_100009814033_100000210017 [0,2,0,0,0,0|1,1,0]=4 8745 B13R1.202 CC(=O)C(C)Sc1ccccc1O 62a_100000739446_100009814033 [0,2,0,0,0,0|1,1,0]=4 8746 B13R1.202 CC(=O)C(C)Sc1ccccc1O 62a_100009814033_100000739446 [0,2,0,0,0,0|1,1,0]=4 8747 B13R1.202 CC(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200000210301 [0,2,0,0,0,0|2,0,0]=4 8748 B13R1.202 CC(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200000210301 [0,2,0,0,0,0|2,0,0]=4 8749 B13R1.202 CC(Nc1ccccc1Br)C(=O)N 34a_100000210017_100000702099 [0,2,0,0,0,0|2,0,0]=4 8750 B13R1.202 CC(Nc1ccccc1Cl)C(=O)N 34a_100000185783_100000702099 [0,2,0,0,0,0|2,0,0]=4 8751 B13R1.202 CC(Nc1ccccc1F)C(=O)N 34a_100000210422_100000702099 [0,2,0,0,0,0|2,0,0]=4 8752 B13R1.202 CC(Nc1ccccc1I)C(=O)N 34a_100000210053_100000702099 [0,2,0,0,0,0|2,0,0]=4 8753 B13R1.202 CC(Nc1ccccc1O)C(=O)N 34a_100000185747_100000702099 [0,2,0,0,0,0|2,0,0]=4 8754 B13R1.202 CC(Oc1cccc[n+]1[O-])C(=O)N 7a_100000211761_100000702099 [0,2,0,0,0,0|2,0,0]=4 8755 B13R1.202 CC(Oc1ccccc1Br)C(=O)N 34a_100000181306_100000702099 [0,2,0,0,0,0|1,0,0]=3 8756 B13R1.202 CC(Oc1ccccc1Br)C(=O)N 7a_100000181306_100000702099 [0,2,0,0,0,0|1,0,0]=3 8757 B13R1.202 CC(Oc1ccccc1Br)C(=O)[13CH3] 1458a_100000246065_200025704644 [0,2,0,0,0,0|1,0,0]=3 8758 B13R1.202 CC(Oc1ccccc1Cl)C(=O)N 34a_100000210172_100000702099 [0,2,0,0,0,0|1,0,0]=3 8759 B13R1.202 CC(Oc1ccccc1Cl)C(=O)N 7a_100000210172_100000702099 [0,2,0,0,0,0|1,0,0]=3 8760 B13R1.202 CC(Oc1ccccc1Cl)C(=O)[13CH3] 1458a_100000191201_200025704644 [0,2,0,0,0,0|1,0,0]=3 8761 B13R1.202 CC(Oc1ccccc1F)C(=O)N 34a_100000210171_100000702099 [0,2,0,0,0,0|1,0,0]=3 8762 B13R1.202 CC(Oc1ccccc1F)C(=O)N 7a_100000210171_100000702099 [0,2,0,0,0,0|1,0,0]=3 8763 B13R1.202 CC(Oc1ccccc1F)C(=O)[13CH3] 1458a_100000191191_200025704644 [0,2,0,0,0,0|1,0,0]=3 8764 B13R1.202 CC(Oc1ccccc1I)C(=O)N 34a_100000739446_100000702099 [0,2,0,0,0,0|1,0,0]=3 8765 B13R1.202 CC(Oc1ccccc1I)C(=O)N 7a_100000739446_100000702099 [0,2,0,0,0,0|1,0,0]=3 8766 B13R1.202 CC(Oc1ccccc1N)C(=O)N 34a_100000185747_100000702099 [0,2,0,0,0,0|1,0,0]=3 8767 B13R1.202 CC(Oc1ccccc1N)C(=O)N 7a_100000185747_100000702099 [0,2,0,0,0,0|1,0,0]=3 8768 B13R1.202 CC(Oc1ccccc1O)C(=O)N 271570a_203496583355_100000148488 [0,2,0,0,0,0|1,0,0]=3 8769 B13R1.202 CC(Oc1cccnc1Br)C(=O)N 34a_100000744436_100000702099 [0,2,0,0,0,0|2,0,0]=4 8770 B13R1.202 CC(Oc1cccnc1Br)C(=O)N 7a_100000744436_100000702099 [0,2,0,0,0,0|2,0,0]=4 8771 B13R1.202 CC(Oc1cccnc1Cl)C(=O)N 34a_100000757616_100000702099 [0,2,0,0,0,0|2,0,0]=4 8772 B13R1.202 CC(Oc1cccnc1Cl)C(=O)N 7a_100000757616_100000702099 [0,2,0,0,0,0|2,0,0]=4 8773 B13R1.202 CC(Oc1cccnc1F)C(=O)N 34a_100000061740_100000702099 [0,2,0,0,0,0|2,0,0]=4 8774 B13R1.202 CC(Oc1cccnc1F)C(=O)N 7a_100000061740_100000702099 [0,2,0,0,0,0|2,0,0]=4 8775 B13R1.202 CC(Oc1cccnc1I)C(=O)N 34a_100000034122_100000702099 [0,2,0,0,0,0|2,0,0]=4 8776 B13R1.202 CC(Oc1cccnc1I)C(=O)N 7a_100000034122_100000702099 [0,2,0,0,0,0|2,0,0]=4 8777 B13R1.202 CC(Oc1cccnc1N)C(=O)N 34a_100000211975_100000702099 [0,2,0,0,0,0|2,0,0]=4 8778 B13R1.202 CC(Oc1cccnc1N)C(=O)N 7a_100000211975_100000702099 [0,2,0,0,0,0|2,0,0]=4 8779 B13R1.202 CC(Oc1cccoc1=O)C(=O)N 34a_100000077404_100000702099 [0,2,0,0,0,0|2,0,0]=4 8780 B13R1.202 CC(Oc1cccoc1=O)C(=O)N 7a_100000077404_100000702099 [0,2,0,0,0,0|2,0,0]=4 8781 B13R1.202 CC(Oc1ccncc1Br)C(=O)N 34a_100011996408_100000702099 [0,2,0,0,0,0|2,0,0]=4 8782 B13R1.202 CC(Oc1ccncc1Cl)C(=O)N 34a_100011997054_100000702099 [0,2,0,0,0,0|2,0,0]=4 8783 B13R1.202 CC(Oc1ccncc1F)C(=O)N 34a_200000081243_100000702099 [0,2,0,0,0,0|2,0,0]=4 8784 B13R1.202 CC(Oc1cnccc1Cl)C(=O)N 34a_100011996695_100000702099 [0,2,0,0,0,0|2,0,0]=4 8785 B13R1.202 CC(Oc1cnccc1I)C(=O)N 34a_100000050107_100000702099 [0,2,0,0,0,0|2,0,0]=4 8786 B13R1.202 CC(Oc1cnccc1N)C(=O)N 34a_100000753702_100000702099 [0,2,0,0,0,0|2,0,0]=4 8787 B13R1.202 CC(Oc1coccc1=O)C(=O)N 34a_100000060831_100000702099 [0,2,0,0,0,0|2,0,0]=4 8788 B13R1.202 CC(Oc1ncccc1Cl)C(=O)N 34a_100011290957_100000702099 [0,2,0,0,0,0|2,0,0]=4 8789 B13R1.202 CC(Oc1ncccc1F)C(=O)N 34a_100011219419_100000702099 [0,2,0,0,0,0|2,0,0]=4 8790 B13R1.202 CC(Oc1ncccc1N)C(=O)N 34a_100000746358_100000702099 [0,2,0,0,0,0|2,0,0]=4 8791 B13R1.202 CC(Sc1ccccc1Br)C(=O)N 62a_100000695589_100000702099 [0,2,0,0,0,0|1,1,0]=4 8792 B13R1.202 CC(Sc1ccccc1Br)C(=O)N 62a_100000702099_100000695589 [0,2,0,0,0,0|1,1,0]=4 8793 B13R1.202 CC(Sc1ccccc1Cl)C(=O)N 62a_100000702099_100000764095 [0,2,0,0,0,0|1,1,0]=4 8794 B13R1.202 CC(Sc1ccccc1Cl)C(=O)N 62a_100000764095_100000702099 [0,2,0,0,0,0|1,1,0]=4 8795 B13R1.202 CC(Sc1ccccc1Cl)C(=O)[13CH3] 1458a_100000181065_200025704644 [0,2,0,0,0,0|1,1,0]=4 8796 B13R1.202 CC(Sc1ccccc1F)C(=O)N 62a_100000702099_100011215700 [0,2,0,0,0,0|1,1,0]=4 8797 B13R1.202 CC(Sc1ccccc1F)C(=O)N 62a_100011215700_100000702099 [0,2,0,0,0,0|1,1,0]=4 8798 B13R1.202 CC(Sc1ccccc1N)C(=O)N 62a_100000210017_100000702099 [0,2,0,0,0,0|1,1,0]=4 8799 B13R1.202 CC(Sc1ccccc1N)C(=O)N 62a_100000702099_100000210017 [0,2,0,0,0,0|1,1,0]=4 8800 B13R1.202 CC(Sc1ccccc1O)C(=O)N 62a_100000702099_100000739446 [0,2,0,0,0,0|1,1,0]=4 8801 B13R1.202 CC(Sc1ccccc1O)C(=O)N 62a_100000739446_100000702099 [0,2,0,0,0,0|1,1,0]=4 8802 B13R1.202 Cc1ccccc1NC(C)C(=O)N 34a_100015192222_100000702099 [0,2,0,0,0,0|2,0,0]=4 8803 B13R1.202 Cc1ccccc1NC(F)C(=O)N 34a_100015192222_100009813875 [0,2,0,0,0,0|2,0,0]=4 8804 B13R1.202 Cc1ccccc1NC(F)C(=O)[O-] 34a_100015192222_100020610796 [0,2,0,0,0,0|1,0,1]=4 8805 B13R1.202 Cc1ccccc1OC(C)C(=O)N 34a_100000210338_100000702099 [0,2,0,0,0,0|1,0,0]=3 8806 B13R1.202 Cc1ccccc1OC(C)C(=O)N 7a_100000210338_100000702099 [0,2,0,0,0,0|1,0,0]=3 8807 B13R1.202 Cc1ccccc1OC(C)C(=O)[13CH3] 1458a_100000189243_200025704644 [0,2,0,0,0,0|1,0,0]=3 8808 B13R1.202 Cc1ccccc1OC(F)C(=O)N 34a_100000210338_100009813875 [0,2,0,0,0,0|1,0,0]=3 8809 B13R1.202 Cc1ccccc1OC(F)C(=O)N 7a_100000210338_100009813875 [0,2,0,0,0,0|1,0,0]=3 8810 B13R1.202 Cc1ccccc1OC(F)C(=O)[O-] 34a_100000210338_100020610796 [0,2,0,0,0,0|0,0,1]=3 8811 B13R1.202 Cc1ccccc1SC(C)C(=O)N 62a_100000210755_100000702099 [0,2,0,0,0,0|1,1,0]=4 8812 B13R1.202 Cc1ccccc1SC(C)C(=O)N 62a_100000702099_100000210755 [0,2,0,0,0,0|1,1,0]=4 8813 B13R1.202 Cc1ccccc1SC(F)C(=O)N 62a_100000210755_100009813875 [0,2,0,0,0,0|1,1,0]=4 8814 B13R1.202 Cc1ccccc1SC(F)C(=O)N 62a_100009813875_100000210755 [0,2,0,0,0,0|1,1,0]=4 8815 B13R1.202 Cc1ccccc1SC(F)C(=O)[O-] 62a_100000210755_100020610796 [0,2,0,0,0,0|0,1,1]=4 8816 B13R1.202 Cc1ccccc1SC(F)C(=O)[O-] 62a_100020610796_100000210755 [0,2,0,0,0,0|0,1,1]=4 8817 B13R1.202 Cc1ccncc1OC(C)C(=O)N 34a_100011997053_100000702099 [0,2,0,0,0,0|2,0,0]=4 8818 B13R1.202 Cc1ccncc1OC(C)C(=O)N 7a_100011997053_100000702099 [0,2,0,0,0,0|2,0,0]=4 8819 B13R1.202 Cc1ccncc1OC(F)C(=O)N 34a_100011997053_100009813875 [0,2,0,0,0,0|2,0,0]=4 8820 B13R1.202 Cc1ccncc1OC(F)C(=O)N 7a_100011997053_100009813875 [0,2,0,0,0,0|2,0,0]=4 8821 B13R1.202 Cc1ccncc1OC(F)C(=O)[O-] 34a_100011997053_100020610796 [0,2,0,0,0,0|1,0,1]=4 8822 B13R1.202 Cc1cnccc1OC(C)C(=O)N 34a_100000694293_100000702099 [0,2,0,0,0,0|2,0,0]=4 8823 B13R1.202 Cc1cnccc1OC(F)C(=O)N 34a_100000694293_100009813875 [0,2,0,0,0,0|2,0,0]=4 8824 B13R1.202 Cc1cnccc1OC(F)C(=O)[O-] 34a_100000694293_100020610796 [0,2,0,0,0,0|1,0,1]=4 8825 B13R1.202 Cc1ncccc1OC(C)C(=O)N 34a_100000745507_100000702099 [0,2,0,0,0,0|2,0,0]=4 8826 B13R1.202 Cc1ncccc1OC(C)C(=O)N 7a_100000745507_100000702099 [0,2,0,0,0,0|2,0,0]=4 8827 B13R1.202 Cc1ncccc1OC(F)C(=O)N 34a_100000745507_100009813875 [0,2,0,0,0,0|2,0,0]=4 8828 B13R1.202 Cc1ncccc1OC(F)C(=O)N 7a_100000745507_100009813875 [0,2,0,0,0,0|2,0,0]=4 8829 B13R1.202 Cc1ncccc1OC(F)C(=O)[O-] 34a_100000745507_100020610796 [0,2,0,0,0,0|1,0,1]=4 8830 B13R1.202 NC(=O)C(F)Nc1ccccc1Br 34a_100000210017_100009813875 [0,2,0,0,0,0|2,0,0]=4 8831 B13R1.202 NC(=O)C(F)Nc1ccccc1Cl 34a_100000185783_100009813875 [0,2,0,0,0,0|2,0,0]=4 8832 B13R1.202 NC(=O)C(F)Nc1ccccc1F 34a_100000210422_100009813875 [0,2,0,0,0,0|2,0,0]=4 8833 B13R1.202 NC(=O)C(F)Nc1ccccc1I 34a_100000210053_100009813875 [0,2,0,0,0,0|2,0,0]=4 8834 B13R1.202 NC(=O)C(F)Nc1ccccc1O 34a_100000185747_100009813875 [0,2,0,0,0,0|2,0,0]=4 8835 B13R1.202 NC(=O)C(F)Oc1cccc[n+]1[O-] 7a_100000211761_100009813875 [0,2,0,0,0,0|2,0,0]=4 8836 B13R1.202 NC(=O)C(F)Oc1ccccc1Br 34a_100000181306_100009813875 [0,2,0,0,0,0|1,0,0]=3 8837 B13R1.202 NC(=O)C(F)Oc1ccccc1Br 7a_100000181306_100009813875 [0,2,0,0,0,0|1,0,0]=3 8838 B13R1.202 NC(=O)C(F)Oc1ccccc1Cl 34a_100000210172_100009813875 [0,2,0,0,0,0|1,0,0]=3 8839 B13R1.202 NC(=O)C(F)Oc1ccccc1Cl 7a_100000210172_100009813875 [0,2,0,0,0,0|1,0,0]=3 8840 B13R1.202 NC(=O)C(F)Oc1ccccc1F 34a_100000210171_100009813875 [0,2,0,0,0,0|1,0,0]=3 8841 B13R1.202 NC(=O)C(F)Oc1ccccc1F 7a_100000210171_100009813875 [0,2,0,0,0,0|1,0,0]=3 8842 B13R1.202 NC(=O)C(F)Oc1ccccc1I 34a_100000739446_100009813875 [0,2,0,0,0,0|1,0,0]=3 8843 B13R1.202 NC(=O)C(F)Oc1ccccc1I 7a_100000739446_100009813875 [0,2,0,0,0,0|1,0,0]=3 8844 B13R1.202 NC(=O)C(F)Oc1ccccc1N 34a_100000185747_100009813875 [0,2,0,0,0,0|1,0,0]=3 8845 B13R1.202 NC(=O)C(F)Oc1ccccc1N 7a_100000185747_100009813875 [0,2,0,0,0,0|1,0,0]=3 8846 B13R1.202 NC(=O)C(F)Oc1cccnc1Br 34a_100000744436_100009813875 [0,2,0,0,0,0|2,0,0]=4 8847 B13R1.202 NC(=O)C(F)Oc1cccnc1Br 7a_100000744436_100009813875 [0,2,0,0,0,0|2,0,0]=4 8848 B13R1.202 NC(=O)C(F)Oc1cccnc1Cl 34a_100000757616_100009813875 [0,2,0,0,0,0|2,0,0]=4 8849 B13R1.202 NC(=O)C(F)Oc1cccnc1Cl 7a_100000757616_100009813875 [0,2,0,0,0,0|2,0,0]=4 8850 B13R1.202 NC(=O)C(F)Oc1cccnc1F 34a_100000061740_100009813875 [0,2,0,0,0,0|2,0,0]=4 8851 B13R1.202 NC(=O)C(F)Oc1cccnc1F 7a_100000061740_100009813875 [0,2,0,0,0,0|2,0,0]=4 8852 B13R1.202 NC(=O)C(F)Oc1cccnc1I 34a_100000034122_100009813875 [0,2,0,0,0,0|2,0,0]=4 8853 B13R1.202 NC(=O)C(F)Oc1cccnc1I 7a_100000034122_100009813875 [0,2,0,0,0,0|2,0,0]=4 8854 B13R1.202 NC(=O)C(F)Oc1cccnc1N 34a_100000211975_100009813875 [0,2,0,0,0,0|2,0,0]=4 8855 B13R1.202 NC(=O)C(F)Oc1cccnc1N 7a_100000211975_100009813875 [0,2,0,0,0,0|2,0,0]=4 8856 B13R1.202 NC(=O)C(F)Oc1cccoc1=O 34a_100000077404_100009813875 [0,2,0,0,0,0|2,0,0]=4 8857 B13R1.202 NC(=O)C(F)Oc1cccoc1=O 7a_100000077404_100009813875 [0,2,0,0,0,0|2,0,0]=4 8858 B13R1.202 NC(=O)C(F)Oc1ccncc1Br 34a_100011996408_100009813875 [0,2,0,0,0,0|2,0,0]=4 8859 B13R1.202 NC(=O)C(F)Oc1ccncc1Cl 34a_100011997054_100009813875 [0,2,0,0,0,0|2,0,0]=4 8860 B13R1.202 NC(=O)C(F)Oc1ccncc1F 34a_200000081243_100009813875 [0,2,0,0,0,0|2,0,0]=4 8861 B13R1.202 NC(=O)C(F)Oc1cnccc1Cl 34a_100011996695_100009813875 [0,2,0,0,0,0|2,0,0]=4 8862 B13R1.202 NC(=O)C(F)Oc1cnccc1I 34a_100000050107_100009813875 [0,2,0,0,0,0|2,0,0]=4 8863 B13R1.202 NC(=O)C(F)Oc1cnccc1N 34a_100000753702_100009813875 [0,2,0,0,0,0|2,0,0]=4 8864 B13R1.202 NC(=O)C(F)Oc1coccc1=O 34a_100000060831_100009813875 [0,2,0,0,0,0|2,0,0]=4 8865 B13R1.202 NC(=O)C(F)Oc1ncccc1Cl 34a_100011290957_100009813875 [0,2,0,0,0,0|2,0,0]=4 8866 B13R1.202 NC(=O)C(F)Oc1ncccc1F 34a_100011219419_100009813875 [0,2,0,0,0,0|2,0,0]=4 8867 B13R1.202 NC(=O)C(F)Oc1ncccc1N 34a_100000746358_100009813875 [0,2,0,0,0,0|2,0,0]=4 8868 B13R1.202 NC(=O)C(F)Sc1ccccc1Br 62a_100000695589_100009813875 [0,2,0,0,0,0|1,1,0]=4 8869 B13R1.202 NC(=O)C(F)Sc1ccccc1Br 62a_100009813875_100000695589 [0,2,0,0,0,0|1,1,0]=4 8870 B13R1.202 NC(=O)C(F)Sc1ccccc1Cl 62a_100000764095_100009813875 [0,2,0,0,0,0|1,1,0]=4 8871 B13R1.202 NC(=O)C(F)Sc1ccccc1Cl 62a_100009813875_100000764095 [0,2,0,0,0,0|1,1,0]=4 8872 B13R1.202 NC(=O)C(F)Sc1ccccc1F 62a_100009813875_100011215700 [0,2,0,0,0,0|1,1,0]=4 8873 B13R1.202 NC(=O)C(F)Sc1ccccc1F 62a_100011215700_100009813875 [0,2,0,0,0,0|1,1,0]=4 8874 B13R1.202 NC(=O)C(F)Sc1ccccc1N 62a_100000210017_100009813875 [0,2,0,0,0,0|1,1,0]=4 8875 B13R1.202 NC(=O)C(F)Sc1ccccc1N 62a_100009813875_100000210017 [0,2,0,0,0,0|1,1,0]=4 8876 B13R1.202 NC(=O)C(F)Sc1ccccc1O 62a_100000739446_100009813875 [0,2,0,0,0,0|1,1,0]=4 8877 B13R1.202 NC(=O)C(F)Sc1ccccc1O 62a_100009813875_100000739446 [0,2,0,0,0,0|1,1,0]=4 8878 B13R1.202 Nc1ccccc1OC(F)C(=O)[O-] 34a_100000185747_100020610796 [0,2,0,0,0,0|0,0,1]=3 8879 B13R1.202 Nc1ccccc1SC(F)C(=O)[O-] 62a_100000210017_100020610796 [0,2,0,0,0,0|0,1,1]=4 8880 B13R1.202 Nc1ccccc1SC(F)C(=O)[O-] 62a_100020610796_100000210017 [0,2,0,0,0,0|0,1,1]=4 8881 B13R1.202 Nc1cccnc1OC(F)C(=O)[O-] 34a_100000746358_100020610796 [0,2,0,0,0,0|1,0,1]=4 8882 B13R1.202 Nc1ccncc1OC(F)C(=O)[O-] 34a_100000753702_100020610796 [0,2,0,0,0,0|1,0,1]=4 8883 B13R1.202 Nc1ncccc1OC(F)C(=O)[O-] 34a_100000211975_100020610796 [0,2,0,0,0,0|1,0,1]=4 8884 B13R1.202 O=C([O-])C(F)Nc1ccccc1Br 34a_100000210017_100020610796 [0,2,0,0,0,0|1,0,1]=4 8885 B13R1.202 O=C([O-])C(F)Nc1ccccc1Cl 34a_100000185783_100020610796 [0,2,0,0,0,0|1,0,1]=4 8886 B13R1.202 O=C([O-])C(F)Nc1ccccc1F 34a_100000210422_100020610796 [0,2,0,0,0,0|1,0,1]=4 8887 B13R1.202 O=C([O-])C(F)Nc1ccccc1I 34a_100000210053_100020610796 [0,2,0,0,0,0|1,0,1]=4 8888 B13R1.202 O=C([O-])C(F)Nc1ccccc1O 34a_100000185747_100020610796 [0,2,0,0,0,0|1,0,1]=4 8889 B13R1.202 O=C([O-])C(F)Oc1ccccc1Br 34a_100000181306_100020610796 [0,2,0,0,0,0|0,0,1]=3 8890 B13R1.202 O=C([O-])C(F)Oc1ccccc1Cl 34a_100000210172_100020610796 [0,2,0,0,0,0|0,0,1]=3 8891 B13R1.202 O=C([O-])C(F)Oc1ccccc1F 34a_100000210171_100020610796 [0,2,0,0,0,0|0,0,1]=3 8892 B13R1.202 O=C([O-])C(F)Oc1ccccc1I 34a_100000739446_100020610796 [0,2,0,0,0,0|0,0,1]=3 8893 B13R1.202 O=C([O-])C(F)Oc1cccnc1Br 34a_100000744436_100020610796 [0,2,0,0,0,0|1,0,1]=4 8894 B13R1.202 O=C([O-])C(F)Oc1cccnc1Cl 34a_100000757616_100020610796 [0,2,0,0,0,0|1,0,1]=4 8895 B13R1.202 O=C([O-])C(F)Oc1cccnc1F 34a_100000061740_100020610796 [0,2,0,0,0,0|1,0,1]=4 8896 B13R1.202 O=C([O-])C(F)Oc1cccnc1I 34a_100000034122_100020610796 [0,2,0,0,0,0|1,0,1]=4 8897 B13R1.202 O=C([O-])C(F)Oc1cccoc1=O 34a_100000077404_100020610796 [0,2,0,0,0,0|1,0,1]=4 8898 B13R1.202 O=C([O-])C(F)Oc1ccncc1Br 34a_100011996408_100020610796 [0,2,0,0,0,0|1,0,1]=4 8899 B13R1.202 O=C([O-])C(F)Oc1ccncc1Cl 34a_100011997054_100020610796 [0,2,0,0,0,0|1,0,1]=4 8900 B13R1.202 O=C([O-])C(F)Oc1ccncc1F 34a_200000081243_100020610796 [0,2,0,0,0,0|1,0,1]=4 8901 B13R1.202 O=C([O-])C(F)Oc1cnccc1Cl 34a_100011996695_100020610796 [0,2,0,0,0,0|1,0,1]=4 8902 B13R1.202 O=C([O-])C(F)Oc1cnccc1I 34a_100000050107_100020610796 [0,2,0,0,0,0|1,0,1]=4 8903 B13R1.202 O=C([O-])C(F)Oc1coccc1=O 34a_100000060831_100020610796 [0,2,0,0,0,0|1,0,1]=4 8904 B13R1.202 O=C([O-])C(F)Oc1ncccc1Cl 34a_100011290957_100020610796 [0,2,0,0,0,0|1,0,1]=4 8905 B13R1.202 O=C([O-])C(F)Oc1ncccc1F 34a_100011219419_100020610796 [0,2,0,0,0,0|1,0,1]=4 8906 B13R1.202 O=C([O-])C(F)Sc1ccccc1Br 62a_100000695589_100020610796 [0,2,0,0,0,0|0,1,1]=4 8907 B13R1.202 O=C([O-])C(F)Sc1ccccc1Br 62a_100020610796_100000695589 [0,2,0,0,0,0|0,1,1]=4 8908 B13R1.202 O=C([O-])C(F)Sc1ccccc1Cl 62a_100000764095_100020610796 [0,2,0,0,0,0|0,1,1]=4 8909 B13R1.202 O=C([O-])C(F)Sc1ccccc1Cl 62a_100020610796_100000764095 [0,2,0,0,0,0|0,1,1]=4 8910 B13R1.202 O=C([O-])C(F)Sc1ccccc1F 62a_100011215700_100020610796 [0,2,0,0,0,0|0,1,1]=4 8911 B13R1.202 O=C([O-])C(F)Sc1ccccc1F 62a_100020610796_100011215700 [0,2,0,0,0,0|0,1,1]=4 8912 B13R1.202 O=C([O-])C(F)Sc1ccccc1O 62a_100000739446_100020610796 [0,2,0,0,0,0|0,1,1]=4 8913 B13R1.202 O=C([O-])C(F)Sc1ccccc1O 62a_100020610796_100000739446 [0,2,0,0,0,0|0,1,1]=4 8914 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200025704644 [0,2,0,0,0,0|2,0,0]=4 8915 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200025704644 [0,2,0,0,0,0|2,0,0]=4 8916 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000070787_100000183401 [0,2,0,0,0,0|2,0,0]=4 8917 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200000210301 [0,2,0,0,0,0|2,0,0]=4 8918 B13R1.418 CCC(Nc1ccccc1)C(=O)N 34a_100000106764_100000750255 [0,2,0,0,0,0|2,0,0]=4 8919 B13R1.418 CCC(Oc1ccccc1)C(=O)C 1458a_100000211556_200000210301 [0,2,0,0,0,0|1,0,0]=3 8920 B13R1.418 CCC(Oc1ccccc1)C(=O)N 34a_100000210340_100000750255 [0,2,0,0,0,0|1,0,0]=3 8921 B13R1.418 CCC(Oc1ccccc1)C(=O)N 7a_100000210340_100000750255 [0,2,0,0,0,0|1,0,0]=3 8922 B13R1.418 CCC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000211556_200025704644 [0,2,0,0,0,0|1,0,0]=3 8923 B13R1.418 CCC(Oc1cccnc1)C(=O)N 34a_100000210849_100000750255 [0,2,0,0,0,0|2,0,0]=4 8924 B13R1.418 CCC(Oc1cccnc1)C(=O)N 7a_100000210849_100000750255 [0,2,0,0,0,0|2,0,0]=4 8925 B13R1.418 CCC(Oc1ccncc1)C(=O)N 34a_100000212176_100000750255 [0,2,0,0,0,0|2,0,0]=4 8926 B13R1.418 CCC(Sc1ccccc1)C(=O)C 1458a_100000230495_200000210301 [0,2,0,0,0,0|1,1,0]=4 8927 B13R1.418 CCC(Sc1ccccc1)C(=O)N 62a_100000719477_100000750255 [0,2,0,0,0,0|1,1,0]=4 8928 B13R1.418 CCC(Sc1ccccc1)C(=O)N 62a_100000750255_100000041952 [0,2,0,0,0,0|1,1,0]=4 8929 B13R1.418 CCC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000230495_200025704644 [0,2,0,0,0,0|1,1,0]=4 8930 B13R1.418 CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_200000210301 [0,2,0,0,0,0|2,0,0]=4 8931 B13R1.418 CNC(Cc1ccccc1)C(=O)N 34a_100000745710_200000210301 [0,2,0,0,0,0|2,0,0]=4 8932 B13R1.418 [13CH3]C(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200025704644 [0,2,0,0,0,0|2,0,0]=4 8933 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 2230a_100000745710_200025704644 [0,2,0,0,0,0|2,0,0]=4 8934 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 34a_100000745710_200025704644 [0,2,0,0,0,0|2,0,0]=4 8935 B13R1.1073 CC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_200000210301 [0,2,0,0,0,0|2,0,0]=4 8936 B13R1.1073 CC(=O)C(C)(C)Oc1ccccc1 1458a_100000743201_200000210301 [0,2,0,0,0,0|1,0,0]=3 8937 B13R1.1073 CC(=O)C(C)(C)Oc1ccccc1 7a_100000210340_100000075568 [0,2,0,0,0,0|1,0,0]=3 8938 B13R1.1073 CC(=O)C(C)(C)Oc1cccnc1 7a_100000210849_100000075568 [0,2,0,0,0,0|2,0,0]=4 8939 B13R1.1073 CC(=O)C(C)(C)Sc1ccccc1 62a_100000075568_100000041952 [0,2,0,0,0,0|1,1,0]=4 8940 B13R1.1073 CC(=O)C(C)(C)Sc1ccccc1 62a_100000719477_100000075568 [0,2,0,0,0,0|1,1,0]=4 8941 B13R1.1073 CC(=O)C(F)(F)Oc1ccccc1 1458a_100000070787_200000057402 [0,2,0,0,0,0|1,0,0]=3 8942 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)[13CH3] 1458a_100000757416_200025704644 [0,2,0,0,0,0|2,0,0]=4 8943 B13R1.1073 CC(C)(Nc1ccccc1)C(=O)N 34a_100000106764_100000702505 [0,2,0,0,0,0|2,0,0]=4 8944 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)N 34a_100000210340_100000702505 [0,2,0,0,0,0|1,0,0]=3 8945 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)N 7a_100000210340_100000702505 [0,2,0,0,0,0|1,0,0]=3 8946 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)[13CH3] 1458a_100000743201_200025704644 [0,2,0,0,0,0|1,0,0]=3 8947 B13R1.1073 CC(C)(Oc1cccnc1)C(=O)N 34a_100000210849_100000702505 [0,2,0,0,0,0|2,0,0]=4 8948 B13R1.1073 CC(C)(Oc1cccnc1)C(=O)N 7a_100000210849_100000702505 [0,2,0,0,0,0|2,0,0]=4 8949 B13R1.1073 CC(C)(Oc1ccncc1)C(=O)N 34a_100000212176_100000702505 [0,2,0,0,0,0|2,0,0]=4 8950 B13R1.1073 CC(C)(Sc1ccccc1)C(=O)N 62a_100000702505_100000041952 [0,2,0,0,0,0|1,1,0]=4 8951 B13R1.1073 CC(C)(Sc1ccccc1)C(=O)N 62a_100000719477_100000702505 [0,2,0,0,0,0|1,1,0]=4 8952 B13R1.1073 NC(=O)C(F)(F)Oc1ccccc1 7a_100000210340_100009811971 [0,2,0,0,0,0|1,0,0]=3 8953 B13R1.1073 NC(=O)C(F)(F)Oc1cccnc1 7a_100000210849_100009811971 [0,2,0,0,0,0|2,0,0]=4 8954 B13R1.1073 NC(=O)C(F)(F)Sc1ccccc1 62a_100000719477_100009811971 [0,2,0,0,0,0|1,1,0]=4 8955 B13R1.1073 NC(=O)C(F)(F)Sc1ccccc1 62a_100009811971_100000041952 [0,2,0,0,0,0|1,1,0]=4 8956 B13R1.1073 O=C([O-])C(F)(F)Nc1ccccc1 34a_100000106764_100020612412 [0,2,0,0,0,0|1,0,1]=4 8957 B13R1.1073 O=C([O-])C(F)(F)Oc1ccccc1 34a_100000210340_100020612412 [0,2,0,0,0,0|0,0,1]=3 8958 B13R1.1073 O=C([O-])C(F)(F)Oc1cccnc1 34a_100000210849_100020612412 [0,2,0,0,0,0|1,0,1]=4 8959 B13R1.1073 O=C([O-])C(F)(F)Oc1ccncc1 34a_100000212176_100020612412 [0,2,0,0,0,0|1,0,1]=4 8960 B13R1.1073 O=C([O-])C(F)(F)Sc1ccccc1 62a_100000719477_100000745680 [0,2,0,0,0,0|0,1,1]=4 8961 B13R1.1073 O=C([O-])C(F)(F)Sc1ccccc1 62a_100000745680_100000041952 [0,2,0,0,0,0|0,1,1]=4 8962 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000070787_100000212080 [0,2,0,0,0,0|2,0,0]=4 8963 B13R1.147 CC(=O)CC(=O)c1cccc(c1)C 1458a_100000070787_100000739480 [0,2,0,0,0,0|2,0,0]=4 8964 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000070787_100000211444 [0,2,0,0,0,0|2,0,0]=4 8965 B13R1.147 CC(=O)CC(=O)c1cccc(c1)F 1458a_100000070787_100000215616 [0,2,0,0,0,0|2,0,0]=4 8966 B13R1.147 CC(=O)CC(=O)c1cccc(c1)O 1458a_100000070787_100009813753 [0,2,0,0,0,0|2,0,0]=4 8967 B13R1.147 CC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200000210301 [0,2,0,0,0,0|2,0,0]=4 8968 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 2230a_100000219648_100000747473 [0,2,0,0,0,0|2,0,0]=4 8969 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 269982a_100000219648_100000187820 [0,2,0,0,0,0|2,0,0]=4 8970 B13R1.147 CN(CC(=O)N)c1cccc(c1)Br 34a_100000219648_100000187820 [0,2,0,0,0,0|2,0,0]=4 8971 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 2230a_100000220044_100000747473 [0,2,0,0,0,0|2,0,0]=4 8972 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 269982a_100000220044_100000187820 [0,2,0,0,0,0|2,0,0]=4 8973 B13R1.147 CN(CC(=O)N)c1cccc(c1)Cl 34a_100000220044_100000187820 [0,2,0,0,0,0|2,0,0]=4 8974 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 2230a_100020633736_100000747473 [0,2,0,0,0,0|2,0,0]=4 8975 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 269982a_100020633736_100000187820 [0,2,0,0,0,0|2,0,0]=4 8976 B13R1.147 CN(CC(=O)N)c1cccc(c1)F 34a_100020633736_100000187820 [0,2,0,0,0,0|2,0,0]=4 8977 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 2230a_100000221217_100000747473 [0,2,0,0,0,0|2,0,0]=4 8978 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 269982a_100000221217_100000187820 [0,2,0,0,0,0|2,0,0]=4 8979 B13R1.147 CN(CC(=O)N)c1cccc(c1)I 34a_100000221217_100000187820 [0,2,0,0,0,0|2,0,0]=4 8980 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 2230a_100000756613_100000747473 [0,2,0,0,0,0|2,0,0]=4 8981 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 269982a_100000756613_100000187820 [0,2,0,0,0,0|2,0,0]=4 8982 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 34a_100000756613_100000187820 [0,2,0,0,0,0|2,0,0]=4 8983 B13R1.147 CN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200000210301 [0,2,0,0,0,0|1,0,0]=3 8984 B13R1.147 CN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200000210301 [0,2,0,0,0,0|1,0,0]=3 8985 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)Br 269982a_100000219648_100020667443 [0,2,0,0,0,0|1,0,1]=4 8986 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)Br 34a_100000219648_100020667443 [0,2,0,0,0,0|1,0,1]=4 8987 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)Cl 269982a_100000220044_100020667443 [0,2,0,0,0,0|1,0,1]=4 8988 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)Cl 34a_100000220044_100020667443 [0,2,0,0,0,0|1,0,1]=4 8989 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)F 269982a_100020633736_100020667443 [0,2,0,0,0,0|1,0,1]=4 8990 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)F 34a_100020633736_100020667443 [0,2,0,0,0,0|1,0,1]=4 8991 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)I 269982a_100000221217_100020667443 [0,2,0,0,0,0|1,0,1]=4 8992 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)I 34a_100000221217_100020667443 [0,2,0,0,0,0|1,0,1]=4 8993 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)O 269982a_100000756613_100020667443 [0,2,0,0,0,0|1,0,1]=4 8994 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)O 34a_100000756613_100020667443 [0,2,0,0,0,0|1,0,1]=4 8995 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)N 1458a_100000189346_100000187820 [0,2,0,0,0,0|2,0,0]=4 8996 B13R1.147 Cc1cccc(c1)C(=O)CC(=O)[O-] 1458a_100000189346_100020667443 [0,2,0,0,0,0|1,0,1]=4 8997 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 2230a_100000219674_100000747473 [0,2,0,0,0,0|2,0,0]=4 8998 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 269982a_100000219674_100000187820 [0,2,0,0,0,0|2,0,0]=4 8999 B13R1.147 Cc1cccc(c1)N(C)CC(=O)N 34a_100000219674_100000187820 [0,2,0,0,0,0|2,0,0]=4 9000 B13R1.147 Cc1cccc(c1)N(C)CC(=O)[O-] 269982a_100000219674_100020667443 [0,2,0,0,0,0|1,0,1]=4 9001 B13R1.147 Cc1cccc(c1)N(C)CC(=O)[O-] 34a_100000219674_100020667443 [0,2,0,0,0,0|1,0,1]=4 9002 B13R1.147 NC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000187820 [0,2,0,0,0,0|2,0,0]=4 9003 B13R1.147 NC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000187820 [0,2,0,0,0,0|2,0,0]=4 9004 B13R1.147 NC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000187820 [0,2,0,0,0,0|2,0,0]=4 9005 B13R1.147 NC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000187820 [0,2,0,0,0,0|2,0,0]=4 9006 B13R1.147 NC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000187820 [0,2,0,0,0,0|2,0,0]=4 9007 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)Br 1458a_100000210664_100020667443 [0,2,0,0,0,0|1,0,1]=4 9008 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)Cl 1458a_100000210390_100020667443 [0,2,0,0,0,0|1,0,1]=4 9009 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)F 1458a_100000210950_100020667443 [0,2,0,0,0,0|1,0,1]=4 9010 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)I 1458a_100000184098_100020667443 [0,2,0,0,0,0|1,0,1]=4 9011 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)O 1458a_100000183914_100020667443 [0,2,0,0,0,0|1,0,1]=4 9012 B13R1.147 [13CH3]C(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200025704644 [0,2,0,0,0,0|2,0,0]=4 9013 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200025704644 [0,2,0,0,0,0|1,0,0]=3 9014 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200025704644 [0,2,0,0,0,0|1,0,0]=3 9015 B13R1.201 CC(=O)CC(=O)c1ccccc1Br 1458a_100000070787_100000199116 [0,2,0,0,0,0|2,0,0]=4 9016 B13R1.201 CC(=O)CC(=O)c1ccccc1C 1458a_100000070787_100000741374 [0,2,0,0,0,0|2,0,0]=4 9017 B13R1.201 CC(=O)CC(=O)c1ccccc1Cl 1458a_100000070787_100000211432 [0,2,0,0,0,0|2,0,0]=4 9018 B13R1.201 CC(=O)CC(=O)c1ccccc1F 1458a_100000070787_100000204681 [0,2,0,0,0,0|2,0,0]=4 9019 B13R1.201 CC(=O)CC(=O)c1ccccc1O 1458a_100000070787_100000188908 [0,2,0,0,0,0|2,0,0]=4 9020 B13R1.201 CC(=O)CC(=O)c1ccccc1O 271570a_203496583355_200011243946 [0,2,0,0,0,0|2,0,0]=4 9021 B13R1.201 CC(=O)CC(C)c1ccccc1Br 1458a_100000743458_200000210301 [0,2,0,0,0,0|2,0,0]=4 9022 B13R1.201 CC(=O)CC(C)c1ccccc1Cl 1458a_100012184337_200000210301 [0,2,0,0,0,0|2,0,0]=4 9023 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Br 1458a_100000743458_200025704644 [0,2,0,0,0,0|2,0,0]=4 9024 B13R1.201 CC(CC(=O)[13CH3])c1ccccc1Cl 1458a_100012184337_200025704644 [0,2,0,0,0,0|2,0,0]=4 9025 B13R1.201 CN(CC(=O)N)c1ccccc1Br 2230a_100020606079_100000747473 [0,2,0,0,0,0|2,0,0]=4 9026 B13R1.201 CN(CC(=O)N)c1ccccc1Br 269982a_100020606079_100000187820 [0,2,0,0,0,0|2,0,0]=4 9027 B13R1.201 CN(CC(=O)N)c1ccccc1Br 34a_100020606079_100000187820 [0,2,0,0,0,0|2,0,0]=4 9028 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 2230a_100000219374_100000747473 [0,2,0,0,0,0|2,0,0]=4 9029 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 269982a_100000219374_100000187820 [0,2,0,0,0,0|2,0,0]=4 9030 B13R1.201 CN(CC(=O)N)c1ccccc1Cl 34a_100000219374_100000187820 [0,2,0,0,0,0|2,0,0]=4 9031 B13R1.201 CN(CC(=O)N)c1ccccc1F 2230a_100000220357_100000747473 [0,2,0,0,0,0|2,0,0]=4 9032 B13R1.201 CN(CC(=O)N)c1ccccc1F 269982a_100000220357_100000187820 [0,2,0,0,0,0|2,0,0]=4 9033 B13R1.201 CN(CC(=O)N)c1ccccc1F 34a_100000220357_100000187820 [0,2,0,0,0,0|2,0,0]=4 9034 B13R1.201 CN(CC(=O)N)c1ccccc1F 38a_100000220357_100000747473 [0,2,0,0,0,0|2,0,0]=4 9035 B13R1.201 CN(CC(=O)N)c1ccccc1O 269982a_100000033821_100000187820 [0,2,0,0,0,0|2,0,0]=4 9036 B13R1.201 CN(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200000210301 [0,2,0,0,0,0|1,0,0]=3 9037 B13R1.201 CN(CC(=O)O)c1ccccc1F 269956a_200011202418_200000210301 [0,2,0,0,0,0|1,0,0]=3 9038 B13R1.201 CN(CC(=O)[O-])c1ccccc1Br 269982a_100020606079_100020667443 [0,2,0,0,0,0|1,0,1]=4 9039 B13R1.201 CN(CC(=O)[O-])c1ccccc1Br 34a_100020606079_100020667443 [0,2,0,0,0,0|1,0,1]=4 9040 B13R1.201 CN(CC(=O)[O-])c1ccccc1Cl 269982a_100000219374_100020667443 [0,2,0,0,0,0|1,0,1]=4 9041 B13R1.201 CN(CC(=O)[O-])c1ccccc1Cl 34a_100000219374_100020667443 [0,2,0,0,0,0|1,0,1]=4 9042 B13R1.201 CN(CC(=O)[O-])c1ccccc1F 269982a_100000220357_100020667443 [0,2,0,0,0,0|1,0,1]=4 9043 B13R1.201 CN(CC(=O)[O-])c1ccccc1F 34a_100000220357_100020667443 [0,2,0,0,0,0|1,0,1]=4 9044 B13R1.201 CN(CC(=O)[O-])c1ccccc1F 38a_100000220357_100020667443 [0,2,0,0,0,0|1,0,1]=4 9045 B13R1.201 CN(CC(=O)[O-])c1ccccc1O 269982a_100000033821_100020667443 [0,2,0,0,0,0|1,0,1]=4 9046 B13R1.201 Cc1ccccc1C(=O)CC(=O)N 1458a_100000212026_100000187820 [0,2,0,0,0,0|2,0,0]=4 9047 B13R1.201 Cc1ccccc1C(=O)CC(=O)[O-] 1458a_100000212026_100020667443 [0,2,0,0,0,0|1,0,1]=4 9048 B13R1.201 Cc1ccccc1N(C)CC(=O)N 2230a_100000219699_100000747473 [0,2,0,0,0,0|2,0,0]=4 9049 B13R1.201 Cc1ccccc1N(C)CC(=O)N 269982a_100000219699_100000187820 [0,2,0,0,0,0|2,0,0]=4 9050 B13R1.201 Cc1ccccc1N(C)CC(=O)N 34a_100000219699_100000187820 [0,2,0,0,0,0|2,0,0]=4 9051 B13R1.201 Cc1ccccc1N(C)CC(=O)O 269956a_200011202413_200000210301 [0,2,0,0,0,0|1,0,0]=3 9052 B13R1.201 Cc1ccccc1N(C)CC(=O)[O-] 269982a_100000219699_100020667443 [0,2,0,0,0,0|1,0,1]=4 9053 B13R1.201 Cc1ccccc1N(C)CC(=O)[O-] 34a_100000219699_100020667443 [0,2,0,0,0,0|1,0,1]=4 9054 B13R1.201 Cc1ccccc1N([13CH3])CC(=O)O 269956a_200011202413_200025704644 [0,2,0,0,0,0|1,0,0]=3 9055 B13R1.201 NC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000187820 [0,2,0,0,0,0|2,0,0]=4 9056 B13R1.201 NC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000187820 [0,2,0,0,0,0|2,0,0]=4 9057 B13R1.201 NC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000187820 [0,2,0,0,0,0|2,0,0]=4 9058 B13R1.201 NC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000187820 [0,2,0,0,0,0|2,0,0]=4 9059 B13R1.201 NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000187820 [0,2,0,0,0,0|2,0,0]=4 9060 B13R1.201 NC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000187820 [0,2,0,0,0,0|2,0,0]=4 9061 B13R1.201 O=C([O-])CC(=O)c1ccccc1Br 1458a_100000188424_100020667443 [0,2,0,0,0,0|1,0,1]=4 9062 B13R1.201 O=C([O-])CC(=O)c1ccccc1Cl 1458a_100000185844_100020667443 [0,2,0,0,0,0|1,0,1]=4 9063 B13R1.201 O=C([O-])CC(=O)c1ccccc1F 1458a_100000188656_100020667443 [0,2,0,0,0,0|1,0,1]=4 9064 B13R1.201 O=C([O-])CC(=O)c1ccccc1I 1458a_100000187884_100020667443 [0,2,0,0,0,0|1,0,1]=4 9065 B13R1.201 O=C([O-])CC(=O)c1ccccc1O 1458a_100015234032_100020667443 [0,2,0,0,0,0|1,0,1]=4 9066 B13R1.201 O=C([O-])CC(=O)c1ccccc1[O-] 1458a_100009911694_100020667443 [0,2,0,0,0,0|1,0,1]=4 9067 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1Cl 269956a_100000742597_200025704644 [0,2,0,0,0,0|1,0,0]=3 9068 B13R1.201 [13CH3]N(CC(=O)O)c1ccccc1F 269956a_200011202418_200025704644 [0,2,0,0,0,0|1,0,0]=3 9069 B13R1.347 CC(=O)CC(C)(C)c1ccccc1 1458a_100011409233_200000210301 [0,2,0,0,0,0|2,0,0]=4 9070 B13R1.347 CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000070787_100000240042 [0,2,0,0,0,0|1,1,0]=4 9071 B13R1.347 CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_200000210301 [0,2,0,0,0,0|1,1,0]=4 9072 B13R1.347 CC(=O)C[Si](C)(C)c1ccccc1 1458a_100000070787_100000038972 [0,2,0,0,0,0|2,0,0]=4 9073 B13R1.347 CC(C)(CC(=O)[13CH3])c1ccccc1 1458a_100011409233_200025704644 [0,2,0,0,0,0|2,0,0]=4 9074 B13R1.347 [13CH3]C(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_200025704644 [0,2,0,0,0,0|1,1,0]=4 9075 B13R1.713 CC(=O)CC(C#N)c1ccccc1 1458a_200000079825_200000210301 [0,2,0,0,0,0|2,0,0]=4 9076 B13R1.713 CC(=O)CC(CO)c1ccccc1 1458a_106726389045_200000210301 [0,2,0,0,0,0|2,0,0]=4 9077 B13R1.713 CCN(CC(=O)N)c1ccccc1 2230a_100000210013_100000747473 [0,2,0,0,0,0|2,0,0]=4 9078 B13R1.713 CCN(CC(=O)N)c1ccccc1 2230a_100000212578_100000210202 [0,2,0,0,0,0|2,0,0]=4 9079 B13R1.713 CCN(CC(=O)N)c1ccccc1 269982a_100000210013_100000187820 [0,2,0,0,0,0|2,0,0]=4 9080 B13R1.713 CCN(CC(=O)N)c1ccccc1 269982a_100000212578_100000204670 [0,2,0,0,0,0|2,0,0]=4 9081 B13R1.713 CCN(CC(=O)N)c1ccccc1 34a_100000210013_100000187820 [0,2,0,0,0,0|2,0,0]=4 9082 B13R1.713 CCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210202 [0,2,0,0,0,0|1,0,0]=3 9083 B13R1.713 CCN(CC(=O)[O-])c1ccccc1 269982a_100000210013_100020667443 [0,2,0,0,0,0|1,0,1]=4 9084 B13R1.713 CCN(CC(=O)[O-])c1ccccc1 34a_100000210013_100020667443 [0,2,0,0,0,0|1,0,1]=4 9085 B13R1.713 CNC(CC(=O)O)c1cccnc1 269956a_100000239604_200000210301 [0,2,0,0,0,0|2,0,0]=4 9086 B13R1.713 CN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200000210301 [0,2,0,0,0,0|1,0,0]=3 9087 B13R1.713 NC(=O)CN(CF)c1ccccc1 269982a_100000212578_100015361967 [0,2,0,0,0,0|2,0,0]=4 9088 B13R1.713 O=C(O)CN(CF)c1ccccc1 269956a_100000212060_100015361967 [0,2,0,0,0,0|1,0,0]=3 9089 B13R1.713 [13CH3]C(=O)CC(C#N)c1ccccc1 1458a_200000079825_200025704644 [0,2,0,0,0,0|2,0,0]=4 9090 B13R1.713 [13CH3]C(=O)CC(CO)c1ccccc1 1458a_106726389045_200025704644 [0,2,0,0,0,0|2,0,0]=4 9091 B13R1.713 [13CH3]NC(CC(=O)O)c1cccnc1 269956a_100000239604_200025704644 [0,2,0,0,0,0|2,0,0]=4 9092 B13R1.713 [13CH3]N[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_200025704644 [0,2,0,0,0,0|1,0,0]=3 9093 B13R1.90 C#Cc1ccccc1NCC(=O)N 34a_100011470550_100000187820 [0,2,0,0,0,0|2,0,0]=4 9094 B13R1.90 C#Cc1ccccc1NCC(=O)[O-] 34a_100011470550_100020667443 [0,2,0,0,0,0|1,0,1]=4 9095 B13R1.90 C#Cc1ccccc1OCC(=C)C 34a_200011470546_100000748629 [0,2,0,0,0,0|2,0,0]=4 9096 B13R1.90 C#Cc1ccccc1OCC(=C)C 7a_200011470546_100000748629 [0,2,0,0,0,0|2,0,0]=4 9097 B13R1.90 C#Cc1ccccc1OCC(=C)F 34a_200011470546_100009893438 [0,2,0,0,0,0|2,0,0]=4 9098 B13R1.90 C#Cc1ccccc1OCC(=C)F 7a_200011470546_100000042424 [0,2,0,0,0,0|2,0,0]=4 9099 B13R1.90 C#Cc1ccccc1OCC(=O)N 34a_200011470546_100000187820 [0,2,0,0,0,0|1,0,0]=3 9100 B13R1.90 C#Cc1ccccc1OCC(=O)N 7a_200011470546_100000187820 [0,2,0,0,0,0|1,0,0]=3 9101 B13R1.90 C#Cc1ccccc1OCC(=O)[O-] 34a_200011470546_100020667443 [0,2,0,0,0,0|0,0,1]=3 9102 B13R1.90 C#Cc1ccccc1OCC(C)O 34a_200011470546_100011218427 [0,2,0,0,0,0|1,0,1]=4 9103 B13R1.90 C#Cc1ccccc1OCC(C)O 7a_200011470546_100011218427 [0,2,0,0,0,0|1,0,1]=4 9104 B13R1.90 C#Cc1ccccc1OC[C@@H](C)O 34a_200011470546_100009817552 [0,2,0,0,0,0|1,0,1]=4 9105 B13R1.90 C#Cc1ccccc1OC[C@@H](C)O 7a_200011470546_100009817552 [0,2,0,0,0,0|1,0,1]=4 9106 B13R1.90 C#Cc1ccccc1OC[N+](=O)[O-] 34a_200011470546_100000761209 [0,2,0,0,0,0|1,0,1]=4 9107 B13R1.90 C=C(C)COc1ccccc1C#N 34a_100000211048_100000748629 [0,2,0,0,0,0|2,0,0]=4 9108 B13R1.90 C=C(C)COc1ccccc1C#N 7a_100000211048_100000748629 [0,2,0,0,0,0|2,0,0]=4 9109 B13R1.90 C=C(C)COc1ccccc1CC 34a_100000210936_100000748629 [0,2,0,0,0,0|2,0,0]=4 9110 B13R1.90 C=C(C)COc1ccccc1CC 7a_100000210936_100000748629 [0,2,0,0,0,0|2,0,0]=4 9111 B13R1.90 C=C(C)COc1ccccc1CN 34a_100000185550_100000748629 [0,2,0,0,0,0|2,0,0]=4 9112 B13R1.90 C=C(C)COc1ccccc1CO 34a_100011216872_100000748629 [0,2,0,0,0,0|2,0,0]=4 9113 B13R1.90 C=C(C)COc1ccccc1NC 2230a_100000243823_200000210301 [0,2,0,0,0,0|2,0,0]=4 9114 B13R1.90 C=C(C)COc1ccccc1NC 34a_100000033821_100000748629 [0,2,0,0,0,0|2,0,0]=4 9115 B13R1.90 C=C(C)COc1ccccc1NC 34a_100000243823_200000210301 [0,2,0,0,0,0|2,0,0]=4 9116 B13R1.90 C=C(C)COc1ccccc1N[13CH3] 2230a_100000243823_200025704644 [0,2,0,0,0,0|2,0,0]=4 9117 B13R1.90 C=C(C)COc1ccccc1N[13CH3] 34a_100000243823_200025704644 [0,2,0,0,0,0|2,0,0]=4 9118 B13R1.90 C=C(C)COc1ccccc1OC 34a_100000210385_100000748629 [0,2,0,0,0,0|2,0,0]=4 9119 B13R1.90 C=C(C)COc1ccccc1SC 34a_100011216402_100000748629 [0,2,0,0,0,0|2,0,0]=4 9120 B13R1.90 C=C(F)COc1ccccc1C#N 34a_100000211048_100009893438 [0,2,0,0,0,0|2,0,0]=4 9121 B13R1.90 C=C(F)COc1ccccc1C#N 7a_100000211048_100000042424 [0,2,0,0,0,0|2,0,0]=4 9122 B13R1.90 C=C(F)COc1ccccc1CC 34a_100000210936_100009893438 [0,2,0,0,0,0|2,0,0]=4 9123 B13R1.90 C=C(F)COc1ccccc1CC 7a_100000210936_100000042424 [0,2,0,0,0,0|2,0,0]=4 9124 B13R1.90 C=C(F)COc1ccccc1CN 34a_100000185550_100009893438 [0,2,0,0,0,0|2,0,0]=4 9125 B13R1.90 C=C(F)COc1ccccc1CO 34a_100011216872_100009893438 [0,2,0,0,0,0|2,0,0]=4 9126 B13R1.90 C=C(F)COc1ccccc1NC 34a_100000033821_100009893438 [0,2,0,0,0,0|2,0,0]=4 9127 B13R1.90 C=C(F)COc1ccccc1OC 34a_100000210385_100009893438 [0,2,0,0,0,0|2,0,0]=4 9128 B13R1.90 C=C(F)COc1ccccc1SC 34a_100011216402_100009893438 [0,2,0,0,0,0|2,0,0]=4 9129 B13R1.90 C=Cc1ccccc1CCC(=O)N 271570a_100011290941_100009814947 [0,2,0,0,0,0|2,0,0]=4 9130 B13R1.90 C=Cc1ccccc1NCC(=O)N 34a_100012022501_100000187820 [0,2,0,0,0,0|2,0,0]=4 9131 B13R1.90 C=Cc1ccccc1NCC(=O)[O-] 34a_100012022501_100020667443 [0,2,0,0,0,0|1,0,1]=4 9132 B13R1.90 C=Cc1ccccc1OCC(=O)N 271570a_100011290941_200000148491 [0,2,0,0,0,0|1,0,0]=3 9133 B13R1.90 C=Cc1ccccc1SCC(=O)N 62a_100000747473_100011218376 [0,2,0,0,0,0|1,1,0]=4 9134 B13R1.90 C=Cc1ccccc1SCC(=O)N 62a_100011218376_100000747473 [0,2,0,0,0,0|1,1,0]=4 9135 B13R1.90 C=Cc1ccccc1SCC(=O)[O-] 62a_100011218376_100020667443 [0,2,0,0,0,0|0,1,1]=4 9136 B13R1.90 C=Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100011218376 [0,2,0,0,0,0|0,1,1]=4 9137 B13R1.90 CC(=O)CCc1ccccc1C#N 1458a_100000025266_200000210301 [0,2,0,0,0,0|2,0,0]=4 9138 B13R1.90 CC(=O)CCc1ccccc1C#N 1458a_100000070787_200013032965 [0,2,0,0,0,0|2,0,0]=4 9139 B13R1.90 CC(=O)CCc1ccccc1C=O 1458a_100000070787_100010186698 [0,2,0,0,0,0|2,0,0]=4 9140 B13R1.90 CC(=O)COc1ccccc1C#N 1458a_100000182527_200000210301 [0,2,0,0,0,0|1,0,0]=3 9141 B13R1.90 CC(=O)COc1ccccc1CO 1458a_200011894254_200000210301 [0,2,0,0,0,0|1,0,0]=3 9142 B13R1.90 CC(O)COc1ccccc1C#N 34a_100000211048_100011218427 [0,2,0,0,0,0|1,0,1]=4 9143 B13R1.90 CC(O)COc1ccccc1C#N 7a_100000211048_100011218427 [0,2,0,0,0,0|1,0,1]=4 9144 B13R1.90 CC(O)COc1ccccc1CN 34a_100000185550_100011218427 [0,2,0,0,0,0|1,0,1]=4 9145 B13R1.90 CC(O)COc1ccccc1CO 34a_100011216872_100011218427 [0,2,0,0,0,0|1,0,1]=4 9146 B13R1.90 CCc1ccccc1NCC(=O)N 2230a_100000212081_100000747473 [0,2,0,0,0,0|2,0,0]=4 9147 B13R1.90 CCc1ccccc1NCC(=O)N 34a_100000212081_100000187820 [0,2,0,0,0,0|2,0,0]=4 9148 B13R1.90 CCc1ccccc1NCC(=O)N 7a_100000212081_100000187820 [0,2,0,0,0,0|2,0,0]=4 9149 B13R1.90 CCc1ccccc1NCC(=O)[O-] 34a_100000212081_100020667443 [0,2,0,0,0,0|1,0,1]=4 9150 B13R1.90 CCc1ccccc1OCC(=O)C 1458a_100000182566_200000210301 [0,2,0,0,0,0|1,0,0]=3 9151 B13R1.90 CCc1ccccc1OCC(=O)N 34a_100000210936_100000187820 [0,2,0,0,0,0|1,0,0]=3 9152 B13R1.90 CCc1ccccc1OCC(=O)N 7a_100000210936_100000187820 [0,2,0,0,0,0|1,0,0]=3 9153 B13R1.90 CCc1ccccc1OCC(=O)[13CH3] 1458a_100000182566_200025704644 [0,2,0,0,0,0|1,0,0]=3 9154 B13R1.90 CCc1ccccc1OCC(=O)[O-] 34a_100000210936_100020667443 [0,2,0,0,0,0|0,0,1]=3 9155 B13R1.90 CCc1ccccc1OCC(C)O 34a_100000210936_100011218427 [0,2,0,0,0,0|1,0,1]=4 9156 B13R1.90 CCc1ccccc1OCC(C)O 7a_100000210936_100011218427 [0,2,0,0,0,0|1,0,1]=4 9157 B13R1.90 CCc1ccccc1OC[C@@H](C)O 34a_100000210936_100009817552 [0,2,0,0,0,0|1,0,1]=4 9158 B13R1.90 CCc1ccccc1OC[C@@H](C)O 7a_100000210936_100009817552 [0,2,0,0,0,0|1,0,1]=4 9159 B13R1.90 CCc1ccccc1OC[N+](=O)[O-] 34a_100000210936_100000761209 [0,2,0,0,0,0|1,0,1]=4 9160 B13R1.90 CCc1ccccc1SCC(=O)N 62a_100000747473_100011215823 [0,2,0,0,0,0|1,1,0]=4 9161 B13R1.90 CCc1ccccc1SCC(=O)N 62a_100011215823_100000747473 [0,2,0,0,0,0|1,1,0]=4 9162 B13R1.90 CCc1ccccc1SCC(=O)[O-] 62a_100011215823_100020667443 [0,2,0,0,0,0|0,1,1]=4 9163 B13R1.90 CCc1ccccc1SCC(=O)[O-] 62a_100020667443_100011215823 [0,2,0,0,0,0|0,1,1]=4 9164 B13R1.90 CNc1ccccc1OCC(=O)N 34a_100000033821_100000187820 [0,2,0,0,0,0|1,0,0]=3 9165 B13R1.90 CNc1ccccc1OCC(=O)[O-] 34a_100000033821_100020667443 [0,2,0,0,0,0|0,0,1]=3 9166 B13R1.90 CNc1ccccc1OCC(C)O 34a_100000033821_100011218427 [0,2,0,0,0,0|1,0,1]=4 9167 B13R1.90 CNc1ccccc1OC[C@@H](C)O 34a_100000033821_100009817552 [0,2,0,0,0,0|1,0,1]=4 9168 B13R1.90 CNc1ccccc1OC[N+](=O)[O-] 34a_100000033821_100000761209 [0,2,0,0,0,0|1,0,1]=4 9169 B13R1.90 CNc1ccccc1SCC(=O)N 62a_100000747473_100020606079 [0,2,0,0,0,0|1,1,0]=4 9170 B13R1.90 CNc1ccccc1SCC(=O)N 62a_100020606079_100000747473 [0,2,0,0,0,0|1,1,0]=4 9171 B13R1.90 CNc1ccccc1SCC(=O)N 7a_100000187061_200000210301 [0,2,0,0,0,0|1,1,0]=4 9172 B13R1.90 CNc1ccccc1SCC(=O)[O-] 62a_100020606079_100020667443 [0,2,0,0,0,0|0,1,1]=4 9173 B13R1.90 CNc1ccccc1SCC(=O)[O-] 62a_100020667443_100020606079 [0,2,0,0,0,0|0,1,1]=4 9174 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000070787_100011713687 [0,2,0,0,0,0|2,0,0]=4 9175 B13R1.90 COc1ccccc1CCC(=O)C 1458a_100000184355_200000210301 [0,2,0,0,0,0|2,0,0]=4 9176 B13R1.90 COc1ccccc1CCC(=O)N 34a_100011200845_200000210301 [0,2,0,0,0,0|2,0,0]=4 9177 B13R1.90 COc1ccccc1CCC(=O)N 7a_100011200845_200000210301 [0,2,0,0,0,0|2,0,0]=4 9178 B13R1.90 COc1ccccc1CCC(=O)[13CH3] 1458a_100000184355_200025704644 [0,2,0,0,0,0|2,0,0]=4 9179 B13R1.90 COc1ccccc1NCC(=O)N 34a_100000210025_100000187820 [0,2,0,0,0,0|2,0,0]=4 9180 B13R1.90 COc1ccccc1NCC(=O)[O-] 34a_100000210025_100020667443 [0,2,0,0,0,0|1,0,1]=4 9181 B13R1.90 COc1ccccc1OCC(=O)C 1458a_100000182946_200000210301 [0,2,0,0,0,0|1,0,0]=3 9182 B13R1.90 COc1ccccc1OCC(=O)N 34a_100000210385_100000187820 [0,2,0,0,0,0|1,0,0]=3 9183 B13R1.90 COc1ccccc1OCC(=O)N 7a_100000162348_200000210301 [0,2,0,0,0,0|1,0,0]=3 9184 B13R1.90 COc1ccccc1OCC(=O)[13CH3] 1458a_100000182946_200025704644 [0,2,0,0,0,0|1,0,0]=3 9185 B13R1.90 COc1ccccc1OCC(=O)[O-] 34a_100000210385_100020667443 [0,2,0,0,0,0|0,0,1]=3 9186 B13R1.90 COc1ccccc1OCC(C)O 34a_100000210385_100011218427 [0,2,0,0,0,0|1,0,1]=4 9187 B13R1.90 COc1ccccc1OC[C@@H](C)O 34a_100000210385_100009817552 [0,2,0,0,0,0|1,0,1]=4 9188 B13R1.90 COc1ccccc1OC[N+](=O)[O-] 34a_100000210385_100000761209 [0,2,0,0,0,0|1,0,1]=4 9189 B13R1.90 COc1ccccc1SCC(=O)N 62a_100000210334_100000747473 [0,2,0,0,0,0|1,1,0]=4 9190 B13R1.90 COc1ccccc1SCC(=O)N 62a_100000747473_100000210334 [0,2,0,0,0,0|1,1,0]=4 9191 B13R1.90 COc1ccccc1SCC(=O)[O-] 62a_100000210334_100020667443 [0,2,0,0,0,0|0,1,1]=4 9192 B13R1.90 COc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210334 [0,2,0,0,0,0|0,1,1]=4 9193 B13R1.90 COc1cccnc1OCC(=O)N 34a_100025773188_100000187820 [0,2,0,0,0,0|2,0,0]=4 9194 B13R1.90 COc1cccnc1OCC(=O)[O-] 34a_100025773188_100020667443 [0,2,0,0,0,0|1,0,1]=4 9195 B13R1.90 COc1ccncc1OCC(=O)N 34a_100000101186_100000187820 [0,2,0,0,0,0|2,0,0]=4 9196 B13R1.90 COc1ccncc1OCC(=O)[O-] 34a_100000101186_100020667443 [0,2,0,0,0,0|1,0,1]=4 9197 B13R1.90 COc1ncccc1OCC(=O)N 34a_100000698397_100000187820 [0,2,0,0,0,0|2,0,0]=4 9198 B13R1.90 COc1ncccc1OCC(=O)N 7a_100000698397_100000187820 [0,2,0,0,0,0|2,0,0]=4 9199 B13R1.90 COc1ncccc1OCC(=O)[O-] 34a_100000698397_100020667443 [0,2,0,0,0,0|1,0,1]=4 9200 B13R1.90 CSc1ccccc1CCC(=O)N 62a_100009814947_200000210301 [0,2,0,0,0,0|2,0,0]=4 9201 B13R1.90 CSc1ccccc1CCC(=O)N 62a_200000210301_100009814947 [0,2,0,0,0,0|2,0,0]=4 9202 B13R1.90 CSc1ccccc1NCC(=O)N 34a_100000211160_100000187820 [0,2,0,0,0,0|2,0,0]=4 9203 B13R1.90 CSc1ccccc1NCC(=O)[O-] 34a_100000211160_100020667443 [0,2,0,0,0,0|1,0,1]=4 9204 B13R1.90 CSc1ccccc1OCC(=O)N 34a_100011216402_100000187820 [0,2,0,0,0,0|1,0,0]=3 9205 B13R1.90 CSc1ccccc1OCC(=O)N 62a_200000148491_200000210301 [0,2,0,0,0,0|1,0,0]=3 9206 B13R1.90 CSc1ccccc1OCC(=O)[O-] 34a_100011216402_100020667443 [0,2,0,0,0,0|0,0,1]=3 9207 B13R1.90 CSc1ccccc1OCC(C)O 34a_100011216402_100011218427 [0,2,0,0,0,0|1,0,1]=4 9208 B13R1.90 CSc1ccccc1OC[C@@H](C)O 34a_100011216402_100009817552 [0,2,0,0,0,0|1,0,1]=4 9209 B13R1.90 CSc1ccccc1OC[N+](=O)[O-] 34a_100011216402_100000761209 [0,2,0,0,0,0|1,0,1]=4 9210 B13R1.90 CSc1ccccc1SCC(=O)N 62a_100000747473_100011217816 [0,2,0,0,0,0|1,1,0]=4 9211 B13R1.90 CSc1ccccc1SCC(=O)N 62a_100011217816_100000747473 [0,2,0,0,0,0|1,1,0]=4 9212 B13R1.90 CSc1ccccc1SCC(=O)[O-] 62a_100011217816_100020667443 [0,2,0,0,0,0|0,1,1]=4 9213 B13R1.90 CSc1ccccc1SCC(=O)[O-] 62a_100020667443_100011217816 [0,2,0,0,0,0|0,1,1]=4 9214 B13R1.90 C[C@@H](O)COc1ccccc1C#N 34a_100000211048_100009817552 [0,2,0,0,0,0|1,0,1]=4 9215 B13R1.90 C[C@@H](O)COc1ccccc1C#N 7a_100000211048_100009817552 [0,2,0,0,0,0|1,0,1]=4 9216 B13R1.90 C[C@@H](O)COc1ccccc1CN 34a_100000185550_100009817552 [0,2,0,0,0,0|1,0,1]=4 9217 B13R1.90 C[C@@H](O)COc1ccccc1CO 34a_100011216872_100009817552 [0,2,0,0,0,0|1,0,1]=4 9218 B13R1.90 N#Cc1ccccc1NCC(=O)N 34a_100000211148_100000187820 [0,2,0,0,0,0|2,0,0]=4 9219 B13R1.90 N#Cc1ccccc1NCC(=O)[O-] 34a_100000211148_100020667443 [0,2,0,0,0,0|1,0,1]=4 9220 B13R1.90 N#Cc1ccccc1OCC(=O)N 34a_100000211048_100000187820 [0,2,0,0,0,0|1,0,0]=3 9221 B13R1.90 N#Cc1ccccc1OCC(=O)N 7a_100000211048_100000187820 [0,2,0,0,0,0|1,0,0]=3 9222 B13R1.90 N#Cc1ccccc1OCC(=O)[O-] 34a_100000211048_100020667443 [0,2,0,0,0,0|0,0,1]=3 9223 B13R1.90 N#Cc1ccccc1OC[N+](=O)[O-] 34a_100000211048_100000761209 [0,2,0,0,0,0|1,0,1]=4 9224 B13R1.90 N#Cc1ccccc1SCC(=O)N 62a_100000747473_100000188569 [0,2,0,0,0,0|1,1,0]=4 9225 B13R1.90 N#Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000188569 [0,2,0,0,0,0|0,1,1]=4 9226 B13R1.90 N#Cc1ccncc1OCC(=O)N 7a_100012181322_100000187820 [0,2,0,0,0,0|2,0,0]=4 9227 B13R1.90 N#Cc1ncccc1OCC(=O)N 34a_100000722750_100000187820 [0,2,0,0,0,0|2,0,0]=4 9228 B13R1.90 N#Cc1ncccc1OCC(=O)N 7a_100000722750_100000187820 [0,2,0,0,0,0|2,0,0]=4 9229 B13R1.90 N#Cc1ncccc1OCC(=O)[O-] 34a_100000722750_100020667443 [0,2,0,0,0,0|1,0,1]=4 9230 B13R1.90 NC(=O)CNc1ccccc1CO 34a_100000212039_100000187820 [0,2,0,0,0,0|2,0,0]=4 9231 B13R1.90 NC(=O)COc1ccccc1CO 34a_100011216872_100000187820 [0,2,0,0,0,0|1,0,0]=3 9232 B13R1.90 NC(=O)COc1cccnc1CBr 34a_200020655725_100000187820 [0,2,0,0,0,0|2,0,0]=4 9233 B13R1.90 NC(=O)COc1cccnc1CBr 7a_200020655725_100000187820 [0,2,0,0,0,0|2,0,0]=4 9234 B13R1.90 NC(=O)COc1cccnc1CO 34a_100000731849_100000187820 [0,2,0,0,0,0|2,0,0]=4 9235 B13R1.90 NC(=O)COc1cnccc1CO 34a_100000078615_100000187820 [0,2,0,0,0,0|2,0,0]=4 9236 B13R1.90 NC(=O)CSc1ccccc1C=O 62a_100000210073_100000747473 [0,2,0,0,0,0|1,1,0]=4 9237 B13R1.90 NC(=O)CSc1ccccc1C=O 62a_100000747473_100000210073 [0,2,0,0,0,0|1,1,0]=4 9238 B13R1.90 NC(=O)CSc1ccccc1CO 62a_100000187465_100000747473 [0,2,0,0,0,0|1,1,0]=4 9239 B13R1.90 NC(=O)CSc1ccccc1CO 62a_100000747473_100000187465 [0,2,0,0,0,0|1,1,0]=4 9240 B13R1.90 NCc1ccccc1OCC(=O)N 34a_100000185550_100000187820 [0,2,0,0,0,0|1,0,0]=3 9241 B13R1.90 NCc1ccccc1OCC(=O)[O-] 34a_100000185550_100020667443 [0,2,0,0,0,0|0,0,1]=3 9242 B13R1.90 NCc1ccccc1OC[N+](=O)[O-] 34a_100000185550_100000761209 [0,2,0,0,0,0|1,0,1]=4 9243 B13R1.90 NCc1ccccc1SCC(=O)N 62a_100000689332_100000747473 [0,2,0,0,0,0|1,1,0]=4 9244 B13R1.90 NCc1ccccc1SCC(=O)N 62a_100000747473_100000689332 [0,2,0,0,0,0|1,1,0]=4 9245 B13R1.90 NCc1ccccc1SCC(=O)[O-] 62a_100000689332_100020667443 [0,2,0,0,0,0|0,1,1]=4 9246 B13R1.90 NCc1ccccc1SCC(=O)[O-] 62a_100020667443_100000689332 [0,2,0,0,0,0|0,1,1]=4 9247 B13R1.90 NNc1ccccc1SCC(=O)N 62a_100000241748_100000747473 [0,2,0,0,0,0|1,1,0]=4 9248 B13R1.90 NNc1ccccc1SCC(=O)N 62a_100000747473_100000241748 [0,2,0,0,0,0|1,1,0]=4 9249 B13R1.90 NNc1ccccc1SCC(=O)[O-] 62a_100000241748_100020667443 [0,2,0,0,0,0|0,1,1]=4 9250 B13R1.90 NNc1ccccc1SCC(=O)[O-] 62a_100020667443_100000241748 [0,2,0,0,0,0|0,1,1]=4 9251 B13R1.90 O=C([O-])CNc1ccccc1CO 34a_100000212039_100020667443 [0,2,0,0,0,0|1,0,1]=4 9252 B13R1.90 O=C([O-])COc1ccccc1CO 34a_100011216872_100020667443 [0,2,0,0,0,0|0,0,1]=3 9253 B13R1.90 O=C([O-])COc1cccnc1CBr 34a_200020655725_100020667443 [0,2,0,0,0,0|1,0,1]=4 9254 B13R1.90 O=C([O-])COc1cccnc1CO 34a_100000731849_100020667443 [0,2,0,0,0,0|1,0,1]=4 9255 B13R1.90 O=C([O-])COc1cnccc1CO 34a_100000078615_100020667443 [0,2,0,0,0,0|1,0,1]=4 9256 B13R1.90 O=C([O-])CSc1ccccc1CO 62a_100000187465_100020667443 [0,2,0,0,0,0|0,1,1]=4 9257 B13R1.90 O=C([O-])CSc1ccccc1CO 62a_100020667443_100000187465 [0,2,0,0,0,0|0,1,1]=4 9258 B13R1.90 O=Cc1ccccc1SCC(=O)[O-] 62a_100000210073_100020667443 [0,2,0,0,0,0|0,1,1]=4 9259 B13R1.90 O=Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210073 [0,2,0,0,0,0|0,1,1]=4 9260 B13R1.90 O=[N+]([O-])COc1ccccc1CO 34a_100011216872_100000761209 [0,2,0,0,0,0|1,0,1]=4 9261 B13R1.90 [13CH3]C(=O)CCc1ccccc1C#N 1458a_100000025266_200025704644 [0,2,0,0,0,0|2,0,0]=4 9262 B13R1.90 [13CH3]C(=O)COc1ccccc1C#N 1458a_100000182527_200025704644 [0,2,0,0,0,0|1,0,0]=3 9263 B13R1.90 [13CH3]C(=O)COc1ccccc1CO 1458a_200011894254_200025704644 [0,2,0,0,0,0|1,0,0]=3 9264 B13R1.90 [13CH3]Nc1ccccc1SCC(=O)N 7a_100000187061_200025704644 [0,2,0,0,0,0|1,1,0]=4 9265 B13R1.90 [13CH3]Oc1ccccc1CCC(=O)N 34a_100011200845_200025704644 [0,2,0,0,0,0|2,0,0]=4 9266 B13R1.90 [13CH3]Oc1ccccc1CCC(=O)N 7a_100011200845_200025704644 [0,2,0,0,0,0|2,0,0]=4 9267 B13R1.90 [13CH3]Oc1ccccc1OCC(=O)N 7a_100000162348_200025704644 [0,2,0,0,0,0|1,0,0]=3 9268 B13R1.90 [13CH3]Sc1ccccc1CCC(=O)N 62a_100009814947_200025704644 [0,2,0,0,0,0|2,0,0]=4 9269 B13R1.90 [13CH3]Sc1ccccc1CCC(=O)N 62a_200025704644_100009814947 [0,2,0,0,0,0|2,0,0]=4 9270 B13R1.90 [13CH3]Sc1ccccc1OCC(=O)N 62a_200000148491_200025704644 [0,2,0,0,0,0|1,0,0]=3 9271 B13R1.150 C=C(C)COc1cccc(c1Br)Br 34a_100010187966_100000748629 [0,2,0,0,0,0|2,0,0]=4 9272 B13R1.150 C=C(C)COc1cccc(c1Br)Br 7a_100010187966_100000748629 [0,2,0,0,0,0|2,0,0]=4 9273 B13R1.150 C=C(C)COc1cccc(c1Br)C 34a_100000686692_100000748629 [0,2,0,0,0,0|2,0,0]=4 9274 B13R1.150 C=C(C)COc1cccc(c1Br)C 7a_100000686692_100000748629 [0,2,0,0,0,0|2,0,0]=4 9275 B13R1.150 C=C(C)COc1cccc(c1Br)Cl 34a_100012348804_100000748629 [0,2,0,0,0,0|2,0,0]=4 9276 B13R1.150 C=C(C)COc1cccc(c1Br)Cl 7a_100012348804_100000748629 [0,2,0,0,0,0|2,0,0]=4 9277 B13R1.150 C=C(C)COc1cccc(c1Br)F 34a_100009820682_100000748629 [0,2,0,0,0,0|2,0,0]=4 9278 B13R1.150 C=C(C)COc1cccc(c1Br)F 7a_100009820682_100000748629 [0,2,0,0,0,0|2,0,0]=4 9279 B13R1.150 C=C(C)COc1cccc(c1Br)I 34a_100010187914_100000748629 [0,2,0,0,0,0|2,0,0]=4 9280 B13R1.150 C=C(C)COc1cccc(c1Br)I 7a_100010187914_100000748629 [0,2,0,0,0,0|2,0,0]=4 9281 B13R1.150 C=C(C)COc1cccc(c1Br)N 34a_100012183704_100000748629 [0,2,0,0,0,0|2,0,0]=4 9282 B13R1.150 C=C(C)COc1cccc(c1Br)N 7a_100012183704_100000748629 [0,2,0,0,0,0|2,0,0]=4 9283 B13R1.150 C=C(C)COc1cccc(c1C)Br 34a_100012002258_100000748629 [0,2,0,0,0,0|2,0,0]=4 9284 B13R1.150 C=C(C)COc1cccc(c1C)Br 7a_100012002258_100000748629 [0,2,0,0,0,0|2,0,0]=4 9285 B13R1.150 C=C(C)COc1cccc(c1C)C 34a_100000185855_100000748629 [0,2,0,0,0,0|2,0,0]=4 9286 B13R1.150 C=C(C)COc1cccc(c1C)C 7a_100000185855_100000748629 [0,2,0,0,0,0|2,0,0]=4 9287 B13R1.150 C=C(C)COc1cccc(c1C)Cl 34a_100011265684_100000748629 [0,2,0,0,0,0|2,0,0]=4 9288 B13R1.150 C=C(C)COc1cccc(c1C)Cl 7a_100011265684_100000748629 [0,2,0,0,0,0|2,0,0]=4 9289 B13R1.150 C=C(C)COc1cccc(c1C)F 34a_100011217231_100000748629 [0,2,0,0,0,0|2,0,0]=4 9290 B13R1.150 C=C(C)COc1cccc(c1C)F 7a_100011217231_100000748629 [0,2,0,0,0,0|2,0,0]=4 9291 B13R1.150 C=C(C)COc1cccc(c1C)N 34a_100011216573_100000748629 [0,2,0,0,0,0|2,0,0]=4 9292 B13R1.150 C=C(C)COc1cccc(c1C)N 7a_100011216573_100000748629 [0,2,0,0,0,0|2,0,0]=4 9293 B13R1.150 C=C(C)COc1cccc(c1Cl)Br 34a_100010187913_100000748629 [0,2,0,0,0,0|2,0,0]=4 9294 B13R1.150 C=C(C)COc1cccc(c1Cl)Br 7a_100010187913_100000748629 [0,2,0,0,0,0|2,0,0]=4 9295 B13R1.150 C=C(C)COc1cccc(c1Cl)C 34a_100000695629_100000748629 [0,2,0,0,0,0|2,0,0]=4 9296 B13R1.150 C=C(C)COc1cccc(c1Cl)C 7a_100000695629_100000748629 [0,2,0,0,0,0|2,0,0]=4 9297 B13R1.150 C=C(C)COc1cccc(c1Cl)Cl 34a_100000211076_100000748629 [0,2,0,0,0,0|2,0,0]=4 9298 B13R1.150 C=C(C)COc1cccc(c1Cl)Cl 7a_100000211076_100000748629 [0,2,0,0,0,0|2,0,0]=4 9299 B13R1.150 C=C(C)COc1cccc(c1Cl)F 34a_100000087408_100000748629 [0,2,0,0,0,0|2,0,0]=4 9300 B13R1.150 C=C(C)COc1cccc(c1Cl)F 7a_100000087408_100000748629 [0,2,0,0,0,0|2,0,0]=4 9301 B13R1.150 C=C(C)COc1cccc(c1Cl)I 34a_100000049636_100000748629 [0,2,0,0,0,0|2,0,0]=4 9302 B13R1.150 C=C(C)COc1cccc(c1Cl)I 7a_100000049636_100000748629 [0,2,0,0,0,0|2,0,0]=4 9303 B13R1.150 C=C(C)COc1cccc(c1Cl)N 34a_100012002038_100000748629 [0,2,0,0,0,0|2,0,0]=4 9304 B13R1.150 C=C(C)COc1cccc(c1Cl)N 7a_100012002038_100000748629 [0,2,0,0,0,0|2,0,0]=4 9305 B13R1.150 C=C(C)COc1cccc(c1F)Br 34a_100009817021_100000748629 [0,2,0,0,0,0|2,0,0]=4 9306 B13R1.150 C=C(C)COc1cccc(c1F)Br 7a_100009817021_100000748629 [0,2,0,0,0,0|2,0,0]=4 9307 B13R1.150 C=C(C)COc1cccc(c1F)C 34a_100000751311_100000748629 [0,2,0,0,0,0|2,0,0]=4 9308 B13R1.150 C=C(C)COc1cccc(c1F)C 7a_100000751311_100000748629 [0,2,0,0,0,0|2,0,0]=4 9309 B13R1.150 C=C(C)COc1cccc(c1F)Cl 34a_100000687438_100000748629 [0,2,0,0,0,0|2,0,0]=4 9310 B13R1.150 C=C(C)COc1cccc(c1F)Cl 7a_100000687438_100000748629 [0,2,0,0,0,0|2,0,0]=4 9311 B13R1.150 C=C(C)COc1cccc(c1F)F 34a_100000751161_100000748629 [0,2,0,0,0,0|2,0,0]=4 9312 B13R1.150 C=C(C)COc1cccc(c1F)F 7a_100000751161_100000748629 [0,2,0,0,0,0|2,0,0]=4 9313 B13R1.150 C=C(C)COc1cccc(c1I)Br 34a_100010187912_100000748629 [0,2,0,0,0,0|2,0,0]=4 9314 B13R1.150 C=C(C)COc1cccc(c1I)Br 7a_100010187912_100000748629 [0,2,0,0,0,0|2,0,0]=4 9315 B13R1.150 C=C(C)COc1cccc(c1I)C 34a_100010083724_100000748629 [0,2,0,0,0,0|2,0,0]=4 9316 B13R1.150 C=C(C)COc1cccc(c1I)C 7a_100010083724_100000748629 [0,2,0,0,0,0|2,0,0]=4 9317 B13R1.150 C=C(C)COc1cccc(c1I)Cl 34a_100000050174_100000748629 [0,2,0,0,0,0|2,0,0]=4 9318 B13R1.150 C=C(C)COc1cccc(c1I)Cl 7a_100000050174_100000748629 [0,2,0,0,0,0|2,0,0]=4 9319 B13R1.150 C=C(C)COc1cccc(c1I)F 34a_100000690913_100000748629 [0,2,0,0,0,0|2,0,0]=4 9320 B13R1.150 C=C(C)COc1cccc(c1I)F 7a_100000690913_100000748629 [0,2,0,0,0,0|2,0,0]=4 9321 B13R1.150 C=C(C)COc1cccc(c1N)Br 34a_100011934926_100000748629 [0,2,0,0,0,0|2,0,0]=4 9322 B13R1.150 C=C(C)COc1cccc(c1N)Br 7a_100011934926_100000748629 [0,2,0,0,0,0|2,0,0]=4 9323 B13R1.150 C=C(C)COc1cccc(c1N)C 34a_100000743429_100000748629 [0,2,0,0,0,0|2,0,0]=4 9324 B13R1.150 C=C(C)COc1cccc(c1N)C 7a_100000743429_100000748629 [0,2,0,0,0,0|2,0,0]=4 9325 B13R1.150 C=C(C)COc1cccc(c1N)Cl 34a_100012022510_100000748629 [0,2,0,0,0,0|2,0,0]=4 9326 B13R1.150 C=C(C)COc1cccc(c1N)Cl 7a_100012022510_100000748629 [0,2,0,0,0,0|2,0,0]=4 9327 B13R1.150 C=C(C)COc1cccc(c1N)F 34a_100020591140_100000748629 [0,2,0,0,0,0|2,0,0]=4 9328 B13R1.150 C=C(C)COc1cccc(c1N)F 7a_100020591140_100000748629 [0,2,0,0,0,0|2,0,0]=4 9329 B13R1.150 C=C(C)COc1cccc(c1N)I 34a_200000049512_100000748629 [0,2,0,0,0,0|2,0,0]=4 9330 B13R1.150 C=C(C)COc1cccc(c1N)I 7a_200000049512_100000748629 [0,2,0,0,0,0|2,0,0]=4 9331 B13R1.150 C=C(C)COc1cccc(c1N)N 34a_100000033209_100000748629 [0,2,0,0,0,0|2,0,0]=4 9332 B13R1.150 C=C(F)COc1cccc(c1Br)Br 34a_100010187966_100009893438 [0,2,0,0,0,0|2,0,0]=4 9333 B13R1.150 C=C(F)COc1cccc(c1Br)Br 7a_100010187966_100000042424 [0,2,0,0,0,0|2,0,0]=4 9334 B13R1.150 C=C(F)COc1cccc(c1Br)C 34a_100000686692_100009893438 [0,2,0,0,0,0|2,0,0]=4 9335 B13R1.150 C=C(F)COc1cccc(c1Br)C 7a_100000686692_100000042424 [0,2,0,0,0,0|2,0,0]=4 9336 B13R1.150 C=C(F)COc1cccc(c1Br)Cl 34a_100012348804_100009893438 [0,2,0,0,0,0|2,0,0]=4 9337 B13R1.150 C=C(F)COc1cccc(c1Br)Cl 7a_100012348804_100000042424 [0,2,0,0,0,0|2,0,0]=4 9338 B13R1.150 C=C(F)COc1cccc(c1Br)F 34a_100009820682_100009893438 [0,2,0,0,0,0|2,0,0]=4 9339 B13R1.150 C=C(F)COc1cccc(c1Br)F 7a_100009820682_100000042424 [0,2,0,0,0,0|2,0,0]=4 9340 B13R1.150 C=C(F)COc1cccc(c1Br)I 34a_100010187914_100009893438 [0,2,0,0,0,0|2,0,0]=4 9341 B13R1.150 C=C(F)COc1cccc(c1Br)I 7a_100010187914_100000042424 [0,2,0,0,0,0|2,0,0]=4 9342 B13R1.150 C=C(F)COc1cccc(c1Br)N 34a_100012183704_100009893438 [0,2,0,0,0,0|2,0,0]=4 9343 B13R1.150 C=C(F)COc1cccc(c1Br)N 7a_100012183704_100000042424 [0,2,0,0,0,0|2,0,0]=4 9344 B13R1.150 C=C(F)COc1cccc(c1C)Br 34a_100012002258_100009893438 [0,2,0,0,0,0|2,0,0]=4 9345 B13R1.150 C=C(F)COc1cccc(c1C)Br 7a_100012002258_100000042424 [0,2,0,0,0,0|2,0,0]=4 9346 B13R1.150 C=C(F)COc1cccc(c1C)C 34a_100000185855_100009893438 [0,2,0,0,0,0|2,0,0]=4 9347 B13R1.150 C=C(F)COc1cccc(c1C)C 7a_100000185855_100000042424 [0,2,0,0,0,0|2,0,0]=4 9348 B13R1.150 C=C(F)COc1cccc(c1C)Cl 34a_100011265684_100009893438 [0,2,0,0,0,0|2,0,0]=4 9349 B13R1.150 C=C(F)COc1cccc(c1C)Cl 7a_100011265684_100000042424 [0,2,0,0,0,0|2,0,0]=4 9350 B13R1.150 C=C(F)COc1cccc(c1C)F 34a_100011217231_100009893438 [0,2,0,0,0,0|2,0,0]=4 9351 B13R1.150 C=C(F)COc1cccc(c1C)F 7a_100011217231_100000042424 [0,2,0,0,0,0|2,0,0]=4 9352 B13R1.150 C=C(F)COc1cccc(c1C)N 34a_100011216573_100009893438 [0,2,0,0,0,0|2,0,0]=4 9353 B13R1.150 C=C(F)COc1cccc(c1C)N 7a_100011216573_100000042424 [0,2,0,0,0,0|2,0,0]=4 9354 B13R1.150 C=C(F)COc1cccc(c1Cl)Br 34a_100010187913_100009893438 [0,2,0,0,0,0|2,0,0]=4 9355 B13R1.150 C=C(F)COc1cccc(c1Cl)Br 7a_100010187913_100000042424 [0,2,0,0,0,0|2,0,0]=4 9356 B13R1.150 C=C(F)COc1cccc(c1Cl)C 34a_100000695629_100009893438 [0,2,0,0,0,0|2,0,0]=4 9357 B13R1.150 C=C(F)COc1cccc(c1Cl)C 7a_100000695629_100000042424 [0,2,0,0,0,0|2,0,0]=4 9358 B13R1.150 C=C(F)COc1cccc(c1Cl)Cl 34a_100000211076_100009893438 [0,2,0,0,0,0|2,0,0]=4 9359 B13R1.150 C=C(F)COc1cccc(c1Cl)Cl 7a_100000211076_100000042424 [0,2,0,0,0,0|2,0,0]=4 9360 B13R1.150 C=C(F)COc1cccc(c1Cl)F 34a_100000087408_100009893438 [0,2,0,0,0,0|2,0,0]=4 9361 B13R1.150 C=C(F)COc1cccc(c1Cl)F 7a_100000087408_100000042424 [0,2,0,0,0,0|2,0,0]=4 9362 B13R1.150 C=C(F)COc1cccc(c1Cl)I 34a_100000049636_100009893438 [0,2,0,0,0,0|2,0,0]=4 9363 B13R1.150 C=C(F)COc1cccc(c1Cl)I 7a_100000049636_100000042424 [0,2,0,0,0,0|2,0,0]=4 9364 B13R1.150 C=C(F)COc1cccc(c1Cl)N 34a_100012002038_100009893438 [0,2,0,0,0,0|2,0,0]=4 9365 B13R1.150 C=C(F)COc1cccc(c1Cl)N 7a_100012002038_100000042424 [0,2,0,0,0,0|2,0,0]=4 9366 B13R1.150 C=C(F)COc1cccc(c1F)Br 34a_100009817021_100009893438 [0,2,0,0,0,0|2,0,0]=4 9367 B13R1.150 C=C(F)COc1cccc(c1F)Br 7a_100009817021_100000042424 [0,2,0,0,0,0|2,0,0]=4 9368 B13R1.150 C=C(F)COc1cccc(c1F)C 34a_100000751311_100009893438 [0,2,0,0,0,0|2,0,0]=4 9369 B13R1.150 C=C(F)COc1cccc(c1F)C 7a_100000751311_100000042424 [0,2,0,0,0,0|2,0,0]=4 9370 B13R1.150 C=C(F)COc1cccc(c1F)Cl 34a_100000687438_100009893438 [0,2,0,0,0,0|2,0,0]=4 9371 B13R1.150 C=C(F)COc1cccc(c1F)Cl 7a_100000687438_100000042424 [0,2,0,0,0,0|2,0,0]=4 9372 B13R1.150 C=C(F)COc1cccc(c1F)F 34a_100000751161_100009893438 [0,2,0,0,0,0|2,0,0]=4 9373 B13R1.150 C=C(F)COc1cccc(c1F)F 7a_100000751161_100000042424 [0,2,0,0,0,0|2,0,0]=4 9374 B13R1.150 C=C(F)COc1cccc(c1I)Br 34a_100010187912_100009893438 [0,2,0,0,0,0|2,0,0]=4 9375 B13R1.150 C=C(F)COc1cccc(c1I)Br 7a_100010187912_100000042424 [0,2,0,0,0,0|2,0,0]=4 9376 B13R1.150 C=C(F)COc1cccc(c1I)C 34a_100010083724_100009893438 [0,2,0,0,0,0|2,0,0]=4 9377 B13R1.150 C=C(F)COc1cccc(c1I)C 7a_100010083724_100000042424 [0,2,0,0,0,0|2,0,0]=4 9378 B13R1.150 C=C(F)COc1cccc(c1I)Cl 34a_100000050174_100009893438 [0,2,0,0,0,0|2,0,0]=4 9379 B13R1.150 C=C(F)COc1cccc(c1I)Cl 7a_100000050174_100000042424 [0,2,0,0,0,0|2,0,0]=4 9380 B13R1.150 C=C(F)COc1cccc(c1I)F 34a_100000690913_100009893438 [0,2,0,0,0,0|2,0,0]=4 9381 B13R1.150 C=C(F)COc1cccc(c1I)F 7a_100000690913_100000042424 [0,2,0,0,0,0|2,0,0]=4 9382 B13R1.150 C=C(F)COc1cccc(c1N)Br 34a_100011934926_100009893438 [0,2,0,0,0,0|2,0,0]=4 9383 B13R1.150 C=C(F)COc1cccc(c1N)Br 7a_100011934926_100000042424 [0,2,0,0,0,0|2,0,0]=4 9384 B13R1.150 C=C(F)COc1cccc(c1N)C 34a_100000743429_100009893438 [0,2,0,0,0,0|2,0,0]=4 9385 B13R1.150 C=C(F)COc1cccc(c1N)C 7a_100000743429_100000042424 [0,2,0,0,0,0|2,0,0]=4 9386 B13R1.150 C=C(F)COc1cccc(c1N)Cl 34a_100012022510_100009893438 [0,2,0,0,0,0|2,0,0]=4 9387 B13R1.150 C=C(F)COc1cccc(c1N)Cl 7a_100012022510_100000042424 [0,2,0,0,0,0|2,0,0]=4 9388 B13R1.150 C=C(F)COc1cccc(c1N)F 34a_100020591140_100009893438 [0,2,0,0,0,0|2,0,0]=4 9389 B13R1.150 C=C(F)COc1cccc(c1N)F 7a_100020591140_100000042424 [0,2,0,0,0,0|2,0,0]=4 9390 B13R1.150 C=C(F)COc1cccc(c1N)I 34a_200000049512_100009893438 [0,2,0,0,0,0|2,0,0]=4 9391 B13R1.150 C=C(F)COc1cccc(c1N)I 7a_200000049512_100000042424 [0,2,0,0,0,0|2,0,0]=4 9392 B13R1.150 C=C(F)COc1cccc(c1N)N 34a_100000033209_100009893438 [0,2,0,0,0,0|2,0,0]=4 9393 B13R1.150 CC(=O)CCc1cccc(c1C)C 1458a_100011218151_200000210301 [0,2,0,0,0,0|2,0,0]=4 9394 B13R1.150 CC(=O)CCc1cccc(c1C)F 1458a_100000069055_200000210301 [0,2,0,0,0,0|2,0,0]=4 9395 B13R1.150 CC(=O)CCc1cccc(c1Cl)Cl 1458a_100000070787_100000723033 [0,2,0,0,0,0|2,0,0]=4 9396 B13R1.150 CC(=O)CCc1cccc(c1Cl)Cl 1458a_100000739359_200000210301 [0,2,0,0,0,0|2,0,0]=4 9397 B13R1.150 CC(=O)CCc1cccc(c1F)Br 1458a_100012349569_200000210301 [0,2,0,0,0,0|2,0,0]=4 9398 B13R1.150 CC(=O)CCc1cccc(c1F)Cl 1458a_100012349026_200000210301 [0,2,0,0,0,0|2,0,0]=4 9399 B13R1.150 CC(=O)CCc1cccc(c1F)F 1458a_100000748811_200000210301 [0,2,0,0,0,0|2,0,0]=4 9400 B13R1.150 CC(=O)CCc1cccc(c1O)O 1458a_100009873524_200000210301 [0,2,0,0,0,0|2,0,0]=4 9401 B13R1.150 CC(=O)COc1cccc(c1C)C 1458a_200000183798_200000210301 [0,2,0,0,0,0|1,0,0]=3 9402 B13R1.150 CC(=O)COc1cccc(c1Cl)Cl 1458a_100000191259_200000210301 [0,2,0,0,0,0|1,0,0]=3 9403 B13R1.150 CC(O)COc1cccc(c1Br)Br 34a_100010187966_100011218427 [0,2,0,0,0,0|1,0,1]=4 9404 B13R1.150 CC(O)COc1cccc(c1Br)Br 7a_100010187966_100011218427 [0,2,0,0,0,0|1,0,1]=4 9405 B13R1.150 CC(O)COc1cccc(c1Br)Cl 34a_100012348804_100011218427 [0,2,0,0,0,0|1,0,1]=4 9406 B13R1.150 CC(O)COc1cccc(c1Br)Cl 7a_100012348804_100011218427 [0,2,0,0,0,0|1,0,1]=4 9407 B13R1.150 CC(O)COc1cccc(c1Br)F 34a_100009820682_100011218427 [0,2,0,0,0,0|1,0,1]=4 9408 B13R1.150 CC(O)COc1cccc(c1Br)F 7a_100009820682_100011218427 [0,2,0,0,0,0|1,0,1]=4 9409 B13R1.150 CC(O)COc1cccc(c1Br)I 34a_100010187914_100011218427 [0,2,0,0,0,0|1,0,1]=4 9410 B13R1.150 CC(O)COc1cccc(c1Br)I 7a_100010187914_100011218427 [0,2,0,0,0,0|1,0,1]=4 9411 B13R1.150 CC(O)COc1cccc(c1Br)N 34a_100012183704_100011218427 [0,2,0,0,0,0|1,0,1]=4 9412 B13R1.150 CC(O)COc1cccc(c1Br)N 7a_100012183704_100011218427 [0,2,0,0,0,0|1,0,1]=4 9413 B13R1.150 CC(O)COc1cccc(c1Cl)Br 34a_100010187913_100011218427 [0,2,0,0,0,0|1,0,1]=4 9414 B13R1.150 CC(O)COc1cccc(c1Cl)Br 7a_100010187913_100011218427 [0,2,0,0,0,0|1,0,1]=4 9415 B13R1.150 CC(O)COc1cccc(c1Cl)Cl 34a_100000211076_100011218427 [0,2,0,0,0,0|1,0,1]=4 9416 B13R1.150 CC(O)COc1cccc(c1Cl)Cl 7a_100000211076_100011218427 [0,2,0,0,0,0|1,0,1]=4 9417 B13R1.150 CC(O)COc1cccc(c1Cl)F 34a_100000087408_100011218427 [0,2,0,0,0,0|1,0,1]=4 9418 B13R1.150 CC(O)COc1cccc(c1Cl)F 7a_100000087408_100011218427 [0,2,0,0,0,0|1,0,1]=4 9419 B13R1.150 CC(O)COc1cccc(c1Cl)I 34a_100000049636_100011218427 [0,2,0,0,0,0|1,0,1]=4 9420 B13R1.150 CC(O)COc1cccc(c1Cl)I 7a_100000049636_100011218427 [0,2,0,0,0,0|1,0,1]=4 9421 B13R1.150 CC(O)COc1cccc(c1Cl)N 34a_100012002038_100011218427 [0,2,0,0,0,0|1,0,1]=4 9422 B13R1.150 CC(O)COc1cccc(c1Cl)N 7a_100012002038_100011218427 [0,2,0,0,0,0|1,0,1]=4 9423 B13R1.150 CC(O)COc1cccc(c1F)Br 34a_100009817021_100011218427 [0,2,0,0,0,0|1,0,1]=4 9424 B13R1.150 CC(O)COc1cccc(c1F)Br 7a_100009817021_100011218427 [0,2,0,0,0,0|1,0,1]=4 9425 B13R1.150 CC(O)COc1cccc(c1F)Cl 34a_100000687438_100011218427 [0,2,0,0,0,0|1,0,1]=4 9426 B13R1.150 CC(O)COc1cccc(c1F)Cl 7a_100000687438_100011218427 [0,2,0,0,0,0|1,0,1]=4 9427 B13R1.150 CC(O)COc1cccc(c1F)F 34a_100000751161_100011218427 [0,2,0,0,0,0|1,0,1]=4 9428 B13R1.150 CC(O)COc1cccc(c1F)F 7a_100000751161_100011218427 [0,2,0,0,0,0|1,0,1]=4 9429 B13R1.150 CC(O)COc1cccc(c1I)Br 34a_100010187912_100011218427 [0,2,0,0,0,0|1,0,1]=4 9430 B13R1.150 CC(O)COc1cccc(c1I)Br 7a_100010187912_100011218427 [0,2,0,0,0,0|1,0,1]=4 9431 B13R1.150 CC(O)COc1cccc(c1I)Cl 34a_100000050174_100011218427 [0,2,0,0,0,0|1,0,1]=4 9432 B13R1.150 CC(O)COc1cccc(c1I)Cl 7a_100000050174_100011218427 [0,2,0,0,0,0|1,0,1]=4 9433 B13R1.150 CC(O)COc1cccc(c1I)F 34a_100000690913_100011218427 [0,2,0,0,0,0|1,0,1]=4 9434 B13R1.150 CC(O)COc1cccc(c1I)F 7a_100000690913_100011218427 [0,2,0,0,0,0|1,0,1]=4 9435 B13R1.150 CC(O)COc1cccc(c1N)Br 34a_100011934926_100011218427 [0,2,0,0,0,0|1,0,1]=4 9436 B13R1.150 CC(O)COc1cccc(c1N)Br 7a_100011934926_100011218427 [0,2,0,0,0,0|1,0,1]=4 9437 B13R1.150 CC(O)COc1cccc(c1N)Cl 34a_100012022510_100011218427 [0,2,0,0,0,0|1,0,1]=4 9438 B13R1.150 CC(O)COc1cccc(c1N)Cl 7a_100012022510_100011218427 [0,2,0,0,0,0|1,0,1]=4 9439 B13R1.150 CC(O)COc1cccc(c1N)F 34a_100020591140_100011218427 [0,2,0,0,0,0|1,0,1]=4 9440 B13R1.150 CC(O)COc1cccc(c1N)F 7a_100020591140_100011218427 [0,2,0,0,0,0|1,0,1]=4 9441 B13R1.150 CC(O)COc1cccc(c1N)I 34a_200000049512_100011218427 [0,2,0,0,0,0|1,0,1]=4 9442 B13R1.150 CC(O)COc1cccc(c1N)I 7a_200000049512_100011218427 [0,2,0,0,0,0|1,0,1]=4 9443 B13R1.150 CC(O)COc1cccc(c1N)N 34a_100000033209_100011218427 [0,2,0,0,0,0|1,0,1]=4 9444 B13R1.150 C[C@@H](O)COc1cccc(c1Br)Br 34a_100010187966_100009817552 [0,2,0,0,0,0|1,0,1]=4 9445 B13R1.150 C[C@@H](O)COc1cccc(c1Br)Br 7a_100010187966_100009817552 [0,2,0,0,0,0|1,0,1]=4 9446 B13R1.150 C[C@@H](O)COc1cccc(c1Br)Cl 34a_100012348804_100009817552 [0,2,0,0,0,0|1,0,1]=4 9447 B13R1.150 C[C@@H](O)COc1cccc(c1Br)Cl 7a_100012348804_100009817552 [0,2,0,0,0,0|1,0,1]=4 9448 B13R1.150 C[C@@H](O)COc1cccc(c1Br)F 34a_100009820682_100009817552 [0,2,0,0,0,0|1,0,1]=4 9449 B13R1.150 C[C@@H](O)COc1cccc(c1Br)F 7a_100009820682_100009817552 [0,2,0,0,0,0|1,0,1]=4 9450 B13R1.150 C[C@@H](O)COc1cccc(c1Br)I 34a_100010187914_100009817552 [0,2,0,0,0,0|1,0,1]=4 9451 B13R1.150 C[C@@H](O)COc1cccc(c1Br)I 7a_100010187914_100009817552 [0,2,0,0,0,0|1,0,1]=4 9452 B13R1.150 C[C@@H](O)COc1cccc(c1Br)N 34a_100012183704_100009817552 [0,2,0,0,0,0|1,0,1]=4 9453 B13R1.150 C[C@@H](O)COc1cccc(c1Br)N 7a_100012183704_100009817552 [0,2,0,0,0,0|1,0,1]=4 9454 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)Br 34a_100010187913_100009817552 [0,2,0,0,0,0|1,0,1]=4 9455 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)Br 7a_100010187913_100009817552 [0,2,0,0,0,0|1,0,1]=4 9456 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)Cl 34a_100000211076_100009817552 [0,2,0,0,0,0|1,0,1]=4 9457 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)Cl 7a_100000211076_100009817552 [0,2,0,0,0,0|1,0,1]=4 9458 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)F 34a_100000087408_100009817552 [0,2,0,0,0,0|1,0,1]=4 9459 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)F 7a_100000087408_100009817552 [0,2,0,0,0,0|1,0,1]=4 9460 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)I 34a_100000049636_100009817552 [0,2,0,0,0,0|1,0,1]=4 9461 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)I 7a_100000049636_100009817552 [0,2,0,0,0,0|1,0,1]=4 9462 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)N 34a_100012002038_100009817552 [0,2,0,0,0,0|1,0,1]=4 9463 B13R1.150 C[C@@H](O)COc1cccc(c1Cl)N 7a_100012002038_100009817552 [0,2,0,0,0,0|1,0,1]=4 9464 B13R1.150 C[C@@H](O)COc1cccc(c1F)Br 34a_100009817021_100009817552 [0,2,0,0,0,0|1,0,1]=4 9465 B13R1.150 C[C@@H](O)COc1cccc(c1F)Br 7a_100009817021_100009817552 [0,2,0,0,0,0|1,0,1]=4 9466 B13R1.150 C[C@@H](O)COc1cccc(c1F)Cl 34a_100000687438_100009817552 [0,2,0,0,0,0|1,0,1]=4 9467 B13R1.150 C[C@@H](O)COc1cccc(c1F)Cl 7a_100000687438_100009817552 [0,2,0,0,0,0|1,0,1]=4 9468 B13R1.150 C[C@@H](O)COc1cccc(c1F)F 34a_100000751161_100009817552 [0,2,0,0,0,0|1,0,1]=4 9469 B13R1.150 C[C@@H](O)COc1cccc(c1F)F 7a_100000751161_100009817552 [0,2,0,0,0,0|1,0,1]=4 9470 B13R1.150 C[C@@H](O)COc1cccc(c1I)Br 34a_100010187912_100009817552 [0,2,0,0,0,0|1,0,1]=4 9471 B13R1.150 C[C@@H](O)COc1cccc(c1I)Br 7a_100010187912_100009817552 [0,2,0,0,0,0|1,0,1]=4 9472 B13R1.150 C[C@@H](O)COc1cccc(c1I)Cl 34a_100000050174_100009817552 [0,2,0,0,0,0|1,0,1]=4 9473 B13R1.150 C[C@@H](O)COc1cccc(c1I)Cl 7a_100000050174_100009817552 [0,2,0,0,0,0|1,0,1]=4 9474 B13R1.150 C[C@@H](O)COc1cccc(c1I)F 34a_100000690913_100009817552 [0,2,0,0,0,0|1,0,1]=4 9475 B13R1.150 C[C@@H](O)COc1cccc(c1I)F 7a_100000690913_100009817552 [0,2,0,0,0,0|1,0,1]=4 9476 B13R1.150 C[C@@H](O)COc1cccc(c1N)Br 34a_100011934926_100009817552 [0,2,0,0,0,0|1,0,1]=4 9477 B13R1.150 C[C@@H](O)COc1cccc(c1N)Br 7a_100011934926_100009817552 [0,2,0,0,0,0|1,0,1]=4 9478 B13R1.150 C[C@@H](O)COc1cccc(c1N)Cl 34a_100012022510_100009817552 [0,2,0,0,0,0|1,0,1]=4 9479 B13R1.150 C[C@@H](O)COc1cccc(c1N)Cl 7a_100012022510_100009817552 [0,2,0,0,0,0|1,0,1]=4 9480 B13R1.150 C[C@@H](O)COc1cccc(c1N)F 34a_100020591140_100009817552 [0,2,0,0,0,0|1,0,1]=4 9481 B13R1.150 C[C@@H](O)COc1cccc(c1N)F 7a_100020591140_100009817552 [0,2,0,0,0,0|1,0,1]=4 9482 B13R1.150 C[C@@H](O)COc1cccc(c1N)I 34a_200000049512_100009817552 [0,2,0,0,0,0|1,0,1]=4 9483 B13R1.150 C[C@@H](O)COc1cccc(c1N)I 7a_200000049512_100009817552 [0,2,0,0,0,0|1,0,1]=4 9484 B13R1.150 C[C@@H](O)COc1cccc(c1N)N 34a_100000033209_100009817552 [0,2,0,0,0,0|1,0,1]=4 9485 B13R1.150 Cc1c(cccc1CCC(=O)[13CH3])F 1458a_100000069055_200025704644 [0,2,0,0,0,0|2,0,0]=4 9486 B13R1.150 Cc1c(cccc1NCC(=O)N)Br 34a_100000750434_100000187820 [0,2,0,0,0,0|2,0,0]=4 9487 B13R1.150 Cc1c(cccc1NCC(=O)N)Cl 2230a_100000210441_100000747473 [0,2,0,0,0,0|2,0,0]=4 9488 B13R1.150 Cc1c(cccc1NCC(=O)N)Cl 34a_100000210441_100000187820 [0,2,0,0,0,0|2,0,0]=4 9489 B13R1.150 Cc1c(cccc1NCC(=O)N)Cl 7a_100000210441_100000187820 [0,2,0,0,0,0|2,0,0]=4 9490 B13R1.150 Cc1c(cccc1NCC(=O)N)F 34a_100000745574_100000187820 [0,2,0,0,0,0|2,0,0]=4 9491 B13R1.150 Cc1c(cccc1NCC(=O)N)F 7a_100000745574_100000187820 [0,2,0,0,0,0|2,0,0]=4 9492 B13R1.150 Cc1c(cccc1NCC(=O)N)I 34a_100000761887_100000187820 [0,2,0,0,0,0|2,0,0]=4 9493 B13R1.150 Cc1c(cccc1NCC(=O)N)O 34a_100011216573_100000187820 [0,2,0,0,0,0|2,0,0]=4 9494 B13R1.150 Cc1c(cccc1NCC(=O)N)O 7a_100011216573_100000187820 [0,2,0,0,0,0|2,0,0]=4 9495 B13R1.150 Cc1c(cccc1NCC(=O)[O-])Br 34a_100000750434_100020667443 [0,2,0,0,0,0|1,0,1]=4 9496 B13R1.150 Cc1c(cccc1NCC(=O)[O-])Cl 34a_100000210441_100020667443 [0,2,0,0,0,0|1,0,1]=4 9497 B13R1.150 Cc1c(cccc1NCC(=O)[O-])F 34a_100000745574_100020667443 [0,2,0,0,0,0|1,0,1]=4 9498 B13R1.150 Cc1c(cccc1NCC(=O)[O-])I 34a_100000761887_100020667443 [0,2,0,0,0,0|1,0,1]=4 9499 B13R1.150 Cc1c(cccc1NCC(=O)[O-])O 34a_100011216573_100020667443 [0,2,0,0,0,0|1,0,1]=4 9500 B13R1.150 Cc1c(cccc1OCC(=O)N)Br 34a_100012002258_100000187820 [0,2,0,0,0,0|1,0,0]=3 9501 B13R1.150 Cc1c(cccc1OCC(=O)N)Br 7a_100012002258_100000187820 [0,2,0,0,0,0|1,0,0]=3 9502 B13R1.150 Cc1c(cccc1OCC(=O)N)Cl 34a_100011265684_100000187820 [0,2,0,0,0,0|1,0,0]=3 9503 B13R1.150 Cc1c(cccc1OCC(=O)N)Cl 7a_100011265684_100000187820 [0,2,0,0,0,0|1,0,0]=3 9504 B13R1.150 Cc1c(cccc1OCC(=O)N)F 34a_100011217231_100000187820 [0,2,0,0,0,0|1,0,0]=3 9505 B13R1.150 Cc1c(cccc1OCC(=O)N)F 7a_100011217231_100000187820 [0,2,0,0,0,0|1,0,0]=3 9506 B13R1.150 Cc1c(cccc1OCC(=O)N)N 34a_100011216573_100000187820 [0,2,0,0,0,0|1,0,0]=3 9507 B13R1.150 Cc1c(cccc1OCC(=O)N)N 7a_100011216573_100000187820 [0,2,0,0,0,0|1,0,0]=3 9508 B13R1.150 Cc1c(cccc1OCC(=O)[O-])Br 34a_100012002258_100020667443 [0,2,0,0,0,0|0,0,1]=3 9509 B13R1.150 Cc1c(cccc1OCC(=O)[O-])Cl 34a_100011265684_100020667443 [0,2,0,0,0,0|0,0,1]=3 9510 B13R1.150 Cc1c(cccc1OCC(=O)[O-])F 34a_100011217231_100020667443 [0,2,0,0,0,0|0,0,1]=3 9511 B13R1.150 Cc1c(cccc1OCC(=O)[O-])N 34a_100011216573_100020667443 [0,2,0,0,0,0|0,0,1]=3 9512 B13R1.150 Cc1c(cccc1OCC(C)O)Br 34a_100012002258_100011218427 [0,2,0,0,0,0|1,0,1]=4 9513 B13R1.150 Cc1c(cccc1OCC(C)O)Br 7a_100012002258_100011218427 [0,2,0,0,0,0|1,0,1]=4 9514 B13R1.150 Cc1c(cccc1OCC(C)O)Cl 34a_100011265684_100011218427 [0,2,0,0,0,0|1,0,1]=4 9515 B13R1.150 Cc1c(cccc1OCC(C)O)Cl 7a_100011265684_100011218427 [0,2,0,0,0,0|1,0,1]=4 9516 B13R1.150 Cc1c(cccc1OCC(C)O)F 34a_100011217231_100011218427 [0,2,0,0,0,0|1,0,1]=4 9517 B13R1.150 Cc1c(cccc1OCC(C)O)F 7a_100011217231_100011218427 [0,2,0,0,0,0|1,0,1]=4 9518 B13R1.150 Cc1c(cccc1OCC(C)O)N 34a_100011216573_100011218427 [0,2,0,0,0,0|1,0,1]=4 9519 B13R1.150 Cc1c(cccc1OCC(C)O)N 7a_100011216573_100011218427 [0,2,0,0,0,0|1,0,1]=4 9520 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)Br 34a_100012002258_100009817552 [0,2,0,0,0,0|1,0,1]=4 9521 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)Br 7a_100012002258_100009817552 [0,2,0,0,0,0|1,0,1]=4 9522 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)Cl 34a_100011265684_100009817552 [0,2,0,0,0,0|1,0,1]=4 9523 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)Cl 7a_100011265684_100009817552 [0,2,0,0,0,0|1,0,1]=4 9524 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)F 34a_100011217231_100009817552 [0,2,0,0,0,0|1,0,1]=4 9525 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)F 7a_100011217231_100009817552 [0,2,0,0,0,0|1,0,1]=4 9526 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)N 34a_100011216573_100009817552 [0,2,0,0,0,0|1,0,1]=4 9527 B13R1.150 Cc1c(cccc1OC[C@@H](C)O)N 7a_100011216573_100009817552 [0,2,0,0,0,0|1,0,1]=4 9528 B13R1.150 Cc1c(cccc1OC[N+](=O)[O-])Br 34a_100012002258_100000761209 [0,2,0,0,0,0|1,0,1]=4 9529 B13R1.150 Cc1c(cccc1OC[N+](=O)[O-])Cl 34a_100011265684_100000761209 [0,2,0,0,0,0|1,0,1]=4 9530 B13R1.150 Cc1c(cccc1OC[N+](=O)[O-])F 34a_100011217231_100000761209 [0,2,0,0,0,0|1,0,1]=4 9531 B13R1.150 Cc1c(cccc1OC[N+](=O)[O-])N 34a_100011216573_100000761209 [0,2,0,0,0,0|1,0,1]=4 9532 B13R1.150 Cc1c(cccc1SCC(=O)N)Br 62a_100000747473_100012353703 [0,2,0,0,0,0|1,1,0]=4 9533 B13R1.150 Cc1c(cccc1SCC(=O)N)Br 62a_100012353703_100000747473 [0,2,0,0,0,0|1,1,0]=4 9534 B13R1.150 Cc1c(cccc1SCC(=O)N)Cl 62a_100000726075_100000747473 [0,2,0,0,0,0|1,1,0]=4 9535 B13R1.150 Cc1c(cccc1SCC(=O)N)Cl 62a_100000747473_100000726075 [0,2,0,0,0,0|1,1,0]=4 9536 B13R1.150 Cc1c(cccc1SCC(=O)N)F 62a_100000747473_100011216893 [0,2,0,0,0,0|1,1,0]=4 9537 B13R1.150 Cc1c(cccc1SCC(=O)N)F 62a_100011216893_100000747473 [0,2,0,0,0,0|1,1,0]=4 9538 B13R1.150 Cc1c(cccc1SCC(=O)N)N 62a_100000747473_100000761887 [0,2,0,0,0,0|1,1,0]=4 9539 B13R1.150 Cc1c(cccc1SCC(=O)N)N 62a_100000761887_100000747473 [0,2,0,0,0,0|1,1,0]=4 9540 B13R1.150 Cc1c(cccc1SCC(=O)N)O 62a_100000747473_100012002258 [0,2,0,0,0,0|1,1,0]=4 9541 B13R1.150 Cc1c(cccc1SCC(=O)N)O 62a_100012002258_100000747473 [0,2,0,0,0,0|1,1,0]=4 9542 B13R1.150 Cc1c(cccc1SCC(=O)[O-])Br 62a_100012353703_100020667443 [0,2,0,0,0,0|0,1,1]=4 9543 B13R1.150 Cc1c(cccc1SCC(=O)[O-])Br 62a_100020667443_100012353703 [0,2,0,0,0,0|0,1,1]=4 9544 B13R1.150 Cc1c(cccc1SCC(=O)[O-])Cl 62a_100000726075_100020667443 [0,2,0,0,0,0|0,1,1]=4 9545 B13R1.150 Cc1c(cccc1SCC(=O)[O-])Cl 62a_100020667443_100000726075 [0,2,0,0,0,0|0,1,1]=4 9546 B13R1.150 Cc1c(cccc1SCC(=O)[O-])F 62a_100011216893_100020667443 [0,2,0,0,0,0|0,1,1]=4 9547 B13R1.150 Cc1c(cccc1SCC(=O)[O-])F 62a_100020667443_100011216893 [0,2,0,0,0,0|0,1,1]=4 9548 B13R1.150 Cc1c(cccc1SCC(=O)[O-])N 62a_100000761887_100020667443 [0,2,0,0,0,0|0,1,1]=4 9549 B13R1.150 Cc1c(cccc1SCC(=O)[O-])N 62a_100020667443_100000761887 [0,2,0,0,0,0|0,1,1]=4 9550 B13R1.150 Cc1c(cccc1SCC(=O)[O-])O 62a_100012002258_100020667443 [0,2,0,0,0,0|0,1,1]=4 9551 B13R1.150 Cc1c(cccc1SCC(=O)[O-])O 62a_100020667443_100012002258 [0,2,0,0,0,0|0,1,1]=4 9552 B13R1.150 Cc1c(ccnc1OCC(=O)N)Br 34a_100009858498_100000187820 [0,2,0,0,0,0|2,0,0]=4 9553 B13R1.150 Cc1c(ccnc1OCC(=O)[O-])Br 34a_100009858498_100020667443 [0,2,0,0,0,0|1,0,1]=4 9554 B13R1.150 Cc1cccc(c1Br)NCC(=O)N 34a_100000684715_100000187820 [0,2,0,0,0,0|2,0,0]=4 9555 B13R1.150 Cc1cccc(c1Br)NCC(=O)[O-] 34a_100000684715_100020667443 [0,2,0,0,0,0|1,0,1]=4 9556 B13R1.150 Cc1cccc(c1Br)OCC(=O)N 34a_100000686692_100000187820 [0,2,0,0,0,0|1,0,0]=3 9557 B13R1.150 Cc1cccc(c1Br)OCC(=O)N 7a_100000686692_100000187820 [0,2,0,0,0,0|1,0,0]=3 9558 B13R1.150 Cc1cccc(c1Br)OCC(=O)[O-] 34a_100000686692_100020667443 [0,2,0,0,0,0|0,0,1]=3 9559 B13R1.150 Cc1cccc(c1Br)OCC(C)O 34a_100000686692_100011218427 [0,2,0,0,0,0|1,0,1]=4 9560 B13R1.150 Cc1cccc(c1Br)OCC(C)O 7a_100000686692_100011218427 [0,2,0,0,0,0|1,0,1]=4 9561 B13R1.150 Cc1cccc(c1Br)OC[C@@H](C)O 34a_100000686692_100009817552 [0,2,0,0,0,0|1,0,1]=4 9562 B13R1.150 Cc1cccc(c1Br)OC[C@@H](C)O 7a_100000686692_100009817552 [0,2,0,0,0,0|1,0,1]=4 9563 B13R1.150 Cc1cccc(c1Br)OC[N+](=O)[O-] 34a_100000686692_100000761209 [0,2,0,0,0,0|1,0,1]=4 9564 B13R1.150 Cc1cccc(c1Br)SCC(=O)N 62a_100000747473_100012362457 [0,2,0,0,0,0|1,1,0]=4 9565 B13R1.150 Cc1cccc(c1Br)SCC(=O)N 62a_100012362457_100000747473 [0,2,0,0,0,0|1,1,0]=4 9566 B13R1.150 Cc1cccc(c1Br)SCC(=O)[O-] 62a_100012362457_100020667443 [0,2,0,0,0,0|0,1,1]=4 9567 B13R1.150 Cc1cccc(c1Br)SCC(=O)[O-] 62a_100020667443_100012362457 [0,2,0,0,0,0|0,1,1]=4 9568 B13R1.150 Cc1cccc(c1C)CCC(=O)[13CH3] 1458a_100011218151_200025704644 [0,2,0,0,0,0|2,0,0]=4 9569 B13R1.150 Cc1cccc(c1C)NCC(=O)N 2230a_100000210026_100000747473 [0,2,0,0,0,0|2,0,0]=4 9570 B13R1.150 Cc1cccc(c1C)NCC(=O)N 34a_100000210026_100000187820 [0,2,0,0,0,0|2,0,0]=4 9571 B13R1.150 Cc1cccc(c1C)NCC(=O)N 7a_100000210026_100000187820 [0,2,0,0,0,0|2,0,0]=4 9572 B13R1.150 Cc1cccc(c1C)NCC(=O)[O-] 34a_100000210026_100020667443 [0,2,0,0,0,0|1,0,1]=4 9573 B13R1.150 Cc1cccc(c1C)OCC(=O)N 34a_100000185855_100000187820 [0,2,0,0,0,0|1,0,0]=3 9574 B13R1.150 Cc1cccc(c1C)OCC(=O)N 7a_100000185855_100000187820 [0,2,0,0,0,0|1,0,0]=3 9575 B13R1.150 Cc1cccc(c1C)OCC(=O)[13CH3] 1458a_200000183798_200025704644 [0,2,0,0,0,0|1,0,0]=3 9576 B13R1.150 Cc1cccc(c1C)OCC(=O)[O-] 34a_100000185855_100020667443 [0,2,0,0,0,0|0,0,1]=3 9577 B13R1.150 Cc1cccc(c1C)OCC(C)O 34a_100000185855_100011218427 [0,2,0,0,0,0|1,0,1]=4 9578 B13R1.150 Cc1cccc(c1C)OCC(C)O 7a_100000185855_100011218427 [0,2,0,0,0,0|1,0,1]=4 9579 B13R1.150 Cc1cccc(c1C)OC[C@@H](C)O 34a_100000185855_100009817552 [0,2,0,0,0,0|1,0,1]=4 9580 B13R1.150 Cc1cccc(c1C)OC[C@@H](C)O 7a_100000185855_100009817552 [0,2,0,0,0,0|1,0,1]=4 9581 B13R1.150 Cc1cccc(c1C)OC[N+](=O)[O-] 34a_100000185855_100000761209 [0,2,0,0,0,0|1,0,1]=4 9582 B13R1.150 Cc1cccc(c1C)SCC(=O)N 62a_100000747473_100011214922 [0,2,0,0,0,0|1,1,0]=4 9583 B13R1.150 Cc1cccc(c1C)SCC(=O)N 62a_100011214922_100000747473 [0,2,0,0,0,0|1,1,0]=4 9584 B13R1.150 Cc1cccc(c1C)SCC(=O)[O-] 62a_100011214922_100020667443 [0,2,0,0,0,0|0,1,1]=4 9585 B13R1.150 Cc1cccc(c1C)SCC(=O)[O-] 62a_100020667443_100011214922 [0,2,0,0,0,0|0,1,1]=4 9586 B13R1.150 Cc1cccc(c1Cl)NCC(=O)N 34a_100000765562_100000187820 [0,2,0,0,0,0|2,0,0]=4 9587 B13R1.150 Cc1cccc(c1Cl)NCC(=O)N 7a_100000765562_100000187820 [0,2,0,0,0,0|2,0,0]=4 9588 B13R1.150 Cc1cccc(c1Cl)NCC(=O)[O-] 34a_100000765562_100020667443 [0,2,0,0,0,0|1,0,1]=4 9589 B13R1.150 Cc1cccc(c1Cl)OCC(=O)N 34a_100000695629_100000187820 [0,2,0,0,0,0|1,0,0]=3 9590 B13R1.150 Cc1cccc(c1Cl)OCC(=O)N 7a_100000695629_100000187820 [0,2,0,0,0,0|1,0,0]=3 9591 B13R1.150 Cc1cccc(c1Cl)OCC(=O)[O-] 34a_100000695629_100020667443 [0,2,0,0,0,0|0,0,1]=3 9592 B13R1.150 Cc1cccc(c1Cl)OCC(C)O 34a_100000695629_100011218427 [0,2,0,0,0,0|1,0,1]=4 9593 B13R1.150 Cc1cccc(c1Cl)OCC(C)O 7a_100000695629_100011218427 [0,2,0,0,0,0|1,0,1]=4 9594 B13R1.150 Cc1cccc(c1Cl)OC[C@@H](C)O 34a_100000695629_100009817552 [0,2,0,0,0,0|1,0,1]=4 9595 B13R1.150 Cc1cccc(c1Cl)OC[C@@H](C)O 7a_100000695629_100009817552 [0,2,0,0,0,0|1,0,1]=4 9596 B13R1.150 Cc1cccc(c1Cl)OC[N+](=O)[O-] 34a_100000695629_100000761209 [0,2,0,0,0,0|1,0,1]=4 9597 B13R1.150 Cc1cccc(c1Cl)SCC(=O)N 62a_100000747473_200012352035 [0,2,0,0,0,0|1,1,0]=4 9598 B13R1.150 Cc1cccc(c1Cl)SCC(=O)N 62a_200012352035_100000747473 [0,2,0,0,0,0|1,1,0]=4 9599 B13R1.150 Cc1cccc(c1Cl)SCC(=O)[O-] 62a_100020667443_200012352035 [0,2,0,0,0,0|0,1,1]=4 9600 B13R1.150 Cc1cccc(c1Cl)SCC(=O)[O-] 62a_200012352035_100020667443 [0,2,0,0,0,0|0,1,1]=4 9601 B13R1.150 Cc1cccc(c1F)NCC(=O)N 2230a_100000697159_100000747473 [0,2,0,0,0,0|2,0,0]=4 9602 B13R1.150 Cc1cccc(c1F)NCC(=O)N 34a_100000697159_100000187820 [0,2,0,0,0,0|2,0,0]=4 9603 B13R1.150 Cc1cccc(c1F)NCC(=O)N 7a_100000697159_100000187820 [0,2,0,0,0,0|2,0,0]=4 9604 B13R1.150 Cc1cccc(c1F)NCC(=O)[O-] 34a_100000697159_100020667443 [0,2,0,0,0,0|1,0,1]=4 9605 B13R1.150 Cc1cccc(c1F)OCC(=O)N 34a_100000751311_100000187820 [0,2,0,0,0,0|1,0,0]=3 9606 B13R1.150 Cc1cccc(c1F)OCC(=O)N 7a_100000751311_100000187820 [0,2,0,0,0,0|1,0,0]=3 9607 B13R1.150 Cc1cccc(c1F)OCC(=O)[O-] 34a_100000751311_100020667443 [0,2,0,0,0,0|0,0,1]=3 9608 B13R1.150 Cc1cccc(c1F)OCC(C)O 34a_100000751311_100011218427 [0,2,0,0,0,0|1,0,1]=4 9609 B13R1.150 Cc1cccc(c1F)OCC(C)O 7a_100000751311_100011218427 [0,2,0,0,0,0|1,0,1]=4 9610 B13R1.150 Cc1cccc(c1F)OC[C@@H](C)O 34a_100000751311_100009817552 [0,2,0,0,0,0|1,0,1]=4 9611 B13R1.150 Cc1cccc(c1F)OC[C@@H](C)O 7a_100000751311_100009817552 [0,2,0,0,0,0|1,0,1]=4 9612 B13R1.150 Cc1cccc(c1F)OC[N+](=O)[O-] 34a_100000751311_100000761209 [0,2,0,0,0,0|1,0,1]=4 9613 B13R1.150 Cc1cccc(c1F)SCC(=O)N 62a_100000717567_100000747473 [0,2,0,0,0,0|1,1,0]=4 9614 B13R1.150 Cc1cccc(c1F)SCC(=O)N 62a_100000747473_100000717567 [0,2,0,0,0,0|1,1,0]=4 9615 B13R1.150 Cc1cccc(c1F)SCC(=O)[O-] 62a_100000717567_100020667443 [0,2,0,0,0,0|0,1,1]=4 9616 B13R1.150 Cc1cccc(c1F)SCC(=O)[O-] 62a_100020667443_100000717567 [0,2,0,0,0,0|0,1,1]=4 9617 B13R1.150 Cc1cccc(c1I)NCC(=O)N 34a_100000761888_100000187820 [0,2,0,0,0,0|2,0,0]=4 9618 B13R1.150 Cc1cccc(c1I)NCC(=O)[O-] 34a_100000761888_100020667443 [0,2,0,0,0,0|1,0,1]=4 9619 B13R1.150 Cc1cccc(c1I)OCC(=O)N 34a_100010083724_100000187820 [0,2,0,0,0,0|1,0,0]=3 9620 B13R1.150 Cc1cccc(c1I)OCC(=O)N 7a_100010083724_100000187820 [0,2,0,0,0,0|1,0,0]=3 9621 B13R1.150 Cc1cccc(c1I)OCC(=O)[O-] 34a_100010083724_100020667443 [0,2,0,0,0,0|0,0,1]=3 9622 B13R1.150 Cc1cccc(c1I)OCC(C)O 34a_100010083724_100011218427 [0,2,0,0,0,0|1,0,1]=4 9623 B13R1.150 Cc1cccc(c1I)OCC(C)O 7a_100010083724_100011218427 [0,2,0,0,0,0|1,0,1]=4 9624 B13R1.150 Cc1cccc(c1I)OC[C@@H](C)O 34a_100010083724_100009817552 [0,2,0,0,0,0|1,0,1]=4 9625 B13R1.150 Cc1cccc(c1I)OC[C@@H](C)O 7a_100010083724_100009817552 [0,2,0,0,0,0|1,0,1]=4 9626 B13R1.150 Cc1cccc(c1I)OC[N+](=O)[O-] 34a_100010083724_100000761209 [0,2,0,0,0,0|1,0,1]=4 9627 B13R1.150 Cc1cccc(c1N)OCC(=O)N 34a_100000743429_100000187820 [0,2,0,0,0,0|1,0,0]=3 9628 B13R1.150 Cc1cccc(c1N)OCC(=O)N 7a_100000743429_100000187820 [0,2,0,0,0,0|1,0,0]=3 9629 B13R1.150 Cc1cccc(c1N)OCC(=O)[O-] 34a_100000743429_100020667443 [0,2,0,0,0,0|0,0,1]=3 9630 B13R1.150 Cc1cccc(c1N)OCC(C)O 34a_100000743429_100011218427 [0,2,0,0,0,0|1,0,1]=4 9631 B13R1.150 Cc1cccc(c1N)OCC(C)O 7a_100000743429_100011218427 [0,2,0,0,0,0|1,0,1]=4 9632 B13R1.150 Cc1cccc(c1N)OC[C@@H](C)O 34a_100000743429_100009817552 [0,2,0,0,0,0|1,0,1]=4 9633 B13R1.150 Cc1cccc(c1N)OC[C@@H](C)O 7a_100000743429_100009817552 [0,2,0,0,0,0|1,0,1]=4 9634 B13R1.150 Cc1cccc(c1N)OC[N+](=O)[O-] 34a_100000743429_100000761209 [0,2,0,0,0,0|1,0,1]=4 9635 B13R1.150 Cc1cccc(c1N)SCC(=O)N 62a_100000747473_100011834072 [0,2,0,0,0,0|1,1,0]=4 9636 B13R1.150 Cc1cccc(c1N)SCC(=O)N 62a_100011834072_100000747473 [0,2,0,0,0,0|1,1,0]=4 9637 B13R1.150 Cc1cccc(c1N)SCC(=O)[O-] 62a_100011834072_100020667443 [0,2,0,0,0,0|0,1,1]=4 9638 B13R1.150 Cc1cccc(c1N)SCC(=O)[O-] 62a_100020667443_100011834072 [0,2,0,0,0,0|0,1,1]=4 9639 B13R1.150 Cc1cccc(c1O)NCC(=O)N 34a_100000756359_100000187820 [0,2,0,0,0,0|2,0,0]=4 9640 B13R1.150 Cc1cccc(c1O)NCC(=O)[O-] 34a_100000756359_100020667443 [0,2,0,0,0,0|1,0,1]=4 9641 B13R1.150 Cc1cccc(c1O)SCC(=O)N 62a_100000747473_100009817157 [0,2,0,0,0,0|1,1,0]=4 9642 B13R1.150 Cc1cccc(c1O)SCC(=O)N 62a_100009817157_100000747473 [0,2,0,0,0,0|1,1,0]=4 9643 B13R1.150 Cc1cccc(c1O)SCC(=O)[O-] 62a_100009817157_100020667443 [0,2,0,0,0,0|0,1,1]=4 9644 B13R1.150 Cc1cccc(c1O)SCC(=O)[O-] 62a_100020667443_100009817157 [0,2,0,0,0,0|0,1,1]=4 9645 B13R1.150 Cc1ccnc(c1Br)OCC(=O)N 34a_100012000493_100000187820 [0,2,0,0,0,0|2,0,0]=4 9646 B13R1.150 Cc1ccnc(c1Br)OCC(=O)[O-] 34a_100012000493_100020667443 [0,2,0,0,0,0|1,0,1]=4 9647 B13R1.150 Cn1cccc(c1=O)OCC(=O)N 34a_100000117616_100000187820 [0,2,0,0,0,0|2,0,0]=4 9648 B13R1.150 Cn1cccc(c1=O)OCC(=O)N 7a_100000117616_100000187820 [0,2,0,0,0,0|2,0,0]=4 9649 B13R1.150 Cn1cccc(c1=O)OCC(=O)[O-] 34a_100000117616_100020667443 [0,2,0,0,0,0|1,0,1]=4 9650 B13R1.150 NC(=O)CNc1cccc(c1Br)Cl 34a_100000687072_100000187820 [0,2,0,0,0,0|2,0,0]=4 9651 B13R1.150 NC(=O)CNc1cccc(c1Br)F 34a_100011934729_100000187820 [0,2,0,0,0,0|2,0,0]=4 9652 B13R1.150 NC(=O)CNc1cccc(c1Br)O 34a_100012183704_100000187820 [0,2,0,0,0,0|2,0,0]=4 9653 B13R1.150 NC(=O)CNc1cccc(c1Br)O 7a_100012183704_100000187820 [0,2,0,0,0,0|2,0,0]=4 9654 B13R1.150 NC(=O)CNc1cccc(c1Cl)Br 34a_100000687075_100000187820 [0,2,0,0,0,0|2,0,0]=4 9655 B13R1.150 NC(=O)CNc1cccc(c1Cl)Cl 34a_100000185733_100000187820 [0,2,0,0,0,0|2,0,0]=4 9656 B13R1.150 NC(=O)CNc1cccc(c1Cl)F 34a_100000692321_100000187820 [0,2,0,0,0,0|2,0,0]=4 9657 B13R1.150 NC(=O)CNc1cccc(c1Cl)O 34a_100012002038_100000187820 [0,2,0,0,0,0|2,0,0]=4 9658 B13R1.150 NC(=O)CNc1cccc(c1Cl)O 7a_100012002038_100000187820 [0,2,0,0,0,0|2,0,0]=4 9659 B13R1.150 NC(=O)CNc1cccc(c1F)Br 2230a_100011935091_100000747473 [0,2,0,0,0,0|2,0,0]=4 9660 B13R1.150 NC(=O)CNc1cccc(c1F)Br 34a_100011935091_100000187820 [0,2,0,0,0,0|2,0,0]=4 9661 B13R1.150 NC(=O)CNc1cccc(c1F)Cl 2230a_100000199060_100000747473 [0,2,0,0,0,0|2,0,0]=4 9662 B13R1.150 NC(=O)CNc1cccc(c1F)Cl 34a_100000199060_100000187820 [0,2,0,0,0,0|2,0,0]=4 9663 B13R1.150 NC(=O)CNc1cccc(c1F)F 34a_100000743855_100000187820 [0,2,0,0,0,0|2,0,0]=4 9664 B13R1.150 NC(=O)CNc1cccc(c1I)Br 34a_100020590159_100000187820 [0,2,0,0,0,0|2,0,0]=4 9665 B13R1.150 NC(=O)CNc1cccc(c1I)Cl 34a_100000049713_100000187820 [0,2,0,0,0,0|2,0,0]=4 9666 B13R1.150 NC(=O)CNc1cccc(c1I)F 34a_100000690935_100000187820 [0,2,0,0,0,0|2,0,0]=4 9667 B13R1.150 NC(=O)CNc1cccc(c1O)Br 34a_100011934915_100000187820 [0,2,0,0,0,0|2,0,0]=4 9668 B13R1.150 NC(=O)CNc1cccc(c1O)Cl 34a_100000754742_100000187820 [0,2,0,0,0,0|2,0,0]=4 9669 B13R1.150 NC(=O)CNc1cccc(c1O)F 34a_100011934987_100000187820 [0,2,0,0,0,0|2,0,0]=4 9670 B13R1.150 NC(=O)COc1cccc(c1Br)Br 34a_100010187966_100000187820 [0,2,0,0,0,0|1,0,0]=3 9671 B13R1.150 NC(=O)COc1cccc(c1Br)Br 7a_100010187966_100000187820 [0,2,0,0,0,0|1,0,0]=3 9672 B13R1.150 NC(=O)COc1cccc(c1Br)Cl 34a_100012348804_100000187820 [0,2,0,0,0,0|1,0,0]=3 9673 B13R1.150 NC(=O)COc1cccc(c1Br)Cl 7a_100012348804_100000187820 [0,2,0,0,0,0|1,0,0]=3 9674 B13R1.150 NC(=O)COc1cccc(c1Br)F 34a_100009820682_100000187820 [0,2,0,0,0,0|1,0,0]=3 9675 B13R1.150 NC(=O)COc1cccc(c1Br)F 7a_100009820682_100000187820 [0,2,0,0,0,0|1,0,0]=3 9676 B13R1.150 NC(=O)COc1cccc(c1Br)I 34a_100010187914_100000187820 [0,2,0,0,0,0|1,0,0]=3 9677 B13R1.150 NC(=O)COc1cccc(c1Br)I 7a_100010187914_100000187820 [0,2,0,0,0,0|1,0,0]=3 9678 B13R1.150 NC(=O)COc1cccc(c1Br)N 34a_100012183704_100000187820 [0,2,0,0,0,0|1,0,0]=3 9679 B13R1.150 NC(=O)COc1cccc(c1Br)N 7a_100012183704_100000187820 [0,2,0,0,0,0|1,0,0]=3 9680 B13R1.150 NC(=O)COc1cccc(c1Cl)Br 34a_100010187913_100000187820 [0,2,0,0,0,0|1,0,0]=3 9681 B13R1.150 NC(=O)COc1cccc(c1Cl)Br 7a_100010187913_100000187820 [0,2,0,0,0,0|1,0,0]=3 9682 B13R1.150 NC(=O)COc1cccc(c1Cl)Cl 34a_100000211076_100000187820 [0,2,0,0,0,0|1,0,0]=3 9683 B13R1.150 NC(=O)COc1cccc(c1Cl)Cl 7a_100000211076_100000187820 [0,2,0,0,0,0|1,0,0]=3 9684 B13R1.150 NC(=O)COc1cccc(c1Cl)F 34a_100000087408_100000187820 [0,2,0,0,0,0|1,0,0]=3 9685 B13R1.150 NC(=O)COc1cccc(c1Cl)F 7a_100000087408_100000187820 [0,2,0,0,0,0|1,0,0]=3 9686 B13R1.150 NC(=O)COc1cccc(c1Cl)I 34a_100000049636_100000187820 [0,2,0,0,0,0|1,0,0]=3 9687 B13R1.150 NC(=O)COc1cccc(c1Cl)I 7a_100000049636_100000187820 [0,2,0,0,0,0|1,0,0]=3 9688 B13R1.150 NC(=O)COc1cccc(c1Cl)N 34a_100012002038_100000187820 [0,2,0,0,0,0|1,0,0]=3 9689 B13R1.150 NC(=O)COc1cccc(c1Cl)N 7a_100012002038_100000187820 [0,2,0,0,0,0|1,0,0]=3 9690 B13R1.150 NC(=O)COc1cccc(c1F)Br 34a_100009817021_100000187820 [0,2,0,0,0,0|1,0,0]=3 9691 B13R1.150 NC(=O)COc1cccc(c1F)Br 7a_100009817021_100000187820 [0,2,0,0,0,0|1,0,0]=3 9692 B13R1.150 NC(=O)COc1cccc(c1F)Cl 34a_100000687438_100000187820 [0,2,0,0,0,0|1,0,0]=3 9693 B13R1.150 NC(=O)COc1cccc(c1F)Cl 7a_100000687438_100000187820 [0,2,0,0,0,0|1,0,0]=3 9694 B13R1.150 NC(=O)COc1cccc(c1F)F 34a_100000751161_100000187820 [0,2,0,0,0,0|1,0,0]=3 9695 B13R1.150 NC(=O)COc1cccc(c1F)F 7a_100000751161_100000187820 [0,2,0,0,0,0|1,0,0]=3 9696 B13R1.150 NC(=O)COc1cccc(c1I)Br 34a_100010187912_100000187820 [0,2,0,0,0,0|1,0,0]=3 9697 B13R1.150 NC(=O)COc1cccc(c1I)Br 7a_100010187912_100000187820 [0,2,0,0,0,0|1,0,0]=3 9698 B13R1.150 NC(=O)COc1cccc(c1I)Cl 34a_100000050174_100000187820 [0,2,0,0,0,0|1,0,0]=3 9699 B13R1.150 NC(=O)COc1cccc(c1I)Cl 7a_100000050174_100000187820 [0,2,0,0,0,0|1,0,0]=3 9700 B13R1.150 NC(=O)COc1cccc(c1I)F 34a_100000690913_100000187820 [0,2,0,0,0,0|1,0,0]=3 9701 B13R1.150 NC(=O)COc1cccc(c1I)F 7a_100000690913_100000187820 [0,2,0,0,0,0|1,0,0]=3 9702 B13R1.150 NC(=O)COc1cccc(c1N)Br 34a_100011934926_100000187820 [0,2,0,0,0,0|1,0,0]=3 9703 B13R1.150 NC(=O)COc1cccc(c1N)Br 7a_100011934926_100000187820 [0,2,0,0,0,0|1,0,0]=3 9704 B13R1.150 NC(=O)COc1cccc(c1N)Cl 34a_100012022510_100000187820 [0,2,0,0,0,0|1,0,0]=3 9705 B13R1.150 NC(=O)COc1cccc(c1N)Cl 7a_100012022510_100000187820 [0,2,0,0,0,0|1,0,0]=3 9706 B13R1.150 NC(=O)COc1cccc(c1N)F 34a_100020591140_100000187820 [0,2,0,0,0,0|1,0,0]=3 9707 B13R1.150 NC(=O)COc1cccc(c1N)F 7a_100020591140_100000187820 [0,2,0,0,0,0|1,0,0]=3 9708 B13R1.150 NC(=O)COc1cccc(c1N)I 34a_200000049512_100000187820 [0,2,0,0,0,0|1,0,0]=3 9709 B13R1.150 NC(=O)COc1cccc(c1N)I 7a_200000049512_100000187820 [0,2,0,0,0,0|1,0,0]=3 9710 B13R1.150 NC(=O)COc1cccc(c1N)N 34a_100000033209_100000187820 [0,2,0,0,0,0|1,0,0]=3 9711 B13R1.150 NC(=O)COc1ccnc(c1Br)Cl 34a_100010136240_100000187820 [0,2,0,0,0,0|2,0,0]=4 9712 B13R1.150 NC(=O)COc1ccnc(c1Cl)Cl 34a_100009860235_100000187820 [0,2,0,0,0,0|2,0,0]=4 9713 B13R1.150 NC(=O)COc1ccnc(c1F)Br 34a_100009876375_100000187820 [0,2,0,0,0,0|2,0,0]=4 9714 B13R1.150 NC(=O)COc1ccnc(c1F)Cl 34a_100009856406_100000187820 [0,2,0,0,0,0|2,0,0]=4 9715 B13R1.150 NC(=O)COc1ccnc(c1N)Cl 34a_100000128729_100000187820 [0,2,0,0,0,0|2,0,0]=4 9716 B13R1.150 NC(=O)COc1nccc(c1Cl)N 34a_200000093555_100000187820 [0,2,0,0,0,0|2,0,0]=4 9717 B13R1.150 NC(=O)CSc1cccc(c1Br)Br 62a_100000747473_100010175083 [0,2,0,0,0,0|1,1,0]=4 9718 B13R1.150 NC(=O)CSc1cccc(c1Br)Br 62a_100010175083_100000747473 [0,2,0,0,0,0|1,1,0]=4 9719 B13R1.150 NC(=O)CSc1cccc(c1Br)Cl 62a_100000747473_100014021842 [0,2,0,0,0,0|1,1,0]=4 9720 B13R1.150 NC(=O)CSc1cccc(c1Br)Cl 62a_100014021842_100000747473 [0,2,0,0,0,0|1,1,0]=4 9721 B13R1.150 NC(=O)CSc1cccc(c1Br)F 62a_100000747473_100010202630 [0,2,0,0,0,0|1,1,0]=4 9722 B13R1.150 NC(=O)CSc1cccc(c1Br)F 62a_100010202630_100000747473 [0,2,0,0,0,0|1,1,0]=4 9723 B13R1.150 NC(=O)CSc1cccc(c1Br)O 62a_100000747473_100010187914 [0,2,0,0,0,0|1,1,0]=4 9724 B13R1.150 NC(=O)CSc1cccc(c1Br)O 62a_100010187914_100000747473 [0,2,0,0,0,0|1,1,0]=4 9725 B13R1.150 NC(=O)CSc1cccc(c1Cl)Br 62a_100000747473_100010142854 [0,2,0,0,0,0|1,1,0]=4 9726 B13R1.150 NC(=O)CSc1cccc(c1Cl)Br 62a_100010142854_100000747473 [0,2,0,0,0,0|1,1,0]=4 9727 B13R1.150 NC(=O)CSc1cccc(c1Cl)Cl 62a_100000747473_100011215384 [0,2,0,0,0,0|1,1,0]=4 9728 B13R1.150 NC(=O)CSc1cccc(c1Cl)Cl 62a_100011215384_100000747473 [0,2,0,0,0,0|1,1,0]=4 9729 B13R1.150 NC(=O)CSc1cccc(c1Cl)F 62a_100000747473_200010234923 [0,2,0,0,0,0|1,1,0]=4 9730 B13R1.150 NC(=O)CSc1cccc(c1Cl)F 62a_200010234923_100000747473 [0,2,0,0,0,0|1,1,0]=4 9731 B13R1.150 NC(=O)CSc1cccc(c1Cl)O 62a_100000747473_100000049636 [0,2,0,0,0,0|1,1,0]=4 9732 B13R1.150 NC(=O)CSc1cccc(c1F)Br 62a_100000702267_100000747473 [0,2,0,0,0,0|1,1,0]=4 9733 B13R1.150 NC(=O)CSc1cccc(c1F)Br 62a_100000747473_100000702267 [0,2,0,0,0,0|1,1,0]=4 9734 B13R1.150 NC(=O)CSc1cccc(c1F)Cl 62a_100000747473_100011217346 [0,2,0,0,0,0|1,1,0]=4 9735 B13R1.150 NC(=O)CSc1cccc(c1F)Cl 62a_100011217346_100000747473 [0,2,0,0,0,0|1,1,0]=4 9736 B13R1.150 NC(=O)CSc1cccc(c1F)F 62a_100000694657_100000747473 [0,2,0,0,0,0|1,1,0]=4 9737 B13R1.150 NC(=O)CSc1cccc(c1F)F 62a_100000747473_100000694657 [0,2,0,0,0,0|1,1,0]=4 9738 B13R1.150 NC(=O)CSc1cccc(c1F)N 62a_100000747473_100011935091 [0,2,0,0,0,0|1,1,0]=4 9739 B13R1.150 NC(=O)CSc1cccc(c1F)N 62a_100011935091_100000747473 [0,2,0,0,0,0|1,1,0]=4 9740 B13R1.150 NC(=O)CSc1cccc(c1F)O 62a_100000747473_100009817021 [0,2,0,0,0,0|1,1,0]=4 9741 B13R1.150 NC(=O)CSc1cccc(c1F)O 62a_100009817021_100000747473 [0,2,0,0,0,0|1,1,0]=4 9742 B13R1.150 NC(=O)CSc1cccc(c1N)Br 62a_100000747473_100010146558 [0,2,0,0,0,0|1,1,0]=4 9743 B13R1.150 NC(=O)CSc1cccc(c1N)Br 62a_100010146558_100000747473 [0,2,0,0,0,0|1,1,0]=4 9744 B13R1.150 NC(=O)CSc1cccc(c1N)Cl 62a_100000747473_100010190421 [0,2,0,0,0,0|1,1,0]=4 9745 B13R1.150 NC(=O)CSc1cccc(c1N)Cl 62a_100010190421_100000747473 [0,2,0,0,0,0|1,1,0]=4 9746 B13R1.150 NC(=O)CSc1cccc(c1N)F 62a_100000042321_100000747473 [0,2,0,0,0,0|1,1,0]=4 9747 B13R1.150 NC(=O)CSc1cccc(c1N)F 62a_100000747473_100000042321 [0,2,0,0,0,0|1,1,0]=4 9748 B13R1.150 NC(=O)CSc1cccc(c1N)N 62a_100015191791_100000747473 [0,2,0,0,0,0|1,1,0]=4 9749 B13R1.150 NC(=O)CSc1cccc(c1N)O 62a_100000747473_100011934926 [0,2,0,0,0,0|1,1,0]=4 9750 B13R1.150 NC(=O)CSc1cccc(c1O)Br 62a_100000747473_100010084509 [0,2,0,0,0,0|1,1,0]=4 9751 B13R1.150 NC(=O)CSc1cccc(c1O)Br 62a_100010084509_100000747473 [0,2,0,0,0,0|1,1,0]=4 9752 B13R1.150 NC(=O)CSc1cccc(c1O)Cl 62a_100000747473_100010202889 [0,2,0,0,0,0|1,1,0]=4 9753 B13R1.150 NC(=O)CSc1cccc(c1O)Cl 62a_100010202889_100000747473 [0,2,0,0,0,0|1,1,0]=4 9754 B13R1.150 NC(=O)CSc1cccc(c1O)F 62a_100000747473_100009813666 [0,2,0,0,0,0|1,1,0]=4 9755 B13R1.150 NC(=O)CSc1cccc(c1O)F 62a_100009813666_100000747473 [0,2,0,0,0,0|1,1,0]=4 9756 B13R1.150 NC(=O)CSc1cccc(c1O)N 62a_100000747473_100010084371 [0,2,0,0,0,0|1,1,0]=4 9757 B13R1.150 NC(=O)CSc1cccc(c1O)N 62a_100011934915_100000747473 [0,2,0,0,0,0|1,1,0]=4 9758 B13R1.150 NC(=O)CSc1cccc(c1O)O 62a_100000747473_100009815950 [0,2,0,0,0,0|1,1,0]=4 9759 B13R1.150 Nc1c(cccc1OCC(=O)[O-])Br 34a_100011934926_100020667443 [0,2,0,0,0,0|0,0,1]=3 9760 B13R1.150 Nc1c(cccc1OCC(=O)[O-])Cl 34a_100012022510_100020667443 [0,2,0,0,0,0|0,0,1]=3 9761 B13R1.150 Nc1c(cccc1OCC(=O)[O-])F 34a_100020591140_100020667443 [0,2,0,0,0,0|0,0,1]=3 9762 B13R1.150 Nc1c(cccc1OCC(=O)[O-])I 34a_200000049512_100020667443 [0,2,0,0,0,0|0,0,1]=3 9763 B13R1.150 Nc1c(cccc1OC[N+](=O)[O-])Br 34a_100011934926_100000761209 [0,2,0,0,0,0|1,0,1]=4 9764 B13R1.150 Nc1c(cccc1OC[N+](=O)[O-])Cl 34a_100012022510_100000761209 [0,2,0,0,0,0|1,0,1]=4 9765 B13R1.150 Nc1c(cccc1OC[N+](=O)[O-])F 34a_100020591140_100000761209 [0,2,0,0,0,0|1,0,1]=4 9766 B13R1.150 Nc1c(cccc1OC[N+](=O)[O-])I 34a_200000049512_100000761209 [0,2,0,0,0,0|1,0,1]=4 9767 B13R1.150 Nc1c(cccc1SCC(=O)[O-])Br 62a_100010146558_100020667443 [0,2,0,0,0,0|0,1,1]=4 9768 B13R1.150 Nc1c(cccc1SCC(=O)[O-])Br 62a_100020667443_100010146558 [0,2,0,0,0,0|0,1,1]=4 9769 B13R1.150 Nc1c(cccc1SCC(=O)[O-])Cl 62a_100010190421_100020667443 [0,2,0,0,0,0|0,1,1]=4 9770 B13R1.150 Nc1c(cccc1SCC(=O)[O-])Cl 62a_100020667443_100010190421 [0,2,0,0,0,0|0,1,1]=4 9771 B13R1.150 Nc1c(cccc1SCC(=O)[O-])F 62a_100000042321_100020667443 [0,2,0,0,0,0|0,1,1]=4 9772 B13R1.150 Nc1c(cccc1SCC(=O)[O-])F 62a_100020667443_100000042321 [0,2,0,0,0,0|0,1,1]=4 9773 B13R1.150 Nc1c(cccc1SCC(=O)[O-])O 62a_100020667443_100011934926 [0,2,0,0,0,0|0,1,1]=4 9774 B13R1.150 Nc1c(ccnc1Cl)OCC(=O)[O-] 34a_100000128729_100020667443 [0,2,0,0,0,0|1,0,1]=4 9775 B13R1.150 Nc1cccc(c1Br)OCC(=O)[O-] 34a_100012183704_100020667443 [0,2,0,0,0,0|0,0,1]=3 9776 B13R1.150 Nc1cccc(c1Br)OC[N+](=O)[O-] 34a_100012183704_100000761209 [0,2,0,0,0,0|1,0,1]=4 9777 B13R1.150 Nc1cccc(c1Cl)OCC(=O)[O-] 34a_100012002038_100020667443 [0,2,0,0,0,0|0,0,1]=3 9778 B13R1.150 Nc1cccc(c1Cl)OC[N+](=O)[O-] 34a_100012002038_100000761209 [0,2,0,0,0,0|1,0,1]=4 9779 B13R1.150 Nc1cccc(c1F)SCC(=O)[O-] 62a_100011935091_100020667443 [0,2,0,0,0,0|0,1,1]=4 9780 B13R1.150 Nc1cccc(c1F)SCC(=O)[O-] 62a_100020667443_100011935091 [0,2,0,0,0,0|0,1,1]=4 9781 B13R1.150 Nc1cccc(c1N)OCC(=O)[O-] 34a_100000033209_100020667443 [0,2,0,0,0,0|0,0,1]=3 9782 B13R1.150 Nc1cccc(c1N)OC[N+](=O)[O-] 34a_100000033209_100000761209 [0,2,0,0,0,0|1,0,1]=4 9783 B13R1.150 Nc1cccc(c1N)SCC(=O)[O-] 62a_100015191791_100020667443 [0,2,0,0,0,0|0,1,1]=4 9784 B13R1.150 Nc1cccc(c1O)SCC(=O)[O-] 62a_100011934915_100020667443 [0,2,0,0,0,0|0,1,1]=4 9785 B13R1.150 Nc1cccc(c1O)SCC(=O)[O-] 62a_100020667443_100010084371 [0,2,0,0,0,0|0,1,1]=4 9786 B13R1.150 Nc1ccnc(c1Cl)OCC(=O)[O-] 34a_200000093555_100020667443 [0,2,0,0,0,0|1,0,1]=4 9787 B13R1.150 O=C([O-])CNc1cccc(c1Br)Cl 34a_100000687072_100020667443 [0,2,0,0,0,0|1,0,1]=4 9788 B13R1.150 O=C([O-])CNc1cccc(c1Br)F 34a_100011934729_100020667443 [0,2,0,0,0,0|1,0,1]=4 9789 B13R1.150 O=C([O-])CNc1cccc(c1Br)O 34a_100012183704_100020667443 [0,2,0,0,0,0|1,0,1]=4 9790 B13R1.150 O=C([O-])CNc1cccc(c1Cl)Br 34a_100000687075_100020667443 [0,2,0,0,0,0|1,0,1]=4 9791 B13R1.150 O=C([O-])CNc1cccc(c1Cl)Cl 34a_100000185733_100020667443 [0,2,0,0,0,0|1,0,1]=4 9792 B13R1.150 O=C([O-])CNc1cccc(c1Cl)F 34a_100000692321_100020667443 [0,2,0,0,0,0|1,0,1]=4 9793 B13R1.150 O=C([O-])CNc1cccc(c1Cl)O 34a_100012002038_100020667443 [0,2,0,0,0,0|1,0,1]=4 9794 B13R1.150 O=C([O-])CNc1cccc(c1F)Br 34a_100011935091_100020667443 [0,2,0,0,0,0|1,0,1]=4 9795 B13R1.150 O=C([O-])CNc1cccc(c1F)Cl 34a_100000199060_100020667443 [0,2,0,0,0,0|1,0,1]=4 9796 B13R1.150 O=C([O-])CNc1cccc(c1F)F 34a_100000743855_100020667443 [0,2,0,0,0,0|1,0,1]=4 9797 B13R1.150 O=C([O-])CNc1cccc(c1I)Br 34a_100020590159_100020667443 [0,2,0,0,0,0|1,0,1]=4 9798 B13R1.150 O=C([O-])CNc1cccc(c1I)Cl 34a_100000049713_100020667443 [0,2,0,0,0,0|1,0,1]=4 9799 B13R1.150 O=C([O-])CNc1cccc(c1I)F 34a_100000690935_100020667443 [0,2,0,0,0,0|1,0,1]=4 9800 B13R1.150 O=C([O-])CNc1cccc(c1O)Br 34a_100011934915_100020667443 [0,2,0,0,0,0|1,0,1]=4 9801 B13R1.150 O=C([O-])CNc1cccc(c1O)Cl 34a_100000754742_100020667443 [0,2,0,0,0,0|1,0,1]=4 9802 B13R1.150 O=C([O-])CNc1cccc(c1O)F 34a_100011934987_100020667443 [0,2,0,0,0,0|1,0,1]=4 9803 B13R1.150 O=C([O-])COc1cccc(c1Br)Br 34a_100010187966_100020667443 [0,2,0,0,0,0|0,0,1]=3 9804 B13R1.150 O=C([O-])COc1cccc(c1Br)Cl 34a_100012348804_100020667443 [0,2,0,0,0,0|0,0,1]=3 9805 B13R1.150 O=C([O-])COc1cccc(c1Br)F 34a_100009820682_100020667443 [0,2,0,0,0,0|0,0,1]=3 9806 B13R1.150 O=C([O-])COc1cccc(c1Br)I 34a_100010187914_100020667443 [0,2,0,0,0,0|0,0,1]=3 9807 B13R1.150 O=C([O-])COc1cccc(c1Cl)Br 34a_100010187913_100020667443 [0,2,0,0,0,0|0,0,1]=3 9808 B13R1.150 O=C([O-])COc1cccc(c1Cl)Cl 34a_100000211076_100020667443 [0,2,0,0,0,0|0,0,1]=3 9809 B13R1.150 O=C([O-])COc1cccc(c1Cl)F 34a_100000087408_100020667443 [0,2,0,0,0,0|0,0,1]=3 9810 B13R1.150 O=C([O-])COc1cccc(c1Cl)I 34a_100000049636_100020667443 [0,2,0,0,0,0|0,0,1]=3 9811 B13R1.150 O=C([O-])COc1cccc(c1F)Br 34a_100009817021_100020667443 [0,2,0,0,0,0|0,0,1]=3 9812 B13R1.150 O=C([O-])COc1cccc(c1F)Cl 34a_100000687438_100020667443 [0,2,0,0,0,0|0,0,1]=3 9813 B13R1.150 O=C([O-])COc1cccc(c1F)F 34a_100000751161_100020667443 [0,2,0,0,0,0|0,0,1]=3 9814 B13R1.150 O=C([O-])COc1cccc(c1I)Br 34a_100010187912_100020667443 [0,2,0,0,0,0|0,0,1]=3 9815 B13R1.150 O=C([O-])COc1cccc(c1I)Cl 34a_100000050174_100020667443 [0,2,0,0,0,0|0,0,1]=3 9816 B13R1.150 O=C([O-])COc1cccc(c1I)F 34a_100000690913_100020667443 [0,2,0,0,0,0|0,0,1]=3 9817 B13R1.150 O=C([O-])COc1ccnc(c1Br)Cl 34a_100010136240_100020667443 [0,2,0,0,0,0|1,0,1]=4 9818 B13R1.150 O=C([O-])COc1ccnc(c1Cl)Cl 34a_100009860235_100020667443 [0,2,0,0,0,0|1,0,1]=4 9819 B13R1.150 O=C([O-])COc1ccnc(c1F)Br 34a_100009876375_100020667443 [0,2,0,0,0,0|1,0,1]=4 9820 B13R1.150 O=C([O-])COc1ccnc(c1F)Cl 34a_100009856406_100020667443 [0,2,0,0,0,0|1,0,1]=4 9821 B13R1.150 O=C([O-])CSc1cccc(c1Br)Br 62a_100010175083_100020667443 [0,2,0,0,0,0|0,1,1]=4 9822 B13R1.150 O=C([O-])CSc1cccc(c1Br)Br 62a_100020667443_100010175083 [0,2,0,0,0,0|0,1,1]=4 9823 B13R1.150 O=C([O-])CSc1cccc(c1Br)Cl 62a_100014021842_100020667443 [0,2,0,0,0,0|0,1,1]=4 9824 B13R1.150 O=C([O-])CSc1cccc(c1Br)Cl 62a_100020667443_100014021842 [0,2,0,0,0,0|0,1,1]=4 9825 B13R1.150 O=C([O-])CSc1cccc(c1Br)F 62a_100010202630_100020667443 [0,2,0,0,0,0|0,1,1]=4 9826 B13R1.150 O=C([O-])CSc1cccc(c1Br)F 62a_100020667443_100010202630 [0,2,0,0,0,0|0,1,1]=4 9827 B13R1.150 O=C([O-])CSc1cccc(c1Br)O 62a_100010187914_100020667443 [0,2,0,0,0,0|0,1,1]=4 9828 B13R1.150 O=C([O-])CSc1cccc(c1Br)O 62a_100020667443_100010187914 [0,2,0,0,0,0|0,1,1]=4 9829 B13R1.150 O=C([O-])CSc1cccc(c1Cl)Br 62a_100010142854_100020667443 [0,2,0,0,0,0|0,1,1]=4 9830 B13R1.150 O=C([O-])CSc1cccc(c1Cl)Br 62a_100020667443_100010142854 [0,2,0,0,0,0|0,1,1]=4 9831 B13R1.150 O=C([O-])CSc1cccc(c1Cl)Cl 62a_100011215384_100020667443 [0,2,0,0,0,0|0,1,1]=4 9832 B13R1.150 O=C([O-])CSc1cccc(c1Cl)Cl 62a_100020667443_100011215384 [0,2,0,0,0,0|0,1,1]=4 9833 B13R1.150 O=C([O-])CSc1cccc(c1Cl)F 62a_100020667443_200010234923 [0,2,0,0,0,0|0,1,1]=4 9834 B13R1.150 O=C([O-])CSc1cccc(c1Cl)F 62a_200010234923_100020667443 [0,2,0,0,0,0|0,1,1]=4 9835 B13R1.150 O=C([O-])CSc1cccc(c1Cl)O 62a_100020667443_100000049636 [0,2,0,0,0,0|0,1,1]=4 9836 B13R1.150 O=C([O-])CSc1cccc(c1F)Br 62a_100000702267_100020667443 [0,2,0,0,0,0|0,1,1]=4 9837 B13R1.150 O=C([O-])CSc1cccc(c1F)Br 62a_100020667443_100000702267 [0,2,0,0,0,0|0,1,1]=4 9838 B13R1.150 O=C([O-])CSc1cccc(c1F)Cl 62a_100011217346_100020667443 [0,2,0,0,0,0|0,1,1]=4 9839 B13R1.150 O=C([O-])CSc1cccc(c1F)Cl 62a_100020667443_100011217346 [0,2,0,0,0,0|0,1,1]=4 9840 B13R1.150 O=C([O-])CSc1cccc(c1F)F 62a_100000694657_100020667443 [0,2,0,0,0,0|0,1,1]=4 9841 B13R1.150 O=C([O-])CSc1cccc(c1F)F 62a_100020667443_100000694657 [0,2,0,0,0,0|0,1,1]=4 9842 B13R1.150 O=C([O-])CSc1cccc(c1F)O 62a_100009817021_100020667443 [0,2,0,0,0,0|0,1,1]=4 9843 B13R1.150 O=C([O-])CSc1cccc(c1F)O 62a_100020667443_100009817021 [0,2,0,0,0,0|0,1,1]=4 9844 B13R1.150 O=C([O-])CSc1cccc(c1O)Br 62a_100010084509_100020667443 [0,2,0,0,0,0|0,1,1]=4 9845 B13R1.150 O=C([O-])CSc1cccc(c1O)Br 62a_100020667443_100010084509 [0,2,0,0,0,0|0,1,1]=4 9846 B13R1.150 O=C([O-])CSc1cccc(c1O)Cl 62a_100010202889_100020667443 [0,2,0,0,0,0|0,1,1]=4 9847 B13R1.150 O=C([O-])CSc1cccc(c1O)Cl 62a_100020667443_100010202889 [0,2,0,0,0,0|0,1,1]=4 9848 B13R1.150 O=C([O-])CSc1cccc(c1O)F 62a_100009813666_100020667443 [0,2,0,0,0,0|0,1,1]=4 9849 B13R1.150 O=C([O-])CSc1cccc(c1O)F 62a_100020667443_100009813666 [0,2,0,0,0,0|0,1,1]=4 9850 B13R1.150 O=C([O-])CSc1cccc(c1O)O 62a_100020667443_100009815950 [0,2,0,0,0,0|0,1,1]=4 9851 B13R1.150 O=[N+]([O-])COc1cccc(c1Br)Br 34a_100010187966_100000761209 [0,2,0,0,0,0|1,0,1]=4 9852 B13R1.150 O=[N+]([O-])COc1cccc(c1Br)Cl 34a_100012348804_100000761209 [0,2,0,0,0,0|1,0,1]=4 9853 B13R1.150 O=[N+]([O-])COc1cccc(c1Br)F 34a_100009820682_100000761209 [0,2,0,0,0,0|1,0,1]=4 9854 B13R1.150 O=[N+]([O-])COc1cccc(c1Br)I 34a_100010187914_100000761209 [0,2,0,0,0,0|1,0,1]=4 9855 B13R1.150 O=[N+]([O-])COc1cccc(c1Cl)Br 34a_100010187913_100000761209 [0,2,0,0,0,0|1,0,1]=4 9856 B13R1.150 O=[N+]([O-])COc1cccc(c1Cl)Cl 34a_100000211076_100000761209 [0,2,0,0,0,0|1,0,1]=4 9857 B13R1.150 O=[N+]([O-])COc1cccc(c1Cl)F 34a_100000087408_100000761209 [0,2,0,0,0,0|1,0,1]=4 9858 B13R1.150 O=[N+]([O-])COc1cccc(c1Cl)I 34a_100000049636_100000761209 [0,2,0,0,0,0|1,0,1]=4 9859 B13R1.150 O=[N+]([O-])COc1cccc(c1F)Br 34a_100009817021_100000761209 [0,2,0,0,0,0|1,0,1]=4 9860 B13R1.150 O=[N+]([O-])COc1cccc(c1F)Cl 34a_100000687438_100000761209 [0,2,0,0,0,0|1,0,1]=4 9861 B13R1.150 O=[N+]([O-])COc1cccc(c1F)F 34a_100000751161_100000761209 [0,2,0,0,0,0|1,0,1]=4 9862 B13R1.150 O=[N+]([O-])COc1cccc(c1I)Br 34a_100010187912_100000761209 [0,2,0,0,0,0|1,0,1]=4 9863 B13R1.150 O=[N+]([O-])COc1cccc(c1I)Cl 34a_100000050174_100000761209 [0,2,0,0,0,0|1,0,1]=4 9864 B13R1.150 O=[N+]([O-])COc1cccc(c1I)F 34a_100000690913_100000761209 [0,2,0,0,0,0|1,0,1]=4 9865 B13R1.150 [13CH3]C(=O)CCc1cccc(c1Cl)Cl 1458a_100000739359_200025704644 [0,2,0,0,0,0|2,0,0]=4 9866 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)Br 1458a_100012349569_200025704644 [0,2,0,0,0,0|2,0,0]=4 9867 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)Cl 1458a_100012349026_200025704644 [0,2,0,0,0,0|2,0,0]=4 9868 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)F 1458a_100000748811_200025704644 [0,2,0,0,0,0|2,0,0]=4 9869 B13R1.150 [13CH3]C(=O)CCc1cccc(c1O)O 1458a_100009873524_200025704644 [0,2,0,0,0,0|2,0,0]=4 9870 B13R1.150 [13CH3]C(=O)COc1cccc(c1Cl)Cl 1458a_100000191259_200025704644 [0,2,0,0,0,0|1,0,0]=3 9871 B13R1.157 CC(C)(O)COc1ccccc1Br 34a_100000181306_100000764493 [0,2,0,0,0,0|1,0,1]=4 9872 B13R1.157 CC(C)(O)COc1ccccc1Br 7a_100000181306_100000764493 [0,2,0,0,0,0|1,0,1]=4 9873 B13R1.157 CC(C)(O)COc1ccccc1Cl 34a_100000210172_100000764493 [0,2,0,0,0,0|1,0,1]=4 9874 B13R1.157 CC(C)(O)COc1ccccc1Cl 7a_100000210172_100000764493 [0,2,0,0,0,0|1,0,1]=4 9875 B13R1.157 CC(C)(O)COc1ccccc1F 34a_100000210171_100000764493 [0,2,0,0,0,0|1,0,1]=4 9876 B13R1.157 CC(C)(O)COc1ccccc1F 7a_100000210171_100000764493 [0,2,0,0,0,0|1,0,1]=4 9877 B13R1.157 CC(C)(O)COc1ccccc1I 34a_100000739446_100000764493 [0,2,0,0,0,0|1,0,1]=4 9878 B13R1.157 CC(C)(O)COc1ccccc1I 7a_100000739446_100000764493 [0,2,0,0,0,0|1,0,1]=4 9879 B13R1.157 CC(C)(O)COc1ccccc1N 34a_100000185747_100000764493 [0,2,0,0,0,0|1,0,1]=4 9880 B13R1.157 CC(C)(O)COc1ccccc1N 7a_100000185747_100000764493 [0,2,0,0,0,0|1,0,1]=4 9881 B13R1.157 Cc1ccccc1OCC(C)(C)O 34a_100000210338_100000764493 [0,2,0,0,0,0|1,0,1]=4 9882 B13R1.157 Cc1ccccc1OCC(C)(C)O 7a_100000210338_100000764493 [0,2,0,0,0,0|1,0,1]=4 9883 B13R1.157 Cc1ccccc1OCS(=O)(=O)[O-] 34a_100000210338_100009817235 [0,2,0,0,0,0|1,0,1]=4 9884 B13R1.157 Nc1ccccc1OCS(=O)(=O)[O-] 34a_100000185747_100009817235 [0,2,0,0,0,0|1,0,1]=4 9885 B13R1.157 O=S(=O)([O-])COc1ccccc1Br 34a_100000181306_100009817235 [0,2,0,0,0,0|1,0,1]=4 9886 B13R1.157 O=S(=O)([O-])COc1ccccc1Cl 34a_100000210172_100009817235 [0,2,0,0,0,0|1,0,1]=4 9887 B13R1.157 O=S(=O)([O-])COc1ccccc1F 34a_100000210171_100009817235 [0,2,0,0,0,0|1,0,1]=4 9888 B13R1.157 O=S(=O)([O-])COc1ccccc1I 34a_100000739446_100009817235 [0,2,0,0,0,0|1,0,1]=4 9889 B13R1.893 C=C(C)COc1cc(ccc1Br)Br 34a_100011220040_100000748629 [0,2,0,0,0,0|2,0,0]=4 9890 B13R1.893 C=C(C)COc1cc(ccc1Br)Br 7a_100011220040_100000748629 [0,2,0,0,0,0|2,0,0]=4 9891 B13R1.893 C=C(C)COc1cc(ccc1Br)C 34a_100012002257_100000748629 [0,2,0,0,0,0|2,0,0]=4 9892 B13R1.893 C=C(C)COc1cc(ccc1Br)C 7a_100012002257_100000748629 [0,2,0,0,0,0|2,0,0]=4 9893 B13R1.893 C=C(C)COc1cc(ccc1Br)Cl 34a_100012339455_100000748629 [0,2,0,0,0,0|2,0,0]=4 9894 B13R1.893 C=C(C)COc1cc(ccc1Br)Cl 7a_100012339455_100000748629 [0,2,0,0,0,0|2,0,0]=4 9895 B13R1.893 C=C(C)COc1cc(ccc1Br)F 34a_100000690578_100000748629 [0,2,0,0,0,0|2,0,0]=4 9896 B13R1.893 C=C(C)COc1cc(ccc1Br)F 7a_100000690578_100000748629 [0,2,0,0,0,0|2,0,0]=4 9897 B13R1.893 C=C(C)COc1cc(ccc1Br)I 34a_100012356990_100000748629 [0,2,0,0,0,0|2,0,0]=4 9898 B13R1.893 C=C(C)COc1cc(ccc1Br)I 7a_100012356990_100000748629 [0,2,0,0,0,0|2,0,0]=4 9899 B13R1.893 C=C(C)COc1cc(ccc1C)Br 34a_100000685420_100000748629 [0,2,0,0,0,0|2,0,0]=4 9900 B13R1.893 C=C(C)COc1cc(ccc1C)Br 7a_100000685420_100000748629 [0,2,0,0,0,0|2,0,0]=4 9901 B13R1.893 C=C(C)COc1cc(ccc1C)C 34a_100000210931_100000748629 [0,2,0,0,0,0|2,0,0]=4 9902 B13R1.893 C=C(C)COc1cc(ccc1C)C 7a_100000210931_100000748629 [0,2,0,0,0,0|2,0,0]=4 9903 B13R1.893 C=C(C)COc1cc(ccc1C)Cl 34a_100000756515_100000748629 [0,2,0,0,0,0|2,0,0]=4 9904 B13R1.893 C=C(C)COc1cc(ccc1C)Cl 7a_100000756515_100000748629 [0,2,0,0,0,0|2,0,0]=4 9905 B13R1.893 C=C(C)COc1cc(ccc1C)F 34a_100000690566_100000748629 [0,2,0,0,0,0|2,0,0]=4 9906 B13R1.893 C=C(C)COc1cc(ccc1C)F 7a_100000690566_100000748629 [0,2,0,0,0,0|2,0,0]=4 9907 B13R1.893 C=C(C)COc1cc(ccc1C)I 7a_100000766334_100000748629 [0,2,0,0,0,0|2,0,0]=4 9908 B13R1.893 C=C(C)COc1cc(ccc1C)N 34a_100000759471_100000748629 [0,2,0,0,0,0|2,0,0]=4 9909 B13R1.893 C=C(C)COc1cc(ccc1C)N 7a_100000759471_100000748629 [0,2,0,0,0,0|2,0,0]=4 9910 B13R1.893 C=C(C)COc1cc(ccc1Cl)Br 34a_100000738945_100000748629 [0,2,0,0,0,0|2,0,0]=4 9911 B13R1.893 C=C(C)COc1cc(ccc1Cl)Br 7a_100000738945_100000748629 [0,2,0,0,0,0|2,0,0]=4 9912 B13R1.893 C=C(C)COc1cc(ccc1Cl)C 34a_100000211493_100000748629 [0,2,0,0,0,0|2,0,0]=4 9913 B13R1.893 C=C(C)COc1cc(ccc1Cl)C 7a_100000211493_100000748629 [0,2,0,0,0,0|2,0,0]=4 9914 B13R1.893 C=C(C)COc1cc(ccc1Cl)Cl 34a_100000211422_100000748629 [0,2,0,0,0,0|2,0,0]=4 9915 B13R1.893 C=C(C)COc1cc(ccc1Cl)Cl 7a_100000211422_100000748629 [0,2,0,0,0,0|2,0,0]=4 9916 B13R1.893 C=C(C)COc1cc(ccc1Cl)F 34a_100000692107_100000748629 [0,2,0,0,0,0|2,0,0]=4 9917 B13R1.893 C=C(C)COc1cc(ccc1Cl)F 7a_100000692107_100000748629 [0,2,0,0,0,0|2,0,0]=4 9918 B13R1.893 C=C(C)COc1cc(ccc1Cl)I 34a_100011356854_100000748629 [0,2,0,0,0,0|2,0,0]=4 9919 B13R1.893 C=C(C)COc1cc(ccc1Cl)I 7a_100011356854_100000748629 [0,2,0,0,0,0|2,0,0]=4 9920 B13R1.893 C=C(C)COc1cc(ccc1Cl)N 34a_100011934209_100000748629 [0,2,0,0,0,0|2,0,0]=4 9921 B13R1.893 C=C(C)COc1cc(ccc1F)Br 34a_100000686035_100000748629 [0,2,0,0,0,0|2,0,0]=4 9922 B13R1.893 C=C(C)COc1cc(ccc1F)Br 7a_100000686035_100000748629 [0,2,0,0,0,0|2,0,0]=4 9923 B13R1.893 C=C(C)COc1cc(ccc1F)C 34a_100000759540_100000748629 [0,2,0,0,0,0|2,0,0]=4 9924 B13R1.893 C=C(C)COc1cc(ccc1F)C 7a_100000759540_100000748629 [0,2,0,0,0,0|2,0,0]=4 9925 B13R1.893 C=C(C)COc1cc(ccc1F)Cl 34a_100000757397_100000748629 [0,2,0,0,0,0|2,0,0]=4 9926 B13R1.893 C=C(C)COc1cc(ccc1F)Cl 7a_100000757397_100000748629 [0,2,0,0,0,0|2,0,0]=4 9927 B13R1.893 C=C(C)COc1cc(ccc1F)F 34a_100000752141_100000748629 [0,2,0,0,0,0|2,0,0]=4 9928 B13R1.893 C=C(C)COc1cc(ccc1F)F 7a_100000752141_100000748629 [0,2,0,0,0,0|2,0,0]=4 9929 B13R1.893 C=C(C)COc1cc(ccc1F)I 34a_100009958187_100000748629 [0,2,0,0,0,0|2,0,0]=4 9930 B13R1.893 C=C(C)COc1cc(ccc1F)I 7a_100009958187_100000748629 [0,2,0,0,0,0|2,0,0]=4 9931 B13R1.893 C=C(C)COc1cc(ccc1F)N 34a_100012017398_100000748629 [0,2,0,0,0,0|2,0,0]=4 9932 B13R1.893 C=C(C)COc1cc(ccc1F)N 7a_100012017398_100000748629 [0,2,0,0,0,0|2,0,0]=4 9933 B13R1.893 C=C(C)COc1cc(ccc1I)Br 34a_100012344904_100000748629 [0,2,0,0,0,0|2,0,0]=4 9934 B13R1.893 C=C(C)COc1cc(ccc1I)Br 7a_100012344904_100000748629 [0,2,0,0,0,0|2,0,0]=4 9935 B13R1.893 C=C(C)COc1cc(ccc1I)Cl 34a_100000050036_100000748629 [0,2,0,0,0,0|2,0,0]=4 9936 B13R1.893 C=C(C)COc1cc(ccc1I)Cl 7a_100000050036_100000748629 [0,2,0,0,0,0|2,0,0]=4 9937 B13R1.893 C=C(C)COc1cc(ccc1I)F 34a_100010084537_100000748629 [0,2,0,0,0,0|2,0,0]=4 9938 B13R1.893 C=C(C)COc1cc(ccc1I)F 7a_100010084537_100000748629 [0,2,0,0,0,0|2,0,0]=4 9939 B13R1.893 C=C(C)COc1cc(ccc1N)Br 34a_100000739049_100000748629 [0,2,0,0,0,0|2,0,0]=4 9940 B13R1.893 C=C(C)COc1cc(ccc1N)Br 7a_100000739049_100000748629 [0,2,0,0,0,0|2,0,0]=4 9941 B13R1.893 C=C(C)COc1cc(ccc1N)C 34a_100000211527_100000748629 [0,2,0,0,0,0|2,0,0]=4 9942 B13R1.893 C=C(C)COc1cc(ccc1N)C 7a_100000211527_100000748629 [0,2,0,0,0,0|2,0,0]=4 9943 B13R1.893 C=C(C)COc1cc(ccc1N)Cl 34a_100000185728_100000748629 [0,2,0,0,0,0|2,0,0]=4 9944 B13R1.893 C=C(C)COc1cc(ccc1N)Cl 7a_100000185728_100000748629 [0,2,0,0,0,0|2,0,0]=4 9945 B13R1.893 C=C(C)COc1cc(ccc1N)F 34a_100000753323_100000748629 [0,2,0,0,0,0|2,0,0]=4 9946 B13R1.893 C=C(C)COc1cc(ccc1N)F 7a_100000753323_100000748629 [0,2,0,0,0,0|2,0,0]=4 9947 B13R1.893 C=C(C)COc1cc(ccc1N)I 34a_100000057187_100000748629 [0,2,0,0,0,0|2,0,0]=4 9948 B13R1.893 C=C(C)COc1cc(ccc1N)I 7a_100000057187_100000748629 [0,2,0,0,0,0|2,0,0]=4 9949 B13R1.893 C=C(C)COc1cc(ccc1N)N 34a_100025717382_100000748629 [0,2,0,0,0,0|2,0,0]=4 9950 B13R1.893 C=C(F)COc1cc(ccc1Br)Br 34a_100011220040_100009893438 [0,2,0,0,0,0|2,0,0]=4 9951 B13R1.893 C=C(F)COc1cc(ccc1Br)Br 7a_100011220040_100000042424 [0,2,0,0,0,0|2,0,0]=4 9952 B13R1.893 C=C(F)COc1cc(ccc1Br)C 34a_100012002257_100009893438 [0,2,0,0,0,0|2,0,0]=4 9953 B13R1.893 C=C(F)COc1cc(ccc1Br)C 7a_100012002257_100000042424 [0,2,0,0,0,0|2,0,0]=4 9954 B13R1.893 C=C(F)COc1cc(ccc1Br)Cl 34a_100012339455_100009893438 [0,2,0,0,0,0|2,0,0]=4 9955 B13R1.893 C=C(F)COc1cc(ccc1Br)Cl 7a_100012339455_100000042424 [0,2,0,0,0,0|2,0,0]=4 9956 B13R1.893 C=C(F)COc1cc(ccc1Br)F 34a_100000690578_100009893438 [0,2,0,0,0,0|2,0,0]=4 9957 B13R1.893 C=C(F)COc1cc(ccc1Br)F 7a_100000690578_100000042424 [0,2,0,0,0,0|2,0,0]=4 9958 B13R1.893 C=C(F)COc1cc(ccc1Br)I 34a_100012356990_100009893438 [0,2,0,0,0,0|2,0,0]=4 9959 B13R1.893 C=C(F)COc1cc(ccc1Br)I 7a_100012356990_100000042424 [0,2,0,0,0,0|2,0,0]=4 9960 B13R1.893 C=C(F)COc1cc(ccc1C)Br 34a_100000685420_100009893438 [0,2,0,0,0,0|2,0,0]=4 9961 B13R1.893 C=C(F)COc1cc(ccc1C)Br 7a_100000685420_100000042424 [0,2,0,0,0,0|2,0,0]=4 9962 B13R1.893 C=C(F)COc1cc(ccc1C)C 34a_100000210931_100009893438 [0,2,0,0,0,0|2,0,0]=4 9963 B13R1.893 C=C(F)COc1cc(ccc1C)C 7a_100000210931_100000042424 [0,2,0,0,0,0|2,0,0]=4 9964 B13R1.893 C=C(F)COc1cc(ccc1C)Cl 34a_100000756515_100009893438 [0,2,0,0,0,0|2,0,0]=4 9965 B13R1.893 C=C(F)COc1cc(ccc1C)Cl 7a_100000756515_100000042424 [0,2,0,0,0,0|2,0,0]=4 9966 B13R1.893 C=C(F)COc1cc(ccc1C)F 34a_100000690566_100009893438 [0,2,0,0,0,0|2,0,0]=4 9967 B13R1.893 C=C(F)COc1cc(ccc1C)F 7a_100000690566_100000042424 [0,2,0,0,0,0|2,0,0]=4 9968 B13R1.893 C=C(F)COc1cc(ccc1C)I 7a_100000766334_100000042424 [0,2,0,0,0,0|2,0,0]=4 9969 B13R1.893 C=C(F)COc1cc(ccc1C)N 34a_100000759471_100009893438 [0,2,0,0,0,0|2,0,0]=4 9970 B13R1.893 C=C(F)COc1cc(ccc1C)N 7a_100000759471_100000042424 [0,2,0,0,0,0|2,0,0]=4 9971 B13R1.893 C=C(F)COc1cc(ccc1Cl)Br 34a_100000738945_100009893438 [0,2,0,0,0,0|2,0,0]=4 9972 B13R1.893 C=C(F)COc1cc(ccc1Cl)Br 7a_100000738945_100000042424 [0,2,0,0,0,0|2,0,0]=4 9973 B13R1.893 C=C(F)COc1cc(ccc1Cl)C 34a_100000211493_100009893438 [0,2,0,0,0,0|2,0,0]=4 9974 B13R1.893 C=C(F)COc1cc(ccc1Cl)C 7a_100000211493_100000042424 [0,2,0,0,0,0|2,0,0]=4 9975 B13R1.893 C=C(F)COc1cc(ccc1Cl)Cl 34a_100000211422_100009893438 [0,2,0,0,0,0|2,0,0]=4 9976 B13R1.893 C=C(F)COc1cc(ccc1Cl)Cl 7a_100000211422_100000042424 [0,2,0,0,0,0|2,0,0]=4 9977 B13R1.893 C=C(F)COc1cc(ccc1Cl)F 34a_100000692107_100009893438 [0,2,0,0,0,0|2,0,0]=4 9978 B13R1.893 C=C(F)COc1cc(ccc1Cl)F 7a_100000692107_100000042424 [0,2,0,0,0,0|2,0,0]=4 9979 B13R1.893 C=C(F)COc1cc(ccc1Cl)I 34a_100011356854_100009893438 [0,2,0,0,0,0|2,0,0]=4 9980 B13R1.893 C=C(F)COc1cc(ccc1Cl)I 7a_100011356854_100000042424 [0,2,0,0,0,0|2,0,0]=4 9981 B13R1.893 C=C(F)COc1cc(ccc1Cl)N 34a_100011934209_100009893438 [0,2,0,0,0,0|2,0,0]=4 9982 B13R1.893 C=C(F)COc1cc(ccc1F)Br 34a_100000686035_100009893438 [0,2,0,0,0,0|2,0,0]=4 9983 B13R1.893 C=C(F)COc1cc(ccc1F)Br 7a_100000686035_100000042424 [0,2,0,0,0,0|2,0,0]=4 9984 B13R1.893 C=C(F)COc1cc(ccc1F)C 34a_100000759540_100009893438 [0,2,0,0,0,0|2,0,0]=4 9985 B13R1.893 C=C(F)COc1cc(ccc1F)C 7a_100000759540_100000042424 [0,2,0,0,0,0|2,0,0]=4 9986 B13R1.893 C=C(F)COc1cc(ccc1F)Cl 34a_100000757397_100009893438 [0,2,0,0,0,0|2,0,0]=4 9987 B13R1.893 C=C(F)COc1cc(ccc1F)Cl 7a_100000757397_100000042424 [0,2,0,0,0,0|2,0,0]=4 9988 B13R1.893 C=C(F)COc1cc(ccc1F)F 34a_100000752141_100009893438 [0,2,0,0,0,0|2,0,0]=4 9989 B13R1.893 C=C(F)COc1cc(ccc1F)F 7a_100000752141_100000042424 [0,2,0,0,0,0|2,0,0]=4 9990 B13R1.893 C=C(F)COc1cc(ccc1F)I 34a_100009958187_100009893438 [0,2,0,0,0,0|2,0,0]=4 9991 B13R1.893 C=C(F)COc1cc(ccc1F)I 7a_100009958187_100000042424 [0,2,0,0,0,0|2,0,0]=4 9992 B13R1.893 C=C(F)COc1cc(ccc1F)N 34a_100012017398_100009893438 [0,2,0,0,0,0|2,0,0]=4 9993 B13R1.893 C=C(F)COc1cc(ccc1F)N 7a_100012017398_100000042424 [0,2,0,0,0,0|2,0,0]=4 9994 B13R1.893 C=C(F)COc1cc(ccc1I)Br 34a_100012344904_100009893438 [0,2,0,0,0,0|2,0,0]=4 9995 B13R1.893 C=C(F)COc1cc(ccc1I)Br 7a_100012344904_100000042424 [0,2,0,0,0,0|2,0,0]=4 9996 B13R1.893 C=C(F)COc1cc(ccc1I)Cl 34a_100000050036_100009893438 [0,2,0,0,0,0|2,0,0]=4 9997 B13R1.893 C=C(F)COc1cc(ccc1I)Cl 7a_100000050036_100000042424 [0,2,0,0,0,0|2,0,0]=4 9998 B13R1.893 C=C(F)COc1cc(ccc1I)F 34a_100010084537_100009893438 [0,2,0,0,0,0|2,0,0]=4 9999 B13R1.893 C=C(F)COc1cc(ccc1I)F 7a_100010084537_100000042424 [0,2,0,0,0,0|2,0,0]=4 10000 B13R1.893 C=C(F)COc1cc(ccc1N)Br 34a_100000739049_100009893438 [0,2,0,0,0,0|2,0,0]=4 10001 B13R1.893 C=C(F)COc1cc(ccc1N)Br 7a_100000739049_100000042424 [0,2,0,0,0,0|2,0,0]=4 10002 B13R1.893 C=C(F)COc1cc(ccc1N)C 34a_100000211527_100009893438 [0,2,0,0,0,0|2,0,0]=4 10003 B13R1.893 C=C(F)COc1cc(ccc1N)C 7a_100000211527_100000042424 [0,2,0,0,0,0|2,0,0]=4 10004 B13R1.893 C=C(F)COc1cc(ccc1N)Cl 34a_100000185728_100009893438 [0,2,0,0,0,0|2,0,0]=4 10005 B13R1.893 C=C(F)COc1cc(ccc1N)Cl 7a_100000185728_100000042424 [0,2,0,0,0,0|2,0,0]=4 10006 B13R1.893 C=C(F)COc1cc(ccc1N)F 34a_100000753323_100009893438 [0,2,0,0,0,0|2,0,0]=4 10007 B13R1.893 C=C(F)COc1cc(ccc1N)F 7a_100000753323_100000042424 [0,2,0,0,0,0|2,0,0]=4 10008 B13R1.893 C=C(F)COc1cc(ccc1N)I 34a_100000057187_100009893438 [0,2,0,0,0,0|2,0,0]=4 10009 B13R1.893 C=C(F)COc1cc(ccc1N)I 7a_100000057187_100000042424 [0,2,0,0,0,0|2,0,0]=4 10010 B13R1.893 C=C(F)COc1cc(ccc1N)N 34a_100025717382_100009893438 [0,2,0,0,0,0|2,0,0]=4 10011 B13R1.893 CC(=O)CCc1cc(ccc1Br)F 1458a_100000685340_200000210301 [0,2,0,0,0,0|2,0,0]=4 10012 B13R1.893 CC(=O)CCc1cc(ccc1C)C 1458a_100011485725_200000210301 [0,2,0,0,0,0|2,0,0]=4 10013 B13R1.893 CC(=O)CCc1cc(ccc1C)F 1458a_100011830270_200000210301 [0,2,0,0,0,0|2,0,0]=4 10014 B13R1.893 CC(=O)CCc1cc(ccc1Cl)Br 1458a_100010145785_200000210301 [0,2,0,0,0,0|2,0,0]=4 10015 B13R1.893 CC(=O)CCc1cc(ccc1Cl)Cl 1458a_200012258936_200000210301 [0,2,0,0,0,0|2,0,0]=4 10016 B13R1.893 CC(=O)CCc1cc(ccc1Cl)F 1458a_100012357546_200000210301 [0,2,0,0,0,0|2,0,0]=4 10017 B13R1.893 CC(=O)CCc1cc(ccc1F)Br 1458a_100000694007_200000210301 [0,2,0,0,0,0|2,0,0]=4 10018 B13R1.893 CC(=O)CCc1cc(ccc1F)C 1458a_100011934859_200000210301 [0,2,0,0,0,0|2,0,0]=4 10019 B13R1.893 CC(=O)CCc1cc(ccc1F)Cl 1458a_200012349660_200000210301 [0,2,0,0,0,0|2,0,0]=4 10020 B13R1.893 CC(=O)CCc1cc(ccc1F)F 1458a_100000070787_100011755056 [0,2,0,0,0,0|2,0,0]=4 10021 B13R1.893 CC(=O)CCc1cc(ccc1F)F 1458a_100000744313_200000210301 [0,2,0,0,0,0|2,0,0]=4 10022 B13R1.893 CC(=O)COc1cc(ccc1Br)Cl 1458a_100015481456_200000210301 [0,2,0,0,0,0|1,0,0]=3 10023 B13R1.893 CC(=O)COc1cc(ccc1C)C 1458a_100000182428_200000210301 [0,2,0,0,0,0|1,0,0]=3 10024 B13R1.893 CC(=O)COc1cc(ccc1Cl)C 1458a_100000183693_200000210301 [0,2,0,0,0,0|1,0,0]=3 10025 B13R1.893 CC(=O)COc1cc(ccc1Cl)Cl 1458a_100000187393_200000210301 [0,2,0,0,0,0|1,0,0]=3 10026 B13R1.893 CC(=O)COc1cc(ccc1F)F 1458a_100000752474_200000210301 [0,2,0,0,0,0|1,0,0]=3 10027 B13R1.893 CC(=O)CSc1cc(ccc1Cl)Cl 1458a_100000179523_200000210301 [0,2,0,0,0,0|1,1,0]=4 10028 B13R1.893 CC(O)COc1cc(ccc1Br)Br 34a_100011220040_100011218427 [0,2,0,0,0,0|1,0,1]=4 10029 B13R1.893 CC(O)COc1cc(ccc1Br)Br 7a_100011220040_100011218427 [0,2,0,0,0,0|1,0,1]=4 10030 B13R1.893 CC(O)COc1cc(ccc1Br)Cl 34a_100012339455_100011218427 [0,2,0,0,0,0|1,0,1]=4 10031 B13R1.893 CC(O)COc1cc(ccc1Br)Cl 7a_100012339455_100011218427 [0,2,0,0,0,0|1,0,1]=4 10032 B13R1.893 CC(O)COc1cc(ccc1Br)F 34a_100000690578_100011218427 [0,2,0,0,0,0|1,0,1]=4 10033 B13R1.893 CC(O)COc1cc(ccc1Br)F 7a_100000690578_100011218427 [0,2,0,0,0,0|1,0,1]=4 10034 B13R1.893 CC(O)COc1cc(ccc1Br)I 34a_100012356990_100011218427 [0,2,0,0,0,0|1,0,1]=4 10035 B13R1.893 CC(O)COc1cc(ccc1Br)I 7a_100012356990_100011218427 [0,2,0,0,0,0|1,0,1]=4 10036 B13R1.893 CC(O)COc1cc(ccc1Cl)Br 34a_100000738945_100011218427 [0,2,0,0,0,0|1,0,1]=4 10037 B13R1.893 CC(O)COc1cc(ccc1Cl)Br 7a_100000738945_100011218427 [0,2,0,0,0,0|1,0,1]=4 10038 B13R1.893 CC(O)COc1cc(ccc1Cl)Cl 34a_100000211422_100011218427 [0,2,0,0,0,0|1,0,1]=4 10039 B13R1.893 CC(O)COc1cc(ccc1Cl)Cl 7a_100000211422_100011218427 [0,2,0,0,0,0|1,0,1]=4 10040 B13R1.893 CC(O)COc1cc(ccc1Cl)F 34a_100000692107_100011218427 [0,2,0,0,0,0|1,0,1]=4 10041 B13R1.893 CC(O)COc1cc(ccc1Cl)F 7a_100000692107_100011218427 [0,2,0,0,0,0|1,0,1]=4 10042 B13R1.893 CC(O)COc1cc(ccc1Cl)I 34a_100011356854_100011218427 [0,2,0,0,0,0|1,0,1]=4 10043 B13R1.893 CC(O)COc1cc(ccc1Cl)I 7a_100011356854_100011218427 [0,2,0,0,0,0|1,0,1]=4 10044 B13R1.893 CC(O)COc1cc(ccc1Cl)N 34a_100011934209_100011218427 [0,2,0,0,0,0|1,0,1]=4 10045 B13R1.893 CC(O)COc1cc(ccc1F)Br 34a_100000686035_100011218427 [0,2,0,0,0,0|1,0,1]=4 10046 B13R1.893 CC(O)COc1cc(ccc1F)Br 7a_100000686035_100011218427 [0,2,0,0,0,0|1,0,1]=4 10047 B13R1.893 CC(O)COc1cc(ccc1F)Cl 34a_100000757397_100011218427 [0,2,0,0,0,0|1,0,1]=4 10048 B13R1.893 CC(O)COc1cc(ccc1F)Cl 7a_100000757397_100011218427 [0,2,0,0,0,0|1,0,1]=4 10049 B13R1.893 CC(O)COc1cc(ccc1F)F 34a_100000752141_100011218427 [0,2,0,0,0,0|1,0,1]=4 10050 B13R1.893 CC(O)COc1cc(ccc1F)F 7a_100000752141_100011218427 [0,2,0,0,0,0|1,0,1]=4 10051 B13R1.893 CC(O)COc1cc(ccc1F)I 34a_100009958187_100011218427 [0,2,0,0,0,0|1,0,1]=4 10052 B13R1.893 CC(O)COc1cc(ccc1F)I 7a_100009958187_100011218427 [0,2,0,0,0,0|1,0,1]=4 10053 B13R1.893 CC(O)COc1cc(ccc1F)N 34a_100012017398_100011218427 [0,2,0,0,0,0|1,0,1]=4 10054 B13R1.893 CC(O)COc1cc(ccc1F)N 7a_100012017398_100011218427 [0,2,0,0,0,0|1,0,1]=4 10055 B13R1.893 CC(O)COc1cc(ccc1I)Br 34a_100012344904_100011218427 [0,2,0,0,0,0|1,0,1]=4 10056 B13R1.893 CC(O)COc1cc(ccc1I)Br 7a_100012344904_100011218427 [0,2,0,0,0,0|1,0,1]=4 10057 B13R1.893 CC(O)COc1cc(ccc1I)Cl 34a_100000050036_100011218427 [0,2,0,0,0,0|1,0,1]=4 10058 B13R1.893 CC(O)COc1cc(ccc1I)Cl 7a_100000050036_100011218427 [0,2,0,0,0,0|1,0,1]=4 10059 B13R1.893 CC(O)COc1cc(ccc1I)F 34a_100010084537_100011218427 [0,2,0,0,0,0|1,0,1]=4 10060 B13R1.893 CC(O)COc1cc(ccc1I)F 7a_100010084537_100011218427 [0,2,0,0,0,0|1,0,1]=4 10061 B13R1.893 CC(O)COc1cc(ccc1N)Br 34a_100000739049_100011218427 [0,2,0,0,0,0|1,0,1]=4 10062 B13R1.893 CC(O)COc1cc(ccc1N)Br 7a_100000739049_100011218427 [0,2,0,0,0,0|1,0,1]=4 10063 B13R1.893 CC(O)COc1cc(ccc1N)Cl 34a_100000185728_100011218427 [0,2,0,0,0,0|1,0,1]=4 10064 B13R1.893 CC(O)COc1cc(ccc1N)Cl 7a_100000185728_100011218427 [0,2,0,0,0,0|1,0,1]=4 10065 B13R1.893 CC(O)COc1cc(ccc1N)F 34a_100000753323_100011218427 [0,2,0,0,0,0|1,0,1]=4 10066 B13R1.893 CC(O)COc1cc(ccc1N)F 7a_100000753323_100011218427 [0,2,0,0,0,0|1,0,1]=4 10067 B13R1.893 CC(O)COc1cc(ccc1N)I 34a_100000057187_100011218427 [0,2,0,0,0,0|1,0,1]=4 10068 B13R1.893 CC(O)COc1cc(ccc1N)I 7a_100000057187_100011218427 [0,2,0,0,0,0|1,0,1]=4 10069 B13R1.893 CC(O)COc1cc(ccc1N)N 34a_100025717382_100011218427 [0,2,0,0,0,0|1,0,1]=4 10070 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)Br 34a_100011220040_100009817552 [0,2,0,0,0,0|1,0,1]=4 10071 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)Br 7a_100011220040_100009817552 [0,2,0,0,0,0|1,0,1]=4 10072 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)Cl 34a_100012339455_100009817552 [0,2,0,0,0,0|1,0,1]=4 10073 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)Cl 7a_100012339455_100009817552 [0,2,0,0,0,0|1,0,1]=4 10074 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)F 34a_100000690578_100009817552 [0,2,0,0,0,0|1,0,1]=4 10075 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)F 7a_100000690578_100009817552 [0,2,0,0,0,0|1,0,1]=4 10076 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)I 34a_100012356990_100009817552 [0,2,0,0,0,0|1,0,1]=4 10077 B13R1.893 C[C@@H](O)COc1cc(ccc1Br)I 7a_100012356990_100009817552 [0,2,0,0,0,0|1,0,1]=4 10078 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)Br 34a_100000738945_100009817552 [0,2,0,0,0,0|1,0,1]=4 10079 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)Br 7a_100000738945_100009817552 [0,2,0,0,0,0|1,0,1]=4 10080 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)Cl 34a_100000211422_100009817552 [0,2,0,0,0,0|1,0,1]=4 10081 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)Cl 7a_100000211422_100009817552 [0,2,0,0,0,0|1,0,1]=4 10082 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)F 34a_100000692107_100009817552 [0,2,0,0,0,0|1,0,1]=4 10083 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)F 7a_100000692107_100009817552 [0,2,0,0,0,0|1,0,1]=4 10084 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)I 34a_100011356854_100009817552 [0,2,0,0,0,0|1,0,1]=4 10085 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)I 7a_100011356854_100009817552 [0,2,0,0,0,0|1,0,1]=4 10086 B13R1.893 C[C@@H](O)COc1cc(ccc1Cl)N 34a_100011934209_100009817552 [0,2,0,0,0,0|1,0,1]=4 10087 B13R1.893 C[C@@H](O)COc1cc(ccc1F)Br 34a_100000686035_100009817552 [0,2,0,0,0,0|1,0,1]=4 10088 B13R1.893 C[C@@H](O)COc1cc(ccc1F)Br 7a_100000686035_100009817552 [0,2,0,0,0,0|1,0,1]=4 10089 B13R1.893 C[C@@H](O)COc1cc(ccc1F)Cl 34a_100000757397_100009817552 [0,2,0,0,0,0|1,0,1]=4 10090 B13R1.893 C[C@@H](O)COc1cc(ccc1F)Cl 7a_100000757397_100009817552 [0,2,0,0,0,0|1,0,1]=4 10091 B13R1.893 C[C@@H](O)COc1cc(ccc1F)F 34a_100000752141_100009817552 [0,2,0,0,0,0|1,0,1]=4 10092 B13R1.893 C[C@@H](O)COc1cc(ccc1F)F 7a_100000752141_100009817552 [0,2,0,0,0,0|1,0,1]=4 10093 B13R1.893 C[C@@H](O)COc1cc(ccc1F)I 34a_100009958187_100009817552 [0,2,0,0,0,0|1,0,1]=4 10094 B13R1.893 C[C@@H](O)COc1cc(ccc1F)I 7a_100009958187_100009817552 [0,2,0,0,0,0|1,0,1]=4 10095 B13R1.893 C[C@@H](O)COc1cc(ccc1F)N 34a_100012017398_100009817552 [0,2,0,0,0,0|1,0,1]=4 10096 B13R1.893 C[C@@H](O)COc1cc(ccc1F)N 7a_100012017398_100009817552 [0,2,0,0,0,0|1,0,1]=4 10097 B13R1.893 C[C@@H](O)COc1cc(ccc1I)Br 34a_100012344904_100009817552 [0,2,0,0,0,0|1,0,1]=4 10098 B13R1.893 C[C@@H](O)COc1cc(ccc1I)Br 7a_100012344904_100009817552 [0,2,0,0,0,0|1,0,1]=4 10099 B13R1.893 C[C@@H](O)COc1cc(ccc1I)Cl 34a_100000050036_100009817552 [0,2,0,0,0,0|1,0,1]=4 10100 B13R1.893 C[C@@H](O)COc1cc(ccc1I)Cl 7a_100000050036_100009817552 [0,2,0,0,0,0|1,0,1]=4 10101 B13R1.893 C[C@@H](O)COc1cc(ccc1I)F 34a_100010084537_100009817552 [0,2,0,0,0,0|1,0,1]=4 10102 B13R1.893 C[C@@H](O)COc1cc(ccc1I)F 7a_100010084537_100009817552 [0,2,0,0,0,0|1,0,1]=4 10103 B13R1.893 C[C@@H](O)COc1cc(ccc1N)Br 34a_100000739049_100009817552 [0,2,0,0,0,0|1,0,1]=4 10104 B13R1.893 C[C@@H](O)COc1cc(ccc1N)Br 7a_100000739049_100009817552 [0,2,0,0,0,0|1,0,1]=4 10105 B13R1.893 C[C@@H](O)COc1cc(ccc1N)Cl 34a_100000185728_100009817552 [0,2,0,0,0,0|1,0,1]=4 10106 B13R1.893 C[C@@H](O)COc1cc(ccc1N)Cl 7a_100000185728_100009817552 [0,2,0,0,0,0|1,0,1]=4 10107 B13R1.893 C[C@@H](O)COc1cc(ccc1N)F 34a_100000753323_100009817552 [0,2,0,0,0,0|1,0,1]=4 10108 B13R1.893 C[C@@H](O)COc1cc(ccc1N)F 7a_100000753323_100009817552 [0,2,0,0,0,0|1,0,1]=4 10109 B13R1.893 C[C@@H](O)COc1cc(ccc1N)I 34a_100000057187_100009817552 [0,2,0,0,0,0|1,0,1]=4 10110 B13R1.893 C[C@@H](O)COc1cc(ccc1N)I 7a_100000057187_100009817552 [0,2,0,0,0,0|1,0,1]=4 10111 B13R1.893 C[C@@H](O)COc1cc(ccc1N)N 34a_100025717382_100009817552 [0,2,0,0,0,0|1,0,1]=4 10112 B13R1.893 Cc1cc(c(cn1)Br)OCC(=O)N 34a_100011016184_100000187820 [0,2,0,0,0,0|2,0,0]=4 10113 B13R1.893 Cc1cc(c(cn1)Br)OCC(=O)[O-] 34a_100011016184_100020667443 [0,2,0,0,0,0|1,0,1]=4 10114 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])C 1458a_100011485725_200025704644 [0,2,0,0,0,0|2,0,0]=4 10115 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])F 1458a_100011934859_200025704644 [0,2,0,0,0,0|2,0,0]=4 10116 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)Br 34a_100000745044_100000187820 [0,2,0,0,0,0|2,0,0]=4 10117 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)C 2230a_100000185781_100000747473 [0,2,0,0,0,0|2,0,0]=4 10118 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)C 34a_100000185781_100000187820 [0,2,0,0,0,0|2,0,0]=4 10119 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)C 7a_100000185781_100000187820 [0,2,0,0,0,0|2,0,0]=4 10120 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)Cl 34a_100011215360_100000187820 [0,2,0,0,0,0|2,0,0]=4 10121 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)F 34a_100000211285_100000187820 [0,2,0,0,0,0|2,0,0]=4 10122 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)I 34a_100011216686_100000187820 [0,2,0,0,0,0|2,0,0]=4 10123 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)O 34a_100011215204_100000187820 [0,2,0,0,0,0|2,0,0]=4 10124 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])Br 34a_100000745044_100020667443 [0,2,0,0,0,0|1,0,1]=4 10125 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])C 34a_100000185781_100020667443 [0,2,0,0,0,0|1,0,1]=4 10126 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])Cl 34a_100011215360_100020667443 [0,2,0,0,0,0|1,0,1]=4 10127 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])F 34a_100000211285_100020667443 [0,2,0,0,0,0|1,0,1]=4 10128 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])I 34a_100011216686_100020667443 [0,2,0,0,0,0|1,0,1]=4 10129 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])O 34a_100011215204_100020667443 [0,2,0,0,0,0|1,0,1]=4 10130 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Br 34a_100012002257_100000187820 [0,2,0,0,0,0|1,0,0]=3 10131 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Br 7a_100012002257_100000187820 [0,2,0,0,0,0|1,0,0]=3 10132 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)C 34a_100000210931_100000187820 [0,2,0,0,0,0|1,0,0]=3 10133 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)C 7a_100000210931_100000187820 [0,2,0,0,0,0|1,0,0]=3 10134 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Cl 34a_100000211493_100000187820 [0,2,0,0,0,0|1,0,0]=3 10135 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)Cl 7a_100000211493_100000187820 [0,2,0,0,0,0|1,0,0]=3 10136 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)F 34a_100000759540_100000187820 [0,2,0,0,0,0|1,0,0]=3 10137 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)F 7a_100000759540_100000187820 [0,2,0,0,0,0|1,0,0]=3 10138 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)N 34a_100000211527_100000187820 [0,2,0,0,0,0|1,0,0]=3 10139 B13R1.893 Cc1ccc(c(c1)OCC(=O)N)N 7a_100000211527_100000187820 [0,2,0,0,0,0|1,0,0]=3 10140 B13R1.893 Cc1ccc(c(c1)OCC(=O)[13CH3])C 1458a_100000182428_200025704644 [0,2,0,0,0,0|1,0,0]=3 10141 B13R1.893 Cc1ccc(c(c1)OCC(=O)[13CH3])Cl 1458a_100000183693_200025704644 [0,2,0,0,0,0|1,0,0]=3 10142 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])Br 34a_100012002257_100020667443 [0,2,0,0,0,0|0,0,1]=3 10143 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])C 34a_100000210931_100020667443 [0,2,0,0,0,0|0,0,1]=3 10144 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])Cl 34a_100000211493_100020667443 [0,2,0,0,0,0|0,0,1]=3 10145 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])F 34a_100000759540_100020667443 [0,2,0,0,0,0|0,0,1]=3 10146 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])N 34a_100000211527_100020667443 [0,2,0,0,0,0|0,0,1]=3 10147 B13R1.893 Cc1ccc(c(c1)OCC(C)O)Br 34a_100012002257_100011218427 [0,2,0,0,0,0|1,0,1]=4 10148 B13R1.893 Cc1ccc(c(c1)OCC(C)O)Br 7a_100012002257_100011218427 [0,2,0,0,0,0|1,0,1]=4 10149 B13R1.893 Cc1ccc(c(c1)OCC(C)O)C 34a_100000210931_100011218427 [0,2,0,0,0,0|1,0,1]=4 10150 B13R1.893 Cc1ccc(c(c1)OCC(C)O)C 7a_100000210931_100011218427 [0,2,0,0,0,0|1,0,1]=4 10151 B13R1.893 Cc1ccc(c(c1)OCC(C)O)Cl 34a_100000211493_100011218427 [0,2,0,0,0,0|1,0,1]=4 10152 B13R1.893 Cc1ccc(c(c1)OCC(C)O)Cl 7a_100000211493_100011218427 [0,2,0,0,0,0|1,0,1]=4 10153 B13R1.893 Cc1ccc(c(c1)OCC(C)O)F 34a_100000759540_100011218427 [0,2,0,0,0,0|1,0,1]=4 10154 B13R1.893 Cc1ccc(c(c1)OCC(C)O)F 7a_100000759540_100011218427 [0,2,0,0,0,0|1,0,1]=4 10155 B13R1.893 Cc1ccc(c(c1)OCC(C)O)N 34a_100000211527_100011218427 [0,2,0,0,0,0|1,0,1]=4 10156 B13R1.893 Cc1ccc(c(c1)OCC(C)O)N 7a_100000211527_100011218427 [0,2,0,0,0,0|1,0,1]=4 10157 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)Br 34a_100012002257_100009817552 [0,2,0,0,0,0|1,0,1]=4 10158 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)Br 7a_100012002257_100009817552 [0,2,0,0,0,0|1,0,1]=4 10159 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)C 34a_100000210931_100009817552 [0,2,0,0,0,0|1,0,1]=4 10160 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)C 7a_100000210931_100009817552 [0,2,0,0,0,0|1,0,1]=4 10161 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)Cl 34a_100000211493_100009817552 [0,2,0,0,0,0|1,0,1]=4 10162 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)Cl 7a_100000211493_100009817552 [0,2,0,0,0,0|1,0,1]=4 10163 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)F 34a_100000759540_100009817552 [0,2,0,0,0,0|1,0,1]=4 10164 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)F 7a_100000759540_100009817552 [0,2,0,0,0,0|1,0,1]=4 10165 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)N 34a_100000211527_100009817552 [0,2,0,0,0,0|1,0,1]=4 10166 B13R1.893 Cc1ccc(c(c1)OC[C@@H](C)O)N 7a_100000211527_100009817552 [0,2,0,0,0,0|1,0,1]=4 10167 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])Br 34a_100012002257_100000761209 [0,2,0,0,0,0|1,0,1]=4 10168 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])C 34a_100000210931_100000761209 [0,2,0,0,0,0|1,0,1]=4 10169 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])Cl 34a_100000211493_100000761209 [0,2,0,0,0,0|1,0,1]=4 10170 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])F 34a_100000759540_100000761209 [0,2,0,0,0,0|1,0,1]=4 10171 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])N 34a_100000211527_100000761209 [0,2,0,0,0,0|1,0,1]=4 10172 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)Br 62a_100000747473_100012353751 [0,2,0,0,0,0|1,1,0]=4 10173 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)Br 62a_100012353751_100000747473 [0,2,0,0,0,0|1,1,0]=4 10174 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)C 62a_100000210833_100000747473 [0,2,0,0,0,0|1,1,0]=4 10175 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)C 62a_100000747473_100000210833 [0,2,0,0,0,0|1,1,0]=4 10176 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)Cl 62a_100000747473_100012356289 [0,2,0,0,0,0|1,1,0]=4 10177 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)Cl 62a_100012356289_100000747473 [0,2,0,0,0,0|1,1,0]=4 10178 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)F 62a_100000736223_100000747473 [0,2,0,0,0,0|1,1,0]=4 10179 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)F 62a_100000747473_100000736223 [0,2,0,0,0,0|1,1,0]=4 10180 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)N 62a_100000747473_100011356834 [0,2,0,0,0,0|1,1,0]=4 10181 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)N 62a_100011356834_100000747473 [0,2,0,0,0,0|1,1,0]=4 10182 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)O 62a_100000747473_100000765521 [0,2,0,0,0,0|1,1,0]=4 10183 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)O 62a_100000765521_100000747473 [0,2,0,0,0,0|1,1,0]=4 10184 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Br 62a_100012353751_100020667443 [0,2,0,0,0,0|0,1,1]=4 10185 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Br 62a_100020667443_100012353751 [0,2,0,0,0,0|0,1,1]=4 10186 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])C 62a_100000210833_100020667443 [0,2,0,0,0,0|0,1,1]=4 10187 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])C 62a_100020667443_100000210833 [0,2,0,0,0,0|0,1,1]=4 10188 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100012356289_100020667443 [0,2,0,0,0,0|0,1,1]=4 10189 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100020667443_100012356289 [0,2,0,0,0,0|0,1,1]=4 10190 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])F 62a_100000736223_100020667443 [0,2,0,0,0,0|0,1,1]=4 10191 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])F 62a_100020667443_100000736223 [0,2,0,0,0,0|0,1,1]=4 10192 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])N 62a_100011356834_100020667443 [0,2,0,0,0,0|0,1,1]=4 10193 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])N 62a_100020667443_100011356834 [0,2,0,0,0,0|0,1,1]=4 10194 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100000765521_100020667443 [0,2,0,0,0,0|0,1,1]=4 10195 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100000765521 [0,2,0,0,0,0|0,1,1]=4 10196 B13R1.893 Cc1ccc(c(n1)OCC(=O)N)Br 34a_100009817604_100000187820 [0,2,0,0,0,0|2,0,0]=4 10197 B13R1.893 Cc1ccc(c(n1)OCC(=O)N)N 34a_100000687486_100000187820 [0,2,0,0,0,0|2,0,0]=4 10198 B13R1.893 Cc1ccc(c(n1)OCC(=O)[O-])Br 34a_100009817604_100020667443 [0,2,0,0,0,0|1,0,1]=4 10199 B13R1.893 Cc1ccc(c(n1)OCC(=O)[O-])N 34a_100000687486_100020667443 [0,2,0,0,0,0|1,0,1]=4 10200 B13R1.893 Cc1ccc(cc1CCC(=O)[13CH3])F 1458a_100011830270_200025704644 [0,2,0,0,0,0|2,0,0]=4 10201 B13R1.893 Cc1ccc(cc1NCC(=O)N)Br 34a_100000741167_100000187820 [0,2,0,0,0,0|2,0,0]=4 10202 B13R1.893 Cc1ccc(cc1NCC(=O)N)Br 7a_100000741167_100000187820 [0,2,0,0,0,0|2,0,0]=4 10203 B13R1.893 Cc1ccc(cc1NCC(=O)N)Cl 34a_100000211374_100000187820 [0,2,0,0,0,0|2,0,0]=4 10204 B13R1.893 Cc1ccc(cc1NCC(=O)N)Cl 7a_100000211374_100000187820 [0,2,0,0,0,0|2,0,0]=4 10205 B13R1.893 Cc1ccc(cc1NCC(=O)N)F 34a_100000211107_100000187820 [0,2,0,0,0,0|2,0,0]=4 10206 B13R1.893 Cc1ccc(cc1NCC(=O)N)F 7a_100000211107_100000187820 [0,2,0,0,0,0|2,0,0]=4 10207 B13R1.893 Cc1ccc(cc1NCC(=O)N)I 7a_100000761890_100000187820 [0,2,0,0,0,0|2,0,0]=4 10208 B13R1.893 Cc1ccc(cc1NCC(=O)N)O 34a_100011216113_100000187820 [0,2,0,0,0,0|2,0,0]=4 10209 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])Br 34a_100000741167_100020667443 [0,2,0,0,0,0|1,0,1]=4 10210 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])Cl 34a_100000211374_100020667443 [0,2,0,0,0,0|1,0,1]=4 10211 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])F 34a_100000211107_100020667443 [0,2,0,0,0,0|1,0,1]=4 10212 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])O 34a_100011216113_100020667443 [0,2,0,0,0,0|1,0,1]=4 10213 B13R1.893 Cc1ccc(cc1OCC(=O)N)Br 34a_100000685420_100000187820 [0,2,0,0,0,0|1,0,0]=3 10214 B13R1.893 Cc1ccc(cc1OCC(=O)N)Br 7a_100000685420_100000187820 [0,2,0,0,0,0|1,0,0]=3 10215 B13R1.893 Cc1ccc(cc1OCC(=O)N)Cl 34a_100000756515_100000187820 [0,2,0,0,0,0|1,0,0]=3 10216 B13R1.893 Cc1ccc(cc1OCC(=O)N)Cl 7a_100000756515_100000187820 [0,2,0,0,0,0|1,0,0]=3 10217 B13R1.893 Cc1ccc(cc1OCC(=O)N)F 34a_100000690566_100000187820 [0,2,0,0,0,0|1,0,0]=3 10218 B13R1.893 Cc1ccc(cc1OCC(=O)N)F 7a_100000690566_100000187820 [0,2,0,0,0,0|1,0,0]=3 10219 B13R1.893 Cc1ccc(cc1OCC(=O)N)I 7a_100000766334_100000187820 [0,2,0,0,0,0|1,0,0]=3 10220 B13R1.893 Cc1ccc(cc1OCC(=O)N)N 34a_100000759471_100000187820 [0,2,0,0,0,0|1,0,0]=3 10221 B13R1.893 Cc1ccc(cc1OCC(=O)N)N 7a_100000759471_100000187820 [0,2,0,0,0,0|1,0,0]=3 10222 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])Br 34a_100000685420_100020667443 [0,2,0,0,0,0|0,0,1]=3 10223 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])Cl 34a_100000756515_100020667443 [0,2,0,0,0,0|0,0,1]=3 10224 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])F 34a_100000690566_100020667443 [0,2,0,0,0,0|0,0,1]=3 10225 B13R1.893 Cc1ccc(cc1OCC(=O)[O-])N 34a_100000759471_100020667443 [0,2,0,0,0,0|0,0,1]=3 10226 B13R1.893 Cc1ccc(cc1OCC(C)O)Br 34a_100000685420_100011218427 [0,2,0,0,0,0|1,0,1]=4 10227 B13R1.893 Cc1ccc(cc1OCC(C)O)Br 7a_100000685420_100011218427 [0,2,0,0,0,0|1,0,1]=4 10228 B13R1.893 Cc1ccc(cc1OCC(C)O)Cl 34a_100000756515_100011218427 [0,2,0,0,0,0|1,0,1]=4 10229 B13R1.893 Cc1ccc(cc1OCC(C)O)Cl 7a_100000756515_100011218427 [0,2,0,0,0,0|1,0,1]=4 10230 B13R1.893 Cc1ccc(cc1OCC(C)O)F 34a_100000690566_100011218427 [0,2,0,0,0,0|1,0,1]=4 10231 B13R1.893 Cc1ccc(cc1OCC(C)O)F 7a_100000690566_100011218427 [0,2,0,0,0,0|1,0,1]=4 10232 B13R1.893 Cc1ccc(cc1OCC(C)O)I 7a_100000766334_100011218427 [0,2,0,0,0,0|1,0,1]=4 10233 B13R1.893 Cc1ccc(cc1OCC(C)O)N 34a_100000759471_100011218427 [0,2,0,0,0,0|1,0,1]=4 10234 B13R1.893 Cc1ccc(cc1OCC(C)O)N 7a_100000759471_100011218427 [0,2,0,0,0,0|1,0,1]=4 10235 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)Br 34a_100000685420_100009817552 [0,2,0,0,0,0|1,0,1]=4 10236 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)Br 7a_100000685420_100009817552 [0,2,0,0,0,0|1,0,1]=4 10237 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)Cl 34a_100000756515_100009817552 [0,2,0,0,0,0|1,0,1]=4 10238 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)Cl 7a_100000756515_100009817552 [0,2,0,0,0,0|1,0,1]=4 10239 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)F 34a_100000690566_100009817552 [0,2,0,0,0,0|1,0,1]=4 10240 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)F 7a_100000690566_100009817552 [0,2,0,0,0,0|1,0,1]=4 10241 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)I 7a_100000766334_100009817552 [0,2,0,0,0,0|1,0,1]=4 10242 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)N 34a_100000759471_100009817552 [0,2,0,0,0,0|1,0,1]=4 10243 B13R1.893 Cc1ccc(cc1OC[C@@H](C)O)N 7a_100000759471_100009817552 [0,2,0,0,0,0|1,0,1]=4 10244 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])Br 34a_100000685420_100000761209 [0,2,0,0,0,0|1,0,1]=4 10245 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])Cl 34a_100000756515_100000761209 [0,2,0,0,0,0|1,0,1]=4 10246 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])F 34a_100000690566_100000761209 [0,2,0,0,0,0|1,0,1]=4 10247 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])N 34a_100000759471_100000761209 [0,2,0,0,0,0|1,0,1]=4 10248 B13R1.893 Cc1ccc(cc1SCC(=O)N)Br 62a_100000747473_100011344865 [0,2,0,0,0,0|1,1,0]=4 10249 B13R1.893 Cc1ccc(cc1SCC(=O)N)Br 62a_100011344865_100000747473 [0,2,0,0,0,0|1,1,0]=4 10250 B13R1.893 Cc1ccc(cc1SCC(=O)N)Cl 62a_100000747473_100011263213 [0,2,0,0,0,0|1,1,0]=4 10251 B13R1.893 Cc1ccc(cc1SCC(=O)N)Cl 62a_100011263213_100000747473 [0,2,0,0,0,0|1,1,0]=4 10252 B13R1.893 Cc1ccc(cc1SCC(=O)N)F 62a_100000747473_100011218078 [0,2,0,0,0,0|1,1,0]=4 10253 B13R1.893 Cc1ccc(cc1SCC(=O)N)F 62a_100011218078_100000747473 [0,2,0,0,0,0|1,1,0]=4 10254 B13R1.893 Cc1ccc(cc1SCC(=O)N)N 62a_100000736455_100000747473 [0,2,0,0,0,0|1,1,0]=4 10255 B13R1.893 Cc1ccc(cc1SCC(=O)N)N 62a_100000747473_100000736455 [0,2,0,0,0,0|1,1,0]=4 10256 B13R1.893 Cc1ccc(cc1SCC(=O)N)O 62a_100000747473_100011380479 [0,2,0,0,0,0|1,1,0]=4 10257 B13R1.893 Cc1ccc(cc1SCC(=O)N)O 62a_100011380479_100000747473 [0,2,0,0,0,0|1,1,0]=4 10258 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])Br 62a_100011344865_100020667443 [0,2,0,0,0,0|0,1,1]=4 10259 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])Br 62a_100020667443_100011344865 [0,2,0,0,0,0|0,1,1]=4 10260 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])Cl 62a_100011263213_100020667443 [0,2,0,0,0,0|0,1,1]=4 10261 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])Cl 62a_100020667443_100011263213 [0,2,0,0,0,0|0,1,1]=4 10262 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])F 62a_100011218078_100020667443 [0,2,0,0,0,0|0,1,1]=4 10263 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])F 62a_100020667443_100011218078 [0,2,0,0,0,0|0,1,1]=4 10264 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])N 62a_100000736455_100020667443 [0,2,0,0,0,0|0,1,1]=4 10265 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])N 62a_100020667443_100000736455 [0,2,0,0,0,0|0,1,1]=4 10266 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])O 62a_100011380479_100020667443 [0,2,0,0,0,0|0,1,1]=4 10267 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])O 62a_100020667443_100011380479 [0,2,0,0,0,0|0,1,1]=4 10268 B13R1.893 Cc1cnc(c(c1)OCC(=O)N)Cl 34a_100012000487_100000187820 [0,2,0,0,0,0|2,0,0]=4 10269 B13R1.893 Cc1cnc(c(c1)OCC(=O)N)Cl 7a_100012000487_100000187820 [0,2,0,0,0,0|2,0,0]=4 10270 B13R1.893 Cc1cnc(c(c1)OCC(=O)N)F 34a_100009849810_100000187820 [0,2,0,0,0,0|2,0,0]=4 10271 B13R1.893 Cc1cnc(c(c1)OCC(=O)N)F 7a_100009849810_100000187820 [0,2,0,0,0,0|2,0,0]=4 10272 B13R1.893 Cc1cnc(c(c1)OCC(=O)[O-])Cl 34a_100012000487_100020667443 [0,2,0,0,0,0|1,0,1]=4 10273 B13R1.893 Cc1cnc(c(c1)OCC(=O)[O-])F 34a_100009849810_100020667443 [0,2,0,0,0,0|1,0,1]=4 10274 B13R1.893 Cc1cnc(cc1OCC(=O)N)Br 34a_100000704368_100000187820 [0,2,0,0,0,0|2,0,0]=4 10275 B13R1.893 Cc1cnc(cc1OCC(=O)N)Br 7a_100000704368_100000187820 [0,2,0,0,0,0|2,0,0]=4 10276 B13R1.893 Cc1cnc(cc1OCC(=O)[O-])Br 34a_100000704368_100020667443 [0,2,0,0,0,0|1,0,1]=4 10277 B13R1.893 Cc1ncc(cc1OCC(=O)N)Br 34a_100009864810_100000187820 [0,2,0,0,0,0|2,0,0]=4 10278 B13R1.893 Cc1ncc(cc1OCC(=O)N)Br 7a_100009864810_100000187820 [0,2,0,0,0,0|2,0,0]=4 10279 B13R1.893 Cc1ncc(cc1OCC(=O)[O-])Br 34a_100009864810_100020667443 [0,2,0,0,0,0|1,0,1]=4 10280 B13R1.893 NC(=O)CNc1cc(ccc1Br)Br 34a_100000737762_100000187820 [0,2,0,0,0,0|2,0,0]=4 10281 B13R1.893 NC(=O)CNc1cc(ccc1Br)Cl 34a_100000687073_100000187820 [0,2,0,0,0,0|2,0,0]=4 10282 B13R1.893 NC(=O)CNc1cc(ccc1Br)F 34a_100000687223_100000187820 [0,2,0,0,0,0|2,0,0]=4 10283 B13R1.893 NC(=O)CNc1cc(ccc1Br)O 34a_100011999798_100000187820 [0,2,0,0,0,0|2,0,0]=4 10284 B13R1.893 NC(=O)CNc1cc(ccc1Cl)Br 34a_100000750497_100000187820 [0,2,0,0,0,0|2,0,0]=4 10285 B13R1.893 NC(=O)CNc1cc(ccc1Cl)Cl 34a_100000184485_100000187820 [0,2,0,0,0,0|2,0,0]=4 10286 B13R1.893 NC(=O)CNc1cc(ccc1Cl)F 34a_100000751338_100000187820 [0,2,0,0,0,0|2,0,0]=4 10287 B13R1.893 NC(=O)CNc1cc(ccc1Cl)I 34a_200000761891_100000187820 [0,2,0,0,0,0|2,0,0]=4 10288 B13R1.893 NC(=O)CNc1cc(ccc1Cl)O 34a_100011934297_100000187820 [0,2,0,0,0,0|2,0,0]=4 10289 B13R1.893 NC(=O)CNc1cc(ccc1F)Br 34a_100000740924_100000187820 [0,2,0,0,0,0|2,0,0]=4 10290 B13R1.893 NC(=O)CNc1cc(ccc1F)Cl 34a_100000212115_100000187820 [0,2,0,0,0,0|2,0,0]=4 10291 B13R1.893 NC(=O)CNc1cc(ccc1F)F 34a_100000210742_100000187820 [0,2,0,0,0,0|2,0,0]=4 10292 B13R1.893 NC(=O)CNc1cc(ccc1F)I 34a_100011464823_100000187820 [0,2,0,0,0,0|2,0,0]=4 10293 B13R1.893 NC(=O)CNc1cc(ccc1F)O 34a_100012017239_100000187820 [0,2,0,0,0,0|2,0,0]=4 10294 B13R1.893 NC(=O)CNc1cc(ccc1I)Br 34a_100000743836_100000187820 [0,2,0,0,0,0|2,0,0]=4 10295 B13R1.893 NC(=O)CNc1cc(ccc1I)Cl 34a_100000761886_100000187820 [0,2,0,0,0,0|2,0,0]=4 10296 B13R1.893 NC(=O)CNc1cc(ccc1I)F 34a_100011218093_100000187820 [0,2,0,0,0,0|2,0,0]=4 10297 B13R1.893 NC(=O)CNc1cc(ccc1O)Br 34a_100000752626_100000187820 [0,2,0,0,0,0|2,0,0]=4 10298 B13R1.893 NC(=O)CNc1cc(ccc1O)Cl 34a_100000210500_100000187820 [0,2,0,0,0,0|2,0,0]=4 10299 B13R1.893 NC(=O)CNc1cc(ccc1O)F 34a_100000759472_100000187820 [0,2,0,0,0,0|2,0,0]=4 10300 B13R1.893 NC(=O)COc1cc(=O)[nH]cc1Cl 34a_100000069390_100000187820 [0,2,0,0,0,0|2,0,0]=4 10301 B13R1.893 NC(=O)COc1cc(ccc1Br)Br 34a_100011220040_100000187820 [0,2,0,0,0,0|1,0,0]=3 10302 B13R1.893 NC(=O)COc1cc(ccc1Br)Br 7a_100011220040_100000187820 [0,2,0,0,0,0|1,0,0]=3 10303 B13R1.893 NC(=O)COc1cc(ccc1Br)Cl 34a_100012339455_100000187820 [0,2,0,0,0,0|1,0,0]=3 10304 B13R1.893 NC(=O)COc1cc(ccc1Br)Cl 7a_100012339455_100000187820 [0,2,0,0,0,0|1,0,0]=3 10305 B13R1.893 NC(=O)COc1cc(ccc1Br)F 34a_100000690578_100000187820 [0,2,0,0,0,0|1,0,0]=3 10306 B13R1.893 NC(=O)COc1cc(ccc1Br)F 7a_100000690578_100000187820 [0,2,0,0,0,0|1,0,0]=3 10307 B13R1.893 NC(=O)COc1cc(ccc1Br)I 34a_100012356990_100000187820 [0,2,0,0,0,0|1,0,0]=3 10308 B13R1.893 NC(=O)COc1cc(ccc1Br)I 7a_100012356990_100000187820 [0,2,0,0,0,0|1,0,0]=3 10309 B13R1.893 NC(=O)COc1cc(ccc1Cl)Br 34a_100000738945_100000187820 [0,2,0,0,0,0|1,0,0]=3 10310 B13R1.893 NC(=O)COc1cc(ccc1Cl)Br 7a_100000738945_100000187820 [0,2,0,0,0,0|1,0,0]=3 10311 B13R1.893 NC(=O)COc1cc(ccc1Cl)Cl 34a_100000211422_100000187820 [0,2,0,0,0,0|1,0,0]=3 10312 B13R1.893 NC(=O)COc1cc(ccc1Cl)Cl 7a_100000211422_100000187820 [0,2,0,0,0,0|1,0,0]=3 10313 B13R1.893 NC(=O)COc1cc(ccc1Cl)F 34a_100000692107_100000187820 [0,2,0,0,0,0|1,0,0]=3 10314 B13R1.893 NC(=O)COc1cc(ccc1Cl)F 7a_100000692107_100000187820 [0,2,0,0,0,0|1,0,0]=3 10315 B13R1.893 NC(=O)COc1cc(ccc1Cl)I 34a_100011356854_100000187820 [0,2,0,0,0,0|1,0,0]=3 10316 B13R1.893 NC(=O)COc1cc(ccc1Cl)I 7a_100011356854_100000187820 [0,2,0,0,0,0|1,0,0]=3 10317 B13R1.893 NC(=O)COc1cc(ccc1Cl)N 34a_100011934209_100000187820 [0,2,0,0,0,0|1,0,0]=3 10318 B13R1.893 NC(=O)COc1cc(ccc1F)Br 34a_100000686035_100000187820 [0,2,0,0,0,0|1,0,0]=3 10319 B13R1.893 NC(=O)COc1cc(ccc1F)Br 7a_100000686035_100000187820 [0,2,0,0,0,0|1,0,0]=3 10320 B13R1.893 NC(=O)COc1cc(ccc1F)Cl 34a_100000757397_100000187820 [0,2,0,0,0,0|1,0,0]=3 10321 B13R1.893 NC(=O)COc1cc(ccc1F)Cl 7a_100000757397_100000187820 [0,2,0,0,0,0|1,0,0]=3 10322 B13R1.893 NC(=O)COc1cc(ccc1F)F 34a_100000752141_100000187820 [0,2,0,0,0,0|1,0,0]=3 10323 B13R1.893 NC(=O)COc1cc(ccc1F)F 7a_100000752141_100000187820 [0,2,0,0,0,0|1,0,0]=3 10324 B13R1.893 NC(=O)COc1cc(ccc1F)I 34a_100009958187_100000187820 [0,2,0,0,0,0|1,0,0]=3 10325 B13R1.893 NC(=O)COc1cc(ccc1F)I 7a_100009958187_100000187820 [0,2,0,0,0,0|1,0,0]=3 10326 B13R1.893 NC(=O)COc1cc(ccc1F)N 34a_100012017398_100000187820 [0,2,0,0,0,0|1,0,0]=3 10327 B13R1.893 NC(=O)COc1cc(ccc1F)N 7a_100012017398_100000187820 [0,2,0,0,0,0|1,0,0]=3 10328 B13R1.893 NC(=O)COc1cc(ccc1I)Br 34a_100012344904_100000187820 [0,2,0,0,0,0|1,0,0]=3 10329 B13R1.893 NC(=O)COc1cc(ccc1I)Br 7a_100012344904_100000187820 [0,2,0,0,0,0|1,0,0]=3 10330 B13R1.893 NC(=O)COc1cc(ccc1I)Cl 34a_100000050036_100000187820 [0,2,0,0,0,0|1,0,0]=3 10331 B13R1.893 NC(=O)COc1cc(ccc1I)Cl 7a_100000050036_100000187820 [0,2,0,0,0,0|1,0,0]=3 10332 B13R1.893 NC(=O)COc1cc(ccc1I)F 34a_100010084537_100000187820 [0,2,0,0,0,0|1,0,0]=3 10333 B13R1.893 NC(=O)COc1cc(ccc1I)F 7a_100010084537_100000187820 [0,2,0,0,0,0|1,0,0]=3 10334 B13R1.893 NC(=O)COc1cc(ccc1N)Br 34a_100000739049_100000187820 [0,2,0,0,0,0|1,0,0]=3 10335 B13R1.893 NC(=O)COc1cc(ccc1N)Br 7a_100000739049_100000187820 [0,2,0,0,0,0|1,0,0]=3 10336 B13R1.893 NC(=O)COc1cc(ccc1N)Cl 34a_100000185728_100000187820 [0,2,0,0,0,0|1,0,0]=3 10337 B13R1.893 NC(=O)COc1cc(ccc1N)Cl 7a_100000185728_100000187820 [0,2,0,0,0,0|1,0,0]=3 10338 B13R1.893 NC(=O)COc1cc(ccc1N)F 34a_100000753323_100000187820 [0,2,0,0,0,0|1,0,0]=3 10339 B13R1.893 NC(=O)COc1cc(ccc1N)F 7a_100000753323_100000187820 [0,2,0,0,0,0|1,0,0]=3 10340 B13R1.893 NC(=O)COc1cc(ccc1N)I 34a_100000057187_100000187820 [0,2,0,0,0,0|1,0,0]=3 10341 B13R1.893 NC(=O)COc1cc(ccc1N)I 7a_100000057187_100000187820 [0,2,0,0,0,0|1,0,0]=3 10342 B13R1.893 NC(=O)COc1cc(ccc1N)N 34a_100025717382_100000187820 [0,2,0,0,0,0|1,0,0]=3 10343 B13R1.893 NC(=O)COc1cc(cnc1Br)Cl 34a_100000697010_100000187820 [0,2,0,0,0,0|2,0,0]=4 10344 B13R1.893 NC(=O)COc1cc(cnc1Br)Cl 7a_100000697010_100000187820 [0,2,0,0,0,0|2,0,0]=4 10345 B13R1.893 NC(=O)COc1cc(cnc1Br)F 34a_100009820119_100000187820 [0,2,0,0,0,0|2,0,0]=4 10346 B13R1.893 NC(=O)COc1cc(cnc1Br)F 7a_100009820119_100000187820 [0,2,0,0,0,0|2,0,0]=4 10347 B13R1.893 NC(=O)COc1cc(cnc1Cl)Br 34a_100012354860_100000187820 [0,2,0,0,0,0|2,0,0]=4 10348 B13R1.893 NC(=O)COc1cc(cnc1Cl)Br 7a_100012354860_100000187820 [0,2,0,0,0,0|2,0,0]=4 10349 B13R1.893 NC(=O)COc1cc(cnc1Cl)F 34a_100000079967_100000187820 [0,2,0,0,0,0|2,0,0]=4 10350 B13R1.893 NC(=O)COc1cc(cnc1Cl)F 7a_100000079967_100000187820 [0,2,0,0,0,0|2,0,0]=4 10351 B13R1.893 NC(=O)COc1cc(cnc1F)Br 34a_100009819871_100000187820 [0,2,0,0,0,0|2,0,0]=4 10352 B13R1.893 NC(=O)COc1cc(cnc1F)Br 7a_100009819871_100000187820 [0,2,0,0,0,0|2,0,0]=4 10353 B13R1.893 NC(=O)COc1cc(cnc1F)Cl 34a_100000094372_100000187820 [0,2,0,0,0,0|2,0,0]=4 10354 B13R1.893 NC(=O)COc1cc(cnc1F)Cl 7a_100000094372_100000187820 [0,2,0,0,0,0|2,0,0]=4 10355 B13R1.893 NC(=O)COc1cc(cnc1I)Br 34a_100010210634_100000187820 [0,2,0,0,0,0|2,0,0]=4 10356 B13R1.893 NC(=O)COc1cc(cnc1I)Br 7a_100010210634_100000187820 [0,2,0,0,0,0|2,0,0]=4 10357 B13R1.893 NC(=O)COc1cc(cnc1I)Cl 34a_100010233512_100000187820 [0,2,0,0,0,0|2,0,0]=4 10358 B13R1.893 NC(=O)COc1cc(cnc1I)Cl 7a_100010233512_100000187820 [0,2,0,0,0,0|2,0,0]=4 10359 B13R1.893 NC(=O)COc1cc(cnc1I)F 34a_100015624800_100000187820 [0,2,0,0,0,0|2,0,0]=4 10360 B13R1.893 NC(=O)COc1cc(cnc1I)F 7a_100015624800_100000187820 [0,2,0,0,0,0|2,0,0]=4 10361 B13R1.893 NC(=O)COc1cc(cnc1N)Br 34a_100009819042_100000187820 [0,2,0,0,0,0|2,0,0]=4 10362 B13R1.893 NC(=O)COc1cc(cnc1N)Br 7a_100009819042_100000187820 [0,2,0,0,0,0|2,0,0]=4 10363 B13R1.893 NC(=O)COc1cc(cnc1N)Cl 34a_100000123674_100000187820 [0,2,0,0,0,0|2,0,0]=4 10364 B13R1.893 NC(=O)COc1cc(cnc1N)Cl 7a_100000123674_100000187820 [0,2,0,0,0,0|2,0,0]=4 10365 B13R1.893 NC(=O)COc1cc(cnc1N)F 34a_100000094369_100000187820 [0,2,0,0,0,0|2,0,0]=4 10366 B13R1.893 NC(=O)COc1cc(cnc1N)F 7a_100000094369_100000187820 [0,2,0,0,0,0|2,0,0]=4 10367 B13R1.893 NC(=O)COc1cc(ncc1Br)Br 34a_100010235016_100000187820 [0,2,0,0,0,0|2,0,0]=4 10368 B13R1.893 NC(=O)COc1cc(ncc1Br)Cl 34a_100010173860_100000187820 [0,2,0,0,0,0|2,0,0]=4 10369 B13R1.893 NC(=O)COc1cc(ncc1Cl)Br 34a_100010173861_100000187820 [0,2,0,0,0,0|2,0,0]=4 10370 B13R1.893 NC(=O)COc1cc(ncc1F)Br 34a_100009854642_100000187820 [0,2,0,0,0,0|2,0,0]=4 10371 B13R1.893 NC(=O)COc1cc(ncc1F)Cl 34a_100009851168_100000187820 [0,2,0,0,0,0|2,0,0]=4 10372 B13R1.893 NC(=O)COc1nc(ccc1F)Cl 34a_100010729010_100000187820 [0,2,0,0,0,0|2,0,0]=4 10373 B13R1.893 NC(=O)CSc1cc(ccc1Br)Br 62a_100000747473_100011483371 [0,2,0,0,0,0|1,1,0]=4 10374 B13R1.893 NC(=O)CSc1cc(ccc1Br)Br 62a_100011483371_100000747473 [0,2,0,0,0,0|1,1,0]=4 10375 B13R1.893 NC(=O)CSc1cc(ccc1Br)Cl 62a_100000747473_100012339723 [0,2,0,0,0,0|1,1,0]=4 10376 B13R1.893 NC(=O)CSc1cc(ccc1Br)Cl 62a_100012339723_100000747473 [0,2,0,0,0,0|1,1,0]=4 10377 B13R1.893 NC(=O)CSc1cc(ccc1Br)F 62a_100000747473_100011217576 [0,2,0,0,0,0|1,1,0]=4 10378 B13R1.893 NC(=O)CSc1cc(ccc1Br)F 62a_100011217576_100000747473 [0,2,0,0,0,0|1,1,0]=4 10379 B13R1.893 NC(=O)CSc1cc(ccc1Br)N 62a_100000747473_100000750459 [0,2,0,0,0,0|1,1,0]=4 10380 B13R1.893 NC(=O)CSc1cc(ccc1Br)N 62a_100000750459_100000747473 [0,2,0,0,0,0|1,1,0]=4 10381 B13R1.893 NC(=O)CSc1cc(ccc1Br)O 62a_100000747473_100012339312 [0,2,0,0,0,0|1,1,0]=4 10382 B13R1.893 NC(=O)CSc1cc(ccc1Br)O 62a_100012339312_100000747473 [0,2,0,0,0,0|1,1,0]=4 10383 B13R1.893 NC(=O)CSc1cc(ccc1Cl)Br 62a_100000747473_100011772130 [0,2,0,0,0,0|1,1,0]=4 10384 B13R1.893 NC(=O)CSc1cc(ccc1Cl)Br 62a_100011772130_100000747473 [0,2,0,0,0,0|1,1,0]=4 10385 B13R1.893 NC(=O)CSc1cc(ccc1Cl)Cl 62a_100000707729_100000747473 [0,2,0,0,0,0|1,1,0]=4 10386 B13R1.893 NC(=O)CSc1cc(ccc1Cl)Cl 62a_100000747473_100000707729 [0,2,0,0,0,0|1,1,0]=4 10387 B13R1.893 NC(=O)CSc1cc(ccc1Cl)F 62a_100000747473_100011217299 [0,2,0,0,0,0|1,1,0]=4 10388 B13R1.893 NC(=O)CSc1cc(ccc1Cl)F 62a_100011217299_100000747473 [0,2,0,0,0,0|1,1,0]=4 10389 B13R1.893 NC(=O)CSc1cc(ccc1Cl)N 62a_100000747473_100012360549 [0,2,0,0,0,0|1,1,0]=4 10390 B13R1.893 NC(=O)CSc1cc(ccc1Cl)N 62a_100012360549_100000747473 [0,2,0,0,0,0|1,1,0]=4 10391 B13R1.893 NC(=O)CSc1cc(ccc1Cl)O 62a_100000049588_100000747473 [0,2,0,0,0,0|1,1,0]=4 10392 B13R1.893 NC(=O)CSc1cc(ccc1Cl)O 62a_100000747473_100000049588 [0,2,0,0,0,0|1,1,0]=4 10393 B13R1.893 NC(=O)CSc1cc(ccc1F)Br 62a_100000747473_100011217312 [0,2,0,0,0,0|1,1,0]=4 10394 B13R1.893 NC(=O)CSc1cc(ccc1F)Br 62a_100011217312_100000747473 [0,2,0,0,0,0|1,1,0]=4 10395 B13R1.893 NC(=O)CSc1cc(ccc1F)Cl 62a_100000747473_100011218116 [0,2,0,0,0,0|1,1,0]=4 10396 B13R1.893 NC(=O)CSc1cc(ccc1F)Cl 62a_100011218116_100000747473 [0,2,0,0,0,0|1,1,0]=4 10397 B13R1.893 NC(=O)CSc1cc(ccc1F)F 62a_100000747473_100011219198 [0,2,0,0,0,0|1,1,0]=4 10398 B13R1.893 NC(=O)CSc1cc(ccc1F)F 62a_100011219198_100000747473 [0,2,0,0,0,0|1,1,0]=4 10399 B13R1.893 NC(=O)CSc1cc(ccc1F)N 62a_100000747473_100000760356 [0,2,0,0,0,0|1,1,0]=4 10400 B13R1.893 NC(=O)CSc1cc(ccc1F)N 62a_100000760356_100000747473 [0,2,0,0,0,0|1,1,0]=4 10401 B13R1.893 NC(=O)CSc1cc(ccc1F)O 62a_100000693481_100000747473 [0,2,0,0,0,0|1,1,0]=4 10402 B13R1.893 NC(=O)CSc1cc(ccc1F)O 62a_100000747473_100000693481 [0,2,0,0,0,0|1,1,0]=4 10403 B13R1.893 NC(=O)CSc1cc(ccc1N)Br 62a_100000187925_100000747473 [0,2,0,0,0,0|1,1,0]=4 10404 B13R1.893 NC(=O)CSc1cc(ccc1N)Br 62a_100000747473_100000187925 [0,2,0,0,0,0|1,1,0]=4 10405 B13R1.893 NC(=O)CSc1cc(ccc1N)Cl 62a_100000747473_100000761889 [0,2,0,0,0,0|1,1,0]=4 10406 B13R1.893 NC(=O)CSc1cc(ccc1N)Cl 62a_100000761889_100000747473 [0,2,0,0,0,0|1,1,0]=4 10407 B13R1.893 NC(=O)CSc1cc(ccc1N)F 62a_100000747473_100000760547 [0,2,0,0,0,0|1,1,0]=4 10408 B13R1.893 NC(=O)CSc1cc(ccc1N)F 62a_100000760547_100000747473 [0,2,0,0,0,0|1,1,0]=4 10409 B13R1.893 NC(=O)CSc1cc(ccc1N)N 62a_100000747473_100011534242 [0,2,0,0,0,0|1,1,0]=4 10410 B13R1.893 NC(=O)CSc1cc(ccc1N)N 62a_100011534242_100000747473 [0,2,0,0,0,0|1,1,0]=4 10411 B13R1.893 NC(=O)CSc1cc(ccc1N)O 62a_100000747473_100012001276 [0,2,0,0,0,0|1,1,0]=4 10412 B13R1.893 NC(=O)CSc1cc(ccc1N)O 62a_100012001276_100000747473 [0,2,0,0,0,0|1,1,0]=4 10413 B13R1.893 NC(=O)CSc1cc(ccc1O)Br 62a_100000747473_100012355227 [0,2,0,0,0,0|1,1,0]=4 10414 B13R1.893 NC(=O)CSc1cc(ccc1O)Br 62a_100012355227_100000747473 [0,2,0,0,0,0|1,1,0]=4 10415 B13R1.893 NC(=O)CSc1cc(ccc1O)Cl 62a_100000747473_100011356953 [0,2,0,0,0,0|1,1,0]=4 10416 B13R1.893 NC(=O)CSc1cc(ccc1O)Cl 62a_100011356953_100000747473 [0,2,0,0,0,0|1,1,0]=4 10417 B13R1.893 NC(=O)CSc1cc(ccc1O)F 62a_100000211999_100000747473 [0,2,0,0,0,0|1,1,0]=4 10418 B13R1.893 NC(=O)CSc1cc(ccc1O)F 62a_100000747473_100000211999 [0,2,0,0,0,0|1,1,0]=4 10419 B13R1.893 NC(=O)CSc1cc(ccc1O)N 62a_100000747473_100011534360 [0,2,0,0,0,0|1,1,0]=4 10420 B13R1.893 NC(=O)CSc1cc(ccc1O)N 62a_100011534360_100000747473 [0,2,0,0,0,0|1,1,0]=4 10421 B13R1.893 NC(=O)CSc1cc(ccc1O)O 62a_100000747473_100009813629 [0,2,0,0,0,0|1,1,0]=4 10422 B13R1.893 Nc1ccc(c(c1)OCC(=O)[O-])Cl 34a_100011934209_100020667443 [0,2,0,0,0,0|0,0,1]=3 10423 B13R1.893 Nc1ccc(c(c1)OCC(=O)[O-])F 34a_100012017398_100020667443 [0,2,0,0,0,0|0,0,1]=3 10424 B13R1.893 Nc1ccc(c(c1)OCC(=O)[O-])N 34a_100025717382_100020667443 [0,2,0,0,0,0|0,0,1]=3 10425 B13R1.893 Nc1ccc(c(c1)OC[N+](=O)[O-])Cl 34a_100011934209_100000761209 [0,2,0,0,0,0|1,0,1]=4 10426 B13R1.893 Nc1ccc(c(c1)OC[N+](=O)[O-])F 34a_100012017398_100000761209 [0,2,0,0,0,0|1,0,1]=4 10427 B13R1.893 Nc1ccc(c(c1)OC[N+](=O)[O-])N 34a_100025717382_100000761209 [0,2,0,0,0,0|1,0,1]=4 10428 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])Br 62a_100000750459_100020667443 [0,2,0,0,0,0|0,1,1]=4 10429 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])Br 62a_100020667443_100000750459 [0,2,0,0,0,0|0,1,1]=4 10430 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100012360549_100020667443 [0,2,0,0,0,0|0,1,1]=4 10431 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100020667443_100012360549 [0,2,0,0,0,0|0,1,1]=4 10432 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])F 62a_100000760356_100020667443 [0,2,0,0,0,0|0,1,1]=4 10433 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])F 62a_100020667443_100000760356 [0,2,0,0,0,0|0,1,1]=4 10434 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])N 62a_100011534242_100020667443 [0,2,0,0,0,0|0,1,1]=4 10435 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])N 62a_100020667443_100011534242 [0,2,0,0,0,0|0,1,1]=4 10436 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])O 62a_100011534360_100020667443 [0,2,0,0,0,0|0,1,1]=4 10437 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100011534360 [0,2,0,0,0,0|0,1,1]=4 10438 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])Br 34a_100000739049_100020667443 [0,2,0,0,0,0|0,0,1]=3 10439 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])Cl 34a_100000185728_100020667443 [0,2,0,0,0,0|0,0,1]=3 10440 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])F 34a_100000753323_100020667443 [0,2,0,0,0,0|0,0,1]=3 10441 B13R1.893 Nc1ccc(cc1OCC(=O)[O-])I 34a_100000057187_100020667443 [0,2,0,0,0,0|0,0,1]=3 10442 B13R1.893 Nc1ccc(cc1OC[N+](=O)[O-])Br 34a_100000739049_100000761209 [0,2,0,0,0,0|1,0,1]=4 10443 B13R1.893 Nc1ccc(cc1OC[N+](=O)[O-])Cl 34a_100000185728_100000761209 [0,2,0,0,0,0|1,0,1]=4 10444 B13R1.893 Nc1ccc(cc1OC[N+](=O)[O-])F 34a_100000753323_100000761209 [0,2,0,0,0,0|1,0,1]=4 10445 B13R1.893 Nc1ccc(cc1OC[N+](=O)[O-])I 34a_100000057187_100000761209 [0,2,0,0,0,0|1,0,1]=4 10446 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])Br 62a_100000187925_100020667443 [0,2,0,0,0,0|0,1,1]=4 10447 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])Br 62a_100020667443_100000187925 [0,2,0,0,0,0|0,1,1]=4 10448 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])Cl 62a_100000761889_100020667443 [0,2,0,0,0,0|0,1,1]=4 10449 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])Cl 62a_100020667443_100000761889 [0,2,0,0,0,0|0,1,1]=4 10450 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])F 62a_100000760547_100020667443 [0,2,0,0,0,0|0,1,1]=4 10451 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])F 62a_100020667443_100000760547 [0,2,0,0,0,0|0,1,1]=4 10452 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])O 62a_100012001276_100020667443 [0,2,0,0,0,0|0,1,1]=4 10453 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])O 62a_100020667443_100012001276 [0,2,0,0,0,0|0,1,1]=4 10454 B13R1.893 Nc1ncc(cc1OCC(=O)[O-])Br 34a_100009819042_100020667443 [0,2,0,0,0,0|1,0,1]=4 10455 B13R1.893 Nc1ncc(cc1OCC(=O)[O-])Cl 34a_100000123674_100020667443 [0,2,0,0,0,0|1,0,1]=4 10456 B13R1.893 Nc1ncc(cc1OCC(=O)[O-])F 34a_100000094369_100020667443 [0,2,0,0,0,0|1,0,1]=4 10457 B13R1.893 O=C([O-])CNc1cc(ccc1Br)Br 34a_100000737762_100020667443 [0,2,0,0,0,0|1,0,1]=4 10458 B13R1.893 O=C([O-])CNc1cc(ccc1Br)Cl 34a_100000687073_100020667443 [0,2,0,0,0,0|1,0,1]=4 10459 B13R1.893 O=C([O-])CNc1cc(ccc1Br)F 34a_100000687223_100020667443 [0,2,0,0,0,0|1,0,1]=4 10460 B13R1.893 O=C([O-])CNc1cc(ccc1Br)O 34a_100011999798_100020667443 [0,2,0,0,0,0|1,0,1]=4 10461 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)Br 34a_100000750497_100020667443 [0,2,0,0,0,0|1,0,1]=4 10462 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)Cl 34a_100000184485_100020667443 [0,2,0,0,0,0|1,0,1]=4 10463 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)F 34a_100000751338_100020667443 [0,2,0,0,0,0|1,0,1]=4 10464 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)I 34a_200000761891_100020667443 [0,2,0,0,0,0|1,0,1]=4 10465 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)O 34a_100011934297_100020667443 [0,2,0,0,0,0|1,0,1]=4 10466 B13R1.893 O=C([O-])CNc1cc(ccc1F)Br 34a_100000740924_100020667443 [0,2,0,0,0,0|1,0,1]=4 10467 B13R1.893 O=C([O-])CNc1cc(ccc1F)Cl 34a_100000212115_100020667443 [0,2,0,0,0,0|1,0,1]=4 10468 B13R1.893 O=C([O-])CNc1cc(ccc1F)F 34a_100000210742_100020667443 [0,2,0,0,0,0|1,0,1]=4 10469 B13R1.893 O=C([O-])CNc1cc(ccc1F)I 34a_100011464823_100020667443 [0,2,0,0,0,0|1,0,1]=4 10470 B13R1.893 O=C([O-])CNc1cc(ccc1F)O 34a_100012017239_100020667443 [0,2,0,0,0,0|1,0,1]=4 10471 B13R1.893 O=C([O-])CNc1cc(ccc1I)Br 34a_100000743836_100020667443 [0,2,0,0,0,0|1,0,1]=4 10472 B13R1.893 O=C([O-])CNc1cc(ccc1I)Cl 34a_100000761886_100020667443 [0,2,0,0,0,0|1,0,1]=4 10473 B13R1.893 O=C([O-])CNc1cc(ccc1I)F 34a_100011218093_100020667443 [0,2,0,0,0,0|1,0,1]=4 10474 B13R1.893 O=C([O-])CNc1cc(ccc1O)Br 34a_100000752626_100020667443 [0,2,0,0,0,0|1,0,1]=4 10475 B13R1.893 O=C([O-])CNc1cc(ccc1O)Cl 34a_100000210500_100020667443 [0,2,0,0,0,0|1,0,1]=4 10476 B13R1.893 O=C([O-])CNc1cc(ccc1O)F 34a_100000759472_100020667443 [0,2,0,0,0,0|1,0,1]=4 10477 B13R1.893 O=C([O-])COc1cc(=O)[nH]cc1Cl 34a_100000069390_100020667443 [0,2,0,0,0,0|1,0,1]=4 10478 B13R1.893 O=C([O-])COc1cc(ccc1Br)Br 34a_100011220040_100020667443 [0,2,0,0,0,0|0,0,1]=3 10479 B13R1.893 O=C([O-])COc1cc(ccc1Br)Cl 34a_100012339455_100020667443 [0,2,0,0,0,0|0,0,1]=3 10480 B13R1.893 O=C([O-])COc1cc(ccc1Br)F 34a_100000690578_100020667443 [0,2,0,0,0,0|0,0,1]=3 10481 B13R1.893 O=C([O-])COc1cc(ccc1Br)I 34a_100012356990_100020667443 [0,2,0,0,0,0|0,0,1]=3 10482 B13R1.893 O=C([O-])COc1cc(ccc1Cl)Br 34a_100000738945_100020667443 [0,2,0,0,0,0|0,0,1]=3 10483 B13R1.893 O=C([O-])COc1cc(ccc1Cl)Cl 34a_100000211422_100020667443 [0,2,0,0,0,0|0,0,1]=3 10484 B13R1.893 O=C([O-])COc1cc(ccc1Cl)F 34a_100000692107_100020667443 [0,2,0,0,0,0|0,0,1]=3 10485 B13R1.893 O=C([O-])COc1cc(ccc1Cl)I 34a_100011356854_100020667443 [0,2,0,0,0,0|0,0,1]=3 10486 B13R1.893 O=C([O-])COc1cc(ccc1F)Br 34a_100000686035_100020667443 [0,2,0,0,0,0|0,0,1]=3 10487 B13R1.893 O=C([O-])COc1cc(ccc1F)Cl 34a_100000757397_100020667443 [0,2,0,0,0,0|0,0,1]=3 10488 B13R1.893 O=C([O-])COc1cc(ccc1F)F 34a_100000752141_100020667443 [0,2,0,0,0,0|0,0,1]=3 10489 B13R1.893 O=C([O-])COc1cc(ccc1F)I 34a_100009958187_100020667443 [0,2,0,0,0,0|0,0,1]=3 10490 B13R1.893 O=C([O-])COc1cc(ccc1I)Br 34a_100012344904_100020667443 [0,2,0,0,0,0|0,0,1]=3 10491 B13R1.893 O=C([O-])COc1cc(ccc1I)Cl 34a_100000050036_100020667443 [0,2,0,0,0,0|0,0,1]=3 10492 B13R1.893 O=C([O-])COc1cc(ccc1I)F 34a_100010084537_100020667443 [0,2,0,0,0,0|0,0,1]=3 10493 B13R1.893 O=C([O-])COc1cc(cnc1Br)Cl 34a_100000697010_100020667443 [0,2,0,0,0,0|1,0,1]=4 10494 B13R1.893 O=C([O-])COc1cc(cnc1Br)F 34a_100009820119_100020667443 [0,2,0,0,0,0|1,0,1]=4 10495 B13R1.893 O=C([O-])COc1cc(cnc1Cl)Br 34a_100012354860_100020667443 [0,2,0,0,0,0|1,0,1]=4 10496 B13R1.893 O=C([O-])COc1cc(cnc1Cl)F 34a_100000079967_100020667443 [0,2,0,0,0,0|1,0,1]=4 10497 B13R1.893 O=C([O-])COc1cc(cnc1F)Br 34a_100009819871_100020667443 [0,2,0,0,0,0|1,0,1]=4 10498 B13R1.893 O=C([O-])COc1cc(cnc1F)Cl 34a_100000094372_100020667443 [0,2,0,0,0,0|1,0,1]=4 10499 B13R1.893 O=C([O-])COc1cc(cnc1I)Br 34a_100010210634_100020667443 [0,2,0,0,0,0|1,0,1]=4 10500 B13R1.893 O=C([O-])COc1cc(cnc1I)Cl 34a_100010233512_100020667443 [0,2,0,0,0,0|1,0,1]=4 10501 B13R1.893 O=C([O-])COc1cc(cnc1I)F 34a_100015624800_100020667443 [0,2,0,0,0,0|1,0,1]=4 10502 B13R1.893 O=C([O-])COc1cc(ncc1Br)Br 34a_100010235016_100020667443 [0,2,0,0,0,0|1,0,1]=4 10503 B13R1.893 O=C([O-])COc1cc(ncc1Br)Cl 34a_100010173860_100020667443 [0,2,0,0,0,0|1,0,1]=4 10504 B13R1.893 O=C([O-])COc1cc(ncc1Cl)Br 34a_100010173861_100020667443 [0,2,0,0,0,0|1,0,1]=4 10505 B13R1.893 O=C([O-])COc1cc(ncc1F)Br 34a_100009854642_100020667443 [0,2,0,0,0,0|1,0,1]=4 10506 B13R1.893 O=C([O-])COc1cc(ncc1F)Cl 34a_100009851168_100020667443 [0,2,0,0,0,0|1,0,1]=4 10507 B13R1.893 O=C([O-])COc1nc(ccc1F)Cl 34a_100010729010_100020667443 [0,2,0,0,0,0|1,0,1]=4 10508 B13R1.893 O=C([O-])CSc1cc(ccc1Br)Br 62a_100011483371_100020667443 [0,2,0,0,0,0|0,1,1]=4 10509 B13R1.893 O=C([O-])CSc1cc(ccc1Br)Br 62a_100020667443_100011483371 [0,2,0,0,0,0|0,1,1]=4 10510 B13R1.893 O=C([O-])CSc1cc(ccc1Br)Cl 62a_100012339723_100020667443 [0,2,0,0,0,0|0,1,1]=4 10511 B13R1.893 O=C([O-])CSc1cc(ccc1Br)Cl 62a_100020667443_100012339723 [0,2,0,0,0,0|0,1,1]=4 10512 B13R1.893 O=C([O-])CSc1cc(ccc1Br)F 62a_100011217576_100020667443 [0,2,0,0,0,0|0,1,1]=4 10513 B13R1.893 O=C([O-])CSc1cc(ccc1Br)F 62a_100020667443_100011217576 [0,2,0,0,0,0|0,1,1]=4 10514 B13R1.893 O=C([O-])CSc1cc(ccc1Br)O 62a_100012339312_100020667443 [0,2,0,0,0,0|0,1,1]=4 10515 B13R1.893 O=C([O-])CSc1cc(ccc1Br)O 62a_100020667443_100012339312 [0,2,0,0,0,0|0,1,1]=4 10516 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)Br 62a_100011772130_100020667443 [0,2,0,0,0,0|0,1,1]=4 10517 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)Br 62a_100020667443_100011772130 [0,2,0,0,0,0|0,1,1]=4 10518 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)Cl 62a_100000707729_100020667443 [0,2,0,0,0,0|0,1,1]=4 10519 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)Cl 62a_100020667443_100000707729 [0,2,0,0,0,0|0,1,1]=4 10520 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)F 62a_100011217299_100020667443 [0,2,0,0,0,0|0,1,1]=4 10521 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)F 62a_100020667443_100011217299 [0,2,0,0,0,0|0,1,1]=4 10522 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)O 62a_100000049588_100020667443 [0,2,0,0,0,0|0,1,1]=4 10523 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)O 62a_100020667443_100000049588 [0,2,0,0,0,0|0,1,1]=4 10524 B13R1.893 O=C([O-])CSc1cc(ccc1F)Br 62a_100011217312_100020667443 [0,2,0,0,0,0|0,1,1]=4 10525 B13R1.893 O=C([O-])CSc1cc(ccc1F)Br 62a_100020667443_100011217312 [0,2,0,0,0,0|0,1,1]=4 10526 B13R1.893 O=C([O-])CSc1cc(ccc1F)Cl 62a_100011218116_100020667443 [0,2,0,0,0,0|0,1,1]=4 10527 B13R1.893 O=C([O-])CSc1cc(ccc1F)Cl 62a_100020667443_100011218116 [0,2,0,0,0,0|0,1,1]=4 10528 B13R1.893 O=C([O-])CSc1cc(ccc1F)F 62a_100011219198_100020667443 [0,2,0,0,0,0|0,1,1]=4 10529 B13R1.893 O=C([O-])CSc1cc(ccc1F)F 62a_100020667443_100011219198 [0,2,0,0,0,0|0,1,1]=4 10530 B13R1.893 O=C([O-])CSc1cc(ccc1F)O 62a_100000693481_100020667443 [0,2,0,0,0,0|0,1,1]=4 10531 B13R1.893 O=C([O-])CSc1cc(ccc1F)O 62a_100020667443_100000693481 [0,2,0,0,0,0|0,1,1]=4 10532 B13R1.893 O=C([O-])CSc1cc(ccc1O)Br 62a_100012355227_100020667443 [0,2,0,0,0,0|0,1,1]=4 10533 B13R1.893 O=C([O-])CSc1cc(ccc1O)Br 62a_100020667443_100012355227 [0,2,0,0,0,0|0,1,1]=4 10534 B13R1.893 O=C([O-])CSc1cc(ccc1O)Cl 62a_100011356953_100020667443 [0,2,0,0,0,0|0,1,1]=4 10535 B13R1.893 O=C([O-])CSc1cc(ccc1O)Cl 62a_100020667443_100011356953 [0,2,0,0,0,0|0,1,1]=4 10536 B13R1.893 O=C([O-])CSc1cc(ccc1O)F 62a_100000211999_100020667443 [0,2,0,0,0,0|0,1,1]=4 10537 B13R1.893 O=C([O-])CSc1cc(ccc1O)F 62a_100020667443_100000211999 [0,2,0,0,0,0|0,1,1]=4 10538 B13R1.893 O=C([O-])CSc1cc(ccc1O)O 62a_100020667443_100009813629 [0,2,0,0,0,0|0,1,1]=4 10539 B13R1.893 O=[N+]([O-])COc1cc(ccc1Br)Br 34a_100011220040_100000761209 [0,2,0,0,0,0|1,0,1]=4 10540 B13R1.893 O=[N+]([O-])COc1cc(ccc1Br)Cl 34a_100012339455_100000761209 [0,2,0,0,0,0|1,0,1]=4 10541 B13R1.893 O=[N+]([O-])COc1cc(ccc1Br)F 34a_100000690578_100000761209 [0,2,0,0,0,0|1,0,1]=4 10542 B13R1.893 O=[N+]([O-])COc1cc(ccc1Br)I 34a_100012356990_100000761209 [0,2,0,0,0,0|1,0,1]=4 10543 B13R1.893 O=[N+]([O-])COc1cc(ccc1Cl)Br 34a_100000738945_100000761209 [0,2,0,0,0,0|1,0,1]=4 10544 B13R1.893 O=[N+]([O-])COc1cc(ccc1Cl)Cl 34a_100000211422_100000761209 [0,2,0,0,0,0|1,0,1]=4 10545 B13R1.893 O=[N+]([O-])COc1cc(ccc1Cl)F 34a_100000692107_100000761209 [0,2,0,0,0,0|1,0,1]=4 10546 B13R1.893 O=[N+]([O-])COc1cc(ccc1Cl)I 34a_100011356854_100000761209 [0,2,0,0,0,0|1,0,1]=4 10547 B13R1.893 O=[N+]([O-])COc1cc(ccc1F)Br 34a_100000686035_100000761209 [0,2,0,0,0,0|1,0,1]=4 10548 B13R1.893 O=[N+]([O-])COc1cc(ccc1F)Cl 34a_100000757397_100000761209 [0,2,0,0,0,0|1,0,1]=4 10549 B13R1.893 O=[N+]([O-])COc1cc(ccc1F)F 34a_100000752141_100000761209 [0,2,0,0,0,0|1,0,1]=4 10550 B13R1.893 O=[N+]([O-])COc1cc(ccc1F)I 34a_100009958187_100000761209 [0,2,0,0,0,0|1,0,1]=4 10551 B13R1.893 O=[N+]([O-])COc1cc(ccc1I)Br 34a_100012344904_100000761209 [0,2,0,0,0,0|1,0,1]=4 10552 B13R1.893 O=[N+]([O-])COc1cc(ccc1I)Cl 34a_100000050036_100000761209 [0,2,0,0,0,0|1,0,1]=4 10553 B13R1.893 O=[N+]([O-])COc1cc(ccc1I)F 34a_100010084537_100000761209 [0,2,0,0,0,0|1,0,1]=4 10554 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Br)F 1458a_100000685340_200025704644 [0,2,0,0,0,0|2,0,0]=4 10555 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)Br 1458a_100010145785_200025704644 [0,2,0,0,0,0|2,0,0]=4 10556 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)Cl 1458a_200012258936_200025704644 [0,2,0,0,0,0|2,0,0]=4 10557 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)F 1458a_100012357546_200025704644 [0,2,0,0,0,0|2,0,0]=4 10558 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)Br 1458a_100000694007_200025704644 [0,2,0,0,0,0|2,0,0]=4 10559 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)Cl 1458a_200012349660_200025704644 [0,2,0,0,0,0|2,0,0]=4 10560 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)F 1458a_100000744313_200025704644 [0,2,0,0,0,0|2,0,0]=4 10561 B13R1.893 [13CH3]C(=O)COc1cc(ccc1Br)Cl 1458a_100015481456_200025704644 [0,2,0,0,0,0|1,0,0]=3 10562 B13R1.893 [13CH3]C(=O)COc1cc(ccc1Cl)Cl 1458a_100000187393_200025704644 [0,2,0,0,0,0|1,0,0]=3 10563 B13R1.893 [13CH3]C(=O)COc1cc(ccc1F)F 1458a_100000752474_200025704644 [0,2,0,0,0,0|1,0,0]=3 10564 B13R1.893 [13CH3]C(=O)CSc1cc(ccc1Cl)Cl 1458a_100000179523_200025704644 [0,2,0,0,0,0|1,1,0]=4 10565 B13R1.3787 C=C(C)COc1c(cccc1Br)Br 34a_100000736428_100000748629 [0,2,0,0,0,0|2,0,0]=4 10566 B13R1.3787 C=C(C)COc1c(cccc1Br)Br 7a_100000736428_100000748629 [0,2,0,0,0,0|2,0,0]=4 10567 B13R1.3787 C=C(C)COc1c(cccc1Br)C 34a_100009817157_100000748629 [0,2,0,0,0,0|2,0,0]=4 10568 B13R1.3787 C=C(C)COc1c(cccc1Br)C 7a_100009817157_100000748629 [0,2,0,0,0,0|2,0,0]=4 10569 B13R1.3787 C=C(C)COc1c(cccc1Br)Cl 34a_100010214474_100000748629 [0,2,0,0,0,0|2,0,0]=4 10570 B13R1.3787 C=C(C)COc1c(cccc1Br)Cl 7a_100010214474_100000748629 [0,2,0,0,0,0|2,0,0]=4 10571 B13R1.3787 C=C(C)COc1c(cccc1Br)F 34a_100009813666_100000748629 [0,2,0,0,0,0|2,0,0]=4 10572 B13R1.3787 C=C(C)COc1c(cccc1Br)F 7a_100009813666_100000748629 [0,2,0,0,0,0|2,0,0]=4 10573 B13R1.3787 C=C(C)COc1c(cccc1Br)N 34a_100011934915_100000748629 [0,2,0,0,0,0|2,0,0]=4 10574 B13R1.3787 C=C(C)COc1c(cccc1C)C 34a_100000210341_100000748629 [0,2,0,0,0,0|2,0,0]=4 10575 B13R1.3787 C=C(C)COc1c(cccc1C)C 7a_100000210341_100000748629 [0,2,0,0,0,0|2,0,0]=4 10576 B13R1.3787 C=C(C)COc1c(cccc1Cl)C 34a_100000033731_100000748629 [0,2,0,0,0,0|2,0,0]=4 10577 B13R1.3787 C=C(C)COc1c(cccc1Cl)C 7a_100000033731_100000748629 [0,2,0,0,0,0|2,0,0]=4 10578 B13R1.3787 C=C(C)COc1c(cccc1Cl)Cl 34a_100000211709_100000748629 [0,2,0,0,0,0|2,0,0]=4 10579 B13R1.3787 C=C(C)COc1c(cccc1Cl)Cl 7a_100000211709_100000748629 [0,2,0,0,0,0|2,0,0]=4 10580 B13R1.3787 C=C(C)COc1c(cccc1Cl)F 34a_100000694953_100000748629 [0,2,0,0,0,0|2,0,0]=4 10581 B13R1.3787 C=C(C)COc1c(cccc1Cl)F 7a_100000694953_100000748629 [0,2,0,0,0,0|2,0,0]=4 10582 B13R1.3787 C=C(C)COc1c(cccc1Cl)N 34a_100000754742_100000748629 [0,2,0,0,0,0|2,0,0]=4 10583 B13R1.3787 C=C(C)COc1c(cccc1F)C 34a_100011659162_100000748629 [0,2,0,0,0,0|2,0,0]=4 10584 B13R1.3787 C=C(C)COc1c(cccc1F)C 7a_100011659162_100000748629 [0,2,0,0,0,0|2,0,0]=4 10585 B13R1.3787 C=C(C)COc1c(cccc1F)F 34a_100000230165_100000748629 [0,2,0,0,0,0|2,0,0]=4 10586 B13R1.3787 C=C(C)COc1c(cccc1F)F 7a_100000230165_100000748629 [0,2,0,0,0,0|2,0,0]=4 10587 B13R1.3787 C=C(C)COc1c(cccc1F)N 34a_100011934987_100000748629 [0,2,0,0,0,0|2,0,0]=4 10588 B13R1.3787 C=C(C)COc1c(cccc1I)Br 34a_100010084509_100000748629 [0,2,0,0,0,0|2,0,0]=4 10589 B13R1.3787 C=C(C)COc1c(cccc1I)Br 7a_100010084509_100000748629 [0,2,0,0,0,0|2,0,0]=4 10590 B13R1.3787 C=C(C)COc1c(cccc1I)Cl 34a_100010202889_100000748629 [0,2,0,0,0,0|2,0,0]=4 10591 B13R1.3787 C=C(C)COc1c(cccc1I)Cl 7a_100010202889_100000748629 [0,2,0,0,0,0|2,0,0]=4 10592 B13R1.3787 C=C(C)COc1c(cccc1I)F 34a_100010186298_100000748629 [0,2,0,0,0,0|2,0,0]=4 10593 B13R1.3787 C=C(C)COc1c(cccc1I)F 7a_100010186298_100000748629 [0,2,0,0,0,0|2,0,0]=4 10594 B13R1.3787 C=C(C)COc1c(cccc1I)N 34a_100010084371_100000748629 [0,2,0,0,0,0|2,0,0]=4 10595 B13R1.3787 C=C(C)COc1c(cccc1N)C 34a_100000756359_100000748629 [0,2,0,0,0,0|2,0,0]=4 10596 B13R1.3787 C=C(C)COc1c(cccc1N)C 7a_100000756359_100000748629 [0,2,0,0,0,0|2,0,0]=4 10597 B13R1.3787 C=C(C)COc1c(cccc1N)N 34a_200016994477_100000748629 [0,2,0,0,0,0|2,0,0]=4 10598 B13R1.3787 C=C(F)COc1c(cccc1Br)Br 34a_100000736428_100009893438 [0,2,0,0,0,0|2,0,0]=4 10599 B13R1.3787 C=C(F)COc1c(cccc1Br)Br 7a_100000736428_100000042424 [0,2,0,0,0,0|2,0,0]=4 10600 B13R1.3787 C=C(F)COc1c(cccc1Br)C 34a_100009817157_100009893438 [0,2,0,0,0,0|2,0,0]=4 10601 B13R1.3787 C=C(F)COc1c(cccc1Br)C 7a_100009817157_100000042424 [0,2,0,0,0,0|2,0,0]=4 10602 B13R1.3787 C=C(F)COc1c(cccc1Br)Cl 34a_100010214474_100009893438 [0,2,0,0,0,0|2,0,0]=4 10603 B13R1.3787 C=C(F)COc1c(cccc1Br)Cl 7a_100010214474_100000042424 [0,2,0,0,0,0|2,0,0]=4 10604 B13R1.3787 C=C(F)COc1c(cccc1Br)F 34a_100009813666_100009893438 [0,2,0,0,0,0|2,0,0]=4 10605 B13R1.3787 C=C(F)COc1c(cccc1Br)F 7a_100009813666_100000042424 [0,2,0,0,0,0|2,0,0]=4 10606 B13R1.3787 C=C(F)COc1c(cccc1Br)N 34a_100011934915_100009893438 [0,2,0,0,0,0|2,0,0]=4 10607 B13R1.3787 C=C(F)COc1c(cccc1C)C 34a_100000210341_100009893438 [0,2,0,0,0,0|2,0,0]=4 10608 B13R1.3787 C=C(F)COc1c(cccc1C)C 7a_100000210341_100000042424 [0,2,0,0,0,0|2,0,0]=4 10609 B13R1.3787 C=C(F)COc1c(cccc1Cl)C 34a_100000033731_100009893438 [0,2,0,0,0,0|2,0,0]=4 10610 B13R1.3787 C=C(F)COc1c(cccc1Cl)C 7a_100000033731_100000042424 [0,2,0,0,0,0|2,0,0]=4 10611 B13R1.3787 C=C(F)COc1c(cccc1Cl)Cl 34a_100000211709_100009893438 [0,2,0,0,0,0|2,0,0]=4 10612 B13R1.3787 C=C(F)COc1c(cccc1Cl)Cl 7a_100000211709_100000042424 [0,2,0,0,0,0|2,0,0]=4 10613 B13R1.3787 C=C(F)COc1c(cccc1Cl)F 34a_100000694953_100009893438 [0,2,0,0,0,0|2,0,0]=4 10614 B13R1.3787 C=C(F)COc1c(cccc1Cl)F 7a_100000694953_100000042424 [0,2,0,0,0,0|2,0,0]=4 10615 B13R1.3787 C=C(F)COc1c(cccc1Cl)N 34a_100000754742_100009893438 [0,2,0,0,0,0|2,0,0]=4 10616 B13R1.3787 C=C(F)COc1c(cccc1F)C 34a_100011659162_100009893438 [0,2,0,0,0,0|2,0,0]=4 10617 B13R1.3787 C=C(F)COc1c(cccc1F)C 7a_100011659162_100000042424 [0,2,0,0,0,0|2,0,0]=4 10618 B13R1.3787 C=C(F)COc1c(cccc1F)F 34a_100000230165_100009893438 [0,2,0,0,0,0|2,0,0]=4 10619 B13R1.3787 C=C(F)COc1c(cccc1F)F 7a_100000230165_100000042424 [0,2,0,0,0,0|2,0,0]=4 10620 B13R1.3787 C=C(F)COc1c(cccc1F)N 34a_100011934987_100009893438 [0,2,0,0,0,0|2,0,0]=4 10621 B13R1.3787 C=C(F)COc1c(cccc1I)Br 34a_100010084509_100009893438 [0,2,0,0,0,0|2,0,0]=4 10622 B13R1.3787 C=C(F)COc1c(cccc1I)Br 7a_100010084509_100000042424 [0,2,0,0,0,0|2,0,0]=4 10623 B13R1.3787 C=C(F)COc1c(cccc1I)Cl 34a_100010202889_100009893438 [0,2,0,0,0,0|2,0,0]=4 10624 B13R1.3787 C=C(F)COc1c(cccc1I)Cl 7a_100010202889_100000042424 [0,2,0,0,0,0|2,0,0]=4 10625 B13R1.3787 C=C(F)COc1c(cccc1I)F 34a_100010186298_100009893438 [0,2,0,0,0,0|2,0,0]=4 10626 B13R1.3787 C=C(F)COc1c(cccc1I)F 7a_100010186298_100000042424 [0,2,0,0,0,0|2,0,0]=4 10627 B13R1.3787 C=C(F)COc1c(cccc1I)N 34a_100010084371_100009893438 [0,2,0,0,0,0|2,0,0]=4 10628 B13R1.3787 C=C(F)COc1c(cccc1N)C 34a_100000756359_100009893438 [0,2,0,0,0,0|2,0,0]=4 10629 B13R1.3787 C=C(F)COc1c(cccc1N)C 7a_100000756359_100000042424 [0,2,0,0,0,0|2,0,0]=4 10630 B13R1.3787 C=C(F)COc1c(cccc1N)N 34a_200016994477_100009893438 [0,2,0,0,0,0|2,0,0]=4 10631 B13R1.3787 CC(=O)CCc1c(cccc1C)C 1458a_200011998103_200000210301 [0,2,0,0,0,0|2,0,0]=4 10632 B13R1.3787 CC(=O)CCc1c(cccc1Cl)Cl 1458a_100000070787_100012161200 [0,2,0,0,0,0|2,0,0]=4 10633 B13R1.3787 CC(=O)CCc1c(cccc1Cl)Cl 1458a_100011225048_200000210301 [0,2,0,0,0,0|2,0,0]=4 10634 B13R1.3787 CC(=O)CCc1c(cccc1Cl)F 1458a_100011225049_200000210301 [0,2,0,0,0,0|2,0,0]=4 10635 B13R1.3787 CC(=O)CCc1c(cccc1F)F 1458a_100000738981_200000210301 [0,2,0,0,0,0|2,0,0]=4 10636 B13R1.3787 CC(=O)COc1c(cccc1C)C 1458a_100000184085_200000210301 [0,2,0,0,0,0|1,0,0]=3 10637 B13R1.3787 CC(=O)COc1c(cccc1Cl)Cl 1458a_100000184137_200000210301 [0,2,0,0,0,0|1,0,0]=3 10638 B13R1.3787 CC(=O)CSc1c(cccc1Cl)Cl 1458a_100000184567_200000210301 [0,2,0,0,0,0|1,1,0]=4 10639 B13R1.3787 CC(O)COc1c(cccc1Br)Br 34a_100000736428_100011218427 [0,2,0,0,0,0|1,0,1]=4 10640 B13R1.3787 CC(O)COc1c(cccc1Br)Br 7a_100000736428_100011218427 [0,2,0,0,0,0|1,0,1]=4 10641 B13R1.3787 CC(O)COc1c(cccc1Br)Cl 34a_100010214474_100011218427 [0,2,0,0,0,0|1,0,1]=4 10642 B13R1.3787 CC(O)COc1c(cccc1Br)Cl 7a_100010214474_100011218427 [0,2,0,0,0,0|1,0,1]=4 10643 B13R1.3787 CC(O)COc1c(cccc1Br)F 34a_100009813666_100011218427 [0,2,0,0,0,0|1,0,1]=4 10644 B13R1.3787 CC(O)COc1c(cccc1Br)F 7a_100009813666_100011218427 [0,2,0,0,0,0|1,0,1]=4 10645 B13R1.3787 CC(O)COc1c(cccc1Br)N 34a_100011934915_100011218427 [0,2,0,0,0,0|1,0,1]=4 10646 B13R1.3787 CC(O)COc1c(cccc1Cl)Cl 34a_100000211709_100011218427 [0,2,0,0,0,0|1,0,1]=4 10647 B13R1.3787 CC(O)COc1c(cccc1Cl)Cl 7a_100000211709_100011218427 [0,2,0,0,0,0|1,0,1]=4 10648 B13R1.3787 CC(O)COc1c(cccc1Cl)F 34a_100000694953_100011218427 [0,2,0,0,0,0|1,0,1]=4 10649 B13R1.3787 CC(O)COc1c(cccc1Cl)F 7a_100000694953_100011218427 [0,2,0,0,0,0|1,0,1]=4 10650 B13R1.3787 CC(O)COc1c(cccc1Cl)N 34a_100000754742_100011218427 [0,2,0,0,0,0|1,0,1]=4 10651 B13R1.3787 CC(O)COc1c(cccc1F)F 34a_100000230165_100011218427 [0,2,0,0,0,0|1,0,1]=4 10652 B13R1.3787 CC(O)COc1c(cccc1F)F 7a_100000230165_100011218427 [0,2,0,0,0,0|1,0,1]=4 10653 B13R1.3787 CC(O)COc1c(cccc1F)N 34a_100011934987_100011218427 [0,2,0,0,0,0|1,0,1]=4 10654 B13R1.3787 CC(O)COc1c(cccc1I)Br 34a_100010084509_100011218427 [0,2,0,0,0,0|1,0,1]=4 10655 B13R1.3787 CC(O)COc1c(cccc1I)Br 7a_100010084509_100011218427 [0,2,0,0,0,0|1,0,1]=4 10656 B13R1.3787 CC(O)COc1c(cccc1I)Cl 34a_100010202889_100011218427 [0,2,0,0,0,0|1,0,1]=4 10657 B13R1.3787 CC(O)COc1c(cccc1I)Cl 7a_100010202889_100011218427 [0,2,0,0,0,0|1,0,1]=4 10658 B13R1.3787 CC(O)COc1c(cccc1I)F 34a_100010186298_100011218427 [0,2,0,0,0,0|1,0,1]=4 10659 B13R1.3787 CC(O)COc1c(cccc1I)F 7a_100010186298_100011218427 [0,2,0,0,0,0|1,0,1]=4 10660 B13R1.3787 CC(O)COc1c(cccc1I)N 34a_100010084371_100011218427 [0,2,0,0,0,0|1,0,1]=4 10661 B13R1.3787 CC(O)COc1c(cccc1N)N 34a_200016994477_100011218427 [0,2,0,0,0,0|1,0,1]=4 10662 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)Br 34a_100000736428_100009817552 [0,2,0,0,0,0|1,0,1]=4 10663 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)Br 7a_100000736428_100009817552 [0,2,0,0,0,0|1,0,1]=4 10664 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)Cl 34a_100010214474_100009817552 [0,2,0,0,0,0|1,0,1]=4 10665 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)Cl 7a_100010214474_100009817552 [0,2,0,0,0,0|1,0,1]=4 10666 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)F 34a_100009813666_100009817552 [0,2,0,0,0,0|1,0,1]=4 10667 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)F 7a_100009813666_100009817552 [0,2,0,0,0,0|1,0,1]=4 10668 B13R1.3787 C[C@@H](O)COc1c(cccc1Br)N 34a_100011934915_100009817552 [0,2,0,0,0,0|1,0,1]=4 10669 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)Cl 34a_100000211709_100009817552 [0,2,0,0,0,0|1,0,1]=4 10670 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)Cl 7a_100000211709_100009817552 [0,2,0,0,0,0|1,0,1]=4 10671 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)F 34a_100000694953_100009817552 [0,2,0,0,0,0|1,0,1]=4 10672 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)F 7a_100000694953_100009817552 [0,2,0,0,0,0|1,0,1]=4 10673 B13R1.3787 C[C@@H](O)COc1c(cccc1Cl)N 34a_100000754742_100009817552 [0,2,0,0,0,0|1,0,1]=4 10674 B13R1.3787 C[C@@H](O)COc1c(cccc1F)F 34a_100000230165_100009817552 [0,2,0,0,0,0|1,0,1]=4 10675 B13R1.3787 C[C@@H](O)COc1c(cccc1F)F 7a_100000230165_100009817552 [0,2,0,0,0,0|1,0,1]=4 10676 B13R1.3787 C[C@@H](O)COc1c(cccc1F)N 34a_100011934987_100009817552 [0,2,0,0,0,0|1,0,1]=4 10677 B13R1.3787 C[C@@H](O)COc1c(cccc1I)Br 34a_100010084509_100009817552 [0,2,0,0,0,0|1,0,1]=4 10678 B13R1.3787 C[C@@H](O)COc1c(cccc1I)Br 7a_100010084509_100009817552 [0,2,0,0,0,0|1,0,1]=4 10679 B13R1.3787 C[C@@H](O)COc1c(cccc1I)Cl 34a_100010202889_100009817552 [0,2,0,0,0,0|1,0,1]=4 10680 B13R1.3787 C[C@@H](O)COc1c(cccc1I)Cl 7a_100010202889_100009817552 [0,2,0,0,0,0|1,0,1]=4 10681 B13R1.3787 C[C@@H](O)COc1c(cccc1I)F 34a_100010186298_100009817552 [0,2,0,0,0,0|1,0,1]=4 10682 B13R1.3787 C[C@@H](O)COc1c(cccc1I)F 7a_100010186298_100009817552 [0,2,0,0,0,0|1,0,1]=4 10683 B13R1.3787 C[C@@H](O)COc1c(cccc1I)N 34a_100010084371_100009817552 [0,2,0,0,0,0|1,0,1]=4 10684 B13R1.3787 C[C@@H](O)COc1c(cccc1N)N 34a_200016994477_100009817552 [0,2,0,0,0,0|1,0,1]=4 10685 B13R1.3787 Cc1cccc(c1CCC(=O)[13CH3])C 1458a_200011998103_200025704644 [0,2,0,0,0,0|2,0,0]=4 10686 B13R1.3787 Cc1cccc(c1NCC(=O)N)Br 34a_100011834072_100000187820 [0,2,0,0,0,0|2,0,0]=4 10687 B13R1.3787 Cc1cccc(c1NCC(=O)N)C 34a_100000185769_100000187820 [0,2,0,0,0,0|2,0,0]=4 10688 B13R1.3787 Cc1cccc(c1NCC(=O)N)Cl 34a_100000756524_100000187820 [0,2,0,0,0,0|2,0,0]=4 10689 B13R1.3787 Cc1cccc(c1NCC(=O)N)F 34a_100000766463_100000187820 [0,2,0,0,0,0|2,0,0]=4 10690 B13R1.3787 Cc1cccc(c1NCC(=O)N)O 34a_100000743429_100000187820 [0,2,0,0,0,0|2,0,0]=4 10691 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])Br 34a_100011834072_100020667443 [0,2,0,0,0,0|1,0,1]=4 10692 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])C 34a_100000185769_100020667443 [0,2,0,0,0,0|1,0,1]=4 10693 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])Cl 34a_100000756524_100020667443 [0,2,0,0,0,0|1,0,1]=4 10694 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])F 34a_100000766463_100020667443 [0,2,0,0,0,0|1,0,1]=4 10695 B13R1.3787 Cc1cccc(c1NCC(=O)[O-])O 34a_100000743429_100020667443 [0,2,0,0,0,0|1,0,1]=4 10696 B13R1.3787 Cc1cccc(c1OCC(=O)N)Br 34a_100009817157_100000187820 [0,2,0,0,0,0|1,0,0]=3 10697 B13R1.3787 Cc1cccc(c1OCC(=O)N)Br 7a_100009817157_100000187820 [0,2,0,0,0,0|1,0,0]=3 10698 B13R1.3787 Cc1cccc(c1OCC(=O)N)C 34a_100000210341_100000187820 [0,2,0,0,0,0|1,0,0]=3 10699 B13R1.3787 Cc1cccc(c1OCC(=O)N)C 7a_100000210341_100000187820 [0,2,0,0,0,0|1,0,0]=3 10700 B13R1.3787 Cc1cccc(c1OCC(=O)N)Cl 34a_100000033731_100000187820 [0,2,0,0,0,0|1,0,0]=3 10701 B13R1.3787 Cc1cccc(c1OCC(=O)N)Cl 7a_100000033731_100000187820 [0,2,0,0,0,0|1,0,0]=3 10702 B13R1.3787 Cc1cccc(c1OCC(=O)N)F 34a_100011659162_100000187820 [0,2,0,0,0,0|1,0,0]=3 10703 B13R1.3787 Cc1cccc(c1OCC(=O)N)F 7a_100011659162_100000187820 [0,2,0,0,0,0|1,0,0]=3 10704 B13R1.3787 Cc1cccc(c1OCC(=O)N)N 34a_100000756359_100000187820 [0,2,0,0,0,0|1,0,0]=3 10705 B13R1.3787 Cc1cccc(c1OCC(=O)N)N 7a_100000756359_100000187820 [0,2,0,0,0,0|1,0,0]=3 10706 B13R1.3787 Cc1cccc(c1OCC(=O)[13CH3])C 1458a_100000184085_200025704644 [0,2,0,0,0,0|1,0,0]=3 10707 B13R1.3787 Cc1cccc(c1OCC(=O)[O-])Br 34a_100009817157_100020667443 [0,2,0,0,0,0|0,0,1]=3 10708 B13R1.3787 Cc1cccc(c1OCC(=O)[O-])C 34a_100000210341_100020667443 [0,2,0,0,0,0|0,0,1]=3 10709 B13R1.3787 Cc1cccc(c1OCC(=O)[O-])Cl 34a_100000033731_100020667443 [0,2,0,0,0,0|0,0,1]=3 10710 B13R1.3787 Cc1cccc(c1OCC(=O)[O-])F 34a_100011659162_100020667443 [0,2,0,0,0,0|0,0,1]=3 10711 B13R1.3787 Cc1cccc(c1OCC(=O)[O-])N 34a_100000756359_100020667443 [0,2,0,0,0,0|0,0,1]=3 10712 B13R1.3787 Cc1cccc(c1OCC(C)O)Br 34a_100009817157_100011218427 [0,2,0,0,0,0|1,0,1]=4 10713 B13R1.3787 Cc1cccc(c1OCC(C)O)Br 7a_100009817157_100011218427 [0,2,0,0,0,0|1,0,1]=4 10714 B13R1.3787 Cc1cccc(c1OCC(C)O)C 34a_100000210341_100011218427 [0,2,0,0,0,0|1,0,1]=4 10715 B13R1.3787 Cc1cccc(c1OCC(C)O)C 7a_100000210341_100011218427 [0,2,0,0,0,0|1,0,1]=4 10716 B13R1.3787 Cc1cccc(c1OCC(C)O)Cl 34a_100000033731_100011218427 [0,2,0,0,0,0|1,0,1]=4 10717 B13R1.3787 Cc1cccc(c1OCC(C)O)Cl 7a_100000033731_100011218427 [0,2,0,0,0,0|1,0,1]=4 10718 B13R1.3787 Cc1cccc(c1OCC(C)O)F 34a_100011659162_100011218427 [0,2,0,0,0,0|1,0,1]=4 10719 B13R1.3787 Cc1cccc(c1OCC(C)O)F 7a_100011659162_100011218427 [0,2,0,0,0,0|1,0,1]=4 10720 B13R1.3787 Cc1cccc(c1OCC(C)O)N 34a_100000756359_100011218427 [0,2,0,0,0,0|1,0,1]=4 10721 B13R1.3787 Cc1cccc(c1OCC(C)O)N 7a_100000756359_100011218427 [0,2,0,0,0,0|1,0,1]=4 10722 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)Br 34a_100009817157_100009817552 [0,2,0,0,0,0|1,0,1]=4 10723 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)Br 7a_100009817157_100009817552 [0,2,0,0,0,0|1,0,1]=4 10724 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)C 34a_100000210341_100009817552 [0,2,0,0,0,0|1,0,1]=4 10725 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)C 7a_100000210341_100009817552 [0,2,0,0,0,0|1,0,1]=4 10726 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)Cl 34a_100000033731_100009817552 [0,2,0,0,0,0|1,0,1]=4 10727 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)Cl 7a_100000033731_100009817552 [0,2,0,0,0,0|1,0,1]=4 10728 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)F 34a_100011659162_100009817552 [0,2,0,0,0,0|1,0,1]=4 10729 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)F 7a_100011659162_100009817552 [0,2,0,0,0,0|1,0,1]=4 10730 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)N 34a_100000756359_100009817552 [0,2,0,0,0,0|1,0,1]=4 10731 B13R1.3787 Cc1cccc(c1OC[C@@H](C)O)N 7a_100000756359_100009817552 [0,2,0,0,0,0|1,0,1]=4 10732 B13R1.3787 Cc1cccc(c1OC[N+](=O)[O-])Br 34a_100009817157_100000761209 [0,2,0,0,0,0|1,0,1]=4 10733 B13R1.3787 Cc1cccc(c1OC[N+](=O)[O-])C 34a_100000210341_100000761209 [0,2,0,0,0,0|1,0,1]=4 10734 B13R1.3787 Cc1cccc(c1OC[N+](=O)[O-])Cl 34a_100000033731_100000761209 [0,2,0,0,0,0|1,0,1]=4 10735 B13R1.3787 Cc1cccc(c1OC[N+](=O)[O-])F 34a_100011659162_100000761209 [0,2,0,0,0,0|1,0,1]=4 10736 B13R1.3787 Cc1cccc(c1OC[N+](=O)[O-])N 34a_100000756359_100000761209 [0,2,0,0,0,0|1,0,1]=4 10737 B13R1.3787 Cc1cccc(c1SCC(=O)N)Br 62a_100000747473_100010141302 [0,2,0,0,0,0|1,1,0]=4 10738 B13R1.3787 Cc1cccc(c1SCC(=O)N)Br 62a_100010141302_100000747473 [0,2,0,0,0,0|1,1,0]=4 10739 B13R1.3787 Cc1cccc(c1SCC(=O)N)C 62a_100000033847_100000747473 [0,2,0,0,0,0|1,1,0]=4 10740 B13R1.3787 Cc1cccc(c1SCC(=O)N)C 62a_100000747473_100000033847 [0,2,0,0,0,0|1,1,0]=4 10741 B13R1.3787 Cc1cccc(c1SCC(=O)N)Cl 62a_100000043165_100000747473 [0,2,0,0,0,0|1,1,0]=4 10742 B13R1.3787 Cc1cccc(c1SCC(=O)N)Cl 62a_100000747473_100000043165 [0,2,0,0,0,0|1,1,0]=4 10743 B13R1.3787 Cc1cccc(c1SCC(=O)N)F 62a_100000747473_100011218421 [0,2,0,0,0,0|1,1,0]=4 10744 B13R1.3787 Cc1cccc(c1SCC(=O)N)F 62a_100011218421_100000747473 [0,2,0,0,0,0|1,1,0]=4 10745 B13R1.3787 Cc1cccc(c1SCC(=O)N)N 62a_100000684715_100000747473 [0,2,0,0,0,0|1,1,0]=4 10746 B13R1.3787 Cc1cccc(c1SCC(=O)N)N 62a_100000747473_100000684715 [0,2,0,0,0,0|1,1,0]=4 10747 B13R1.3787 Cc1cccc(c1SCC(=O)N)O 62a_100000686692_100000747473 [0,2,0,0,0,0|1,1,0]=4 10748 B13R1.3787 Cc1cccc(c1SCC(=O)N)O 62a_100000747473_100000686692 [0,2,0,0,0,0|1,1,0]=4 10749 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])Br 62a_100010141302_100020667443 [0,2,0,0,0,0|0,1,1]=4 10750 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])Br 62a_100020667443_100010141302 [0,2,0,0,0,0|0,1,1]=4 10751 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])C 62a_100000033847_100020667443 [0,2,0,0,0,0|0,1,1]=4 10752 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])C 62a_100020667443_100000033847 [0,2,0,0,0,0|0,1,1]=4 10753 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])Cl 62a_100000043165_100020667443 [0,2,0,0,0,0|0,1,1]=4 10754 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])Cl 62a_100020667443_100000043165 [0,2,0,0,0,0|0,1,1]=4 10755 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])F 62a_100011218421_100020667443 [0,2,0,0,0,0|0,1,1]=4 10756 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])F 62a_100020667443_100011218421 [0,2,0,0,0,0|0,1,1]=4 10757 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])N 62a_100000684715_100020667443 [0,2,0,0,0,0|0,1,1]=4 10758 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])N 62a_100020667443_100000684715 [0,2,0,0,0,0|0,1,1]=4 10759 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])O 62a_100000686692_100020667443 [0,2,0,0,0,0|0,1,1]=4 10760 B13R1.3787 Cc1cccc(c1SCC(=O)[O-])O 62a_100020667443_100000686692 [0,2,0,0,0,0|0,1,1]=4 10761 B13R1.3787 Cc1ccnc(c1OCC(=O)N)C 34a_100011934651_100000187820 [0,2,0,0,0,0|2,0,0]=4 10762 B13R1.3787 Cc1ccnc(c1OCC(=O)N)C 7a_100011934651_100000187820 [0,2,0,0,0,0|2,0,0]=4 10763 B13R1.3787 Cc1ccnc(c1OCC(=O)N)Cl 34a_100000696282_100000187820 [0,2,0,0,0,0|2,0,0]=4 10764 B13R1.3787 Cc1ccnc(c1OCC(=O)N)Cl 7a_100000696282_100000187820 [0,2,0,0,0,0|2,0,0]=4 10765 B13R1.3787 Cc1ccnc(c1OCC(=O)[O-])C 34a_100011934651_100020667443 [0,2,0,0,0,0|1,0,1]=4 10766 B13R1.3787 Cc1ccnc(c1OCC(=O)[O-])Cl 34a_100000696282_100020667443 [0,2,0,0,0,0|1,0,1]=4 10767 B13R1.3787 Cc1occc(=O)c1OCC(=O)N 34a_100000031901_100000187820 [0,2,0,0,0,0|2,0,0]=4 10768 B13R1.3787 Cc1occc(=O)c1OCC(=O)[O-] 34a_100000031901_100020667443 [0,2,0,0,0,0|1,0,1]=4 10769 B13R1.3787 NC(=O)CNc1c(cccc1Br)Br 34a_100000690995_100000187820 [0,2,0,0,0,0|2,0,0]=4 10770 B13R1.3787 NC(=O)CNc1c(cccc1Br)Cl 34a_100102946385_100000187820 [0,2,0,0,0,0|2,0,0]=4 10771 B13R1.3787 NC(=O)CNc1c(cccc1Br)F 34a_100000684712_100000187820 [0,2,0,0,0,0|2,0,0]=4 10772 B13R1.3787 NC(=O)CNc1c(cccc1Br)O 34a_100011934926_100000187820 [0,2,0,0,0,0|2,0,0]=4 10773 B13R1.3787 NC(=O)CNc1c(cccc1Cl)Cl 34a_100000210028_100000187820 [0,2,0,0,0,0|2,0,0]=4 10774 B13R1.3787 NC(=O)CNc1c(cccc1Cl)F 34a_100000760031_100000187820 [0,2,0,0,0,0|2,0,0]=4 10775 B13R1.3787 NC(=O)CNc1c(cccc1Cl)O 34a_100012022510_100000187820 [0,2,0,0,0,0|2,0,0]=4 10776 B13R1.3787 NC(=O)CNc1c(cccc1F)F 2230a_100000210704_100000747473 [0,2,0,0,0,0|2,0,0]=4 10777 B13R1.3787 NC(=O)CNc1c(cccc1F)F 34a_100000210704_100000187820 [0,2,0,0,0,0|2,0,0]=4 10778 B13R1.3787 NC(=O)CNc1c(cccc1F)O 34a_100020591140_100000187820 [0,2,0,0,0,0|2,0,0]=4 10779 B13R1.3787 NC(=O)CNc1c(cccc1I)F 34a_100000042321_100000187820 [0,2,0,0,0,0|2,0,0]=4 10780 B13R1.3787 NC(=O)COc1c(cccc1Br)Br 34a_100000736428_100000187820 [0,2,0,0,0,0|1,0,0]=3 10781 B13R1.3787 NC(=O)COc1c(cccc1Br)Br 7a_100000736428_100000187820 [0,2,0,0,0,0|1,0,0]=3 10782 B13R1.3787 NC(=O)COc1c(cccc1Br)Cl 34a_100010214474_100000187820 [0,2,0,0,0,0|1,0,0]=3 10783 B13R1.3787 NC(=O)COc1c(cccc1Br)Cl 7a_100010214474_100000187820 [0,2,0,0,0,0|1,0,0]=3 10784 B13R1.3787 NC(=O)COc1c(cccc1Br)F 34a_100009813666_100000187820 [0,2,0,0,0,0|1,0,0]=3 10785 B13R1.3787 NC(=O)COc1c(cccc1Br)F 7a_100009813666_100000187820 [0,2,0,0,0,0|1,0,0]=3 10786 B13R1.3787 NC(=O)COc1c(cccc1Br)N 34a_100011934915_100000187820 [0,2,0,0,0,0|1,0,0]=3 10787 B13R1.3787 NC(=O)COc1c(cccc1Cl)Cl 34a_100000211709_100000187820 [0,2,0,0,0,0|1,0,0]=3 10788 B13R1.3787 NC(=O)COc1c(cccc1Cl)Cl 7a_100000211709_100000187820 [0,2,0,0,0,0|1,0,0]=3 10789 B13R1.3787 NC(=O)COc1c(cccc1Cl)F 34a_100000694953_100000187820 [0,2,0,0,0,0|1,0,0]=3 10790 B13R1.3787 NC(=O)COc1c(cccc1Cl)F 7a_100000694953_100000187820 [0,2,0,0,0,0|1,0,0]=3 10791 B13R1.3787 NC(=O)COc1c(cccc1Cl)N 34a_100000754742_100000187820 [0,2,0,0,0,0|1,0,0]=3 10792 B13R1.3787 NC(=O)COc1c(cccc1F)F 34a_100000230165_100000187820 [0,2,0,0,0,0|1,0,0]=3 10793 B13R1.3787 NC(=O)COc1c(cccc1F)F 7a_100000230165_100000187820 [0,2,0,0,0,0|1,0,0]=3 10794 B13R1.3787 NC(=O)COc1c(cccc1F)N 34a_100011934987_100000187820 [0,2,0,0,0,0|1,0,0]=3 10795 B13R1.3787 NC(=O)COc1c(cccc1I)Br 34a_100010084509_100000187820 [0,2,0,0,0,0|1,0,0]=3 10796 B13R1.3787 NC(=O)COc1c(cccc1I)Br 7a_100010084509_100000187820 [0,2,0,0,0,0|1,0,0]=3 10797 B13R1.3787 NC(=O)COc1c(cccc1I)Cl 34a_100010202889_100000187820 [0,2,0,0,0,0|1,0,0]=3 10798 B13R1.3787 NC(=O)COc1c(cccc1I)Cl 7a_100010202889_100000187820 [0,2,0,0,0,0|1,0,0]=3 10799 B13R1.3787 NC(=O)COc1c(cccc1I)F 34a_100010186298_100000187820 [0,2,0,0,0,0|1,0,0]=3 10800 B13R1.3787 NC(=O)COc1c(cccc1I)F 7a_100010186298_100000187820 [0,2,0,0,0,0|1,0,0]=3 10801 B13R1.3787 NC(=O)COc1c(cccc1I)N 34a_100010084371_100000187820 [0,2,0,0,0,0|1,0,0]=3 10802 B13R1.3787 NC(=O)COc1c(cccc1N)N 34a_200016994477_100000187820 [0,2,0,0,0,0|1,0,0]=3 10803 B13R1.3787 NC(=O)COc1c(ccnc1Cl)Cl 34a_100000118450_100000187820 [0,2,0,0,0,0|2,0,0]=4 10804 B13R1.3787 NC(=O)COc1c(ccnc1Cl)Cl 7a_100000118450_100000187820 [0,2,0,0,0,0|2,0,0]=4 10805 B13R1.3787 NC(=O)COc1c(ccnc1Cl)F 34a_100009867227_100000187820 [0,2,0,0,0,0|2,0,0]=4 10806 B13R1.3787 NC(=O)COc1c(ccnc1Cl)F 7a_100009867227_100000187820 [0,2,0,0,0,0|2,0,0]=4 10807 B13R1.3787 NC(=O)COc1c(ccnc1Cl)I 34a_100010067911_100000187820 [0,2,0,0,0,0|2,0,0]=4 10808 B13R1.3787 NC(=O)COc1c(ccnc1Cl)I 7a_100010067911_100000187820 [0,2,0,0,0,0|2,0,0]=4 10809 B13R1.3787 NC(=O)COc1c(ccnc1Cl)N 34a_100009844647_100000187820 [0,2,0,0,0,0|2,0,0]=4 10810 B13R1.3787 NC(=O)COc1c(ccnc1Cl)N 7a_100009844647_100000187820 [0,2,0,0,0,0|2,0,0]=4 10811 B13R1.3787 NC(=O)CSc1c(cccc1Br)Br 62a_100000747473_100009994525 [0,2,0,0,0,0|1,1,0]=4 10812 B13R1.3787 NC(=O)CSc1c(cccc1Br)Br 62a_100009994525_100000747473 [0,2,0,0,0,0|1,1,0]=4 10813 B13R1.3787 NC(=O)CSc1c(cccc1Br)Cl 62a_100000747473_100010214488 [0,2,0,0,0,0|1,1,0]=4 10814 B13R1.3787 NC(=O)CSc1c(cccc1Br)Cl 62a_100010214488_100000747473 [0,2,0,0,0,0|1,1,0]=4 10815 B13R1.3787 NC(=O)CSc1c(cccc1Br)F 62a_100000747473_100011219512 [0,2,0,0,0,0|1,1,0]=4 10816 B13R1.3787 NC(=O)CSc1c(cccc1Br)F 62a_100011219512_100000747473 [0,2,0,0,0,0|1,1,0]=4 10817 B13R1.3787 NC(=O)CSc1c(cccc1Br)N 62a_100000747473_100020590159 [0,2,0,0,0,0|1,1,0]=4 10818 B13R1.3787 NC(=O)CSc1c(cccc1Br)N 62a_100020590159_100000747473 [0,2,0,0,0,0|1,1,0]=4 10819 B13R1.3787 NC(=O)CSc1c(cccc1Br)O 62a_100000747473_100010187912 [0,2,0,0,0,0|1,1,0]=4 10820 B13R1.3787 NC(=O)CSc1c(cccc1Br)O 62a_100010187912_100000747473 [0,2,0,0,0,0|1,1,0]=4 10821 B13R1.3787 NC(=O)CSc1c(cccc1Cl)Cl 62a_100000034237_100000747473 [0,2,0,0,0,0|1,1,0]=4 10822 B13R1.3787 NC(=O)CSc1c(cccc1Cl)Cl 62a_100000747473_100000034237 [0,2,0,0,0,0|1,1,0]=4 10823 B13R1.3787 NC(=O)CSc1c(cccc1Cl)F 62a_100000050007_100000747473 [0,2,0,0,0,0|1,1,0]=4 10824 B13R1.3787 NC(=O)CSc1c(cccc1Cl)F 62a_100000747473_100000050007 [0,2,0,0,0,0|1,1,0]=4 10825 B13R1.3787 NC(=O)CSc1c(cccc1Cl)N 62a_100000049713_100000747473 [0,2,0,0,0,0|1,1,0]=4 10826 B13R1.3787 NC(=O)CSc1c(cccc1Cl)N 62a_100000747473_100000049713 [0,2,0,0,0,0|1,1,0]=4 10827 B13R1.3787 NC(=O)CSc1c(cccc1Cl)O 62a_100000747473_100000050174 [0,2,0,0,0,0|1,1,0]=4 10828 B13R1.3787 NC(=O)CSc1c(cccc1F)F 62a_100000693133_100000747473 [0,2,0,0,0,0|1,1,0]=4 10829 B13R1.3787 NC(=O)CSc1c(cccc1F)F 62a_100000747473_100000693133 [0,2,0,0,0,0|1,1,0]=4 10830 B13R1.3787 NC(=O)CSc1c(cccc1F)N 62a_100000690935_100000747473 [0,2,0,0,0,0|1,1,0]=4 10831 B13R1.3787 NC(=O)CSc1c(cccc1F)N 62a_100000747473_100000690935 [0,2,0,0,0,0|1,1,0]=4 10832 B13R1.3787 NC(=O)CSc1c(cccc1F)O 62a_100000747473_100009820682 [0,2,0,0,0,0|1,1,0]=4 10833 B13R1.3787 NC(=O)CSc1c(cccc1F)O 62a_100009820682_100000747473 [0,2,0,0,0,0|1,1,0]=4 10834 B13R1.3787 NC(=O)CSc1c(cccc1O)N 62a_100000747473_100012183704 [0,2,0,0,0,0|1,1,0]=4 10835 B13R1.3787 NC(=O)CSc1c(cccc1O)N 62a_100012183704_100000747473 [0,2,0,0,0,0|1,1,0]=4 10836 B13R1.3787 NC(=O)CSc1c(cccc1O)O 62a_100000747473_100010205330 [0,2,0,0,0,0|1,1,0]=4 10837 B13R1.3787 Nc1cccc(c1OCC(=O)[O-])Br 34a_100011934915_100020667443 [0,2,0,0,0,0|0,0,1]=3 10838 B13R1.3787 Nc1cccc(c1OCC(=O)[O-])Cl 34a_100000754742_100020667443 [0,2,0,0,0,0|0,0,1]=3 10839 B13R1.3787 Nc1cccc(c1OCC(=O)[O-])F 34a_100011934987_100020667443 [0,2,0,0,0,0|0,0,1]=3 10840 B13R1.3787 Nc1cccc(c1OCC(=O)[O-])I 34a_100010084371_100020667443 [0,2,0,0,0,0|0,0,1]=3 10841 B13R1.3787 Nc1cccc(c1OCC(=O)[O-])N 34a_200016994477_100020667443 [0,2,0,0,0,0|0,0,1]=3 10842 B13R1.3787 Nc1cccc(c1OC[N+](=O)[O-])Br 34a_100011934915_100000761209 [0,2,0,0,0,0|1,0,1]=4 10843 B13R1.3787 Nc1cccc(c1OC[N+](=O)[O-])Cl 34a_100000754742_100000761209 [0,2,0,0,0,0|1,0,1]=4 10844 B13R1.3787 Nc1cccc(c1OC[N+](=O)[O-])F 34a_100011934987_100000761209 [0,2,0,0,0,0|1,0,1]=4 10845 B13R1.3787 Nc1cccc(c1OC[N+](=O)[O-])I 34a_100010084371_100000761209 [0,2,0,0,0,0|1,0,1]=4 10846 B13R1.3787 Nc1cccc(c1OC[N+](=O)[O-])N 34a_200016994477_100000761209 [0,2,0,0,0,0|1,0,1]=4 10847 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])Br 62a_100020590159_100020667443 [0,2,0,0,0,0|0,1,1]=4 10848 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])Br 62a_100020667443_100020590159 [0,2,0,0,0,0|0,1,1]=4 10849 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])Cl 62a_100000049713_100020667443 [0,2,0,0,0,0|0,1,1]=4 10850 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])Cl 62a_100020667443_100000049713 [0,2,0,0,0,0|0,1,1]=4 10851 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])F 62a_100000690935_100020667443 [0,2,0,0,0,0|0,1,1]=4 10852 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])F 62a_100020667443_100000690935 [0,2,0,0,0,0|0,1,1]=4 10853 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])O 62a_100012183704_100020667443 [0,2,0,0,0,0|0,1,1]=4 10854 B13R1.3787 Nc1cccc(c1SCC(=O)[O-])O 62a_100020667443_100012183704 [0,2,0,0,0,0|0,1,1]=4 10855 B13R1.3787 Nc1ccnc(c1OCC(=O)[O-])Cl 34a_100009844647_100020667443 [0,2,0,0,0,0|1,0,1]=4 10856 B13R1.3787 O=C([O-])CNc1c(cccc1Br)Br 34a_100000690995_100020667443 [0,2,0,0,0,0|1,0,1]=4 10857 B13R1.3787 O=C([O-])CNc1c(cccc1Br)Cl 34a_100102946385_100020667443 [0,2,0,0,0,0|1,0,1]=4 10858 B13R1.3787 O=C([O-])CNc1c(cccc1Br)F 34a_100000684712_100020667443 [0,2,0,0,0,0|1,0,1]=4 10859 B13R1.3787 O=C([O-])CNc1c(cccc1Br)O 34a_100011934926_100020667443 [0,2,0,0,0,0|1,0,1]=4 10860 B13R1.3787 O=C([O-])CNc1c(cccc1Cl)Cl 34a_100000210028_100020667443 [0,2,0,0,0,0|1,0,1]=4 10861 B13R1.3787 O=C([O-])CNc1c(cccc1Cl)F 34a_100000760031_100020667443 [0,2,0,0,0,0|1,0,1]=4 10862 B13R1.3787 O=C([O-])CNc1c(cccc1Cl)O 34a_100012022510_100020667443 [0,2,0,0,0,0|1,0,1]=4 10863 B13R1.3787 O=C([O-])CNc1c(cccc1F)F 34a_100000210704_100020667443 [0,2,0,0,0,0|1,0,1]=4 10864 B13R1.3787 O=C([O-])CNc1c(cccc1F)O 34a_100020591140_100020667443 [0,2,0,0,0,0|1,0,1]=4 10865 B13R1.3787 O=C([O-])CNc1c(cccc1I)F 34a_100000042321_100020667443 [0,2,0,0,0,0|1,0,1]=4 10866 B13R1.3787 O=C([O-])COc1c(cccc1Br)Br 34a_100000736428_100020667443 [0,2,0,0,0,0|0,0,1]=3 10867 B13R1.3787 O=C([O-])COc1c(cccc1Br)Cl 34a_100010214474_100020667443 [0,2,0,0,0,0|0,0,1]=3 10868 B13R1.3787 O=C([O-])COc1c(cccc1Br)F 34a_100009813666_100020667443 [0,2,0,0,0,0|0,0,1]=3 10869 B13R1.3787 O=C([O-])COc1c(cccc1Cl)Cl 34a_100000211709_100020667443 [0,2,0,0,0,0|0,0,1]=3 10870 B13R1.3787 O=C([O-])COc1c(cccc1Cl)F 34a_100000694953_100020667443 [0,2,0,0,0,0|0,0,1]=3 10871 B13R1.3787 O=C([O-])COc1c(cccc1F)F 34a_100000230165_100020667443 [0,2,0,0,0,0|0,0,1]=3 10872 B13R1.3787 O=C([O-])COc1c(cccc1I)Br 34a_100010084509_100020667443 [0,2,0,0,0,0|0,0,1]=3 10873 B13R1.3787 O=C([O-])COc1c(cccc1I)Cl 34a_100010202889_100020667443 [0,2,0,0,0,0|0,0,1]=3 10874 B13R1.3787 O=C([O-])COc1c(cccc1I)F 34a_100010186298_100020667443 [0,2,0,0,0,0|0,0,1]=3 10875 B13R1.3787 O=C([O-])COc1c(ccnc1Cl)Cl 34a_100000118450_100020667443 [0,2,0,0,0,0|1,0,1]=4 10876 B13R1.3787 O=C([O-])COc1c(ccnc1Cl)F 34a_100009867227_100020667443 [0,2,0,0,0,0|1,0,1]=4 10877 B13R1.3787 O=C([O-])COc1c(ccnc1Cl)I 34a_100010067911_100020667443 [0,2,0,0,0,0|1,0,1]=4 10878 B13R1.3787 O=C([O-])CSc1c(cccc1Br)Br 62a_100009994525_100020667443 [0,2,0,0,0,0|0,1,1]=4 10879 B13R1.3787 O=C([O-])CSc1c(cccc1Br)Br 62a_100020667443_100009994525 [0,2,0,0,0,0|0,1,1]=4 10880 B13R1.3787 O=C([O-])CSc1c(cccc1Br)Cl 62a_100010214488_100020667443 [0,2,0,0,0,0|0,1,1]=4 10881 B13R1.3787 O=C([O-])CSc1c(cccc1Br)Cl 62a_100020667443_100010214488 [0,2,0,0,0,0|0,1,1]=4 10882 B13R1.3787 O=C([O-])CSc1c(cccc1Br)F 62a_100011219512_100020667443 [0,2,0,0,0,0|0,1,1]=4 10883 B13R1.3787 O=C([O-])CSc1c(cccc1Br)F 62a_100020667443_100011219512 [0,2,0,0,0,0|0,1,1]=4 10884 B13R1.3787 O=C([O-])CSc1c(cccc1Br)O 62a_100010187912_100020667443 [0,2,0,0,0,0|0,1,1]=4 10885 B13R1.3787 O=C([O-])CSc1c(cccc1Br)O 62a_100020667443_100010187912 [0,2,0,0,0,0|0,1,1]=4 10886 B13R1.3787 O=C([O-])CSc1c(cccc1Cl)Cl 62a_100000034237_100020667443 [0,2,0,0,0,0|0,1,1]=4 10887 B13R1.3787 O=C([O-])CSc1c(cccc1Cl)Cl 62a_100020667443_100000034237 [0,2,0,0,0,0|0,1,1]=4 10888 B13R1.3787 O=C([O-])CSc1c(cccc1Cl)F 62a_100000050007_100020667443 [0,2,0,0,0,0|0,1,1]=4 10889 B13R1.3787 O=C([O-])CSc1c(cccc1Cl)F 62a_100020667443_100000050007 [0,2,0,0,0,0|0,1,1]=4 10890 B13R1.3787 O=C([O-])CSc1c(cccc1Cl)O 62a_100020667443_100000050174 [0,2,0,0,0,0|0,1,1]=4 10891 B13R1.3787 O=C([O-])CSc1c(cccc1F)F 62a_100000693133_100020667443 [0,2,0,0,0,0|0,1,1]=4 10892 B13R1.3787 O=C([O-])CSc1c(cccc1F)F 62a_100020667443_100000693133 [0,2,0,0,0,0|0,1,1]=4 10893 B13R1.3787 O=C([O-])CSc1c(cccc1F)O 62a_100009820682_100020667443 [0,2,0,0,0,0|0,1,1]=4 10894 B13R1.3787 O=C([O-])CSc1c(cccc1F)O 62a_100020667443_100009820682 [0,2,0,0,0,0|0,1,1]=4 10895 B13R1.3787 O=C([O-])CSc1c(cccc1O)O 62a_100020667443_100010205330 [0,2,0,0,0,0|0,1,1]=4 10896 B13R1.3787 O=[N+]([O-])COc1c(cccc1Br)Br 34a_100000736428_100000761209 [0,2,0,0,0,0|1,0,1]=4 10897 B13R1.3787 O=[N+]([O-])COc1c(cccc1Br)Cl 34a_100010214474_100000761209 [0,2,0,0,0,0|1,0,1]=4 10898 B13R1.3787 O=[N+]([O-])COc1c(cccc1Br)F 34a_100009813666_100000761209 [0,2,0,0,0,0|1,0,1]=4 10899 B13R1.3787 O=[N+]([O-])COc1c(cccc1Cl)Cl 34a_100000211709_100000761209 [0,2,0,0,0,0|1,0,1]=4 10900 B13R1.3787 O=[N+]([O-])COc1c(cccc1Cl)F 34a_100000694953_100000761209 [0,2,0,0,0,0|1,0,1]=4 10901 B13R1.3787 O=[N+]([O-])COc1c(cccc1F)F 34a_100000230165_100000761209 [0,2,0,0,0,0|1,0,1]=4 10902 B13R1.3787 O=[N+]([O-])COc1c(cccc1I)Br 34a_100010084509_100000761209 [0,2,0,0,0,0|1,0,1]=4 10903 B13R1.3787 O=[N+]([O-])COc1c(cccc1I)Cl 34a_100010202889_100000761209 [0,2,0,0,0,0|1,0,1]=4 10904 B13R1.3787 O=[N+]([O-])COc1c(cccc1I)F 34a_100010186298_100000761209 [0,2,0,0,0,0|1,0,1]=4 10905 B13R1.3787 [13CH3]C(=O)CCc1c(cccc1Cl)Cl 1458a_100011225048_200025704644 [0,2,0,0,0,0|2,0,0]=4 10906 B13R1.3787 [13CH3]C(=O)CCc1c(cccc1Cl)F 1458a_100011225049_200025704644 [0,2,0,0,0,0|2,0,0]=4 10907 B13R1.3787 [13CH3]C(=O)CCc1c(cccc1F)F 1458a_100000738981_200025704644 [0,2,0,0,0,0|2,0,0]=4 10908 B13R1.3787 [13CH3]C(=O)COc1c(cccc1Cl)Cl 1458a_100000184137_200025704644 [0,2,0,0,0,0|1,0,0]=3 10909 B13R1.3787 [13CH3]C(=O)CSc1c(cccc1Cl)Cl 1458a_100000184567_200025704644 [0,2,0,0,0,0|1,1,0]=4 10910 B13R1.643 C#Cc1cccc(c1)NCC(=O)N 2230a_100000735509_100000747473 [0,2,0,0,0,0|2,0,0]=4 10911 B13R1.643 C#Cc1cccc(c1)NCC(=O)N 34a_100000735509_100000187820 [0,2,0,0,0,0|2,0,0]=4 10912 B13R1.643 C#Cc1cccc(c1)NCC(=O)[O-] 34a_100000735509_100020667443 [0,2,0,0,0,0|1,0,1]=4 10913 B13R1.643 C#Cc1cccc(c1)OCC(=C)C 34a_100011216014_100000748629 [0,2,0,0,0,0|2,0,0]=4 10914 B13R1.643 C#Cc1cccc(c1)OCC(=C)C 7a_100011216014_100000748629 [0,2,0,0,0,0|2,0,0]=4 10915 B13R1.643 C#Cc1cccc(c1)OCC(=C)F 34a_100011216014_100009893438 [0,2,0,0,0,0|2,0,0]=4 10916 B13R1.643 C#Cc1cccc(c1)OCC(=C)F 7a_100011216014_100000042424 [0,2,0,0,0,0|2,0,0]=4 10917 B13R1.643 C#Cc1cccc(c1)OCC(=O)N 34a_100011216014_100000187820 [0,2,0,0,0,0|1,0,0]=3 10918 B13R1.643 C#Cc1cccc(c1)OCC(=O)N 7a_100011216014_100000187820 [0,2,0,0,0,0|1,0,0]=3 10919 B13R1.643 C#Cc1cccc(c1)OCC(=O)[O-] 34a_100011216014_100020667443 [0,2,0,0,0,0|0,0,1]=3 10920 B13R1.643 C#Cc1cccc(c1)OCC(C)O 34a_100011216014_100011218427 [0,2,0,0,0,0|1,0,1]=4 10921 B13R1.643 C#Cc1cccc(c1)OCC(C)O 7a_100011216014_100011218427 [0,2,0,0,0,0|1,0,1]=4 10922 B13R1.643 C#Cc1cccc(c1)OC[C@@H](C)O 34a_100011216014_100009817552 [0,2,0,0,0,0|1,0,1]=4 10923 B13R1.643 C#Cc1cccc(c1)OC[C@@H](C)O 7a_100011216014_100009817552 [0,2,0,0,0,0|1,0,1]=4 10924 B13R1.643 C#Cc1cccc(c1)OC[N+](=O)[O-] 34a_100011216014_100000761209 [0,2,0,0,0,0|1,0,1]=4 10925 B13R1.643 C=C(C)COc1cccc(c1)C#N 34a_100000184713_100000748629 [0,2,0,0,0,0|2,0,0]=4 10926 B13R1.643 C=C(C)COc1cccc(c1)C#N 7a_100000184713_100000748629 [0,2,0,0,0,0|2,0,0]=4 10927 B13R1.643 C=C(C)COc1cccc(c1)CBr 34a_100011660834_100000748629 [0,2,0,0,0,0|2,0,0]=4 10928 B13R1.643 C=C(C)COc1cccc(c1)CBr 7a_100011660834_100000748629 [0,2,0,0,0,0|2,0,0]=4 10929 B13R1.643 C=C(C)COc1cccc(c1)CC 34a_100000211550_100000748629 [0,2,0,0,0,0|2,0,0]=4 10930 B13R1.643 C=C(C)COc1cccc(c1)CC 7a_100000211550_100000748629 [0,2,0,0,0,0|2,0,0]=4 10931 B13R1.643 C=C(C)COc1cccc(c1)CCl 34a_100000084143_100000748629 [0,2,0,0,0,0|2,0,0]=4 10932 B13R1.643 C=C(C)COc1cccc(c1)CCl 7a_100000084143_100000748629 [0,2,0,0,0,0|2,0,0]=4 10933 B13R1.643 C=C(C)COc1cccc(c1)CN 34a_100000743036_100000748629 [0,2,0,0,0,0|2,0,0]=4 10934 B13R1.643 C=C(C)COc1cccc(c1)CO 34a_100011214949_100000748629 [0,2,0,0,0,0|2,0,0]=4 10935 B13R1.643 C=C(C)COc1cccc(c1)CO 7a_100011214949_100000748629 [0,2,0,0,0,0|2,0,0]=4 10936 B13R1.643 C=C(C)COc1cccc(c1)NC 2230a_100000243820_200000210301 [0,2,0,0,0,0|2,0,0]=4 10937 B13R1.643 C=C(C)COc1cccc(c1)NC 34a_100000243820_200000210301 [0,2,0,0,0,0|2,0,0]=4 10938 B13R1.643 C=C(C)COc1cccc(c1)NC 34a_100000756613_100000748629 [0,2,0,0,0,0|2,0,0]=4 10939 B13R1.643 C=C(C)COc1cccc(c1)NC 7a_100000243820_200000210301 [0,2,0,0,0,0|2,0,0]=4 10940 B13R1.643 C=C(C)COc1cccc(c1)NC 7a_100000756613_100000748629 [0,2,0,0,0,0|2,0,0]=4 10941 B13R1.643 C=C(C)COc1cccc(c1)N[13CH3] 2230a_100000243820_200025704644 [0,2,0,0,0,0|2,0,0]=4 10942 B13R1.643 C=C(C)COc1cccc(c1)N[13CH3] 34a_100000243820_200025704644 [0,2,0,0,0,0|2,0,0]=4 10943 B13R1.643 C=C(C)COc1cccc(c1)N[13CH3] 7a_100000243820_200025704644 [0,2,0,0,0,0|2,0,0]=4 10944 B13R1.643 C=C(C)COc1cccc(c1)OC 34a_100000211255_100000748629 [0,2,0,0,0,0|2,0,0]=4 10945 B13R1.643 C=C(C)COc1cccc(c1)OC 7a_100000211255_100000748629 [0,2,0,0,0,0|2,0,0]=4 10946 B13R1.643 C=C(C)COc1cccc(c1)SC 34a_100011265683_100000748629 [0,2,0,0,0,0|2,0,0]=4 10947 B13R1.643 C=C(C)COc1cccc(c1)SC 7a_100011265683_100000748629 [0,2,0,0,0,0|2,0,0]=4 10948 B13R1.643 C=C(F)COc1cccc(c1)C#N 34a_100000184713_100009893438 [0,2,0,0,0,0|2,0,0]=4 10949 B13R1.643 C=C(F)COc1cccc(c1)C#N 7a_100000184713_100000042424 [0,2,0,0,0,0|2,0,0]=4 10950 B13R1.643 C=C(F)COc1cccc(c1)CBr 34a_100011660834_100009893438 [0,2,0,0,0,0|2,0,0]=4 10951 B13R1.643 C=C(F)COc1cccc(c1)CBr 7a_100011660834_100000042424 [0,2,0,0,0,0|2,0,0]=4 10952 B13R1.643 C=C(F)COc1cccc(c1)CC 34a_100000211550_100009893438 [0,2,0,0,0,0|2,0,0]=4 10953 B13R1.643 C=C(F)COc1cccc(c1)CC 7a_100000211550_100000042424 [0,2,0,0,0,0|2,0,0]=4 10954 B13R1.643 C=C(F)COc1cccc(c1)CCl 34a_100000084143_100009893438 [0,2,0,0,0,0|2,0,0]=4 10955 B13R1.643 C=C(F)COc1cccc(c1)CCl 7a_100000084143_100000042424 [0,2,0,0,0,0|2,0,0]=4 10956 B13R1.643 C=C(F)COc1cccc(c1)CN 34a_100000743036_100009893438 [0,2,0,0,0,0|2,0,0]=4 10957 B13R1.643 C=C(F)COc1cccc(c1)CO 34a_100011214949_100009893438 [0,2,0,0,0,0|2,0,0]=4 10958 B13R1.643 C=C(F)COc1cccc(c1)CO 7a_100011214949_100000042424 [0,2,0,0,0,0|2,0,0]=4 10959 B13R1.643 C=C(F)COc1cccc(c1)NC 34a_100000756613_100009893438 [0,2,0,0,0,0|2,0,0]=4 10960 B13R1.643 C=C(F)COc1cccc(c1)NC 7a_100000756613_100000042424 [0,2,0,0,0,0|2,0,0]=4 10961 B13R1.643 C=C(F)COc1cccc(c1)OC 34a_100000211255_100009893438 [0,2,0,0,0,0|2,0,0]=4 10962 B13R1.643 C=C(F)COc1cccc(c1)OC 7a_100000211255_100000042424 [0,2,0,0,0,0|2,0,0]=4 10963 B13R1.643 C=C(F)COc1cccc(c1)SC 34a_100011265683_100009893438 [0,2,0,0,0,0|2,0,0]=4 10964 B13R1.643 C=C(F)COc1cccc(c1)SC 7a_100011265683_100000042424 [0,2,0,0,0,0|2,0,0]=4 10965 B13R1.643 C=Cc1cccc(c1)CCC(=O)C 271570a_100011290941_100011279149 [0,2,0,0,0,0|2,0,0]=4 10966 B13R1.643 C=Cc1cccc(c1)CCC(=O)N 271570a_100011290941_100000162029 [0,2,0,0,0,0|2,0,0]=4 10967 B13R1.643 C=Cc1cccc(c1)NCC(=O)N 34a_100011827668_100000187820 [0,2,0,0,0,0|2,0,0]=4 10968 B13R1.643 C=Cc1cccc(c1)NCC(=O)[O-] 34a_100011827668_100020667443 [0,2,0,0,0,0|1,0,1]=4 10969 B13R1.643 C=Cc1cccc(c1)OCC(=C)C 34a_100011309434_100000748629 [0,2,0,0,0,0|2,0,0]=4 10970 B13R1.643 C=Cc1cccc(c1)OCC(=C)C 7a_100011309434_100000748629 [0,2,0,0,0,0|2,0,0]=4 10971 B13R1.643 C=Cc1cccc(c1)OCC(=C)F 34a_100011309434_100009893438 [0,2,0,0,0,0|2,0,0]=4 10972 B13R1.643 C=Cc1cccc(c1)OCC(=C)F 7a_100011309434_100000042424 [0,2,0,0,0,0|2,0,0]=4 10973 B13R1.643 C=Cc1cccc(c1)OCC(=O)N 271570a_100011290941_200000150604 [0,2,0,0,0,0|1,0,0]=3 10974 B13R1.643 C=Cc1cccc(c1)OCC(=O)N 34a_100011309434_100000187820 [0,2,0,0,0,0|1,0,0]=3 10975 B13R1.643 C=Cc1cccc(c1)OCC(=O)N 7a_100011309434_100000187820 [0,2,0,0,0,0|1,0,0]=3 10976 B13R1.643 C=Cc1cccc(c1)OCC(=O)[O-] 34a_100011309434_100020667443 [0,2,0,0,0,0|0,0,1]=3 10977 B13R1.643 C=Cc1cccc(c1)OCC(C)O 34a_100011309434_100011218427 [0,2,0,0,0,0|1,0,1]=4 10978 B13R1.643 C=Cc1cccc(c1)OCC(C)O 7a_100011309434_100011218427 [0,2,0,0,0,0|1,0,1]=4 10979 B13R1.643 C=Cc1cccc(c1)OC[C@@H](C)O 34a_100011309434_100009817552 [0,2,0,0,0,0|1,0,1]=4 10980 B13R1.643 C=Cc1cccc(c1)OC[C@@H](C)O 7a_100011309434_100009817552 [0,2,0,0,0,0|1,0,1]=4 10981 B13R1.643 C=Cc1cccc(c1)OC[N+](=O)[O-] 34a_100011309434_100000761209 [0,2,0,0,0,0|1,0,1]=4 10982 B13R1.643 C=Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215241 [0,2,0,0,0,0|1,1,0]=4 10983 B13R1.643 C=Cc1cccc(c1)SCC(=O)N 62a_100011215241_100000747473 [0,2,0,0,0,0|1,1,0]=4 10984 B13R1.643 C=Cc1cccc(c1)SCC(=O)[O-] 62a_100011215241_100020667443 [0,2,0,0,0,0|0,1,1]=4 10985 B13R1.643 C=Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215241 [0,2,0,0,0,0|0,1,1]=4 10986 B13R1.643 CC(=O)CCc1cccc(c1)C#N 1458a_100011998624_200000210301 [0,2,0,0,0,0|2,0,0]=4 10987 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_100011279149_200025704644 [0,2,0,0,0,0|2,0,0]=4 10988 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_200025704644_100011279149 [0,2,0,0,0,0|2,0,0]=4 10989 B13R1.643 CC(=O)COc1cccc(c1)C#N 1458a_100000230692_200000210301 [0,2,0,0,0,0|1,0,0]=3 10990 B13R1.643 CC(O)COc1cccc(c1)C#N 34a_100000184713_100011218427 [0,2,0,0,0,0|1,0,1]=4 10991 B13R1.643 CC(O)COc1cccc(c1)C#N 7a_100000184713_100011218427 [0,2,0,0,0,0|1,0,1]=4 10992 B13R1.643 CC(O)COc1cccc(c1)CBr 34a_100011660834_100011218427 [0,2,0,0,0,0|1,0,1]=4 10993 B13R1.643 CC(O)COc1cccc(c1)CBr 7a_100011660834_100011218427 [0,2,0,0,0,0|1,0,1]=4 10994 B13R1.643 CC(O)COc1cccc(c1)CCl 34a_100000084143_100011218427 [0,2,0,0,0,0|1,0,1]=4 10995 B13R1.643 CC(O)COc1cccc(c1)CCl 7a_100000084143_100011218427 [0,2,0,0,0,0|1,0,1]=4 10996 B13R1.643 CC(O)COc1cccc(c1)CN 34a_100000743036_100011218427 [0,2,0,0,0,0|1,0,1]=4 10997 B13R1.643 CC(O)COc1cccc(c1)CO 34a_100011214949_100011218427 [0,2,0,0,0,0|1,0,1]=4 10998 B13R1.643 CC(O)COc1cccc(c1)CO 7a_100011214949_100011218427 [0,2,0,0,0,0|1,0,1]=4 10999 B13R1.643 CC[n+]1cccc(c1)OCC(=O)N 34a_100000731997_100000187820 [0,2,0,0,0,0|2,0,0]=4 11000 B13R1.643 CC[n+]1cccc(c1)OCC(=O)N 7a_100000731997_100000187820 [0,2,0,0,0,0|2,0,0]=4 11001 B13R1.643 CC[n+]1cccc(c1)OCC(=O)[O-] 34a_100000731997_100020667443 [0,2,0,0,0,0|1,0,1]=4 11002 B13R1.643 CCc1cccc(c1)NCC(=O)N 2230a_100000211250_100000747473 [0,2,0,0,0,0|2,0,0]=4 11003 B13R1.643 CCc1cccc(c1)NCC(=O)N 34a_100000211250_100000187820 [0,2,0,0,0,0|2,0,0]=4 11004 B13R1.643 CCc1cccc(c1)NCC(=O)N 7a_100000211250_100000187820 [0,2,0,0,0,0|2,0,0]=4 11005 B13R1.643 CCc1cccc(c1)NCC(=O)[O-] 34a_100000211250_100020667443 [0,2,0,0,0,0|1,0,1]=4 11006 B13R1.643 CCc1cccc(c1)OCC(=O)N 34a_100000211550_100000187820 [0,2,0,0,0,0|1,0,0]=3 11007 B13R1.643 CCc1cccc(c1)OCC(=O)N 7a_100000211550_100000187820 [0,2,0,0,0,0|1,0,0]=3 11008 B13R1.643 CCc1cccc(c1)OCC(=O)[O-] 34a_100000211550_100020667443 [0,2,0,0,0,0|0,0,1]=3 11009 B13R1.643 CCc1cccc(c1)OCC(C)O 34a_100000211550_100011218427 [0,2,0,0,0,0|1,0,1]=4 11010 B13R1.643 CCc1cccc(c1)OCC(C)O 7a_100000211550_100011218427 [0,2,0,0,0,0|1,0,1]=4 11011 B13R1.643 CCc1cccc(c1)OC[C@@H](C)O 34a_100000211550_100009817552 [0,2,0,0,0,0|1,0,1]=4 11012 B13R1.643 CCc1cccc(c1)OC[C@@H](C)O 7a_100000211550_100009817552 [0,2,0,0,0,0|1,0,1]=4 11013 B13R1.643 CCc1cccc(c1)OC[N+](=O)[O-] 34a_100000211550_100000761209 [0,2,0,0,0,0|1,0,1]=4 11014 B13R1.643 CCc1cccc(c1)SCC(=O)N 62a_100000747473_100011263222 [0,2,0,0,0,0|1,1,0]=4 11015 B13R1.643 CCc1cccc(c1)SCC(=O)N 62a_100011263222_100000747473 [0,2,0,0,0,0|1,1,0]=4 11016 B13R1.643 CCc1cccc(c1)SCC(=O)[O-] 62a_100011263222_100020667443 [0,2,0,0,0,0|0,1,1]=4 11017 B13R1.643 CCc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011263222 [0,2,0,0,0,0|0,1,1]=4 11018 B13R1.643 CCc1cncc(c1)OCC(=O)N 34a_200009861530_100000187820 [0,2,0,0,0,0|2,0,0]=4 11019 B13R1.643 CCc1cncc(c1)OCC(=O)N 7a_200009861530_100000187820 [0,2,0,0,0,0|2,0,0]=4 11020 B13R1.643 CCc1cncc(c1)OCC(=O)[O-] 34a_200009861530_100020667443 [0,2,0,0,0,0|1,0,1]=4 11021 B13R1.643 CNc1cccc(c1)OCC(=O)N 34a_100000756613_100000187820 [0,2,0,0,0,0|1,0,0]=3 11022 B13R1.643 CNc1cccc(c1)OCC(=O)N 7a_100000756613_100000187820 [0,2,0,0,0,0|1,0,0]=3 11023 B13R1.643 CNc1cccc(c1)OCC(=O)[O-] 34a_100000756613_100020667443 [0,2,0,0,0,0|0,0,1]=3 11024 B13R1.643 CNc1cccc(c1)OCC(C)O 34a_100000756613_100011218427 [0,2,0,0,0,0|1,0,1]=4 11025 B13R1.643 CNc1cccc(c1)OCC(C)O 7a_100000756613_100011218427 [0,2,0,0,0,0|1,0,1]=4 11026 B13R1.643 CNc1cccc(c1)OC[C@@H](C)O 34a_100000756613_100009817552 [0,2,0,0,0,0|1,0,1]=4 11027 B13R1.643 CNc1cccc(c1)OC[C@@H](C)O 7a_100000756613_100009817552 [0,2,0,0,0,0|1,0,1]=4 11028 B13R1.643 CNc1cccc(c1)OC[N+](=O)[O-] 34a_100000756613_100000761209 [0,2,0,0,0,0|1,0,1]=4 11029 B13R1.643 CNc1cccc(c1)SCC(=O)N 62a_100000219648_100000747473 [0,2,0,0,0,0|1,1,0]=4 11030 B13R1.643 CNc1cccc(c1)SCC(=O)N 62a_100000747473_100000219648 [0,2,0,0,0,0|1,1,0]=4 11031 B13R1.643 CNc1cccc(c1)SCC(=O)[O-] 62a_100000219648_100020667443 [0,2,0,0,0,0|0,1,1]=4 11032 B13R1.643 CNc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000219648 [0,2,0,0,0,0|0,1,1]=4 11033 B13R1.643 COc1cc(ccn1)OCC(=O)N 34a_100012181050_100000187820 [0,2,0,0,0,0|2,0,0]=4 11034 B13R1.643 COc1cc(ccn1)OCC(=O)[O-] 34a_100012181050_100020667443 [0,2,0,0,0,0|1,0,1]=4 11035 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000070787_100011713679 [0,2,0,0,0,0|2,0,0]=4 11036 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000234931_200000210301 [0,2,0,0,0,0|2,0,0]=4 11037 B13R1.643 COc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234931_200025704644 [0,2,0,0,0,0|2,0,0]=4 11038 B13R1.643 COc1cccc(c1)NCC(=O)N 34a_100000210024_100000187820 [0,2,0,0,0,0|2,0,0]=4 11039 B13R1.643 COc1cccc(c1)NCC(=O)[O-] 34a_100000210024_100020667443 [0,2,0,0,0,0|1,0,1]=4 11040 B13R1.643 COc1cccc(c1)OCC(=O)C 1458a_100000182123_200000210301 [0,2,0,0,0,0|1,0,0]=3 11041 B13R1.643 COc1cccc(c1)OCC(=O)N 34a_100000211255_100000187820 [0,2,0,0,0,0|1,0,0]=3 11042 B13R1.643 COc1cccc(c1)OCC(=O)N 7a_100000211255_100000187820 [0,2,0,0,0,0|1,0,0]=3 11043 B13R1.643 COc1cccc(c1)OCC(=O)[13CH3] 1458a_100000182123_200025704644 [0,2,0,0,0,0|1,0,0]=3 11044 B13R1.643 COc1cccc(c1)OCC(=O)[O-] 34a_100000211255_100020667443 [0,2,0,0,0,0|0,0,1]=3 11045 B13R1.643 COc1cccc(c1)OCC(C)O 34a_100000211255_100011218427 [0,2,0,0,0,0|1,0,1]=4 11046 B13R1.643 COc1cccc(c1)OCC(C)O 7a_100000211255_100011218427 [0,2,0,0,0,0|1,0,1]=4 11047 B13R1.643 COc1cccc(c1)OC[C@@H](C)O 34a_100000211255_100009817552 [0,2,0,0,0,0|1,0,1]=4 11048 B13R1.643 COc1cccc(c1)OC[C@@H](C)O 7a_100000211255_100009817552 [0,2,0,0,0,0|1,0,1]=4 11049 B13R1.643 COc1cccc(c1)OC[N+](=O)[O-] 34a_100000211255_100000761209 [0,2,0,0,0,0|1,0,1]=4 11050 B13R1.643 COc1cccc(c1)SCC(=O)C 1458a_100000741315_200000210301 [0,2,0,0,0,0|1,1,0]=4 11051 B13R1.643 COc1cccc(c1)SCC(=O)N 62a_100000747473_100000170001 [0,2,0,0,0,0|1,1,0]=4 11052 B13R1.643 COc1cccc(c1)SCC(=O)[13CH3] 1458a_100000741315_200025704644 [0,2,0,0,0,0|1,1,0]=4 11053 B13R1.643 COc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000170001 [0,2,0,0,0,0|0,1,1]=4 11054 B13R1.643 COc1cncc(c1)OCC(=O)N 34a_100000084572_100000187820 [0,2,0,0,0,0|2,0,0]=4 11055 B13R1.643 COc1cncc(c1)OCC(=O)N 7a_100000084572_100000187820 [0,2,0,0,0,0|2,0,0]=4 11056 B13R1.643 COc1cncc(c1)OCC(=O)[O-] 34a_100000084572_100020667443 [0,2,0,0,0,0|1,0,1]=4 11057 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_100011279149_200000210301 [0,2,0,0,0,0|2,0,0]=4 11058 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_200000210301_100011279149 [0,2,0,0,0,0|2,0,0]=4 11059 B13R1.643 CSc1cccc(c1)CCC(=O)N 62a_100000162029_200000210301 [0,2,0,0,0,0|2,0,0]=4 11060 B13R1.643 CSc1cccc(c1)CCC(=O)N 62a_200000210301_100000162029 [0,2,0,0,0,0|2,0,0]=4 11061 B13R1.643 CSc1cccc(c1)NCC(=O)N 2230a_100000210049_100000747473 [0,2,0,0,0,0|2,0,0]=4 11062 B13R1.643 CSc1cccc(c1)NCC(=O)N 34a_100000210049_100000187820 [0,2,0,0,0,0|2,0,0]=4 11063 B13R1.643 CSc1cccc(c1)NCC(=O)[O-] 34a_100000210049_100020667443 [0,2,0,0,0,0|1,0,1]=4 11064 B13R1.643 CSc1cccc(c1)OCC(=O)N 34a_100011265683_100000187820 [0,2,0,0,0,0|1,0,0]=3 11065 B13R1.643 CSc1cccc(c1)OCC(=O)N 62a_200000150604_200000210301 [0,2,0,0,0,0|1,0,0]=3 11066 B13R1.643 CSc1cccc(c1)OCC(=O)N 62a_200000210301_200000150604 [0,2,0,0,0,0|1,0,0]=3 11067 B13R1.643 CSc1cccc(c1)OCC(=O)N 7a_100011265683_100000187820 [0,2,0,0,0,0|1,0,0]=3 11068 B13R1.643 CSc1cccc(c1)OCC(=O)[O-] 34a_100011265683_100020667443 [0,2,0,0,0,0|0,0,1]=3 11069 B13R1.643 CSc1cccc(c1)OCC(C)O 34a_100011265683_100011218427 [0,2,0,0,0,0|1,0,1]=4 11070 B13R1.643 CSc1cccc(c1)OCC(C)O 7a_100011265683_100011218427 [0,2,0,0,0,0|1,0,1]=4 11071 B13R1.643 CSc1cccc(c1)OC[C@@H](C)O 34a_100011265683_100009817552 [0,2,0,0,0,0|1,0,1]=4 11072 B13R1.643 CSc1cccc(c1)OC[C@@H](C)O 7a_100011265683_100009817552 [0,2,0,0,0,0|1,0,1]=4 11073 B13R1.643 CSc1cccc(c1)OC[N+](=O)[O-] 34a_100011265683_100000761209 [0,2,0,0,0,0|1,0,1]=4 11074 B13R1.643 CSc1cccc(c1)SCC(=O)N 62a_100000747473_100011215954 [0,2,0,0,0,0|1,1,0]=4 11075 B13R1.643 CSc1cccc(c1)SCC(=O)N 62a_100011215954_100000747473 [0,2,0,0,0,0|1,1,0]=4 11076 B13R1.643 CSc1cccc(c1)SCC(=O)[O-] 62a_100011215954_100020667443 [0,2,0,0,0,0|0,1,1]=4 11077 B13R1.643 CSc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215954 [0,2,0,0,0,0|0,1,1]=4 11078 B13R1.643 C[C@@H](O)COc1cccc(c1)C#N 34a_100000184713_100009817552 [0,2,0,0,0,0|1,0,1]=4 11079 B13R1.643 C[C@@H](O)COc1cccc(c1)C#N 7a_100000184713_100009817552 [0,2,0,0,0,0|1,0,1]=4 11080 B13R1.643 C[C@@H](O)COc1cccc(c1)CBr 34a_100011660834_100009817552 [0,2,0,0,0,0|1,0,1]=4 11081 B13R1.643 C[C@@H](O)COc1cccc(c1)CBr 7a_100011660834_100009817552 [0,2,0,0,0,0|1,0,1]=4 11082 B13R1.643 C[C@@H](O)COc1cccc(c1)CCl 34a_100000084143_100009817552 [0,2,0,0,0,0|1,0,1]=4 11083 B13R1.643 C[C@@H](O)COc1cccc(c1)CCl 7a_100000084143_100009817552 [0,2,0,0,0,0|1,0,1]=4 11084 B13R1.643 C[C@@H](O)COc1cccc(c1)CN 34a_100000743036_100009817552 [0,2,0,0,0,0|1,0,1]=4 11085 B13R1.643 C[C@@H](O)COc1cccc(c1)CO 34a_100011214949_100009817552 [0,2,0,0,0,0|1,0,1]=4 11086 B13R1.643 C[C@@H](O)COc1cccc(c1)CO 7a_100011214949_100009817552 [0,2,0,0,0,0|1,0,1]=4 11087 B13R1.643 N#Cc1cc(ccn1)OCC(=O)N 34a_100011777083_100000187820 [0,2,0,0,0,0|2,0,0]=4 11088 B13R1.643 N#Cc1cc(ccn1)OCC(=O)N 7a_100011777083_100000187820 [0,2,0,0,0,0|2,0,0]=4 11089 B13R1.643 N#Cc1cc(ccn1)OCC(=O)[O-] 34a_100011777083_100020667443 [0,2,0,0,0,0|1,0,1]=4 11090 B13R1.643 N#Cc1cccc(c1)NCC(=O)N 34a_100000210922_100000187820 [0,2,0,0,0,0|2,0,0]=4 11091 B13R1.643 N#Cc1cccc(c1)NCC(=O)N 7a_100000210922_100000187820 [0,2,0,0,0,0|2,0,0]=4 11092 B13R1.643 N#Cc1cccc(c1)NCC(=O)[O-] 34a_100000210922_100020667443 [0,2,0,0,0,0|1,0,1]=4 11093 B13R1.643 N#Cc1cccc(c1)OCC(=O)N 34a_100000184713_100000187820 [0,2,0,0,0,0|1,0,0]=3 11094 B13R1.643 N#Cc1cccc(c1)OCC(=O)N 7a_100000184713_100000187820 [0,2,0,0,0,0|1,0,0]=3 11095 B13R1.643 N#Cc1cccc(c1)OCC(=O)[O-] 34a_100000184713_100020667443 [0,2,0,0,0,0|0,0,1]=3 11096 B13R1.643 N#Cc1cccc(c1)OC[N+](=O)[O-] 34a_100000184713_100000761209 [0,2,0,0,0,0|1,0,1]=4 11097 B13R1.643 N#Cc1cccc(c1)SCC(=O)N 62a_100000747473_100000189340 [0,2,0,0,0,0|1,1,0]=4 11098 B13R1.643 N#Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000189340 [0,2,0,0,0,0|0,1,1]=4 11099 B13R1.643 N#Cc1cncc(c1)OCC(=O)N 34a_100012002025_100000187820 [0,2,0,0,0,0|2,0,0]=4 11100 B13R1.643 N#Cc1cncc(c1)OCC(=O)N 7a_100012002025_100000187820 [0,2,0,0,0,0|2,0,0]=4 11101 B13R1.643 N#Cc1cncc(c1)OCC(=O)[O-] 34a_100012002025_100020667443 [0,2,0,0,0,0|1,0,1]=4 11102 B13R1.643 NC(=O)CNc1cccc(c1)CF 2230a_100000126320_100000747473 [0,2,0,0,0,0|2,0,0]=4 11103 B13R1.643 NC(=O)CNc1cccc(c1)CF 34a_100000126320_100000187820 [0,2,0,0,0,0|2,0,0]=4 11104 B13R1.643 NC(=O)CNc1cccc(c1)CF 7a_100000126320_100000187820 [0,2,0,0,0,0|2,0,0]=4 11105 B13R1.643 NC(=O)CNc1cccc(c1)CO 2230a_100000211919_100000747473 [0,2,0,0,0,0|2,0,0]=4 11106 B13R1.643 NC(=O)CNc1cccc(c1)CO 34a_100000211919_100000187820 [0,2,0,0,0,0|2,0,0]=4 11107 B13R1.643 NC(=O)COc1cccc(c1)CBr 34a_100011660834_100000187820 [0,2,0,0,0,0|1,0,0]=3 11108 B13R1.643 NC(=O)COc1cccc(c1)CBr 7a_100011660834_100000187820 [0,2,0,0,0,0|1,0,0]=3 11109 B13R1.643 NC(=O)COc1cccc(c1)CCl 34a_100000084143_100000187820 [0,2,0,0,0,0|1,0,0]=3 11110 B13R1.643 NC(=O)COc1cccc(c1)CCl 7a_100000084143_100000187820 [0,2,0,0,0,0|1,0,0]=3 11111 B13R1.643 NC(=O)COc1cccc(c1)CO 34a_100011214949_100000187820 [0,2,0,0,0,0|1,0,0]=3 11112 B13R1.643 NC(=O)COc1cccc(c1)CO 7a_100011214949_100000187820 [0,2,0,0,0,0|1,0,0]=3 11113 B13R1.643 NC(=O)CSc1cccc(c1)C=O 62a_100000014684_100000747473 [0,2,0,0,0,0|1,1,0]=4 11114 B13R1.643 NC(=O)CSc1cccc(c1)C=O 62a_100000747473_100000014684 [0,2,0,0,0,0|1,1,0]=4 11115 B13R1.643 NC(=O)CSc1cccc(c1)CF 62a_100000747473_100010878472 [0,2,0,0,0,0|1,1,0]=4 11116 B13R1.643 NC(=O)CSc1cccc(c1)CF 62a_100010878472_100000747473 [0,2,0,0,0,0|1,1,0]=4 11117 B13R1.643 NC(=O)CSc1cccc(c1)CO 62a_100000687537_100000747473 [0,2,0,0,0,0|1,1,0]=4 11118 B13R1.643 NC(=O)CSc1cccc(c1)CO 62a_100000747473_100000687537 [0,2,0,0,0,0|1,1,0]=4 11119 B13R1.643 NCc1cccc(c1)OCC(=O)N 34a_100000743036_100000187820 [0,2,0,0,0,0|1,0,0]=3 11120 B13R1.643 NCc1cccc(c1)OCC(=O)[O-] 34a_100000743036_100020667443 [0,2,0,0,0,0|0,0,1]=3 11121 B13R1.643 NCc1cccc(c1)OC[N+](=O)[O-] 34a_100000743036_100000761209 [0,2,0,0,0,0|1,0,1]=4 11122 B13R1.643 NCc1cccc(c1)SCC(=O)N 62a_100000106179_100000747473 [0,2,0,0,0,0|1,1,0]=4 11123 B13R1.643 NCc1cccc(c1)SCC(=O)N 62a_100000747473_100000106179 [0,2,0,0,0,0|1,1,0]=4 11124 B13R1.643 NCc1cccc(c1)SCC(=O)[O-] 62a_100000106179_100020667443 [0,2,0,0,0,0|0,1,1]=4 11125 B13R1.643 NCc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000106179 [0,2,0,0,0,0|0,1,1]=4 11126 B13R1.643 NCc1ccnc(c1)OCC(=O)N 34a_100000748557_100000187820 [0,2,0,0,0,0|2,0,0]=4 11127 B13R1.643 NCc1ccnc(c1)OCC(=O)[O-] 34a_100000748557_100020667443 [0,2,0,0,0,0|1,0,1]=4 11128 B13R1.643 NNc1cccc(c1)SCC(=O)N 62a_100000217339_100000747473 [0,2,0,0,0,0|1,1,0]=4 11129 B13R1.643 NNc1cccc(c1)SCC(=O)N 62a_100000747473_100000217339 [0,2,0,0,0,0|1,1,0]=4 11130 B13R1.643 NNc1cccc(c1)SCC(=O)[O-] 62a_100000217339_100020667443 [0,2,0,0,0,0|0,1,1]=4 11131 B13R1.643 NNc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000217339 [0,2,0,0,0,0|0,1,1]=4 11132 B13R1.643 O=C([O-])CNc1cccc(c1)CF 34a_100000126320_100020667443 [0,2,0,0,0,0|1,0,1]=4 11133 B13R1.643 O=C([O-])CNc1cccc(c1)CO 34a_100000211919_100020667443 [0,2,0,0,0,0|1,0,1]=4 11134 B13R1.643 O=C([O-])COc1cccc(c1)CBr 34a_100011660834_100020667443 [0,2,0,0,0,0|0,0,1]=3 11135 B13R1.643 O=C([O-])COc1cccc(c1)CCl 34a_100000084143_100020667443 [0,2,0,0,0,0|0,0,1]=3 11136 B13R1.643 O=C([O-])COc1cccc(c1)CO 34a_100011214949_100020667443 [0,2,0,0,0,0|0,0,1]=3 11137 B13R1.643 O=C([O-])CSc1cccc(c1)CF 62a_100010878472_100020667443 [0,2,0,0,0,0|0,1,1]=4 11138 B13R1.643 O=C([O-])CSc1cccc(c1)CF 62a_100020667443_100010878472 [0,2,0,0,0,0|0,1,1]=4 11139 B13R1.643 O=C([O-])CSc1cccc(c1)CO 62a_100000687537_100020667443 [0,2,0,0,0,0|0,1,1]=4 11140 B13R1.643 O=C([O-])CSc1cccc(c1)CO 62a_100020667443_100000687537 [0,2,0,0,0,0|0,1,1]=4 11141 B13R1.643 O=Cc1cccc(c1)SCC(=O)[O-] 62a_100000014684_100020667443 [0,2,0,0,0,0|0,1,1]=4 11142 B13R1.643 O=Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000014684 [0,2,0,0,0,0|0,1,1]=4 11143 B13R1.643 O=[N+]([O-])COc1cccc(c1)CBr 34a_100011660834_100000761209 [0,2,0,0,0,0|1,0,1]=4 11144 B13R1.643 O=[N+]([O-])COc1cccc(c1)CCl 34a_100000084143_100000761209 [0,2,0,0,0,0|1,0,1]=4 11145 B13R1.643 O=[N+]([O-])COc1cccc(c1)CO 34a_100011214949_100000761209 [0,2,0,0,0,0|1,0,1]=4 11146 B13R1.643 [13CH3]C(=O)CCc1cccc(c1)C#N 1458a_100011998624_200025704644 [0,2,0,0,0,0|2,0,0]=4 11147 B13R1.643 [13CH3]C(=O)COc1cccc(c1)C#N 1458a_100000230692_200025704644 [0,2,0,0,0,0|1,0,0]=3 11148 B13R1.643 [13CH3]Sc1cccc(c1)CCC(=O)N 62a_100000162029_200025704644 [0,2,0,0,0,0|2,0,0]=4 11149 B13R1.643 [13CH3]Sc1cccc(c1)CCC(=O)N 62a_200025704644_100000162029 [0,2,0,0,0,0|2,0,0]=4 11150 B13R1.643 [13CH3]Sc1cccc(c1)OCC(=O)N 62a_200000150604_200025704644 [0,2,0,0,0,0|1,0,0]=3 11151 B13R1.643 [13CH3]Sc1cccc(c1)OCC(=O)N 62a_200025704644_200000150604 [0,2,0,0,0,0|1,0,0]=3 11152 B13R1.838 CC(C)(O)COc1cccc(c1)Br 34a_100000210342_100000764493 [0,2,0,0,0,0|1,0,1]=4 11153 B13R1.838 CC(C)(O)COc1cccc(c1)Br 7a_100000210342_100000764493 [0,2,0,0,0,0|1,0,1]=4 11154 B13R1.838 CC(C)(O)COc1cccc(c1)Cl 34a_100000210295_100000764493 [0,2,0,0,0,0|1,0,1]=4 11155 B13R1.838 CC(C)(O)COc1cccc(c1)Cl 7a_100000210295_100000764493 [0,2,0,0,0,0|1,0,1]=4 11156 B13R1.838 CC(C)(O)COc1cccc(c1)F 34a_100000210426_100000764493 [0,2,0,0,0,0|1,0,1]=4 11157 B13R1.838 CC(C)(O)COc1cccc(c1)F 7a_100000210426_100000764493 [0,2,0,0,0,0|1,0,1]=4 11158 B13R1.838 CC(C)(O)COc1cccc(c1)I 34a_100000211634_100000764493 [0,2,0,0,0,0|1,0,1]=4 11159 B13R1.838 CC(C)(O)COc1cccc(c1)I 7a_100000211634_100000764493 [0,2,0,0,0,0|1,0,1]=4 11160 B13R1.838 CC(C)(O)COc1cccc(c1)N 34a_100000210217_100000764493 [0,2,0,0,0,0|1,0,1]=4 11161 B13R1.838 Cc1cccc(c1)OCC(C)(C)O 34a_100000210337_100000764493 [0,2,0,0,0,0|1,0,1]=4 11162 B13R1.838 Cc1cccc(c1)OCC(C)(C)O 7a_100000210337_100000764493 [0,2,0,0,0,0|1,0,1]=4 11163 B13R1.838 Cc1cccc(c1)OCS(=O)(=O)[O-] 34a_100000210337_100009817235 [0,2,0,0,0,0|1,0,1]=4 11164 B13R1.838 Nc1cccc(c1)OCS(=O)(=O)[O-] 34a_100000210217_100009817235 [0,2,0,0,0,0|1,0,1]=4 11165 B13R1.838 O=S(=O)([O-])COc1cccc(c1)Br 34a_100000210342_100009817235 [0,2,0,0,0,0|1,0,1]=4 11166 B13R1.838 O=S(=O)([O-])COc1cccc(c1)Cl 34a_100000210295_100009817235 [0,2,0,0,0,0|1,0,1]=4 11167 B13R1.838 O=S(=O)([O-])COc1cccc(c1)F 34a_100000210426_100009817235 [0,2,0,0,0,0|1,0,1]=4 11168 B13R1.838 O=S(=O)([O-])COc1cccc(c1)I 34a_100000211634_100009817235 [0,2,0,0,0,0|1,0,1]=4 11169 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)Br 34a_100010167048_100000748629 [0,2,0,0,0,0|2,0,0]=4 11170 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)Br 7a_100010167048_100000748629 [0,2,0,0,0,0|2,0,0]=4 11171 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)C 34a_100011999630_100000748629 [0,2,0,0,0,0|2,0,0]=4 11172 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)C 7a_100011999630_100000748629 [0,2,0,0,0,0|2,0,0]=4 11173 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)Cl 34a_100010185897_100000748629 [0,2,0,0,0,0|2,0,0]=4 11174 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)Cl 7a_100010185897_100000748629 [0,2,0,0,0,0|2,0,0]=4 11175 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)F 34a_100000688818_100000748629 [0,2,0,0,0,0|2,0,0]=4 11176 B13R1.3420 C=C(C)COc1cc(cc(c1)Br)F 7a_100000688818_100000748629 [0,2,0,0,0,0|2,0,0]=4 11177 B13R1.3420 C=C(C)COc1cc(cc(c1)C)C 34a_100000210933_100000748629 [0,2,0,0,0,0|2,0,0]=4 11178 B13R1.3420 C=C(C)COc1cc(cc(c1)C)C 7a_100000210933_100000748629 [0,2,0,0,0,0|2,0,0]=4 11179 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)C 34a_100000087485_100000748629 [0,2,0,0,0,0|2,0,0]=4 11180 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)C 7a_100000087485_100000748629 [0,2,0,0,0,0|2,0,0]=4 11181 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)Cl 34a_100000181315_100000748629 [0,2,0,0,0,0|2,0,0]=4 11182 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)Cl 7a_100000181315_100000748629 [0,2,0,0,0,0|2,0,0]=4 11183 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)F 34a_100011219751_100000748629 [0,2,0,0,0,0|2,0,0]=4 11184 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)F 7a_100011219751_100000748629 [0,2,0,0,0,0|2,0,0]=4 11185 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)N 34a_100000123917_100000748629 [0,2,0,0,0,0|2,0,0]=4 11186 B13R1.3420 C=C(C)COc1cc(cc(c1)Cl)N 7a_100000123917_100000748629 [0,2,0,0,0,0|2,0,0]=4 11187 B13R1.3420 C=C(C)COc1cc(cc(c1)F)C 34a_100011830401_100000748629 [0,2,0,0,0,0|2,0,0]=4 11188 B13R1.3420 C=C(C)COc1cc(cc(c1)F)C 7a_100011830401_100000748629 [0,2,0,0,0,0|2,0,0]=4 11189 B13R1.3420 C=C(C)COc1cc(cc(c1)F)F 34a_100000747503_100000748629 [0,2,0,0,0,0|2,0,0]=4 11190 B13R1.3420 C=C(C)COc1cc(cc(c1)F)F 7a_100000747503_100000748629 [0,2,0,0,0,0|2,0,0]=4 11191 B13R1.3420 C=C(C)COc1cc(cc(c1)I)Br 34a_100010068917_100000748629 [0,2,0,0,0,0|2,0,0]=4 11192 B13R1.3420 C=C(C)COc1cc(cc(c1)I)Br 7a_100010068917_100000748629 [0,2,0,0,0,0|2,0,0]=4 11193 B13R1.3420 C=C(C)COc1cc(cc(c1)I)Cl 34a_100010068924_100000748629 [0,2,0,0,0,0|2,0,0]=4 11194 B13R1.3420 C=C(C)COc1cc(cc(c1)I)Cl 7a_100010068924_100000748629 [0,2,0,0,0,0|2,0,0]=4 11195 B13R1.3420 C=C(C)COc1cc(cc(c1)I)F 34a_100000717995_100000748629 [0,2,0,0,0,0|2,0,0]=4 11196 B13R1.3420 C=C(C)COc1cc(cc(c1)I)F 7a_100000717995_100000748629 [0,2,0,0,0,0|2,0,0]=4 11197 B13R1.3420 C=C(C)COc1cc(cc(c1)N)C 34a_100011995906_100000748629 [0,2,0,0,0,0|2,0,0]=4 11198 B13R1.3420 C=C(C)COc1cc(cc(c1)N)C 7a_100011995906_100000748629 [0,2,0,0,0,0|2,0,0]=4 11199 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)Br 34a_100010167048_100009893438 [0,2,0,0,0,0|2,0,0]=4 11200 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)Br 7a_100010167048_100000042424 [0,2,0,0,0,0|2,0,0]=4 11201 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)C 34a_100011999630_100009893438 [0,2,0,0,0,0|2,0,0]=4 11202 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)C 7a_100011999630_100000042424 [0,2,0,0,0,0|2,0,0]=4 11203 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)Cl 34a_100010185897_100009893438 [0,2,0,0,0,0|2,0,0]=4 11204 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)Cl 7a_100010185897_100000042424 [0,2,0,0,0,0|2,0,0]=4 11205 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)F 34a_100000688818_100009893438 [0,2,0,0,0,0|2,0,0]=4 11206 B13R1.3420 C=C(F)COc1cc(cc(c1)Br)F 7a_100000688818_100000042424 [0,2,0,0,0,0|2,0,0]=4 11207 B13R1.3420 C=C(F)COc1cc(cc(c1)C)C 34a_100000210933_100009893438 [0,2,0,0,0,0|2,0,0]=4 11208 B13R1.3420 C=C(F)COc1cc(cc(c1)C)C 7a_100000210933_100000042424 [0,2,0,0,0,0|2,0,0]=4 11209 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)C 34a_100000087485_100009893438 [0,2,0,0,0,0|2,0,0]=4 11210 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)C 7a_100000087485_100000042424 [0,2,0,0,0,0|2,0,0]=4 11211 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)Cl 34a_100000181315_100009893438 [0,2,0,0,0,0|2,0,0]=4 11212 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)Cl 7a_100000181315_100000042424 [0,2,0,0,0,0|2,0,0]=4 11213 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)F 34a_100011219751_100009893438 [0,2,0,0,0,0|2,0,0]=4 11214 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)F 7a_100011219751_100000042424 [0,2,0,0,0,0|2,0,0]=4 11215 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)N 34a_100000123917_100009893438 [0,2,0,0,0,0|2,0,0]=4 11216 B13R1.3420 C=C(F)COc1cc(cc(c1)Cl)N 7a_100000123917_100000042424 [0,2,0,0,0,0|2,0,0]=4 11217 B13R1.3420 C=C(F)COc1cc(cc(c1)F)C 34a_100011830401_100009893438 [0,2,0,0,0,0|2,0,0]=4 11218 B13R1.3420 C=C(F)COc1cc(cc(c1)F)C 7a_100011830401_100000042424 [0,2,0,0,0,0|2,0,0]=4 11219 B13R1.3420 C=C(F)COc1cc(cc(c1)F)F 34a_100000747503_100009893438 [0,2,0,0,0,0|2,0,0]=4 11220 B13R1.3420 C=C(F)COc1cc(cc(c1)F)F 7a_100000747503_100000042424 [0,2,0,0,0,0|2,0,0]=4 11221 B13R1.3420 C=C(F)COc1cc(cc(c1)I)Br 34a_100010068917_100009893438 [0,2,0,0,0,0|2,0,0]=4 11222 B13R1.3420 C=C(F)COc1cc(cc(c1)I)Br 7a_100010068917_100000042424 [0,2,0,0,0,0|2,0,0]=4 11223 B13R1.3420 C=C(F)COc1cc(cc(c1)I)Cl 34a_100010068924_100009893438 [0,2,0,0,0,0|2,0,0]=4 11224 B13R1.3420 C=C(F)COc1cc(cc(c1)I)Cl 7a_100010068924_100000042424 [0,2,0,0,0,0|2,0,0]=4 11225 B13R1.3420 C=C(F)COc1cc(cc(c1)I)F 34a_100000717995_100009893438 [0,2,0,0,0,0|2,0,0]=4 11226 B13R1.3420 C=C(F)COc1cc(cc(c1)I)F 7a_100000717995_100000042424 [0,2,0,0,0,0|2,0,0]=4 11227 B13R1.3420 C=C(F)COc1cc(cc(c1)N)C 34a_100011995906_100009893438 [0,2,0,0,0,0|2,0,0]=4 11228 B13R1.3420 C=C(F)COc1cc(cc(c1)N)C 7a_100011995906_100000042424 [0,2,0,0,0,0|2,0,0]=4 11229 B13R1.3420 CC(=O)CCc1cc(cc(c1)Br)Br 1458a_100010253072_200000210301 [0,2,0,0,0,0|2,0,0]=4 11230 B13R1.3420 CC(=O)CCc1cc(cc(c1)Br)F 1458a_100012357547_200000210301 [0,2,0,0,0,0|2,0,0]=4 11231 B13R1.3420 CC(=O)CCc1cc(cc(c1)C)C 1458a_100000688337_200000210301 [0,2,0,0,0,0|2,0,0]=4 11232 B13R1.3420 CC(=O)CCc1cc(cc(c1)Cl)Cl 1458a_100000070787_100000691793 [0,2,0,0,0,0|2,0,0]=4 11233 B13R1.3420 CC(=O)CCc1cc(cc(c1)Cl)Cl 1458a_100000689174_200000210301 [0,2,0,0,0,0|2,0,0]=4 11234 B13R1.3420 CC(=O)CCc1cc(cc(c1)F)F 1458a_100000070787_100011754442 [0,2,0,0,0,0|2,0,0]=4 11235 B13R1.3420 CC(=O)CCc1cc(cc(c1)F)F 1458a_100011934504_200000210301 [0,2,0,0,0,0|2,0,0]=4 11236 B13R1.3420 CC(=O)COc1cc(cc(c1)Br)Cl 1458a_100010899942_200000210301 [0,2,0,0,0,0|1,0,0]=3 11237 B13R1.3420 CC(=O)COc1cc(cc(c1)C)C 1458a_100000182991_200000210301 [0,2,0,0,0,0|1,0,0]=3 11238 B13R1.3420 CC(=O)COc1cc(cc(c1)Cl)Cl 1458a_100000764634_200000210301 [0,2,0,0,0,0|1,0,0]=3 11239 B13R1.3420 CC(O)COc1cc(cc(c1)Br)Br 34a_100010167048_100011218427 [0,2,0,0,0,0|1,0,1]=4 11240 B13R1.3420 CC(O)COc1cc(cc(c1)Br)Br 7a_100010167048_100011218427 [0,2,0,0,0,0|1,0,1]=4 11241 B13R1.3420 CC(O)COc1cc(cc(c1)Br)Cl 34a_100010185897_100011218427 [0,2,0,0,0,0|1,0,1]=4 11242 B13R1.3420 CC(O)COc1cc(cc(c1)Br)Cl 7a_100010185897_100011218427 [0,2,0,0,0,0|1,0,1]=4 11243 B13R1.3420 CC(O)COc1cc(cc(c1)Br)F 34a_100000688818_100011218427 [0,2,0,0,0,0|1,0,1]=4 11244 B13R1.3420 CC(O)COc1cc(cc(c1)Br)F 7a_100000688818_100011218427 [0,2,0,0,0,0|1,0,1]=4 11245 B13R1.3420 CC(O)COc1cc(cc(c1)Cl)Cl 34a_100000181315_100011218427 [0,2,0,0,0,0|1,0,1]=4 11246 B13R1.3420 CC(O)COc1cc(cc(c1)Cl)Cl 7a_100000181315_100011218427 [0,2,0,0,0,0|1,0,1]=4 11247 B13R1.3420 CC(O)COc1cc(cc(c1)Cl)F 34a_100011219751_100011218427 [0,2,0,0,0,0|1,0,1]=4 11248 B13R1.3420 CC(O)COc1cc(cc(c1)Cl)F 7a_100011219751_100011218427 [0,2,0,0,0,0|1,0,1]=4 11249 B13R1.3420 CC(O)COc1cc(cc(c1)Cl)N 34a_100000123917_100011218427 [0,2,0,0,0,0|1,0,1]=4 11250 B13R1.3420 CC(O)COc1cc(cc(c1)Cl)N 7a_100000123917_100011218427 [0,2,0,0,0,0|1,0,1]=4 11251 B13R1.3420 CC(O)COc1cc(cc(c1)F)F 34a_100000747503_100011218427 [0,2,0,0,0,0|1,0,1]=4 11252 B13R1.3420 CC(O)COc1cc(cc(c1)F)F 7a_100000747503_100011218427 [0,2,0,0,0,0|1,0,1]=4 11253 B13R1.3420 CC(O)COc1cc(cc(c1)I)Br 34a_100010068917_100011218427 [0,2,0,0,0,0|1,0,1]=4 11254 B13R1.3420 CC(O)COc1cc(cc(c1)I)Br 7a_100010068917_100011218427 [0,2,0,0,0,0|1,0,1]=4 11255 B13R1.3420 CC(O)COc1cc(cc(c1)I)Cl 34a_100010068924_100011218427 [0,2,0,0,0,0|1,0,1]=4 11256 B13R1.3420 CC(O)COc1cc(cc(c1)I)Cl 7a_100010068924_100011218427 [0,2,0,0,0,0|1,0,1]=4 11257 B13R1.3420 CC(O)COc1cc(cc(c1)I)F 34a_100000717995_100011218427 [0,2,0,0,0,0|1,0,1]=4 11258 B13R1.3420 CC(O)COc1cc(cc(c1)I)F 7a_100000717995_100011218427 [0,2,0,0,0,0|1,0,1]=4 11259 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Br)Br 34a_100010167048_100009817552 [0,2,0,0,0,0|1,0,1]=4 11260 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Br)Br 7a_100010167048_100009817552 [0,2,0,0,0,0|1,0,1]=4 11261 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Br)Cl 34a_100010185897_100009817552 [0,2,0,0,0,0|1,0,1]=4 11262 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Br)Cl 7a_100010185897_100009817552 [0,2,0,0,0,0|1,0,1]=4 11263 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Br)F 34a_100000688818_100009817552 [0,2,0,0,0,0|1,0,1]=4 11264 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Br)F 7a_100000688818_100009817552 [0,2,0,0,0,0|1,0,1]=4 11265 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Cl)Cl 34a_100000181315_100009817552 [0,2,0,0,0,0|1,0,1]=4 11266 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Cl)Cl 7a_100000181315_100009817552 [0,2,0,0,0,0|1,0,1]=4 11267 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Cl)F 34a_100011219751_100009817552 [0,2,0,0,0,0|1,0,1]=4 11268 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Cl)F 7a_100011219751_100009817552 [0,2,0,0,0,0|1,0,1]=4 11269 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Cl)N 34a_100000123917_100009817552 [0,2,0,0,0,0|1,0,1]=4 11270 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)Cl)N 7a_100000123917_100009817552 [0,2,0,0,0,0|1,0,1]=4 11271 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)F)F 34a_100000747503_100009817552 [0,2,0,0,0,0|1,0,1]=4 11272 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)F)F 7a_100000747503_100009817552 [0,2,0,0,0,0|1,0,1]=4 11273 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)I)Br 34a_100010068917_100009817552 [0,2,0,0,0,0|1,0,1]=4 11274 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)I)Br 7a_100010068917_100009817552 [0,2,0,0,0,0|1,0,1]=4 11275 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)I)Cl 34a_100010068924_100009817552 [0,2,0,0,0,0|1,0,1]=4 11276 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)I)Cl 7a_100010068924_100009817552 [0,2,0,0,0,0|1,0,1]=4 11277 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)I)F 34a_100000717995_100009817552 [0,2,0,0,0,0|1,0,1]=4 11278 B13R1.3420 C[C@@H](O)COc1cc(cc(c1)I)F 7a_100000717995_100009817552 [0,2,0,0,0,0|1,0,1]=4 11279 B13R1.3420 Cc1cc(=O)cc(o1)OCC(=O)N 34a_100016989201_100000187820 [0,2,0,0,0,0|2,0,0]=4 11280 B13R1.3420 Cc1cc(=O)cc(o1)OCC(=O)[O-] 34a_100016989201_100020667443 [0,2,0,0,0,0|1,0,1]=4 11281 B13R1.3420 Cc1cc(cc(=O)[nH]1)OCC(=O)N 34a_100000039070_100000187820 [0,2,0,0,0,0|2,0,0]=4 11282 B13R1.3420 Cc1cc(cc(=O)[nH]1)OCC(=O)[O-] 34a_100000039070_100020667443 [0,2,0,0,0,0|1,0,1]=4 11283 B13R1.3420 Cc1cc(cc(=O)o1)OCC(=O)N 34a_100000210952_100000187820 [0,2,0,0,0,0|2,0,0]=4 11284 B13R1.3420 Cc1cc(cc(=O)o1)OCC(=O)N 7a_100000210952_100000187820 [0,2,0,0,0,0|2,0,0]=4 11285 B13R1.3420 Cc1cc(cc(=O)o1)OCC(=O)[O-] 34a_100000210952_100020667443 [0,2,0,0,0,0|1,0,1]=4 11286 B13R1.3420 Cc1cc(cc(c1)CCC(=O)[13CH3])C 1458a_100000688337_200025704644 [0,2,0,0,0,0|2,0,0]=4 11287 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)Br 34a_100000695972_100000187820 [0,2,0,0,0,0|2,0,0]=4 11288 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)Br 7a_100000695972_100000187820 [0,2,0,0,0,0|2,0,0]=4 11289 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)C 2230a_100000210930_100000747473 [0,2,0,0,0,0|2,0,0]=4 11290 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)C 34a_100000210930_100000187820 [0,2,0,0,0,0|2,0,0]=4 11291 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)C 7a_100000210930_100000187820 [0,2,0,0,0,0|2,0,0]=4 11292 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)Cl 2230a_100012022512_100000747473 [0,2,0,0,0,0|2,0,0]=4 11293 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)Cl 34a_100012022512_100000187820 [0,2,0,0,0,0|2,0,0]=4 11294 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)Cl 7a_100012022512_100000187820 [0,2,0,0,0,0|2,0,0]=4 11295 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)F 2230a_100000742734_100000747473 [0,2,0,0,0,0|2,0,0]=4 11296 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)F 34a_100000742734_100000187820 [0,2,0,0,0,0|2,0,0]=4 11297 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)F 7a_100000742734_100000187820 [0,2,0,0,0,0|2,0,0]=4 11298 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)O 34a_100011995906_100000187820 [0,2,0,0,0,0|2,0,0]=4 11299 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)O 7a_100011995906_100000187820 [0,2,0,0,0,0|2,0,0]=4 11300 B13R1.3420 Cc1cc(cc(c1)NCC(=O)[O-])Br 34a_100000695972_100020667443 [0,2,0,0,0,0|1,0,1]=4 11301 B13R1.3420 Cc1cc(cc(c1)NCC(=O)[O-])C 34a_100000210930_100020667443 [0,2,0,0,0,0|1,0,1]=4 11302 B13R1.3420 Cc1cc(cc(c1)NCC(=O)[O-])Cl 34a_100012022512_100020667443 [0,2,0,0,0,0|1,0,1]=4 11303 B13R1.3420 Cc1cc(cc(c1)NCC(=O)[O-])F 34a_100000742734_100020667443 [0,2,0,0,0,0|1,0,1]=4 11304 B13R1.3420 Cc1cc(cc(c1)NCC(=O)[O-])O 34a_100011995906_100020667443 [0,2,0,0,0,0|1,0,1]=4 11305 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)Br 34a_100011999630_100000187820 [0,2,0,0,0,0|1,0,0]=3 11306 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)Br 7a_100011999630_100000187820 [0,2,0,0,0,0|1,0,0]=3 11307 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)C 34a_100000210933_100000187820 [0,2,0,0,0,0|1,0,0]=3 11308 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)C 7a_100000210933_100000187820 [0,2,0,0,0,0|1,0,0]=3 11309 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)Cl 34a_100000087485_100000187820 [0,2,0,0,0,0|1,0,0]=3 11310 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)Cl 7a_100000087485_100000187820 [0,2,0,0,0,0|1,0,0]=3 11311 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)F 34a_100011830401_100000187820 [0,2,0,0,0,0|1,0,0]=3 11312 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)F 7a_100011830401_100000187820 [0,2,0,0,0,0|1,0,0]=3 11313 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)N 34a_100011995906_100000187820 [0,2,0,0,0,0|1,0,0]=3 11314 B13R1.3420 Cc1cc(cc(c1)OCC(=O)N)N 7a_100011995906_100000187820 [0,2,0,0,0,0|1,0,0]=3 11315 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[13CH3])C 1458a_100000182991_200025704644 [0,2,0,0,0,0|1,0,0]=3 11316 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[O-])Br 34a_100011999630_100020667443 [0,2,0,0,0,0|0,0,1]=3 11317 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[O-])C 34a_100000210933_100020667443 [0,2,0,0,0,0|0,0,1]=3 11318 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[O-])Cl 34a_100000087485_100020667443 [0,2,0,0,0,0|0,0,1]=3 11319 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[O-])F 34a_100011830401_100020667443 [0,2,0,0,0,0|0,0,1]=3 11320 B13R1.3420 Cc1cc(cc(c1)OCC(=O)[O-])N 34a_100011995906_100020667443 [0,2,0,0,0,0|0,0,1]=3 11321 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)Br 34a_100011999630_100011218427 [0,2,0,0,0,0|1,0,1]=4 11322 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)Br 7a_100011999630_100011218427 [0,2,0,0,0,0|1,0,1]=4 11323 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)C 34a_100000210933_100011218427 [0,2,0,0,0,0|1,0,1]=4 11324 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)C 7a_100000210933_100011218427 [0,2,0,0,0,0|1,0,1]=4 11325 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)Cl 34a_100000087485_100011218427 [0,2,0,0,0,0|1,0,1]=4 11326 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)Cl 7a_100000087485_100011218427 [0,2,0,0,0,0|1,0,1]=4 11327 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)F 34a_100011830401_100011218427 [0,2,0,0,0,0|1,0,1]=4 11328 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)F 7a_100011830401_100011218427 [0,2,0,0,0,0|1,0,1]=4 11329 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)N 34a_100011995906_100011218427 [0,2,0,0,0,0|1,0,1]=4 11330 B13R1.3420 Cc1cc(cc(c1)OCC(C)O)N 7a_100011995906_100011218427 [0,2,0,0,0,0|1,0,1]=4 11331 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)Br 34a_100011999630_100009817552 [0,2,0,0,0,0|1,0,1]=4 11332 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)Br 7a_100011999630_100009817552 [0,2,0,0,0,0|1,0,1]=4 11333 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)C 34a_100000210933_100009817552 [0,2,0,0,0,0|1,0,1]=4 11334 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)C 7a_100000210933_100009817552 [0,2,0,0,0,0|1,0,1]=4 11335 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)Cl 34a_100000087485_100009817552 [0,2,0,0,0,0|1,0,1]=4 11336 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)Cl 7a_100000087485_100009817552 [0,2,0,0,0,0|1,0,1]=4 11337 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)F 34a_100011830401_100009817552 [0,2,0,0,0,0|1,0,1]=4 11338 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)F 7a_100011830401_100009817552 [0,2,0,0,0,0|1,0,1]=4 11339 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)N 34a_100011995906_100009817552 [0,2,0,0,0,0|1,0,1]=4 11340 B13R1.3420 Cc1cc(cc(c1)OC[C@@H](C)O)N 7a_100011995906_100009817552 [0,2,0,0,0,0|1,0,1]=4 11341 B13R1.3420 Cc1cc(cc(c1)OC[N+](=O)[O-])Br 34a_100011999630_100000761209 [0,2,0,0,0,0|1,0,1]=4 11342 B13R1.3420 Cc1cc(cc(c1)OC[N+](=O)[O-])C 34a_100000210933_100000761209 [0,2,0,0,0,0|1,0,1]=4 11343 B13R1.3420 Cc1cc(cc(c1)OC[N+](=O)[O-])Cl 34a_100000087485_100000761209 [0,2,0,0,0,0|1,0,1]=4 11344 B13R1.3420 Cc1cc(cc(c1)OC[N+](=O)[O-])F 34a_100011830401_100000761209 [0,2,0,0,0,0|1,0,1]=4 11345 B13R1.3420 Cc1cc(cc(c1)OC[N+](=O)[O-])N 34a_100011995906_100000761209 [0,2,0,0,0,0|1,0,1]=4 11346 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)C 62a_100000747473_100011215608 [0,2,0,0,0,0|1,1,0]=4 11347 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)C 62a_100011215608_100000747473 [0,2,0,0,0,0|1,1,0]=4 11348 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)Cl 62a_100000747473_100010172791 [0,2,0,0,0,0|1,1,0]=4 11349 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)Cl 62a_100010172791_100000747473 [0,2,0,0,0,0|1,1,0]=4 11350 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)F 62a_100000747473_100011356977 [0,2,0,0,0,0|1,1,0]=4 11351 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)F 62a_100011356977_100000747473 [0,2,0,0,0,0|1,1,0]=4 11352 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)N 62a_100000695972_100000747473 [0,2,0,0,0,0|1,1,0]=4 11353 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)N 62a_100000747473_100000695972 [0,2,0,0,0,0|1,1,0]=4 11354 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)O 62a_100000747473_100011999630 [0,2,0,0,0,0|1,1,0]=4 11355 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])C 62a_100011215608_100020667443 [0,2,0,0,0,0|0,1,1]=4 11356 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])C 62a_100020667443_100011215608 [0,2,0,0,0,0|0,1,1]=4 11357 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])Cl 62a_100010172791_100020667443 [0,2,0,0,0,0|0,1,1]=4 11358 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])Cl 62a_100020667443_100010172791 [0,2,0,0,0,0|0,1,1]=4 11359 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])F 62a_100011356977_100020667443 [0,2,0,0,0,0|0,1,1]=4 11360 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])F 62a_100020667443_100011356977 [0,2,0,0,0,0|0,1,1]=4 11361 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])N 62a_100000695972_100020667443 [0,2,0,0,0,0|0,1,1]=4 11362 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])N 62a_100020667443_100000695972 [0,2,0,0,0,0|0,1,1]=4 11363 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])O 62a_100020667443_100011999630 [0,2,0,0,0,0|0,1,1]=4 11364 B13R1.3420 NC(=O)CNc1cc(cc(c1)Br)Br 34a_100012047176_100000187820 [0,2,0,0,0,0|2,0,0]=4 11365 B13R1.3420 NC(=O)CNc1cc(cc(c1)Br)Br 7a_100012047176_100000187820 [0,2,0,0,0,0|2,0,0]=4 11366 B13R1.3420 NC(=O)CNc1cc(cc(c1)Br)Cl 34a_100011934539_100000187820 [0,2,0,0,0,0|2,0,0]=4 11367 B13R1.3420 NC(=O)CNc1cc(cc(c1)Br)Cl 7a_100011934539_100000187820 [0,2,0,0,0,0|2,0,0]=4 11368 B13R1.3420 NC(=O)CNc1cc(cc(c1)Br)F 34a_100000705686_100000187820 [0,2,0,0,0,0|2,0,0]=4 11369 B13R1.3420 NC(=O)CNc1cc(cc(c1)Br)F 7a_100000705686_100000187820 [0,2,0,0,0,0|2,0,0]=4 11370 B13R1.3420 NC(=O)CNc1cc(cc(c1)Cl)Cl 34a_100000210456_100000187820 [0,2,0,0,0,0|2,0,0]=4 11371 B13R1.3420 NC(=O)CNc1cc(cc(c1)Cl)Cl 7a_100000210456_100000187820 [0,2,0,0,0,0|2,0,0]=4 11372 B13R1.3420 NC(=O)CNc1cc(cc(c1)Cl)F 34a_100000686136_100000187820 [0,2,0,0,0,0|2,0,0]=4 11373 B13R1.3420 NC(=O)CNc1cc(cc(c1)Cl)F 7a_100000686136_100000187820 [0,2,0,0,0,0|2,0,0]=4 11374 B13R1.3420 NC(=O)CNc1cc(cc(c1)Cl)O 34a_100000123917_100000187820 [0,2,0,0,0,0|2,0,0]=4 11375 B13R1.3420 NC(=O)CNc1cc(cc(c1)Cl)O 7a_100000123917_100000187820 [0,2,0,0,0,0|2,0,0]=4 11376 B13R1.3420 NC(=O)CNc1cc(cc(c1)F)F 34a_100000233717_100000187820 [0,2,0,0,0,0|2,0,0]=4 11377 B13R1.3420 NC(=O)CNc1cc(cc(c1)F)F 7a_100000233717_100000187820 [0,2,0,0,0,0|2,0,0]=4 11378 B13R1.3420 NC(=O)CNc1cc(cc(c1)I)Br 7a_100009814763_100000187820 [0,2,0,0,0,0|2,0,0]=4 11379 B13R1.3420 NC(=O)CNc1cc(cc(c1)I)Cl 7a_100010147676_100000187820 [0,2,0,0,0,0|2,0,0]=4 11380 B13R1.3420 NC(=O)CNc1cc(cc(c1)I)F 34a_100011356972_100000187820 [0,2,0,0,0,0|2,0,0]=4 11381 B13R1.3420 NC(=O)CNc1cc(cc(c1)I)F 7a_100011356972_100000187820 [0,2,0,0,0,0|2,0,0]=4 11382 B13R1.3420 NC(=O)CNc1cc(cc(c1)I)I 7a_200000696836_100000187820 [0,2,0,0,0,0|2,0,0]=4 11383 B13R1.3420 NC(=O)CNc1cc(cc(c1)O)O 34a_100000043371_100000187820 [0,2,0,0,0,0|2,0,0]=4 11384 B13R1.3420 NC(=O)COc1cc(cc(c1)Br)Br 34a_100010167048_100000187820 [0,2,0,0,0,0|1,0,0]=3 11385 B13R1.3420 NC(=O)COc1cc(cc(c1)Br)Br 7a_100010167048_100000187820 [0,2,0,0,0,0|1,0,0]=3 11386 B13R1.3420 NC(=O)COc1cc(cc(c1)Br)Cl 34a_100010185897_100000187820 [0,2,0,0,0,0|1,0,0]=3 11387 B13R1.3420 NC(=O)COc1cc(cc(c1)Br)Cl 7a_100010185897_100000187820 [0,2,0,0,0,0|1,0,0]=3 11388 B13R1.3420 NC(=O)COc1cc(cc(c1)Br)F 34a_100000688818_100000187820 [0,2,0,0,0,0|1,0,0]=3 11389 B13R1.3420 NC(=O)COc1cc(cc(c1)Br)F 7a_100000688818_100000187820 [0,2,0,0,0,0|1,0,0]=3 11390 B13R1.3420 NC(=O)COc1cc(cc(c1)Cl)Cl 34a_100000181315_100000187820 [0,2,0,0,0,0|1,0,0]=3 11391 B13R1.3420 NC(=O)COc1cc(cc(c1)Cl)Cl 7a_100000181315_100000187820 [0,2,0,0,0,0|1,0,0]=3 11392 B13R1.3420 NC(=O)COc1cc(cc(c1)Cl)F 34a_100011219751_100000187820 [0,2,0,0,0,0|1,0,0]=3 11393 B13R1.3420 NC(=O)COc1cc(cc(c1)Cl)F 7a_100011219751_100000187820 [0,2,0,0,0,0|1,0,0]=3 11394 B13R1.3420 NC(=O)COc1cc(cc(c1)Cl)N 34a_100000123917_100000187820 [0,2,0,0,0,0|1,0,0]=3 11395 B13R1.3420 NC(=O)COc1cc(cc(c1)Cl)N 7a_100000123917_100000187820 [0,2,0,0,0,0|1,0,0]=3 11396 B13R1.3420 NC(=O)COc1cc(cc(c1)F)F 34a_100000747503_100000187820 [0,2,0,0,0,0|1,0,0]=3 11397 B13R1.3420 NC(=O)COc1cc(cc(c1)F)F 7a_100000747503_100000187820 [0,2,0,0,0,0|1,0,0]=3 11398 B13R1.3420 NC(=O)COc1cc(cc(c1)I)Br 34a_100010068917_100000187820 [0,2,0,0,0,0|1,0,0]=3 11399 B13R1.3420 NC(=O)COc1cc(cc(c1)I)Br 7a_100010068917_100000187820 [0,2,0,0,0,0|1,0,0]=3 11400 B13R1.3420 NC(=O)COc1cc(cc(c1)I)Cl 34a_100010068924_100000187820 [0,2,0,0,0,0|1,0,0]=3 11401 B13R1.3420 NC(=O)COc1cc(cc(c1)I)Cl 7a_100010068924_100000187820 [0,2,0,0,0,0|1,0,0]=3 11402 B13R1.3420 NC(=O)COc1cc(cc(c1)I)F 34a_100000717995_100000187820 [0,2,0,0,0,0|1,0,0]=3 11403 B13R1.3420 NC(=O)COc1cc(cc(c1)I)F 7a_100000717995_100000187820 [0,2,0,0,0,0|1,0,0]=3 11404 B13R1.3420 NC(=O)COc1cc(nc(c1)Br)Br 34a_100010172823_100000187820 [0,2,0,0,0,0|2,0,0]=4 11405 B13R1.3420 NC(=O)COc1cc(nc(c1)Br)Br 7a_100010172823_100000187820 [0,2,0,0,0,0|2,0,0]=4 11406 B13R1.3420 NC(=O)CSc1cc(cc(c1)Br)Br 62a_100000747473_100009814770 [0,2,0,0,0,0|1,1,0]=4 11407 B13R1.3420 NC(=O)CSc1cc(cc(c1)Br)Br 62a_100009814770_100000747473 [0,2,0,0,0,0|1,1,0]=4 11408 B13R1.3420 NC(=O)CSc1cc(cc(c1)Br)Cl 62a_100000747473_100009814755 [0,2,0,0,0,0|1,1,0]=4 11409 B13R1.3420 NC(=O)CSc1cc(cc(c1)Br)Cl 62a_100009814755_100000747473 [0,2,0,0,0,0|1,1,0]=4 11410 B13R1.3420 NC(=O)CSc1cc(cc(c1)Br)F 62a_100000747473_100009814764 [0,2,0,0,0,0|1,1,0]=4 11411 B13R1.3420 NC(=O)CSc1cc(cc(c1)Br)F 62a_100009814764_100000747473 [0,2,0,0,0,0|1,1,0]=4 11412 B13R1.3420 NC(=O)CSc1cc(cc(c1)Br)N 62a_100000747473_100009814763 [0,2,0,0,0,0|1,1,0]=4 11413 B13R1.3420 NC(=O)CSc1cc(cc(c1)Br)N 62a_100009814763_100000747473 [0,2,0,0,0,0|1,1,0]=4 11414 B13R1.3420 NC(=O)CSc1cc(cc(c1)Br)O 62a_100000747473_100010068917 [0,2,0,0,0,0|1,1,0]=4 11415 B13R1.3420 NC(=O)CSc1cc(cc(c1)Br)O 62a_100010068917_100000747473 [0,2,0,0,0,0|1,1,0]=4 11416 B13R1.3420 NC(=O)CSc1cc(cc(c1)Cl)Cl 62a_100000747138_100000747473 [0,2,0,0,0,0|1,1,0]=4 11417 B13R1.3420 NC(=O)CSc1cc(cc(c1)Cl)Cl 62a_100000747473_100000747138 [0,2,0,0,0,0|1,1,0]=4 11418 B13R1.3420 NC(=O)CSc1cc(cc(c1)Cl)F 62a_100000747473_100013859453 [0,2,0,0,0,0|1,1,0]=4 11419 B13R1.3420 NC(=O)CSc1cc(cc(c1)Cl)F 62a_100013859453_100000747473 [0,2,0,0,0,0|1,1,0]=4 11420 B13R1.3420 NC(=O)CSc1cc(cc(c1)Cl)N 62a_100000747473_100010147676 [0,2,0,0,0,0|1,1,0]=4 11421 B13R1.3420 NC(=O)CSc1cc(cc(c1)Cl)N 62a_100010147676_100000747473 [0,2,0,0,0,0|1,1,0]=4 11422 B13R1.3420 NC(=O)CSc1cc(cc(c1)Cl)O 62a_100000747473_100010068924 [0,2,0,0,0,0|1,1,0]=4 11423 B13R1.3420 NC(=O)CSc1cc(cc(c1)Cl)O 62a_100010068924_100000747473 [0,2,0,0,0,0|1,1,0]=4 11424 B13R1.3420 NC(=O)CSc1cc(cc(c1)F)F 62a_100000233788_100000747473 [0,2,0,0,0,0|1,1,0]=4 11425 B13R1.3420 NC(=O)CSc1cc(cc(c1)F)F 62a_100000747473_100000233788 [0,2,0,0,0,0|1,1,0]=4 11426 B13R1.3420 NC(=O)CSc1cc(cc(c1)F)N 62a_100000747473_100011356972 [0,2,0,0,0,0|1,1,0]=4 11427 B13R1.3420 NC(=O)CSc1cc(cc(c1)F)N 62a_100011356972_100000747473 [0,2,0,0,0,0|1,1,0]=4 11428 B13R1.3420 NC(=O)CSc1cc(cc(c1)F)O 62a_100000688818_100000747473 [0,2,0,0,0,0|1,1,0]=4 11429 B13R1.3420 NC(=O)CSc1cc(cc(c1)F)O 62a_100000747473_100000688818 [0,2,0,0,0,0|1,1,0]=4 11430 B13R1.3420 NC(=O)CSc1cc(cc(c1)N)N 62a_100000747473_100011999608 [0,2,0,0,0,0|1,1,0]=4 11431 B13R1.3420 NC(=O)CSc1cc(cc(c1)N)N 62a_100011999608_100000747473 [0,2,0,0,0,0|1,1,0]=4 11432 B13R1.3420 NC(=O)CSc1cc(cc(c1)O)O 62a_100000747473_100009868816 [0,2,0,0,0,0|1,1,0]=4 11433 B13R1.3420 Nc1cc(cc(c1)OCC(=O)[O-])Cl 34a_100000123917_100020667443 [0,2,0,0,0,0|0,0,1]=3 11434 B13R1.3420 Nc1cc(cc(c1)OC[N+](=O)[O-])Cl 34a_100000123917_100000761209 [0,2,0,0,0,0|1,0,1]=4 11435 B13R1.3420 Nc1cc(cc(c1)SCC(=O)[O-])Br 62a_100009814763_100020667443 [0,2,0,0,0,0|0,1,1]=4 11436 B13R1.3420 Nc1cc(cc(c1)SCC(=O)[O-])Br 62a_100020667443_100009814763 [0,2,0,0,0,0|0,1,1]=4 11437 B13R1.3420 Nc1cc(cc(c1)SCC(=O)[O-])Cl 62a_100010147676_100020667443 [0,2,0,0,0,0|0,1,1]=4 11438 B13R1.3420 Nc1cc(cc(c1)SCC(=O)[O-])Cl 62a_100020667443_100010147676 [0,2,0,0,0,0|0,1,1]=4 11439 B13R1.3420 Nc1cc(cc(c1)SCC(=O)[O-])F 62a_100011356972_100020667443 [0,2,0,0,0,0|0,1,1]=4 11440 B13R1.3420 Nc1cc(cc(c1)SCC(=O)[O-])F 62a_100020667443_100011356972 [0,2,0,0,0,0|0,1,1]=4 11441 B13R1.3420 Nc1cc(cc(c1)SCC(=O)[O-])N 62a_100011999608_100020667443 [0,2,0,0,0,0|0,1,1]=4 11442 B13R1.3420 Nc1cc(cc(c1)SCC(=O)[O-])N 62a_100020667443_100011999608 [0,2,0,0,0,0|0,1,1]=4 11443 B13R1.3420 O=C([O-])CNc1cc(cc(c1)Br)Br 34a_100012047176_100020667443 [0,2,0,0,0,0|1,0,1]=4 11444 B13R1.3420 O=C([O-])CNc1cc(cc(c1)Br)Cl 34a_100011934539_100020667443 [0,2,0,0,0,0|1,0,1]=4 11445 B13R1.3420 O=C([O-])CNc1cc(cc(c1)Br)F 34a_100000705686_100020667443 [0,2,0,0,0,0|1,0,1]=4 11446 B13R1.3420 O=C([O-])CNc1cc(cc(c1)Cl)Cl 34a_100000210456_100020667443 [0,2,0,0,0,0|1,0,1]=4 11447 B13R1.3420 O=C([O-])CNc1cc(cc(c1)Cl)F 34a_100000686136_100020667443 [0,2,0,0,0,0|1,0,1]=4 11448 B13R1.3420 O=C([O-])CNc1cc(cc(c1)Cl)O 34a_100000123917_100020667443 [0,2,0,0,0,0|1,0,1]=4 11449 B13R1.3420 O=C([O-])CNc1cc(cc(c1)F)F 34a_100000233717_100020667443 [0,2,0,0,0,0|1,0,1]=4 11450 B13R1.3420 O=C([O-])CNc1cc(cc(c1)I)F 34a_100011356972_100020667443 [0,2,0,0,0,0|1,0,1]=4 11451 B13R1.3420 O=C([O-])CNc1cc(cc(c1)O)O 34a_100000043371_100020667443 [0,2,0,0,0,0|1,0,1]=4 11452 B13R1.3420 O=C([O-])COc1cc(cc(c1)Br)Br 34a_100010167048_100020667443 [0,2,0,0,0,0|0,0,1]=3 11453 B13R1.3420 O=C([O-])COc1cc(cc(c1)Br)Cl 34a_100010185897_100020667443 [0,2,0,0,0,0|0,0,1]=3 11454 B13R1.3420 O=C([O-])COc1cc(cc(c1)Br)F 34a_100000688818_100020667443 [0,2,0,0,0,0|0,0,1]=3 11455 B13R1.3420 O=C([O-])COc1cc(cc(c1)Cl)Cl 34a_100000181315_100020667443 [0,2,0,0,0,0|0,0,1]=3 11456 B13R1.3420 O=C([O-])COc1cc(cc(c1)Cl)F 34a_100011219751_100020667443 [0,2,0,0,0,0|0,0,1]=3 11457 B13R1.3420 O=C([O-])COc1cc(cc(c1)F)F 34a_100000747503_100020667443 [0,2,0,0,0,0|0,0,1]=3 11458 B13R1.3420 O=C([O-])COc1cc(cc(c1)I)Br 34a_100010068917_100020667443 [0,2,0,0,0,0|0,0,1]=3 11459 B13R1.3420 O=C([O-])COc1cc(cc(c1)I)Cl 34a_100010068924_100020667443 [0,2,0,0,0,0|0,0,1]=3 11460 B13R1.3420 O=C([O-])COc1cc(cc(c1)I)F 34a_100000717995_100020667443 [0,2,0,0,0,0|0,0,1]=3 11461 B13R1.3420 O=C([O-])COc1cc(nc(c1)Br)Br 34a_100010172823_100020667443 [0,2,0,0,0,0|1,0,1]=4 11462 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Br)Br 62a_100009814770_100020667443 [0,2,0,0,0,0|0,1,1]=4 11463 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Br)Br 62a_100020667443_100009814770 [0,2,0,0,0,0|0,1,1]=4 11464 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Br)Cl 62a_100009814755_100020667443 [0,2,0,0,0,0|0,1,1]=4 11465 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Br)Cl 62a_100020667443_100009814755 [0,2,0,0,0,0|0,1,1]=4 11466 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Br)F 62a_100009814764_100020667443 [0,2,0,0,0,0|0,1,1]=4 11467 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Br)F 62a_100020667443_100009814764 [0,2,0,0,0,0|0,1,1]=4 11468 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Br)O 62a_100010068917_100020667443 [0,2,0,0,0,0|0,1,1]=4 11469 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Br)O 62a_100020667443_100010068917 [0,2,0,0,0,0|0,1,1]=4 11470 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Cl)Cl 62a_100000747138_100020667443 [0,2,0,0,0,0|0,1,1]=4 11471 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Cl)Cl 62a_100020667443_100000747138 [0,2,0,0,0,0|0,1,1]=4 11472 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Cl)F 62a_100013859453_100020667443 [0,2,0,0,0,0|0,1,1]=4 11473 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Cl)F 62a_100020667443_100013859453 [0,2,0,0,0,0|0,1,1]=4 11474 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Cl)O 62a_100010068924_100020667443 [0,2,0,0,0,0|0,1,1]=4 11475 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Cl)O 62a_100020667443_100010068924 [0,2,0,0,0,0|0,1,1]=4 11476 B13R1.3420 O=C([O-])CSc1cc(cc(c1)F)F 62a_100000233788_100020667443 [0,2,0,0,0,0|0,1,1]=4 11477 B13R1.3420 O=C([O-])CSc1cc(cc(c1)F)F 62a_100020667443_100000233788 [0,2,0,0,0,0|0,1,1]=4 11478 B13R1.3420 O=C([O-])CSc1cc(cc(c1)F)O 62a_100000688818_100020667443 [0,2,0,0,0,0|0,1,1]=4 11479 B13R1.3420 O=C([O-])CSc1cc(cc(c1)F)O 62a_100020667443_100000688818 [0,2,0,0,0,0|0,1,1]=4 11480 B13R1.3420 O=C([O-])CSc1cc(cc(c1)O)O 62a_100020667443_100009868816 [0,2,0,0,0,0|0,1,1]=4 11481 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)Br)Br 34a_100010167048_100000761209 [0,2,0,0,0,0|1,0,1]=4 11482 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)Br)Cl 34a_100010185897_100000761209 [0,2,0,0,0,0|1,0,1]=4 11483 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)Br)F 34a_100000688818_100000761209 [0,2,0,0,0,0|1,0,1]=4 11484 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)Cl)Cl 34a_100000181315_100000761209 [0,2,0,0,0,0|1,0,1]=4 11485 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)Cl)F 34a_100011219751_100000761209 [0,2,0,0,0,0|1,0,1]=4 11486 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)F)F 34a_100000747503_100000761209 [0,2,0,0,0,0|1,0,1]=4 11487 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)I)Br 34a_100010068917_100000761209 [0,2,0,0,0,0|1,0,1]=4 11488 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)I)Cl 34a_100010068924_100000761209 [0,2,0,0,0,0|1,0,1]=4 11489 B13R1.3420 O=[N+]([O-])COc1cc(cc(c1)I)F 34a_100000717995_100000761209 [0,2,0,0,0,0|1,0,1]=4 11490 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)Br)Br 1458a_100010253072_200025704644 [0,2,0,0,0,0|2,0,0]=4 11491 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)Br)F 1458a_100012357547_200025704644 [0,2,0,0,0,0|2,0,0]=4 11492 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)Cl)Cl 1458a_100000689174_200025704644 [0,2,0,0,0,0|2,0,0]=4 11493 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)F)F 1458a_100011934504_200025704644 [0,2,0,0,0,0|2,0,0]=4 11494 B13R1.3420 [13CH3]C(=O)COc1cc(cc(c1)Br)Cl 1458a_100010899942_200025704644 [0,2,0,0,0,0|1,0,0]=3 11495 B13R1.3420 [13CH3]C(=O)COc1cc(cc(c1)Cl)Cl 1458a_100000764634_200025704644 [0,2,0,0,0,0|1,0,0]=3 11496 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,1,0,0|0,0,1]=3 11497 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [1,0,0,1,0,0|1,0,1]=4 11498 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,1,0,0|0,1,1]=4 11499 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,1,0,0|2,0,0]=4 11500 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [1,0,0,1,0,0|1,0,1]=4 11501 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [0,0,0,1,1,0|1,0,1]=4 11502 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [0,0,0,1,1,0|1,0,0]=3 11503 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [0,0,0,1,1,0|0,1,1]=4 11504 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [0,0,0,1,1,0|2,0,0]=4 11505 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [0,0,0,1,1,0|1,1,0]=4 11506 B13R2.10 O=C1C=C(CC1)c2ccccc2 271570a_100010737933_100000210277 [0,0,0,1,0,1|2,0,0]=4 11507 B13R2.10 Oc1coc(n1)c2ccccc2 271570a_203496583355_100010163736 [0,0,0,1,0,1|1,0,1]=4 11508 B13R2.10 Oc1noc(n1)c2ccccc2 271570a_203496583355_200000701163 [0,0,0,1,0,1|2,0,0]=4 11509 B13R2.31 O=C1CC(C1)Sc2ccccc2 62a_100009894365_100000041952 [0,0,0,1,0,1|1,1,0]=4 11510 B13R2.72 CC(=O)C1C=Cc2c1cccc2 1458a_200009832160_200000210301 [0,0,0,1,0,1|2,0,0]=4 11511 B13R2.72 CC(=O)C1CCc2c1cccc2 1458a_100000750891_200000210301 [0,0,0,1,0,1|2,0,0]=4 11512 B13R2.72 [13CH3]C(=O)C1C=Cc2c1cccc2 1458a_200009832160_200025704644 [0,0,0,1,0,1|2,0,0]=4 11513 B13R2.72 [13CH3]C(=O)C1CCc2c1cccc2 1458a_100000750891_200025704644 [0,0,0,1,0,1|2,0,0]=4 11514 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [0,0,0,1,0,1|2,0,0]=4 11515 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [0,0,0,1,0,1|2,0,0]=4 11516 B13R2.2382 c1ccc(cc1)COCC2CO2 34a_100000210790_102125554688 [0,0,0,1,0,1|1,0,1]=4 11517 B13R2.2382 c1ccc(cc1)COCC2CO2 7a_100000210790_102125554688 [0,0,0,1,0,1|1,0,1]=4 11518 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 34a_100000757423_100015291786 [0,0,0,1,0,1|1,0,1]=4 11519 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 7a_100000210790_100000745022 [0,0,0,1,0,1|1,0,1]=4 11520 B13R2.2382 c1ccc(cc1)OCCC2CO2 34a_100000210340_100000732470 [0,0,0,1,0,1|1,0,1]=4 11521 B13R2.2382 c1ccc(cc1)OCCC2CO2 7a_100000210340_100000732470 [0,0,0,1,0,1|1,0,1]=4 11522 B13R2.147 O=C1CC(C1)c2ccc(cc2)O 271570a_203496583355_100000741321 [0,1,0,1,0,0|2,0,0]=4 11523 B13R2.155 O=C1CCc2ccc(cc2C1)O 271570a_203496583355_100010138410 [0,1,0,1,0,0|2,0,0]=4 11524 B13R2.155 O=C1CCc2ccc(cc2N1)O 271570a_203496583355_100000763451 [0,1,0,1,0,0|2,0,0]=4 11525 B13R2.155 O=C1COc2ccc(cc2N1)O 271570a_203496583355_100000244627 [0,1,0,1,0,0|1,0,0]=3 11526 B13R2.155 O=C1COc2ccc(nc2N1)O 271570a_203496583355_100010235088 [0,1,0,1,0,0|2,0,0]=4 11527 B13R2.155 O=C1COc2ncc(cc2N1)O 271570a_203496583355_100000699640 [0,1,0,1,0,0|2,0,0]=4 11528 B13R2.155 O=C1CSc2ccc(cc2N1)O 271570a_203496583355_100012361575 [0,1,0,1,0,0|1,1,0]=4 11529 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [0,1,0,1,0,0|1,0,1]=4 11530 B13R2.527 Brc1ccc(cc1)OCC2CO2 34a_100000185759_102125554688 [0,1,0,1,0,0|1,0,1]=4 11531 B13R2.527 Brc1ccc(cc1)OCC2CO2 7a_100000185759_102125554688 [0,1,0,1,0,0|1,0,1]=4 11532 B13R2.527 Brc1ccc(cc1)OC[C@@H]2CO2 7a_100000185759_100000745022 [0,1,0,1,0,0|1,0,1]=4 11533 B13R2.527 Cc1ccc(cc1)OCC2CO2 34a_100000210336_102125554688 [0,1,0,1,0,0|1,0,1]=4 11534 B13R2.527 Cc1ccc(cc1)OCC2CO2 7a_100000210336_102125554688 [0,1,0,1,0,0|1,0,1]=4 11535 B13R2.527 Cc1ccc(cc1)OC[C@@H]2CO2 7a_100000210336_100000745022 [0,1,0,1,0,0|1,0,1]=4 11536 B13R2.527 Clc1ccc(cc1)OCC2CO2 34a_100000210216_102125554688 [0,1,0,1,0,0|1,0,1]=4 11537 B13R2.527 Clc1ccc(cc1)OCC2CO2 7a_100000210216_102125554688 [0,1,0,1,0,0|1,0,1]=4 11538 B13R2.527 Clc1ccc(cc1)OC[C@@H]2CO2 7a_100000210216_100000745022 [0,1,0,1,0,0|1,0,1]=4 11539 B13R2.527 Fc1ccc(cc1)OCC2CO2 34a_100000210339_102125554688 [0,1,0,1,0,0|1,0,1]=4 11540 B13R2.527 Ic1ccc(cc1)OCC2CO2 34a_100000212066_102125554688 [0,1,0,1,0,0|1,0,1]=4 11541 B13R2.527 Ic1ccc(cc1)OCC2CO2 7a_100000212066_102125554688 [0,1,0,1,0,0|1,0,1]=4 11542 B13R2.527 Ic1ccc(cc1)OC[C@@H]2CO2 7a_100000212066_100000745022 [0,1,0,1,0,0|1,0,1]=4 11543 B13R2.527 Nc1ccc(cc1)OCC2CO2 34a_100000185829_102125554688 [0,1,0,1,0,0|1,0,1]=4 11544 B13R2.27 O=C1CCC1Nc2ccccc2 34a_100000106764_100009892977 [0,1,0,1,0,0|2,0,0]=4 11545 B13R2.27 O=C1CCC1Oc2ccccc2 34a_100000210340_100009892977 [0,1,0,1,0,0|1,0,0]=3 11546 B13R2.27 O=C1CCC1Oc2ccccc2 7a_100000210340_100009892977 [0,1,0,1,0,0|1,0,0]=3 11547 B13R2.27 O=C1CCC1Oc2cccnc2 34a_100000210849_100009892977 [0,1,0,1,0,0|2,0,0]=4 11548 B13R2.27 O=C1CCC1Oc2cccnc2 7a_100000210849_100009892977 [0,1,0,1,0,0|2,0,0]=4 11549 B13R2.27 O=C1CCC1Oc2ccncc2 34a_100000212176_100009892977 [0,1,0,1,0,0|2,0,0]=4 11550 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100000719477_100009892977 [0,1,0,1,0,0|1,1,0]=4 11551 B13R2.27 O=C1CCC1Sc2ccccc2 62a_100009892977_100000041952 [0,1,0,1,0,0|1,1,0]=4 11552 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [0,1,0,1,0,0|1,0,1]=4 11553 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [0,1,0,1,0,0|0,0,1]=3 11554 B13R2.2383 c1ccc(cc1)OCC2CCO2 34a_100000210340_100000103362 [0,1,0,1,0,0|1,0,1]=4 11555 B13R2.2383 c1ccc(cc1)OCC2CCO2 7a_100000210340_100000103362 [0,1,0,1,0,0|1,0,1]=4 11556 B13R2.2383 c1ccc(cc1)OCC2COC2 34a_100000210340_100010264016 [0,1,0,1,0,0|1,0,1]=4 11557 B13R2.2383 c1ccc(cc1)OCC2COC2 7a_100000210340_100010264016 [0,1,0,1,0,0|1,0,1]=4 11558 B13R2.3203 CC1(CO1)COc2ccccc2 34a_100000210340_100000760498 [0,1,0,1,0,0|1,0,1]=4 11559 B13R2.15272 CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210202 [0,1,0,1,0,0|2,0,0]=4 11560 B13R2.15272 CNC(=O)C1Cc2c1cccc2 11a_106832991635_200000238571 [0,1,0,1,0,0|2,0,0]=4 11561 B13R2.15272 CNC(=O)C1Cc2c1cccc2 1626a_100102657272_200000238571 [0,1,0,1,0,0|2,0,0]=4 11562 B13R2.15272 CNC(=O)C1Cc2c1cccc2 240690a_100102657272_200000238571 [0,1,0,1,0,0|2,0,0]=4 11563 B13R2.15272 CNC(=O)C1Cc2c1cccc2 527a_100102657272_200000238571 [0,1,0,1,0,0|2,0,0]=4 11564 B13R2.15272 O=C(CF)C1Cc2c1cccc2 1458a_200000238571_100015361967 [0,1,0,1,0,0|2,0,0]=4 11565 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,1,0,1,0,0|1,0,1]=4 11566 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [0,1,0,1,0,0|2,0,0]=4 11567 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [0,1,0,1,0,0|2,0,0]=4 11568 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,1,0,1,0,0|1,0,0]=3 11569 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [0,1,0,1,0,0|1,1,0]=4 11570 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [0,1,0,1,0,0|2,0,0]=4 11571 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,1,0,1,0,0|1,0,0]=3 11572 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [0,1,0,1,0,0|1,1,0]=4 11573 B13R2.3587 Brc1ccccc1OCC2CO2 34a_100000181306_102125554688 [0,1,0,1,0,0|1,0,1]=4 11574 B13R2.3587 Brc1ccccc1OCC2CO2 7a_100000181306_102125554688 [0,1,0,1,0,0|1,0,1]=4 11575 B13R2.3587 Brc1ccccc1OC[C@@H]2CO2 7a_100000181306_100000745022 [0,1,0,1,0,0|1,0,1]=4 11576 B13R2.3587 Cc1ccccc1OCC2CO2 34a_100000210338_102125554688 [0,1,0,1,0,0|1,0,1]=4 11577 B13R2.3587 Cc1ccccc1OCC2CO2 7a_100000210338_102125554688 [0,1,0,1,0,0|1,0,1]=4 11578 B13R2.3587 Cc1ccccc1OC[C@@H]2CO2 7a_100000210338_100000745022 [0,1,0,1,0,0|1,0,1]=4 11579 B13R2.3587 Clc1ccccc1OCC2CO2 34a_100000210172_102125554688 [0,1,0,1,0,0|1,0,1]=4 11580 B13R2.3587 Clc1ccccc1OCC2CO2 7a_100000210172_102125554688 [0,1,0,1,0,0|1,0,1]=4 11581 B13R2.3587 Clc1ccccc1OC[C@@H]2CO2 7a_100000210172_100000745022 [0,1,0,1,0,0|1,0,1]=4 11582 B13R2.3587 Fc1ccccc1OCC2CO2 34a_100000210171_102125554688 [0,1,0,1,0,0|1,0,1]=4 11583 B13R2.3587 Fc1ccccc1OCC2CO2 7a_100000210171_102125554688 [0,1,0,1,0,0|1,0,1]=4 11584 B13R2.3587 Fc1ccccc1OC[C@@H]2CO2 7a_100000210171_100000745022 [0,1,0,1,0,0|1,0,1]=4 11585 B13R2.3587 Ic1ccccc1OCC2CO2 34a_100000739446_102125554688 [0,1,0,1,0,0|1,0,1]=4 11586 B13R2.3587 Ic1ccccc1OCC2CO2 7a_100000739446_102125554688 [0,1,0,1,0,0|1,0,1]=4 11587 B13R2.3587 Ic1ccccc1OC[C@@H]2CO2 7a_100000739446_100000745022 [0,1,0,1,0,0|1,0,1]=4 11588 B13R2.3587 Nc1ccccc1OCC2CO2 34a_100000185747_102125554688 [0,1,0,1,0,0|1,0,1]=4 11589 B13R2.3587 Nc1ccccc1OCC2CO2 7a_100000185747_102125554688 [0,1,0,1,0,0|1,0,1]=4 11590 B13R2.3587 Nc1ccccc1OC[C@@H]2CO2 7a_100000185747_100000745022 [0,1,0,1,0,0|1,0,1]=4 11591 B13R2.5179 O=C1CCc2c(cccc2C1)O 271570a_203496583355_100010138409 [0,1,0,1,0,0|2,0,0]=4 11592 B13R2.5179 O=C1CCc2c(cccc2N1)O 271570a_203496583355_100010232564 [0,1,0,1,0,0|2,0,0]=4 11593 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [0,1,0,1,0,0|1,0,0]=3 11594 B13R2.5179 O=C1COc2c(cccc2N1)O 271570a_203496583355_100012355675 [0,1,0,1,0,0|1,0,0]=3 11595 B13R2.5179 O=C1COc2c(ccnc2O)N1 271570a_203496583355_100009863569 [0,1,0,1,0,0|2,0,0]=4 11596 B13R2.162 O=C1CCc2cccc(c2C1)O 271570a_203496583355_100010006498 [0,1,0,1,0,0|2,0,0]=4 11597 B13R2.3683 O=C1CCc2cc(ccc2C1)O 271570a_203496583355_100000753102 [0,1,0,1,0,0|2,0,0]=4 11598 B13R2.3683 O=C1CCc2cc(ccc2N1)O 271570a_203496583355_100000754843 [0,1,0,1,0,0|2,0,0]=4 11599 B13R2.3683 O=C1CCc2cc(ccc2O1)O 271570a_203496583355_100010179853 [0,1,0,1,0,0|1,0,0]=3 11600 B13R2.3683 O=C1CNc2cc(ccc2N1)O 271570a_203496583355_100000693460 [0,1,0,1,0,0|2,0,0]=4 11601 B13R2.3683 O=C1COc2cc(ccc2N1)O 271570a_203496583355_100000745508 [0,1,0,1,0,0|1,0,0]=3 11602 B13R2.3683 O=C1COc2cc(cnc2N1)O 271570a_203496583355_100010209494 [0,1,0,1,0,0|2,0,0]=4 11603 B13R2.3683 O=C1COc2nc(ccc2N1)O 271570a_203496583355_100010201792 [0,1,0,1,0,0|2,0,0]=4 11604 B13R2.3683 O=C1CSc2cc(ccc2N1)O 271570a_203496583355_100011830382 [0,1,0,1,0,0|1,1,0]=4 11605 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [0,1,0,1,0,0|1,0,1]=4 11606 B13R2.5331 Brc1cccc(c1)OCC2CO2 34a_100000210342_102125554688 [0,1,0,1,0,0|1,0,1]=4 11607 B13R2.5331 Brc1cccc(c1)OCC2CO2 7a_100000210342_102125554688 [0,1,0,1,0,0|1,0,1]=4 11608 B13R2.5331 Brc1cccc(c1)OC[C@@H]2CO2 7a_100000210342_100000745022 [0,1,0,1,0,0|1,0,1]=4 11609 B13R2.5331 Cc1cccc(c1)OCC2CO2 34a_100000210337_102125554688 [0,1,0,1,0,0|1,0,1]=4 11610 B13R2.5331 Cc1cccc(c1)OCC2CO2 7a_100000210337_102125554688 [0,1,0,1,0,0|1,0,1]=4 11611 B13R2.5331 Cc1cccc(c1)OC[C@@H]2CO2 7a_100000210337_100000745022 [0,1,0,1,0,0|1,0,1]=4 11612 B13R2.5331 Clc1cccc(c1)OCC2CO2 34a_100000210295_102125554688 [0,1,0,1,0,0|1,0,1]=4 11613 B13R2.5331 Clc1cccc(c1)OCC2CO2 7a_100000210295_102125554688 [0,1,0,1,0,0|1,0,1]=4 11614 B13R2.5331 Clc1cccc(c1)OC[C@@H]2CO2 7a_100000210295_100000745022 [0,1,0,1,0,0|1,0,1]=4 11615 B13R2.5331 Fc1cccc(c1)OCC2CO2 34a_100000210426_102125554688 [0,1,0,1,0,0|1,0,1]=4 11616 B13R2.5331 Fc1cccc(c1)OCC2CO2 7a_100000210426_102125554688 [0,1,0,1,0,0|1,0,1]=4 11617 B13R2.5331 Fc1cccc(c1)OC[C@@H]2CO2 7a_100000210426_100000745022 [0,1,0,1,0,0|1,0,1]=4 11618 B13R2.5331 Ic1cccc(c1)OCC2CO2 34a_100000211634_102125554688 [0,1,0,1,0,0|1,0,1]=4 11619 B13R2.5331 Ic1cccc(c1)OCC2CO2 7a_100000211634_102125554688 [0,1,0,1,0,0|1,0,1]=4 11620 B13R2.5331 Ic1cccc(c1)OC[C@@H]2CO2 7a_100000211634_100000745022 [0,1,0,1,0,0|1,0,1]=4 11621 B13R2.5331 Nc1cccc(c1)OCC2CO2 34a_100000210217_102125554688 [0,1,0,1,0,0|1,0,1]=4 11622 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [0,0,1,0,1,0|2,0,0]=4 11623 B9R0.4 C=CC=CC(=O)CC(=O)[O-] 1458a_100016291481_100020667443 [0,0,1,0,1,0|1,0,1]=4 11624 B9R1.12 C=CCOc1ccsc1 34a_100000106738_100015514636 [1,0,0,0,1,0|2,0,0]=4 11625 B9R1.12 C=CCOc1ccsc1 7a_100000106738_100015514636 [1,0,0,0,1,0|2,0,0]=4 11626 B9R1.12 O=CCOc1ccsc1 34a_100000106738_200009817547 [1,0,0,0,1,0|1,0,0]=3 11627 B9R1.12 O=CCOc1ccsc1 7a_100000106738_200015260668 [1,0,0,0,1,0|1,0,0]=3 11628 B9R1.12 O=CCSc1ccco1 62a_100009814098_200015260668 [1,0,0,0,1,0|1,1,0]=4 11629 B9R1.12 O=CCSc1ccco1 62a_200015260668_100009814098 [1,0,0,0,1,0|1,1,0]=4 11630 B9R1.12 O=CCSc1cccs1 62a_100011215356_200015260668 [1,0,0,0,1,0|1,1,0]=4 11631 B9R1.12 O=CCSc1cccs1 62a_200015260668_100011215356 [1,0,0,0,1,0|1,1,0]=4 11632 B9R1.12 O=CCSc1ccoc1 62a_100011215275_200015260668 [1,0,0,0,1,0|1,1,0]=4 11633 B9R1.12 O=CCSc1ccoc1 62a_200015260668_100011215275 [1,0,0,0,1,0|1,1,0]=4 11634 B9R1.12 O=CCSc1ccsc1 62a_100000738268_200015260668 [1,0,0,0,1,0|1,1,0]=4 11635 B9R1.12 O=CCSc1ccsc1 62a_200015260668_100000738268 [1,0,0,0,1,0|1,1,0]=4 11636 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [1,0,0,0,1,0|1,0,1]=4 11637 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [1,0,0,0,1,0|1,0,1]=4 11638 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,2,0|2,0,0]=4 11639 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,2,0|1,0,0]=3 11640 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,2,0|1,0,0]=3 11641 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,2,0|2,0,0]=4 11642 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,2,0|2,0,0]=4 11643 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,2,0|2,0,0]=4 11644 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,2,0|2,0,0]=4 11645 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,2,0|2,0,0]=4 11646 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,2,0|2,0,0]=4 11647 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,0,0,2,0|2,0,0]=4 11648 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,2,0|2,0,0]=4 11649 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,2,0|2,0,0]=4 11650 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,2,0|2,0,0]=4 11651 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,2,0|2,0,0]=4 11652 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,2,0|2,0,0]=4 11653 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,0,0,2,0|2,0,0]=4 11654 B13R1.337 C=C(Br)CCOCc1ccccc1 34a_100009813270_100015291786 [0,0,0,0,0,2|2,0,0]=4 11655 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000210790_100000730704 [0,0,0,0,0,2|2,0,0]=4 11656 B13R1.337 C=C(C)CCOCc1ccccc1 34a_100000764851_100015291786 [0,0,0,0,0,2|2,0,0]=4 11657 B13R1.337 C=C(C)CCOCc1ccccc1 7a_100000210790_100000730704 [0,0,0,0,0,2|2,0,0]=4 11658 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210245_100000765856 [0,0,0,0,0,2|2,0,0]=4 11659 B13R1.337 C=C(C)COCCc1ccccc1 34a_100000210268_100000748629 [0,0,0,0,0,2|2,0,0]=4 11660 B13R1.337 C=C(C)COCCc1ccccc1 7a_100000210268_100000748629 [0,0,0,0,0,2|2,0,0]=4 11661 B13R1.337 C=C(F)COCCc1ccccc1 34a_100000210268_100009893438 [0,0,0,0,0,2|2,0,0]=4 11662 B13R1.337 C=C(F)COCCc1ccccc1 34a_200010262243_100000765856 [0,0,0,0,0,2|2,0,0]=4 11663 B13R1.337 C=C(F)COCCc1ccccc1 7a_100000210268_100000042424 [0,0,0,0,0,2|2,0,0]=4 11664 B13R1.337 CC(=CCCOc1ccccc1)C 34a_100000210340_100011217483 [0,0,0,0,0,2|2,0,0]=4 11665 B13R1.337 CC(=CCCOc1ccccc1)C 7a_100000210340_100011217483 [0,0,0,0,0,2|2,0,0]=4 11666 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000210790_100000761012 [0,0,0,0,0,2|2,0,0]=4 11667 B13R1.337 CC(=CCOCc1ccccc1)C 34a_100000753907_100015291786 [0,0,0,0,0,2|2,0,0]=4 11668 B13R1.337 CC(=CCOCc1ccccc1)C 7a_100000210790_100000761012 [0,0,0,0,0,2|2,0,0]=4 11669 B13R1.337 CC(=O)C=CCCc1ccccc1 1458a_100016484021_200000210301 [0,0,0,0,0,2|2,0,0]=4 11670 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100000070787_100000701786 [0,0,0,0,0,2|2,0,0]=4 11671 B13R1.337 CC(=O)CCCCc1ccccc1 1458a_100011215911_200000210301 [0,0,0,0,0,2|2,0,0]=4 11672 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [0,0,0,0,0,2|2,0,0]=4 11673 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000070787_100000199009 [0,0,0,0,0,2|1,0,0]=3 11674 B13R1.337 CC(=O)CCCOc1ccccc1 1458a_100000212059_200000210301 [0,0,0,0,0,2|1,0,0]=3 11675 B13R1.337 CC(=O)CCCOc1ccccc1 34a_100000210340_100000685027 [0,0,0,0,0,2|1,0,0]=3 11676 B13R1.337 CC(=O)CCCOc1ccccc1 7a_100000210340_100011215641 [0,0,0,0,0,2|1,0,0]=3 11677 B13R1.337 CC(=O)CCCOc1cccnc1 34a_100000210849_100000685027 [0,0,0,0,0,2|2,0,0]=4 11678 B13R1.337 CC(=O)CCCOc1cccnc1 7a_100000210849_100011215641 [0,0,0,0,0,2|2,0,0]=4 11679 B13R1.337 CC(=O)CCCOc1ccncc1 34a_100000212176_100000685027 [0,0,0,0,0,2|2,0,0]=4 11680 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000070787_200011203293 [0,0,0,0,0,2|1,1,0]=4 11681 B13R1.337 CC(=O)CCCSc1ccccc1 1458a_100000182835_200000210301 [0,0,0,0,0,2|1,1,0]=4 11682 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100000719477_100011215641 [0,0,0,0,0,2|1,1,0]=4 11683 B13R1.337 CC(=O)CCCSc1ccccc1 62a_100011215641_100000041952 [0,0,0,0,0,2|1,1,0]=4 11684 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000070787_100000234347 [0,0,0,0,0,2|1,0,0]=3 11685 B13R1.337 CC(=O)CCOCc1ccccc1 1458a_100000743319_200000210301 [0,0,0,0,0,2|1,0,0]=3 11686 B13R1.337 CC(=O)CCOCc1ccccc1 34a_100000759926_100015291786 [0,0,0,0,0,2|1,0,0]=3 11687 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000210790_100000053229 [0,0,0,0,0,2|1,0,0]=3 11688 B13R1.337 CC(=O)CCOCc1ccccc1 7a_100000759926_100000211182 [0,0,0,0,0,2|1,0,0]=3 11689 B13R1.337 CC(=O)CCOCc1ccccn1 34a_100000759926_100000721315 [0,0,0,0,0,2|2,0,0]=4 11690 B13R1.337 CC(=O)CCOCc1ccccn1 7a_100000759926_100000721315 [0,0,0,0,0,2|2,0,0]=4 11691 B13R1.337 CC(=O)CCOCc1cccnc1 34a_100000759926_100000733263 [0,0,0,0,0,2|2,0,0]=4 11692 B13R1.337 CC(=O)CCOCc1cccnc1 7a_100000759926_100000741622 [0,0,0,0,0,2|2,0,0]=4 11693 B13R1.337 CC(=O)CCOCc1ccncc1 7a_100000759926_100015193705 [0,0,0,0,0,2|2,0,0]=4 11694 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000070787_200011297719 [0,0,0,0,0,2|1,1,0]=4 11695 B13R1.337 CC(=O)CCSCc1ccccc1 1458a_100000173759_200000210301 [0,0,0,0,0,2|1,1,0]=4 11696 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000053229_100015291786 [0,0,0,0,0,2|1,1,0]=4 11697 B13R1.337 CC(=O)CCSCc1ccccc1 62a_100000211182_100000053229 [0,0,0,0,0,2|1,1,0]=4 11698 B13R1.337 CC(=O)COCCc1ccccc1 34a_100000211253_100000765856 [0,0,0,0,0,2|1,0,0]=3 11699 B13R1.337 CC(=O)NC/C=C/c1ccccc1 11a_100020603302_100015343762 [0,0,0,0,0,2|2,0,0]=4 11700 B13R1.337 CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100015343762 [0,0,0,0,0,2|2,0,0]=4 11701 B13R1.337 CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100015343762 [0,0,0,0,0,2|2,0,0]=4 11702 B13R1.337 CC(=O)NC/C=C/c1ccccc1 527a_100020603302_100103153847 [0,0,0,0,0,2|2,0,0]=4 11703 B13R1.337 CC(=O)NCC#Cc1ccccc1 11a_100000735379_100015343762 [0,0,0,0,0,2|2,0,0]=4 11704 B13R1.337 CC(=O)NCC#Cc1ccccc1 1626a_100000735379_100015343762 [0,0,0,0,0,2|2,0,0]=4 11705 B13R1.337 CC(=O)NCC#Cc1ccccc1 240690a_100000735379_100015343762 [0,0,0,0,0,2|2,0,0]=4 11706 B13R1.337 CC(=O)NCC#Cc1ccccc1 527a_100000735379_100103153847 [0,0,0,0,0,2|2,0,0]=4 11707 B13R1.337 CC(=O)NCCCc1ccccc1 11a_100000211184_100015343762 [0,0,0,0,0,2|2,0,0]=4 11708 B13R1.337 CC(=O)NCCCc1ccccc1 1626a_100000211184_100015343762 [0,0,0,0,0,2|2,0,0]=4 11709 B13R1.337 CC(=O)NCCCc1ccccc1 240690a_100000211184_100015343762 [0,0,0,0,0,2|2,0,0]=4 11710 B13R1.337 CC(=O)NCCCc1ccccc1 527a_100000211184_100103153847 [0,0,0,0,0,2|2,0,0]=4 11711 B13R1.337 CC(=O)NCCOc1ccccc1 11a_100000174943_100015343762 [0,0,0,0,0,2|1,0,0]=3 11712 B13R1.337 CC(=O)NCCOc1ccccc1 1626a_100000174943_100015343762 [0,0,0,0,0,2|1,0,0]=3 11713 B13R1.337 CC(=O)NCCOc1ccccc1 240690a_100000174943_100015343762 [0,0,0,0,0,2|1,0,0]=3 11714 B13R1.337 CC(=O)NCCOc1ccccc1 527a_100000174943_100103153847 [0,0,0,0,0,2|1,0,0]=3 11715 B13R1.337 CC(=O)NCCOc1ccccc1 7a_100000210340_100000189650 [0,0,0,0,0,2|1,0,0]=3 11716 B13R1.337 CC(=O)NCCOc1ccccn1 11a_106741647558_100015343762 [0,0,0,0,0,2|2,0,0]=4 11717 B13R1.337 CC(=O)NCCOc1ccccn1 1626a_106741647558_100015343762 [0,0,0,0,0,2|2,0,0]=4 11718 B13R1.337 CC(=O)NCCOc1ccccn1 240690a_106741647558_100015343762 [0,0,0,0,0,2|2,0,0]=4 11719 B13R1.337 CC(=O)NCCOc1ccccn1 527a_106741647558_100103153847 [0,0,0,0,0,2|2,0,0]=4 11720 B13R1.337 CC(=O)NCCOc1cccnc1 11a_100000754688_100015343762 [0,0,0,0,0,2|2,0,0]=4 11721 B13R1.337 CC(=O)NCCOc1cccnc1 240690a_100000754688_100015343762 [0,0,0,0,0,2|2,0,0]=4 11722 B13R1.337 CC(=O)NCCOc1cccnc1 527a_100000754688_100103153847 [0,0,0,0,0,2|2,0,0]=4 11723 B13R1.337 CC(=O)NCCOc1cccnc1 7a_100000210849_100000189650 [0,0,0,0,0,2|2,0,0]=4 11724 B13R1.337 CC(=O)NCCOc1ccncc1 11a_100025717301_100015343762 [0,0,0,0,0,2|2,0,0]=4 11725 B13R1.337 CC(=O)NCCOc1ccncc1 240690a_100025717301_100015343762 [0,0,0,0,0,2|2,0,0]=4 11726 B13R1.337 CC(=O)NCCOc1ccncc1 527a_100025717301_100103153847 [0,0,0,0,0,2|2,0,0]=4 11727 B13R1.337 CC(=O)NCCSc1ccccc1 240690a_100000189519_100015343762 [0,0,0,0,0,2|1,1,0]=4 11728 B13R1.337 CC(=O)NCCSc1ccccc1 527a_100000189519_100103153847 [0,0,0,0,0,2|1,1,0]=4 11729 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000189650_100000041952 [0,0,0,0,0,2|1,1,0]=4 11730 B13R1.337 CC(=O)NCCSc1ccccc1 62a_100000719477_100000189650 [0,0,0,0,0,2|1,1,0]=4 11731 B13R1.337 CC(=O)NNCCc1ccccc1 22a_100000740470_100000070787 [0,0,0,0,0,2|2,0,0]=4 11732 B13R1.337 CC(=O)OCC=Cc1ccccc1 271570a_200000047263_100000210277 [0,0,0,0,0,2|2,0,0]=4 11733 B13R1.337 CC(=O)OCCNc1ccccc1 34a_100000106764_100009814007 [0,0,0,0,0,2|2,0,0]=4 11734 B13R1.337 CC(=O)OCCOc1ccccc1 34a_100000210340_100009814007 [0,0,0,0,0,2|1,0,0]=3 11735 B13R1.337 CC(=O)OCCOc1ccccc1 7a_100000210340_100009814007 [0,0,0,0,0,2|1,0,0]=3 11736 B13R1.337 CC(=O)OCCOc1cccnc1 34a_100000210849_100009814007 [0,0,0,0,0,2|2,0,0]=4 11737 B13R1.337 CC(=O)OCCOc1cccnc1 7a_100000210849_100009814007 [0,0,0,0,0,2|2,0,0]=4 11738 B13R1.337 CC(=O)OCCOc1ccncc1 34a_100000212176_100009814007 [0,0,0,0,0,2|2,0,0]=4 11739 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100000719477_100009814007 [0,0,0,0,0,2|1,1,0]=4 11740 B13R1.337 CC(=O)OCCSc1ccccc1 62a_100009814007_100000041952 [0,0,0,0,0,2|1,1,0]=4 11741 B13R1.337 CC(=O)OCNCc1ccccc1 34a_100015324214_100009813279 [0,0,0,0,0,2|2,0,0]=4 11742 B13R1.337 CC(=O)OCOCc1ccccc1 34a_100000210790_100009813279 [0,0,0,0,0,2|1,0,0]=3 11743 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000076356_100015291786 [0,0,0,0,0,2|1,1,0]=4 11744 B13R1.337 CC(=O)OCSCc1ccccc1 62a_100000211182_100000076356 [0,0,0,0,0,2|1,1,0]=4 11745 B13R1.337 CC(O)CCCOc1ccccc1 34a_100000210340_200000718107 [0,0,0,0,0,2|1,0,1]=4 11746 B13R1.337 CC(O)CCCOc1ccccc1 7a_100000210340_200000718107 [0,0,0,0,0,2|1,0,1]=4 11747 B13R1.337 CC(O)CCOCc1ccccc1 34a_100000210790_100012276601 [0,0,0,0,0,2|1,0,1]=4 11748 B13R1.337 CC(O)CCOCc1ccccc1 7a_100000210790_100012276601 [0,0,0,0,0,2|1,0,1]=4 11749 B13R1.337 CC(O)COCCc1ccccc1 34a_100000210268_100011218427 [0,0,0,0,0,2|1,0,1]=4 11750 B13R1.337 CC(O)COCCc1ccccc1 7a_100000210268_100011218427 [0,0,0,0,0,2|1,0,1]=4 11751 B13R1.337 C[C@@H](O)COCCc1ccccc1 34a_100000210268_100009817552 [0,0,0,0,0,2|1,0,1]=4 11752 B13R1.337 C[C@@H](O)COCCc1ccccc1 7a_100000210268_100009817552 [0,0,0,0,0,2|1,0,1]=4 11753 B13R1.337 FC(=CCCOc1ccccc1)F 34a_100000210340_200009816681 [0,0,0,0,0,2|2,0,0]=4 11754 B13R1.337 FC(=CCCOc1ccccc1)F 7a_100000210340_200009816681 [0,0,0,0,0,2|2,0,0]=4 11755 B13R1.337 NC(=O)CCCNc1ccccc1 34a_100000106764_100102525003 [0,0,0,0,0,2|2,0,0]=4 11756 B13R1.337 NC(=O)CCCOc1ccccc1 34a_100000210340_100102525003 [0,0,0,0,0,2|1,0,0]=3 11757 B13R1.337 NC(=O)CCCOc1ccccc1 7a_100000210340_100102525003 [0,0,0,0,0,2|1,0,0]=3 11758 B13R1.337 NC(=O)CCCOc1cccnc1 34a_100000210849_100102525003 [0,0,0,0,0,2|2,0,0]=4 11759 B13R1.337 NC(=O)CCCOc1cccnc1 7a_100000210849_100102525003 [0,0,0,0,0,2|2,0,0]=4 11760 B13R1.337 NC(=O)CCCOc1ccncc1 34a_100000212176_100102525003 [0,0,0,0,0,2|2,0,0]=4 11761 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100000719477_100102525003 [0,0,0,0,0,2|1,1,0]=4 11762 B13R1.337 NC(=O)CCCSc1ccccc1 62a_100102525003_100000041952 [0,0,0,0,0,2|1,1,0]=4 11763 B13R1.337 NC(=O)CCNCc1ccccc1 207a_100000740010_100015611070 [0,0,0,0,0,2|2,0,0]=4 11764 B13R1.337 NC(=O)CCNCc1ccccc1 2230a_100015324214_100000744528 [0,0,0,0,0,2|2,0,0]=4 11765 B13R1.337 NC(=O)CCNCc1ccccc1 34a_100015324214_100000731001 [0,0,0,0,0,2|2,0,0]=4 11766 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000210790_100000731001 [0,0,0,0,0,2|1,0,0]=3 11767 B13R1.337 NC(=O)CCOCc1ccccc1 34a_100000757172_100015291786 [0,0,0,0,0,2|1,0,0]=3 11768 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000210790_100000744528 [0,0,0,0,0,2|1,0,0]=3 11769 B13R1.337 NC(=O)CCOCc1ccccc1 7a_100000757172_100000211182 [0,0,0,0,0,2|1,0,0]=3 11770 B13R1.337 NC(=O)CCOCc1ccccn1 34a_100000757172_100000721315 [0,0,0,0,0,2|2,0,0]=4 11771 B13R1.337 NC(=O)CCOCc1ccccn1 7a_100000757172_100000721315 [0,0,0,0,0,2|2,0,0]=4 11772 B13R1.337 NC(=O)CCOCc1cccnc1 34a_100000757172_100000733263 [0,0,0,0,0,2|2,0,0]=4 11773 B13R1.337 NC(=O)CCOCc1cccnc1 7a_100000757172_100000741622 [0,0,0,0,0,2|2,0,0]=4 11774 B13R1.337 NC(=O)CCOCc1ccncc1 7a_100000757172_100015193705 [0,0,0,0,0,2|2,0,0]=4 11775 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000211182_100000744528 [0,0,0,0,0,2|1,1,0]=4 11776 B13R1.337 NC(=O)CCSCc1ccccc1 62a_100000744528_100015291786 [0,0,0,0,0,2|1,1,0]=4 11777 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000106460_100000747473 [0,0,0,0,0,2|2,0,0]=4 11778 B13R1.337 NC(=O)CNCCc1ccccc1 2230a_100000711301_100000765856 [0,0,0,0,0,2|2,0,0]=4 11779 B13R1.337 NC(=O)CNCCc1ccccc1 34a_100000106460_100000187820 [0,0,0,0,0,2|2,0,0]=4 11780 B13R1.337 NC(=O)CNCSc1ccccc1 2230a_100000711301_100011218342 [0,0,0,0,0,2|1,1,0]=4 11781 B13R1.337 NC(=O)COCCc1ccccc1 34a_100000210268_100000187820 [0,0,0,0,0,2|1,0,0]=3 11782 B13R1.337 NC(=O)COCCc1ccccc1 7a_100000210268_100000187820 [0,0,0,0,0,2|1,0,0]=3 11783 B13R1.337 NC(=O)COCCc1ccccn1 34a_100000210271_100000187820 [0,0,0,0,0,2|2,0,0]=4 11784 B13R1.337 NC(=O)COCCc1cccnc1 34a_100011217484_100000187820 [0,0,0,0,0,2|2,0,0]=4 11785 B13R1.337 NC(=O)COCCc1ccncc1 34a_100011216225_100000187820 [0,0,0,0,0,2|2,0,0]=4 11786 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000747473_100011218657 [0,0,0,0,0,2|1,1,0]=4 11787 B13R1.337 NC(=O)CSCCc1ccccc1 62a_100000765856_100000747473 [0,0,0,0,0,2|1,1,0]=4 11788 B13R1.337 NC(=O)CSCSc1ccccc1 62a_100000747473_100011218342 [0,0,0,0,0,2|1,1,0]=4 11789 B13R1.337 NC(=O)CSCSc1ccccc1 62a_100011218342_100000747473 [0,0,0,0,0,2|1,1,0]=4 11790 B13R1.337 NC(=O)NCCOc1ccccc1 7a_100000210340_200000034859 [0,0,0,0,0,2|1,0,0]=3 11791 B13R1.337 NC(=O)NCCOc1cccnc1 7a_100000210849_200000034859 [0,0,0,0,0,2|2,0,0]=4 11792 B13R1.337 NC(=O)NCCSc1ccccc1 62a_100000719477_200000034859 [0,0,0,0,0,2|1,1,0]=4 11793 B13R1.337 NC(=O)NCCSc1ccccc1 62a_200000034859_100000041952 [0,0,0,0,0,2|1,1,0]=4 11794 B13R1.337 NC(=O)OCCNc1ccccc1 34a_100000106764_200011214921 [0,0,0,0,0,2|2,0,0]=4 11795 B13R1.337 NC(=O)OCCOc1ccccc1 34a_100000210340_200011214921 [0,0,0,0,0,2|1,0,0]=3 11796 B13R1.337 NC(=O)OCCOc1ccccc1 7a_100000210340_200011214921 [0,0,0,0,0,2|1,0,0]=3 11797 B13R1.337 NC(=O)OCCOc1cccnc1 34a_100000210849_200011214921 [0,0,0,0,0,2|2,0,0]=4 11798 B13R1.337 NC(=O)OCCOc1cccnc1 7a_100000210849_200011214921 [0,0,0,0,0,2|2,0,0]=4 11799 B13R1.337 NC(=O)OCCOc1ccncc1 34a_100000212176_200011214921 [0,0,0,0,0,2|2,0,0]=4 11800 B13R1.337 NC(=O)OCCSc1ccccc1 62a_100000719477_200011214921 [0,0,0,0,0,2|1,1,0]=4 11801 B13R1.337 NC(=O)OCCSc1ccccc1 62a_200011214921_100000041952 [0,0,0,0,0,2|1,1,0]=4 11802 B13R1.337 O=C(O)CNCCc1ccccc1 269956a_100016091260_100000765856 [0,0,0,0,0,2|1,0,0]=3 11803 B13R1.337 O=C(O)CNCCc1ccccn1 269956a_100016091260_100015183660 [0,0,0,0,0,2|2,0,0]=4 11804 B13R1.337 O=C(O)CNCCc1cccnc1 269956a_100016091260_200011713674 [0,0,0,0,0,2|2,0,0]=4 11805 B13R1.337 O=C(O)CNCCc1ccncc1 269956a_100016091260_100000723409 [0,0,0,0,0,2|2,0,0]=4 11806 B13R1.337 O=C(O)CNCSc1ccccc1 269956a_100016091260_100011218342 [0,0,0,0,0,2|0,1,0]=3 11807 B13R1.337 O=C(O)CONCc1ccccc1 269956a_100000106656_100015291786 [0,0,0,0,0,2|0,0,0]=2 11808 B13R1.337 O=C(O)CONCc1ccccn1 269956a_100000106656_100000721315 [0,0,0,0,0,2|1,0,0]=3 11809 B13R1.337 O=C(O)CONCc1cccnc1 269956a_100000106656_100000733263 [0,0,0,0,0,2|1,0,0]=3 11810 B13R1.337 O=C(O)CONCc1cccnn1 269956a_100000106656_100016990269 [0,0,0,0,0,2|2,0,0]=4 11811 B13R1.337 O=C(O)CONCc1ccncc1 269956a_100000106656_100015193705 [0,0,0,0,0,2|1,0,0]=3 11812 B13R1.337 O=C(O)CONCc1cnccn1 269956a_100000106656_100016995436 [0,0,0,0,0,2|2,0,0]=4 11813 B13R1.337 O=C(O)CONCc1cncnc1 269956a_100000106656_100016991940 [0,0,0,0,0,2|2,0,0]=4 11814 B13R1.337 O=C(O)CONCc1ncccn1 269956a_100000106656_100000703007 [0,0,0,0,0,2|2,0,0]=4 11815 B13R1.337 O=C([O-])CNCCc1ccccc1 34a_100000106460_100020667443 [0,0,0,0,0,2|1,0,1]=4 11816 B13R1.337 O=C([O-])COCCc1ccccc1 34a_100000210268_100020667443 [0,0,0,0,0,2|0,0,1]=3 11817 B13R1.337 O=C([O-])COCCc1ccccn1 34a_100000210271_100020667443 [0,0,0,0,0,2|1,0,1]=4 11818 B13R1.337 O=C([O-])COCCc1cccnc1 34a_100011217484_100020667443 [0,0,0,0,0,2|1,0,1]=4 11819 B13R1.337 O=C([O-])COCCc1ccncc1 34a_100011216225_100020667443 [0,0,0,0,0,2|1,0,1]=4 11820 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100000765856_100020667443 [0,0,0,0,0,2|0,1,1]=4 11821 B13R1.337 O=C([O-])CSCCc1ccccc1 62a_100020667443_100011218657 [0,0,0,0,0,2|0,1,1]=4 11822 B13R1.337 O=C([O-])CSCSc1ccccc1 62a_100011218342_100020667443 [0,0,0,0,0,2|0,1,1]=4 11823 B13R1.337 O=C([O-])CSCSc1ccccc1 62a_100020667443_100011218342 [0,0,0,0,0,2|0,1,1]=4 11824 B13R1.337 O=[N+]([O-])COCCc1ccccc1 34a_100000210268_100000761209 [0,0,0,0,0,2|1,0,1]=4 11825 B13R1.337 OB(O)/C=C/COc1ccccc1 34a_100000210340_100016262062 [0,0,0,0,0,2|1,0,1]=4 11826 B13R1.337 OB(O)/C=C/COc1ccccc1 7a_100000210340_100016262062 [0,0,0,0,0,2|1,0,1]=4 11827 B13R1.337 [13CH3]C(=O)C=CCCc1ccccc1 1458a_100016484021_200025704644 [0,0,0,0,0,2|2,0,0]=4 11828 B13R1.337 [13CH3]C(=O)CCCCc1ccccc1 1458a_100011215911_200025704644 [0,0,0,0,0,2|2,0,0]=4 11829 B13R1.337 [13CH3]C(=O)CCCOc1ccccc1 1458a_100000212059_200025704644 [0,0,0,0,0,2|1,0,0]=3 11830 B13R1.337 [13CH3]C(=O)CCCSc1ccccc1 1458a_100000182835_200025704644 [0,0,0,0,0,2|1,1,0]=4 11831 B13R1.337 [13CH3]C(=O)CCOCc1ccccc1 1458a_100000743319_200025704644 [0,0,0,0,0,2|1,0,0]=3 11832 B13R1.337 [13CH3]C(=O)CCSCc1ccccc1 1458a_100000173759_200025704644 [0,0,0,0,0,2|1,1,0]=4