0 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,0,0,0,0,0|3,0,1]=4 24 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,0,0,0,0,0|3,0,1]=4 35 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,0,0,0,0,0|3,0,1]=4 36 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.9 CNC(=O)CNC(=O)N 240690a_100102657272_100000184981 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.9 CNC(=O)CNC(=O)N 527a_100102657272_100000184981 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.9 CNC(=O)CSC(=O)N 240690a_100102657272_200015941356 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [0,0,0,0,0,0|3,0,1]=4 50 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [0,0,0,0,0,0|4,0,0]=4 51 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [0,0,0,0,0,0|4,0,0]=4 52 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,0,0,0,0,0|1,0,2]=3 53 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,0,0,0,0,0|1,0,2]=3 54 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,0,0,0,0,0|2,0,1]=3 55 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,0,0,0,0,0|2,0,1]=3 56 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,0,0,0,0,0|2,0,1]=3 57 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,0,0,0,0,0|2,0,2]=4 58 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [1,0,0,0,0,0|3,0,0]=4 61 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [1,0,0,0,0,0|3,0,0]=4 74 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [1,0,0,0,0,0|3,0,0]=4 75 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,0,0,0,0|3,0,0]=4 83 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,0,0,0,0|3,0,0]=4 84 B7R0.4 COC/C=C/B(O)O 34a_100138415774_100016262062 [1,0,0,0,0,0|1,0,2]=4 85 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|1,0,1]=3 86 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|1,0,1]=3 87 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|1,0,2]=4 88 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,0,0,0,0,0|1,0,2]=4 93 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [1,0,0,0,0,0|2,0,1]=4 98 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,0,0,0,0,0|2,0,1]=4 101 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [1,0,0,0,0,0|3,0,0]=4 102 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,0,0,0,0,0|2,0,1]=4 103 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,0,0,0,0,0|2,0,1]=4 104 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,0,0,0,0,0|2,0,1]=4 105 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,0,0,0,0,0|1,0,2]=4 106 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [1,0,0,0,0,0|2,0,1]=4 107 B9R0.7 CC(=O)C=CC(=O)N(C)C 1458a_100011200747_200000210301 [0,1,0,0,0,0|2,0,0]=3 108 B9R0.7 CN(C)C(=O)C=CC(=O)[13CH3] 1458a_100011200747_200025704644 [0,1,0,0,0,0|2,0,0]=3 109 B9R0.23 C=C(NC(=O)C)C(=O)NC 240690a_100102657272_100000758921 [0,1,0,0,0,0|3,0,0]=4 110 B9R0.23 CNC(=O)C(=O)CC(=O)N 1458a_100011218921_100000187820 [0,1,0,0,0,0|2,0,1]=4 111 B9R0.23 CNC(=O)C(=O)CC(=O)[O-] 1458a_100011218921_100020667443 [0,1,0,0,0,0|1,0,2]=4 112 B9R0.23 COC(=O)[C@@H](C)NC(=O)C 188690a_100000687819_100015343762 [0,1,0,0,0,0|2,0,1]=4 113 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [0,1,0,0,0,0|3,0,0]=4 114 B9R0.24 CC=C(C)C=CC(=O)CF 1458a_100000692105_100015361967 [0,1,0,0,0,0|3,0,0]=4 115 B9R0.24 CC=C(C)C=CC(=O)NC 1626a_100102657272_100000692105 [0,1,0,0,0,0|3,0,0]=4 116 B9R0.24 CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210202 [0,1,0,0,0,0|2,0,0]=3 117 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,1,0,0,0,0|1,0,2]=4 118 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,1,0,0,0,0|2,0,1]=4 119 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,1,0,0,0,0|2,0,1]=4 120 B9R0.24 CCC(=O)NNC(=O)CO 22a_100000183195_100000210174 [0,1,0,0,0,0|3,0,0]=4 121 B9R0.24 CNC(=O)C=CC(=O)CF 1458a_100016259477_100015361967 [0,1,0,0,0,0|2,0,0]=3 122 B9R0.24 CNC(=O)C=CC(=O)NC 1626a_100102657272_100016259477 [0,1,0,0,0,0|2,0,0]=3 123 B9R0.24 CNC(=O)C=CC(=O)OC 1626a_100102657272_100016283253 [0,1,0,0,0,0|1,0,0]=2 124 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,1,0,0,0,0|1,0,2]=4 125 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,1,0,0,0,0|1,0,2]=4 126 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,1,0,0,0,0|1,0,2]=4 127 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,1,0,0,0,0|1,0,2]=4 128 B9R0.24 CNC(=O)CNC(=O)CO 240690a_100000693194_100000210174 [0,1,0,0,0,0|2,0,1]=4 129 B9R0.24 CNC(=O)CNC(=O)CO 527a_100000693194_100000210174 [0,1,0,0,0,0|2,0,1]=4 130 B9R0.24 CNC(=O)CNC(=O)OC 11a_106832991635_100000215747 [0,1,0,0,0,0|2,0,1]=4 131 B9R0.24 CNC(=O)CNC(=O)OC 1626a_100102657272_100000215747 [0,1,0,0,0,0|2,0,1]=4 132 B9R0.24 CNC(=O)CNC(=O)OC 240690a_100102657272_100000215747 [0,1,0,0,0,0|2,0,1]=4 133 B9R0.24 CNC(=O)CNC(=O)OC 527a_100102657272_100000215747 [0,1,0,0,0,0|2,0,1]=4 134 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,1,0,0,0,0|1,0,2]=4 135 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [0,1,0,0,0,0|1,0,1]=3 136 B9R0.24 COC(=O)NCC(=O)CF 1458a_100000215747_100015361967 [0,1,0,0,0,0|2,0,1]=4 137 B9R0.42 C=C(C)C(=O)CC(=O)OC 1458a_100000185857_100000747449 [0,1,0,0,0,0|2,0,1]=4 138 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,1,0,0,0,0|2,0,1]=4 139 B9R0.42 COC(=O)CC(=O)C(O)O 1458a_100000233687_100000747449 [0,1,0,0,0,0|0,0,3]=4 140 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [0,1,0,0,0,0|1,0,2]=4 141 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [0,1,0,0,0,0|1,0,2]=4 142 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,1,0,0,0,0|1,0,2]=4 143 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,1,0,0,0,0|1,0,2]=4 144 B9R0.42 COC(=O)CN(C)C(=O)C 11a_100000198492_100015343762 [0,1,0,0,0,0|2,0,1]=4 145 B9R0.42 COC(=O)CN(C)C(=O)C 1626a_100000198492_100015343762 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.42 COC(=O)CN(C)C(=O)C 240690a_100000198492_100015343762 [0,1,0,0,0,0|2,0,1]=4 147 B9R0.42 COC(=O)CN(C)C(=O)C 527a_100000198492_100103153847 [0,1,0,0,0,0|2,0,1]=4 148 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,1,0,0,0,0|1,0,0]=2 149 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,1,0,0,0,0|1,0,0]=2 150 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,1,0,0,0,0|1,0,2]=4 151 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,1,0,0,0,0|1,0,2]=4 152 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,1,0,0,0,0|2,0,1]=4 153 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,1,0,0,0,0|2,0,1]=4 154 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,1,0,0,0,0|2,0,1]=4 155 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,1,0,0,0,0|2,0,1]=4 156 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,1,0,0,0,0|2,0,1]=4 157 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,1,0,0,0,0|2,0,1]=4 158 B9R0.48 COCC(=O)NCC(=O)N 11a_100000711301_100000210968 [0,1,0,0,0,0|2,0,1]=4 159 B9R0.48 COCC(=O)NCC(=O)N 240690a_100000711301_100000210968 [0,1,0,0,0,0|2,0,1]=4 160 B9R0.48 COCC(=O)NCC(=O)N 527a_100000711301_100000210968 [0,1,0,0,0,0|2,0,1]=4 161 B9R0.48 COCC(=O)NNC(=O)C 22a_100000189765_100000210968 [0,1,0,0,0,0|3,0,0]=4 162 B9R0.48 COCC(=O)NNC(=O)C 22a_100000216845_100000070787 [0,1,0,0,0,0|3,0,0]=4 163 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,1,0,0,0,0|2,0,1]=4 164 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [0,0,0,1,0,0|3,0,0]=4 165 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [0,0,0,1,0,0|3,0,0]=4 166 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [0,0,0,1,0,0|3,0,0]=4 167 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [0,0,0,1,0,0|3,0,0]=4 168 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [0,0,0,1,0,0|3,0,0]=4 169 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [0,0,0,1,0,0|3,0,0]=4 170 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [0,0,0,1,0,0|3,0,0]=4 171 B9R1.1 CNc1ccc(nn1)O 271570a_203496583355_100000215272 [0,0,0,1,0,0|3,0,0]=4 172 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [0,0,0,1,0,0|2,0,0]=3 173 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [0,0,0,1,0,0|3,0,0]=4 174 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [0,0,0,1,0,0|3,0,0]=4 175 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [0,0,0,1,0,0|3,0,0]=4 176 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [0,0,0,1,0,0|3,0,0]=4 177 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [0,0,0,1,0,0|3,0,0]=4 178 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [0,0,0,1,0,0|3,0,0]=4 179 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [0,0,0,1,0,0|3,0,0]=4 180 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [0,0,0,1,0,0|3,0,0]=4 181 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [0,0,0,1,0,0|3,0,0]=4 182 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [0,0,0,1,0,0|3,0,0]=4 183 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [0,0,0,1,0,0|2,0,0]=3 184 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [0,0,0,1,0,0|3,0,0]=4 185 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [0,0,0,1,0,0|3,0,0]=4 186 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [0,0,0,1,0,0|3,0,0]=4 187 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [0,0,0,1,0,0|3,0,0]=4 188 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [0,0,0,1,0,0|2,0,0]=3 189 B9R1.1 COc1ccc(nc1)Br 34a_100000685995_200000210301 [0,0,0,1,0,0|3,0,0]=4 190 B9R1.1 COc1ccc(nc1)Br 7a_100000685995_200000210301 [0,0,0,1,0,0|3,0,0]=4 191 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [0,0,0,1,0,0|3,0,0]=4 192 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [0,0,0,1,0,0|3,0,0]=4 193 B9R1.1 COc1ccc(nc1)Cl 34a_100000744096_200000210301 [0,0,0,1,0,0|3,0,0]=4 194 B9R1.1 COc1ccc(nc1)Cl 7a_100000744096_200000210301 [0,0,0,1,0,0|3,0,0]=4 195 B9R1.1 COc1ccc(nc1)F 34a_100000688820_200000210301 [0,0,0,1,0,0|3,0,0]=4 196 B9R1.1 COc1ccc(nc1)F 7a_100000688820_200000210301 [0,0,0,1,0,0|3,0,0]=4 197 B9R1.1 COc1ccc(nc1)I 34a_100000687607_200000210301 [0,0,0,1,0,0|3,0,0]=4 198 B9R1.1 COc1ccc(nc1)I 7a_100000687607_200000210301 [0,0,0,1,0,0|3,0,0]=4 199 B9R1.1 COc1ccc(nc1)N 34a_100015188713_200000210301 [0,0,0,1,0,0|3,0,0]=4 200 B9R1.1 COc1ccc(nc1)N 7a_100015188713_200000210301 [0,0,0,1,0,0|3,0,0]=4 201 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [0,0,0,1,0,0|2,0,0]=3 202 B9R1.1 COc1ccc(nn1)O 271570a_203496583355_100009819040 [0,0,0,1,0,0|2,0,0]=3 203 B9R1.1 COc1cnc(cn1)O 271570a_203496583355_100011998698 [0,0,0,1,0,0|3,0,0]=4 204 B9R1.1 COc1cnc(nc1)O 271570a_203496583355_100000069167 [0,0,0,1,0,0|3,0,0]=4 205 B9R1.1 COc1ncc(cn1)O 271570a_203496583355_100000686852 [0,0,0,1,0,0|3,0,0]=4 206 B9R1.1 CSc1ccc(=O)[nH]c1 62a_100000212171_200000210301 [0,0,0,1,0,0|2,1,0]=4 207 B9R1.1 CSc1ccc(=O)[nH]c1 62a_200000210301_100000212171 [0,0,0,1,0,0|2,1,0]=4 208 B9R1.1 CSc1ccc(=O)[nH]n1 62a_100009820020_200000210301 [0,0,0,1,0,0|2,1,0]=4 209 B9R1.1 CSc1ccc(=O)[nH]n1 62a_200000210301_100009820020 [0,0,0,1,0,0|2,1,0]=4 210 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [0,0,0,1,0,0|2,1,0]=4 211 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [0,0,0,1,0,0|2,1,0]=4 212 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [0,0,0,1,0,0|2,1,0]=4 213 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [0,0,0,1,0,0|2,1,0]=4 214 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [0,0,0,1,0,0|2,1,0]=4 215 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [0,0,0,1,0,0|2,1,0]=4 216 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [0,0,0,1,0,0|3,0,0]=4 217 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [0,0,0,1,0,0|3,0,0]=4 218 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [0,0,0,1,0,0|3,0,0]=4 219 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [0,0,0,1,0,0|3,0,0]=4 220 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [0,0,0,1,0,0|3,0,0]=4 221 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [0,0,0,1,0,0|3,0,0]=4 222 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [0,0,0,1,0,0|2,0,0]=3 223 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [0,0,0,1,0,0|3,0,0]=4 224 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [0,0,0,1,0,0|3,0,0]=4 225 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [0,0,0,1,0,0|3,0,0]=4 226 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [0,0,0,1,0,0|3,0,0]=4 227 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [0,0,0,1,0,0|3,0,0]=4 228 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [0,0,0,1,0,0|3,0,0]=4 229 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [0,0,0,1,0,0|3,0,0]=4 230 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [0,0,0,1,0,0|3,0,0]=4 231 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [0,0,0,1,0,0|3,0,0]=4 232 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [0,0,0,1,0,0|3,0,0]=4 233 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [0,0,0,1,0,0|3,0,0]=4 234 B9R1.1 [13CH3]Oc1ccc(nc1)Br 34a_100000685995_200025704644 [0,0,0,1,0,0|3,0,0]=4 235 B9R1.1 [13CH3]Oc1ccc(nc1)Br 7a_100000685995_200025704644 [0,0,0,1,0,0|3,0,0]=4 236 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 34a_100000744096_200025704644 [0,0,0,1,0,0|3,0,0]=4 237 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 7a_100000744096_200025704644 [0,0,0,1,0,0|3,0,0]=4 238 B9R1.1 [13CH3]Oc1ccc(nc1)F 34a_100000688820_200025704644 [0,0,0,1,0,0|3,0,0]=4 239 B9R1.1 [13CH3]Oc1ccc(nc1)F 7a_100000688820_200025704644 [0,0,0,1,0,0|3,0,0]=4 240 B9R1.1 [13CH3]Oc1ccc(nc1)I 34a_100000687607_200025704644 [0,0,0,1,0,0|3,0,0]=4 241 B9R1.1 [13CH3]Oc1ccc(nc1)I 7a_100000687607_200025704644 [0,0,0,1,0,0|3,0,0]=4 242 B9R1.1 [13CH3]Oc1ccc(nc1)N 34a_100015188713_200025704644 [0,0,0,1,0,0|3,0,0]=4 243 B9R1.1 [13CH3]Oc1ccc(nc1)N 7a_100015188713_200025704644 [0,0,0,1,0,0|3,0,0]=4 244 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_100000212171_200025704644 [0,0,0,1,0,0|2,1,0]=4 245 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_200025704644_100000212171 [0,0,0,1,0,0|2,1,0]=4 246 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_100009820020_200025704644 [0,0,0,1,0,0|2,1,0]=4 247 B9R1.1 [13CH3]Sc1ccc(=O)[nH]n1 62a_200025704644_100009820020 [0,0,0,1,0,0|2,1,0]=4 248 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [0,0,0,1,0,0|2,1,0]=4 249 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [0,0,0,1,0,0|2,1,0]=4 250 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [0,0,0,1,0,0|2,1,0]=4 251 B9R1.69 Cc1cc(ccc1Br)O 271570a_203496583355_100009813585 [0,0,0,1,0,0|3,0,0]=4 252 B9R1.69 Cc1cc(ccc1Cl)O 271570a_203496583355_100000049509 [0,0,0,1,0,0|3,0,0]=4 253 B9R1.69 Cc1cc(ccc1F)O 271570a_203496583355_100011218330 [0,0,0,1,0,0|3,0,0]=4 254 B9R1.69 Cc1cc(ccc1N)O 271570a_203496583355_100000211769 [0,0,0,1,0,0|3,0,0]=4 255 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [0,0,0,1,0,0|2,0,1]=4 256 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [0,0,0,1,0,0|2,0,1]=4 257 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [0,0,0,1,0,0|3,0,0]=4 258 B9R1.69 Cc1ccc(nc1C)O 271570a_203496583355_100000103781 [0,0,0,1,0,0|3,0,0]=4 259 B9R1.69 Cc1nc(c[nH]c1=O)O 271570a_203496583355_100010363809 [0,0,0,1,0,0|3,0,0]=4 260 B9R1.69 Cc1nc(ccc1Br)O 271570a_203496583355_100012360386 [0,0,0,1,0,0|3,0,0]=4 261 B9R1.69 Cc1nc(ccc1F)O 271570a_203496583355_100009814307 [0,0,0,1,0,0|3,0,0]=4 262 B9R1.69 Cc1nc(ccc1N)O 271570a_203496583355_100000760127 [0,0,0,1,0,0|3,0,0]=4 263 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100000691680 [0,0,0,1,0,0|2,0,1]=4 264 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100010233687 [0,0,0,1,0,0|2,0,1]=4 265 B9R1.69 Cn1cc(ccc1=O)O 271570a_203496583355_100011245003 [0,0,0,1,0,0|2,0,0]=3 266 B9R1.69 Cn1cc(cnc1=O)O 271570a_203496583355_100009819886 [0,0,0,1,0,0|3,0,0]=4 267 B9R1.69 Cn1cc(ncc1=O)O 271570a_203496583355_100009843036 [0,0,0,1,0,0|3,0,0]=4 268 B9R1.69 Cn1nc(ccc1=O)O 271570a_203496583355_100009820752 [0,0,0,1,0,0|2,0,0]=3 269 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,0,0,1,0|3,0,0]=4 270 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,0,0,1,0|3,0,0]=4 271 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,0,0,0,1,0|3,0,0]=4 272 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,0,0,0,1,0|3,0,0]=4 273 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,0,0,0,1,0|3,0,0]=4 274 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [0,0,0,0,1,0|3,0,0]=4 275 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,1,0|2,0,1]=4 276 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,0,0,1,0|2,0,1]=4 277 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,0,0,1,0|2,0,1]=4 278 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,0,0,1,0|1,0,2]=4 279 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,0,0,0,1,0|3,0,0]=4 280 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,0,0,0,1,0|3,0,0]=4 281 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,0,0,0,1,0|3,0,0]=4 282 B7R0.2 CNC(=O)C=C(C)Cl 11a_106832991635_200042562850 [0,0,0,0,1,0|3,0,0]=4 283 B7R0.2 CNC(=O)C=C(C)Cl 1626a_100102657272_200042562850 [0,0,0,0,1,0|3,0,0]=4 284 B7R0.2 CNC(=O)C=C(C)Cl 240690a_100102657272_200042562850 [0,0,0,0,1,0|3,0,0]=4 285 B7R0.2 CNC(=O)C=C(C)I 11a_106832991635_100025716642 [0,0,0,0,1,0|3,0,0]=4 286 B7R0.2 CNC(=O)C=C(C)I 1626a_100102657272_100025716642 [0,0,0,0,1,0|3,0,0]=4 287 B7R0.2 CNC(=O)C=C(Cl)Cl 1626a_100102657272_100000137448 [0,0,0,0,1,0|3,0,0]=4 288 B7R0.2 CNC(=O)C=C(Cl)Cl 240690a_100102657272_100000137448 [0,0,0,0,1,0|3,0,0]=4 289 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,0,0,1,0|2,0,1]=4 290 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [0,0,0,0,1,0|2,0,1]=4 291 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [0,0,0,0,1,0|2,0,1]=4 292 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,0,0,0,1,0|1,0,1]=3 293 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,0,0,0,1,0|1,0,1]=3 294 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,0,0,0,1,0|1,0,1]=3 295 B9R0.1 CCC(=O)C/C=C/B(O)O 1458a_100000210414_100016262062 [0,0,0,0,0,1|2,0,1]=4 296 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,0,0,0,0,1|1,0,2]=4 297 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [0,0,0,0,0,1|1,0,2]=4 298 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,0,0,0,0,1|3,0,0]=4 299 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,0,0,0,0,1|3,0,0]=4 300 B9R0.1 COC(=O)C=NNC(=O)C 4a_100000189765_200011823558 [0,0,0,0,0,1|2,0,0]=3 301 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,0,0,0,0,1|1,0,2]=4 302 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,0,0,0,0,1|1,0,2]=4 303 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,0,0,0,0,1|1,0,2]=4 304 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,0,0,0,0,1|1,0,2]=4 305 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [0,0,0,0,0,1|1,0,2]=4 306 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,0,0,0,0,1|0,0,2]=3 307 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,0,0,0,0,1|1,0,2]=4 308 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,0,0,0,0,1|1,0,2]=4 309 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [0,0,0,0,0,1|1,0,2]=4 310 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [0,0,0,0,0,1|1,0,2]=4 311 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,0,0,0,0,1|1,0,2]=4 312 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [0,0,0,0,0,1|0,0,3]=4 313 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [0,0,0,0,0,1|0,0,3]=4 314 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [2,0,0,0,0,0|1,0,1]=4 315 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [2,0,0,0,0,0|1,0,1]=4 316 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [2,0,0,0,0,0|1,0,1]=4 317 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [2,0,0,0,0,0|1,0,1]=4 318 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [2,0,0,0,0,0|1,0,1]=4 319 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [2,0,0,0,0,0|1,0,1]=4 320 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [2,0,0,0,0,0|1,0,1]=4 321 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [2,0,0,0,0,0|1,0,1]=4 322 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [2,0,0,0,0,0|1,0,1]=4 323 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [2,0,0,0,0,0|1,0,1]=4 324 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [2,0,0,0,0,0|2,0,0]=4 325 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [2,0,0,0,0,0|2,0,0]=4 326 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [2,0,0,0,0,0|2,0,0]=4 327 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [2,0,0,0,0,0|2,0,0]=4 328 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [2,0,0,0,0,0|2,0,0]=4 329 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [2,0,0,0,0,0|2,0,0]=4 330 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [2,0,0,0,0,0|2,0,0]=4 331 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [2,0,0,0,0,0|2,0,0]=4 332 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [2,0,0,0,0,0|2,0,0]=4 333 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|1,0,1]=4 334 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [2,0,0,0,0,0|1,0,0]=3 335 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [2,0,0,0,0,0|1,0,0]=3 336 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|1,0,1]=4 337 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|1,0,1]=4 338 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|1,0,1]=4 339 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|1,0,1]=4 340 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|1,0,1]=4 341 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [2,0,0,0,0,0|1,0,0]=3 342 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [2,0,0,0,0,0|1,0,0]=3 343 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [1,1,0,0,0,0|1,0,1]=4 344 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,1,0,0,0,0|2,0,0]=4 345 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [1,1,0,0,0,0|2,0,0]=4 346 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [1,1,0,0,0,0|2,0,0]=4 347 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [1,1,0,0,0,0|2,0,0]=4 348 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [1,1,0,0,0,0|1,0,1]=4 349 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [1,1,0,0,0,0|2,0,0]=4 350 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [1,1,0,0,0,0|2,0,0]=4 351 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [1,1,0,0,0,0|2,0,0]=4 352 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [1,1,0,0,0,0|2,0,0]=4 353 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [1,1,0,0,0,0|1,0,1]=4 354 B8R0.6 CNC(=O)C=CCOC 11a_106832991635_100016285016 [1,1,0,0,0,0|1,0,1]=4 355 B8R0.6 CNC(=O)C=CCOC 1626a_100102657272_100016285016 [1,1,0,0,0,0|1,0,1]=4 356 B8R0.6 CNC(=O)C=CCOC 240690a_100102657272_100016285016 [1,1,0,0,0,0|1,0,1]=4 357 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [1,1,0,0,0,0|1,0,1]=4 358 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [1,1,0,0,0,0|1,0,1]=4 359 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [1,1,0,0,0,0|1,0,1]=4 360 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [1,1,0,0,0,0|0,1,1]=4 361 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [1,1,0,0,0,0|0,1,1]=4 362 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [1,1,0,0,0,0|0,1,1]=4 363 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [1,1,0,0,0,0|0,1,1]=4 364 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [1,1,0,0,0,0|0,0,2]=4 365 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [1,1,0,0,0,0|0,0,2]=4 366 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [1,1,0,0,0,0|0,0,1]=3 367 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [1,1,0,0,0,0|2,0,0]=4 368 B8R0.8 C=CC=CC(=O)N(C)C 1626a_100102631434_100016291481 [1,1,0,0,0,0|2,0,0]=4 369 B8R0.19 C=CC(=O)CC(=O)OC 1458a_100000185746_100000747449 [1,1,0,0,0,0|1,0,1]=4 370 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [1,1,0,0,0,0|0,0,2]=4 371 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [1,1,0,0,0,0|1,0,1]=4 372 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,1,0,0,1,0|1,0,1]=4 373 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,1,0,0,1,0|1,0,1]=4 374 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,1,0,0,1,0|1,0,1]=4 375 B10R0.3 CCOC(=O)C=NNC(=O)C 4a_100000189765_100000742314 [0,1,0,0,0,1|2,0,0]=4 376 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,1,0,0,0,1|0,0,2]=4 377 B10R0.3 COCC(=O)C/C=C/B(O)O 1458a_100000210968_100016262062 [0,1,0,0,0,1|1,0,1]=4 378 B10R0.44 COC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747449 [0,1,0,0,0,1|2,0,0]=4 379 B10R0.44 COC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747449 [0,1,0,0,0,1|2,0,0]=4 380 B10R0.44 COC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747449 [0,1,0,0,0,1|2,0,0]=4 381 B10R0.44 COC(=O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000747449 [0,1,0,0,0,1|2,0,0]=4 382 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100000211351_100000187820 [0,1,0,0,0,1|1,0,1]=4 383 B10R0.44 COC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747449 [0,1,0,0,0,1|1,0,1]=4 384 B10R0.44 COC(=O)CC(=O)CC(=O)[O-] 1458a_100000211351_100020667443 [0,1,0,0,0,1|0,0,2]=4 385 B10R0.44 COC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747449 [0,1,0,0,0,1|0,0,2]=4 386 B10R0.44 COC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000010850 [0,1,0,0,0,1|1,0,1]=4 387 B10R0.57 COC(=O)C(=NNC(=O)C)C 4a_100000189765_100000211753 [0,1,0,0,0,1|2,0,0]=4 388 B10R0.57 COC(=O)C(=O)NCC(=O)N 11a_100000711301_100000024059 [0,1,0,0,0,1|1,0,1]=4 389 B10R0.57 COC(=O)C(=O)NCC(=O)N 240690a_100000711301_100000024059 [0,1,0,0,0,1|1,0,1]=4 390 B10R0.57 COC(=O)C(=O)NCC(=O)N 527a_100000711301_100000024059 [0,1,0,0,0,1|1,0,1]=4 391 B10R0.59 CCC(=O)NN=CC(=O)OC 4a_100000183195_200011823558 [0,1,0,0,0,1|2,0,0]=4 392 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,1,0,0,0,1|0,0,2]=4 393 B10R0.59 COC(=O)CCNC(=O)CO 188690a_100000683876_100000210174 [0,1,0,0,0,1|0,0,2]=4 394 B10R0.59 COC(=O)CSCC(=O)OC 62a_100000747449_100000747449 [0,1,0,0,0,1|0,0,2]=4 395 B10R0.82 COC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747449 [0,1,0,0,0,1|0,0,2]=4 396 B10R0.46 C=C(CC(=O)OC)C(=O)NC 1626a_100102657272_100000040833 [0,2,0,0,0,0|1,0,1]=4 397 B10R0.46 CNC(=O)C(=O)CC(=O)OC 1458a_100011218921_100000747449 [0,2,0,0,0,0|1,0,1]=4 398 B10R0.46 COC(=O)CN(C)C(=O)CO 240690a_100000198492_100000210174 [0,2,0,0,0,0|1,0,1]=4 399 B10R0.46 COC(=O)CN(C)C(=O)CO 527a_100000198492_100000210174 [0,2,0,0,0,0|1,0,1]=4 400 B10R0.46 COC(=O)[C@@H](C)NC(=O)CO 188690a_100000687819_100000210174 [0,2,0,0,0,0|1,0,1]=4 401 B10R0.108 C#CCC(=O)C=CC(=O)NC 1458a_100016259477_100000184674 [0,2,0,0,0,0|2,0,0]=4 402 B10R0.108 C=CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210623 [0,2,0,0,0,0|2,0,0]=4 403 B10R0.108 CC=C(C)C=CC(=O)CCO 1458a_100000692105_100000211926 [0,2,0,0,0,0|2,0,0]=4 404 B10R0.108 CCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210303 [0,2,0,0,0,0|2,0,0]=4 405 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [0,2,0,0,0,0|1,0,0]=3 406 B10R0.108 CCOC(=O)C=CC(=O)CF 1458a_100000210415_100015361967 [0,2,0,0,0,0|1,0,0]=3 407 B10R0.108 CCOC(=O)C=CC(=O)NC 1626a_100102657272_100000210415 [0,2,0,0,0,0|1,0,0]=3 408 B10R0.108 CCOC(=O)C=CC(=O)NC 240690a_100102657272_100000210415 [0,2,0,0,0,0|1,0,0]=3 409 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [0,2,0,0,0,0|1,0,1]=4 410 B10R0.108 CNC(=O)C=CC(=O)CC#N 1458a_100016259477_100011214920 [0,2,0,0,0,0|2,0,0]=4 411 B10R0.108 CNC(=O)C=CC(=O)CCF 1458a_100016259477_100011217306 [0,2,0,0,0,0|2,0,0]=4 412 B10R0.108 CNC(=O)C=CC(=O)CCO 1458a_100016259477_100000211926 [0,2,0,0,0,0|1,0,0]=3 413 B10R0.108 CNNC(=O)C=CC(=O)NC 22a_100016993582_100016259477 [0,2,0,0,0,0|2,0,0]=4 414 B10R0.108 CNNC(=O)C=CC(=O)OC 22a_100016993582_100016283253 [0,2,0,0,0,0|1,0,0]=3 415 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [0,2,0,0,0,0|0,0,2]=4 416 B10R0.108 COC(=O)NCC(=O)CCO 1458a_100000215747_100000211926 [0,2,0,0,0,0|1,0,1]=4 417 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [0,2,0,0,0,0|0,0,2]=4 418 B10R0.108 COCC(=O)NCC(=O)OC 188690a_100000185156_100000210968 [0,2,0,0,0,0|1,0,1]=4 419 B10R0.108 COCC(=O)NCC(=O)OC 34a_100138415774_100000182966 [0,2,0,0,0,0|1,0,1]=4 420 B10R0.108 COCC(=O)NNC(=O)CO 22a_100000216845_100000210174 [0,2,0,0,0,0|2,0,0]=4 421 B10R0.26 COCC(=O)CC(=O)C(=O)C 1458a_100000210968_100011261029 [0,2,0,0,0,0|1,0,1]=4 422 B10R0.78 C#CCNC(=O)C=CC(=O)C 1458a_100011218889_200000210301 [0,2,0,0,0,0|2,0,0]=4 423 B10R0.78 C#CCNC(=O)C=CC(=O)[13CH3] 1458a_100011218889_200025704644 [0,2,0,0,0,0|2,0,0]=4 424 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [1,0,0,1,0,0|1,1,0]=4 425 B8R1.1 COc1nc(cs1)O 271570a_203496583355_100000727839 [1,0,0,1,0,0|2,0,0]=4 426 B8R1.1 COc1ncc(s1)O 271570a_203496583355_100000729428 [1,0,0,1,0,0|1,1,0]=4 427 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [1,0,0,1,0,0|2,0,0]=4 428 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [1,0,0,1,0,0|2,0,0]=4 429 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [1,0,0,1,0,0|2,0,0]=4 430 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [1,0,0,1,0,0|2,0,0]=4 431 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [1,0,0,1,0,0|2,0,0]=4 432 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [1,0,0,1,0,0|2,0,0]=4 433 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [1,0,0,1,0,0|2,0,0]=4 434 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [1,0,0,1,0,0|2,0,0]=4 435 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [1,0,0,1,0,0|1,0,1]=4 436 B8R1.3 O=c1ccc(n[nH]1)O 271570a_203496583355_100009820020 [1,0,0,1,0,0|2,0,0]=4 437 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [1,0,0,1,0,0|2,0,0]=4 438 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [1,0,0,1,0,0|2,0,0]=4 439 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [1,0,0,1,0,0|2,0,0]=4 440 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [1,0,0,1,0,0|1,0,1]=4 441 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [1,0,0,1,0,0|1,0,1]=4 442 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,0,0,1,0,1|1,1,0]=4 443 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,0,0,1,0,1|1,0,1]=4 444 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,0,0,1,0,1|1,1,0]=4 445 B10R1.14 CNC(=O)c1csc(n1)O 271570a_203496583355_100010260535 [0,0,0,1,0,1|2,0,0]=4 446 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,0,0,1,0,1|1,0,0]=3 447 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [0,0,0,1,0,1|2,0,0]=4 448 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,0,0,1,0,1|1,0,0]=3 449 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,0,0,1,0,1|1,0,0]=3 450 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,0,0,1,0,1|1,0,0]=3 451 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,0,0,1,0,1|0,0,1]=3 452 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,0,0,1,0,1|0,1,0]=3 453 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [0,0,0,1,0,1|1,0,0]=3 454 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,0,0,1,0,1|0,1,0]=3 455 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [0,0,0,1,0,1|1,0,0]=3 456 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,0,0,1,0,1|1,0,0]=3 457 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [0,0,0,1,0,1|1,0,0]=3 458 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,0,0,1,0,1|1,0,0]=3 459 B10R1.14 COC(=O)c1nc(n[nH]1)O 271570a_203496583355_100010173354 [0,0,0,1,0,1|2,0,0]=4 460 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,0,0,1,0,1|0,1,0]=3 461 B10R1.22 Cc1cc(cn(c1=O)C)O 271570a_203496583355_100011830242 [0,1,0,1,0,0|2,0,0]=4 462 B10R1.22 Cc1cc(nn(c1=O)C)O 271570a_203496583355_100010988966 [0,1,0,1,0,0|2,0,0]=4 463 B10R1.22 Cn1cc(cc(c1=O)F)O 271570a_203496583355_100010749421 [0,1,0,1,0,0|2,0,0]=4 464 B10R1.22 Cn1cc(cc(c1=O)N)O 271570a_203496583355_106446545582 [0,1,0,1,0,0|2,0,0]=4 465 B10R1.25 COc1c[nH]c(=O)cc1O 271570a_203496583355_100121573661 [0,1,0,1,0,0|2,0,0]=4 466 B10R1.25 COc1ccc(cc1Br)O 271570a_203496583355_100011249507 [0,1,0,1,0,0|2,0,0]=4 467 B10R1.25 COc1ccc(cc1C)O 271570a_203496583355_100011219705 [0,1,0,1,0,0|2,0,0]=4 468 B10R1.25 COc1ccc(cc1Cl)O 271570a_203496583355_100012355395 [0,1,0,1,0,0|2,0,0]=4 469 B10R1.25 COc1ccc(cc1F)O 271570a_203496583355_100000185480 [0,1,0,1,0,0|2,0,0]=4 470 B10R1.25 COc1ccc(cc1N)O 271570a_203496583355_100000743470 [0,1,0,1,0,0|2,0,0]=4 471 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100009816560 [0,1,0,1,0,0|1,0,1]=4 472 B10R1.25 COc1ccc(cc1O)O 271570a_203496583355_100010084122 [0,1,0,1,0,0|1,0,1]=4 473 B10R1.25 COc1ccc(nc1Br)O 271570a_203496583355_100010214827 [0,1,0,1,0,0|2,0,0]=4 474 B10R1.25 COc1ccc(nc1C)O 271570a_203496583355_100010244750 [0,1,0,1,0,0|2,0,0]=4 475 B10R1.25 COc1ccc(nc1Cl)O 271570a_203496583355_100010233546 [0,1,0,1,0,0|2,0,0]=4 476 B10R1.25 COc1ccc(nc1F)O 271570a_203496583355_100010138636 [0,1,0,1,0,0|2,0,0]=4 477 B10R1.25 COc1ccc(nc1N)O 271570a_203496583355_100010192976 [0,1,0,1,0,0|2,0,0]=4 478 B10R1.25 COc1cnc(cc1N)O 271570a_203496583355_100010896307 [0,1,0,1,0,0|2,0,0]=4 479 B10R1.25 COc1cnc(cc1O)O 271570a_203496583355_100010264082 [0,1,0,1,0,0|2,0,0]=4 480 B10R1.25 COc1coc(cc1=O)C 34a_100000081520_200000210301 [0,1,0,1,0,0|2,0,0]=4 481 B10R1.25 COc1ncc(cc1Br)O 271570a_203496583355_200010988584 [0,1,0,1,0,0|2,0,0]=4 482 B10R1.25 COc1ncc(cc1C)O 271570a_203496583355_100011290809 [0,1,0,1,0,0|2,0,0]=4 483 B10R1.25 COc1ncc(cc1F)O 271570a_203496583355_100011880707 [0,1,0,1,0,0|2,0,0]=4 484 B10R1.25 COc1ncc(cc1N)O 271570a_203496583355_100000748608 [0,1,0,1,0,0|2,0,0]=4 485 B10R1.25 COc1ncc(cc1O)O 271570a_203496583355_100010135713 [0,1,0,1,0,0|2,0,0]=4 486 B10R1.25 COc1nnc(cc1C)O 271570a_203496583355_100010272851 [0,1,0,1,0,0|2,0,0]=4 487 B10R1.25 Cc1cc(=O)c(co1)O[13CH3] 34a_100000081520_200025704644 [0,1,0,1,0,0|2,0,0]=4 488 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [0,1,0,1,0,0|2,0,0]=4 489 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [0,1,0,1,0,0|2,0,0]=4 490 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [0,1,0,1,0,0|2,0,0]=4 491 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [0,1,0,1,0,0|2,0,0]=4 492 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [0,1,0,1,0,0|2,0,0]=4 493 B10R1.3 COc1ccc(cn1)O[13CH3] 34a_100011934560_200025704644 [0,1,0,1,0,0|2,0,0]=4 494 B10R1.3 COc1ccc(nc1)CO 34a_103436540053_200000210301 [0,1,0,1,0,0|2,0,0]=4 495 B10R1.3 COc1ccc(nc1)OC 34a_100011934560_200000210301 [0,1,0,1,0,0|2,0,0]=4 496 B10R1.3 COc1ccc(nc1)OC 34a_100012002028_200000210301 [0,1,0,1,0,0|2,0,0]=4 497 B10R1.3 COc1ccc(nc1)O[13CH3] 34a_100012002028_200025704644 [0,1,0,1,0,0|2,0,0]=4 498 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [0,1,0,1,0,0|2,0,0]=4 499 B10R1.3 [13CH3]Oc1ccc(nc1)CO 34a_103436540053_200025704644 [0,1,0,1,0,0|2,0,0]=4 500 B10R1.176 COc1cc(c(cn1)O)C 271570a_203496583355_100011934368 [0,1,0,1,0,0|2,0,0]=4 501 B10R1.176 COc1cc(c(cn1)O)F 271570a_203496583355_100010136277 [0,1,0,1,0,0|2,0,0]=4 502 B10R1.176 COc1cc(c(cn1)O)N 271570a_203496583355_100010254562 [0,1,0,1,0,0|2,0,0]=4 503 B10R1.176 COc1cc(c(cn1)O)O 271570a_203496583355_100010738159 [0,1,0,1,0,0|2,0,0]=4 504 B10R1.176 COc1ccc(c(c1)Br)O 271570a_203496583355_100012349170 [0,1,0,1,0,0|2,0,0]=4 505 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [0,1,0,1,0,0|2,0,0]=4 506 B10R1.176 COc1ccc(c(c1)F)O 271570a_203496583355_100000753793 [0,1,0,1,0,0|2,0,0]=4 507 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [0,1,0,1,0,0|2,0,0]=4 508 B10R1.176 COc1ccc(c(c1)O)Br 271570a_203496583355_100009992028 [0,1,0,1,0,0|2,0,0]=4 509 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [0,1,0,1,0,0|2,0,0]=4 510 B10R1.176 COc1ccc(c(c1)O)Cl 271570a_203496583355_100011356938 [0,1,0,1,0,0|2,0,0]=4 511 B10R1.176 COc1ccc(c(c1)O)F 271570a_203496583355_100000699733 [0,1,0,1,0,0|2,0,0]=4 512 B10R1.176 COc1ccc(c(c1)O)N 271570a_203496583355_100015195136 [0,1,0,1,0,0|2,0,0]=4 513 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [0,1,0,1,0,0|1,0,1]=4 514 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [0,1,0,1,0,0|1,0,1]=4 515 B10R1.176 COc1ccc(c(n1)C)O 271570a_203496583355_100000766551 [0,1,0,1,0,0|2,0,0]=4 516 B10R1.176 COc1ccc(c(n1)F)O 271570a_203496583355_100010067559 [0,1,0,1,0,0|2,0,0]=4 517 B10R1.176 COc1ccc(c(n1)N)O 271570a_203496583355_100010187629 [0,1,0,1,0,0|2,0,0]=4 518 B10R1.176 COc1ccc(c(n1)O)N 271570a_203496583355_100000069805 [0,1,0,1,0,0|2,0,0]=4 519 B10R1.176 COc1cnc(c(c1)C)O 271570a_203496583355_200009851512 [0,1,0,1,0,0|2,0,0]=4 520 B10R1.176 COc1cnc(c(c1)N)O 271570a_203496583355_100010074831 [0,1,0,1,0,0|2,0,0]=4 521 B10R1.118 Cc1cc(=O)n(nc1O)C 271570a_203496583355_100010988965 [0,1,0,1,0,0|2,0,0]=4 522 B10R1.1 CCOc1ccc(=O)[nH]c1 34a_100000075641_100000210202 [0,1,0,1,0,0|2,0,0]=4 523 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [0,1,0,1,0,0|2,0,0]=4 524 B10R1.1 CCOc1ccc(cn1)O 271570a_203496583355_100011219444 [0,1,0,1,0,0|2,0,0]=4 525 B10R1.1 CCOc1ccc(nc1)O 271570a_203496583355_100000753957 [0,1,0,1,0,0|2,0,0]=4 526 B10R1.1 CCOc1ccc(nn1)O 271570a_203496583355_100000757289 [0,1,0,1,0,0|2,0,0]=4 527 B10R1.1 COCc1ccc(=O)[nH]c1 34a_100011999846_200000210301 [0,1,0,1,0,0|2,0,0]=4 528 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [0,1,0,1,0,0|2,0,0]=4 529 B10R1.1 O=c1ccc(c[nH]1)OCF 34a_100000075641_100015361967 [0,1,0,1,0,0|2,0,0]=4 530 B10R1.1 [13CH3]OCc1ccc(=O)[nH]c1 34a_100011999846_200025704644 [0,1,0,1,0,0|2,0,0]=4 531 B10R1.30 CCn1cc(ccc1=O)O 271570a_203496583355_100000231005 [0,1,0,1,0,0|2,0,0]=4 532 B10R1.30 COc1cc(c[nH]c1=O)O 271570a_203496583355_100010125397 [0,1,0,1,0,0|2,0,0]=4 533 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [0,1,0,1,0,0|2,0,0]=4 534 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [0,1,0,1,0,0|2,0,0]=4 535 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [0,1,0,1,0,0|2,0,0]=4 536 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [0,1,0,1,0,0|2,0,0]=4 537 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [0,1,0,1,0,0|2,0,0]=4 538 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [0,1,0,1,0,0|1,0,1]=4 539 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [0,1,0,1,0,0|1,0,1]=4 540 B10R1.30 COc1nc(ccc1N)O 271570a_203496583355_100000687816 [0,1,0,1,0,0|2,0,0]=4 541 B10R1.30 COc1nc(ccc1O)O 271570a_203496583355_100010893133 [0,1,0,1,0,0|1,0,1]=4 542 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,0,0,0,1,0|2,0,0]=4 543 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,0,0,0,1,0|2,0,0]=4 544 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,0,0,0,1,0|2,0,0]=4 545 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,0,0,0,1,0|2,0,0]=4 546 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,0,0,0,1,0|2,0,0]=4 547 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,0,0,0,1,0|2,0,0]=4 548 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [1,0,0,0,1,0|2,0,0]=4 549 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,0,0,0,1,0|1,0,1]=4 550 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,0,0,0,1,0|1,0,1]=4 551 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,0,0,0,1,0|0,0,2]=4 552 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [1,0,0,0,1,0|2,0,0]=4 553 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,0,0,0,1,0|1,0,1]=4 554 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,0,0,0,2,0|2,0,0]=4 555 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,0,0,0,2,0|2,0,0]=4 556 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,0,0,0,2,0|2,0,0]=4 557 B10R0.55 COC(=O)CC=NNC(=O)C 4a_100000189765_200011552997 [0,0,0,0,0,2|1,0,1]=4 558 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [0,0,0,0,0,2|0,0,2]=4 559 B10R0.55 COC(=O)CNOCC(=O)O 269956a_100000106656_100000747449 [0,0,0,0,0,2|0,0,2]=4