0 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.48 CCNC(=O)CNC(=O)N 240690a_100015525214_100000184981 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.48 CCNC(=O)CNC(=O)N 527a_100015525214_100000184981 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.48 CCNC(=O)CSC(=O)N 240690a_100015525214_200015941356 [0,0,0,0,0,0|3,0,1]=4 37 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.48 CCNC(=O)NNC(=O)C 273464a_100015525214_100000189765 [0,0,0,0,0,0|4,0,0]=4 42 B9R0.48 CCNC(=O)NNC(=O)C 512a_100000189765_100015525214 [0,0,0,0,0,0|4,0,0]=4 43 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,0,0,0,0,0|1,0,0]=1 44 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,0,0,0,0,0|1,0,0]=1 45 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,0,0,0,0,0|1,0,2]=3 46 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,0,0,0,0,0|1,0,2]=3 47 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,0,0,0,0,0|2,0,1]=3 48 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,0,0,0,0,0|2,0,1]=3 49 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,0,0,0,0,0|2,0,1]=3 50 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [1,0,0,0,0,0|2,0,0]=3 54 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [1,0,0,0,0,0|3,0,0]=4 55 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [1,0,0,0,0,0|3,0,0]=4 56 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [1,0,0,0,0,0|3,0,0]=4 57 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,0,0,0,0,0|2,0,1]=4 59 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [1,0,0,0,0,0|2,0,1]=4 65 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [1,0,0,0,0,0|3,0,0]=4 66 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [1,0,0,0,0,0|3,0,0]=4 67 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,0,0,0,0,0|2,0,1]=4 68 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,0,0,0,0,0|2,0,1]=4 69 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,0,0,0,0,0|2,0,1]=4 70 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.7 CCOC/C=C/B(O)O 34a_100121572206_100016262062 [1,0,0,0,0,0|1,0,2]=4 72 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [1,0,0,0,0,0|1,0,2]=4 73 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [1,0,0,0,0,0|2,0,1]=4 74 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [1,0,0,0,0,0|2,0,1]=4 75 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [1,0,0,0,0,0|2,0,1]=4 76 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,0,0,0,0,0|2,0,1]=4 77 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,0,0,0,0,0|2,0,1]=4 78 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,0,0,0,0,0|1,0,2]=4 79 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,0,0,0,0,0|2,0,1]=4 80 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [1,0,0,0,0,0|2,0,1]=4 81 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,0,0,0,0,0|2,0,1]=4 82 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,0,0,0,0,0|2,0,1]=4 83 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [1,0,0,0,0,0|2,0,1]=4 84 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [1,0,0,0,0,0|2,0,1]=4 85 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [1,0,0,0,0,0|2,0,1]=4 86 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [1,0,0,0,0,0|2,0,1]=4 88 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [1,0,0,0,0,0|3,0,0]=4 89 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [1,0,0,0,0,0|3,0,0]=4 90 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [1,0,0,0,0,0|2,0,0]=3 91 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [1,0,0,0,0,0|2,0,0]=3 92 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,0,0,0,0,0|1,0,2]=4 93 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,0,0,0,0,0|1,0,2]=4 94 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [1,0,0,0,0,0|2,0,1]=4 95 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [1,0,0,0,0,0|2,0,1]=4 96 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [1,0,0,0,0,0|2,0,1]=4 97 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [0,1,0,0,0,0|2,0,1]=4 98 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,1,0,0,0,0|2,0,1]=4 99 B10R0.26 CCOC(=O)CC(=O)C(O)O 1458a_100000233687_100000188475 [0,1,0,0,0,0|0,0,3]=4 100 B10R0.26 CCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000188475 [0,1,0,0,0,0|1,0,2]=4 101 B10R0.26 CCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000188475 [0,1,0,0,0,0|1,0,2]=4 102 B10R0.26 CCOC(=O)CC(C)C(=O)C 1458a_100000070787_100009817359 [0,1,0,0,0,0|1,0,2]=4 103 B10R0.26 CCOC(=O)CN(C)C(=O)C 11a_100000220588_100015343762 [0,1,0,0,0,0|2,0,1]=4 104 B10R0.26 CCOC(=O)CN(C)C(=O)C 1626a_100000220588_100015343762 [0,1,0,0,0,0|2,0,1]=4 105 B10R0.26 CCOC(=O)CN(C)C(=O)C 240690a_100000220588_100015343762 [0,1,0,0,0,0|2,0,1]=4 106 B10R0.26 CCOC(=O)CN(C)C(=O)C 527a_100000220588_100103153847 [0,1,0,0,0,0|2,0,1]=4 107 B10R0.32 C=C(NC(=O)C)C(=O)NCC 240690a_100015525214_100000758921 [0,1,0,0,0,0|3,0,0]=4 108 B10R0.32 CCNC(=O)C(=O)CC(=O)N 1458a_200011297158_100000187820 [0,1,0,0,0,0|2,0,1]=4 109 B10R0.32 CCNC(=O)C(=O)CC(=O)[O-] 1458a_200011297158_100020667443 [0,1,0,0,0,0|1,0,2]=4 110 B10R0.32 CCOC(=O)[C@@H](C)NC(=O)C 188690a_100016988386_100015343762 [0,1,0,0,0,0|2,0,1]=4 111 B10R0.78 C#CCNC(=O)C=CC(=O)C 1458a_100011218889_200000210301 [0,1,0,0,0,0|2,0,1]=4 112 B10R0.78 C#CCNC(=O)C=CC(=O)[13CH3] 1458a_100011218889_200025704644 [0,1,0,0,0,0|2,0,1]=4 113 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [0,1,0,0,0,0|2,0,1]=4 114 B10R0.78 CCNCC(=O)NCC(=O)O 269956a_100000183575_100000210202 [0,1,0,0,0,0|2,0,1]=4 115 B10R0.78 CCOCC(=O)CC=C(C)C 1458a_100000211967_100000761012 [0,1,0,0,0,0|2,0,1]=4 116 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,1,0,0,0,0|2,0,1]=4 117 B10R0.78 CCOCC(=O)NCC(=O)N 11a_100000711301_100000211967 [0,1,0,0,0,0|2,0,1]=4 118 B10R0.78 CCOCC(=O)NCC(=O)N 240690a_100000711301_100000211967 [0,1,0,0,0,0|2,0,1]=4 119 B10R0.78 CCOCC(=O)NCC(=O)N 527a_100000711301_100000211967 [0,1,0,0,0,0|2,0,1]=4 120 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000189765_100000211967 [0,1,0,0,0,0|3,0,0]=4 121 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000216846_100000070787 [0,1,0,0,0,0|3,0,0]=4 122 B10R0.78 CNCCC(=O)NCC(=O)O 269956a_100000722369_200000210301 [0,1,0,0,0,0|2,0,1]=4 123 B10R0.78 [13CH3]NCCC(=O)NCC(=O)O 269956a_100000722369_200025704644 [0,1,0,0,0,0|2,0,1]=4 124 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,1,0,0,0,0|1,0,2]=4 125 B10R0.96 CC(=O)COC(=O)OC(C)C 1458a_100000070787_100000003507 [0,1,0,0,0,0|2,0,1]=4 126 B10R0.108 CC=C(C)C=CC(=O)CCC 1458a_100000692105_100000210303 [0,1,0,0,0,0|3,0,0]=4 127 B10R0.108 CCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210303 [0,1,0,0,0,0|2,0,0]=3 128 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,1,0,0,0,0|1,0,2]=4 129 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [0,1,0,0,0,0|2,0,1]=4 130 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [0,1,0,0,0,0|2,0,1]=4 131 B10R0.108 CCCC(=O)NNC(=O)CO 22a_100000189770_100000210174 [0,1,0,0,0,0|3,0,0]=4 132 B10R0.108 CCCC(=O)OCC(=O)CO 1458a_100000210174_100000034017 [0,1,0,0,0,0|2,0,1]=4 133 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,1,0,0,0,0|1,0,2]=4 134 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,1,0,0,0,0|1,0,2]=4 135 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,1,0,0,0,0|1,0,2]=4 136 B10R0.108 CCNC(=O)CNC(=O)CO 240690a_100016988866_100000210174 [0,1,0,0,0,0|2,0,1]=4 137 B10R0.108 CCNC(=O)CNC(=O)CO 527a_100016988866_100000210174 [0,1,0,0,0,0|2,0,1]=4 138 B10R0.108 CCNC(=O)CNC(=O)OC 11a_100015525214_100000215747 [0,1,0,0,0,0|2,0,1]=4 139 B10R0.108 CCNC(=O)CNC(=O)OC 240690a_100015525214_100000215747 [0,1,0,0,0,0|2,0,1]=4 140 B10R0.108 CCNC(=O)CNC(=O)OC 527a_100015525214_100000215747 [0,1,0,0,0,0|2,0,1]=4 141 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [0,1,0,0,0,0|1,0,0]=2 142 B10R0.108 CCOC(=O)C=CC(=O)CF 1458a_100000210415_100015361967 [0,1,0,0,0,0|1,0,0]=2 143 B10R0.108 CCOC(=O)C=CC(=O)NC 1626a_100102657272_100000210415 [0,1,0,0,0,0|1,0,0]=2 144 B10R0.108 CCOC(=O)C=CC(=O)NC 240690a_100102657272_100000210415 [0,1,0,0,0,0|1,0,0]=2 145 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,1,0,0,0,0|1,0,2]=4 146 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,1,0,0,0,0|1,0,2]=4 147 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,1,0,0,0,0|1,0,2]=4 148 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,1,0,0,0,0|1,0,2]=4 149 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,1,0,0,0,0|1,0,2]=4 150 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,1,0,0,0,0|2,0,1]=4 151 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [0,1,0,0,0,0|1,0,1]=3 152 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,1,0,0,0,0|2,0,1]=4 153 B10R0.108 CCOC(=O)NCC(=O)CF 1458a_100000190774_100015361967 [0,1,0,0,0,0|2,0,1]=4 154 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [0,1,0,0,0,0|2,0,1]=4 155 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [0,1,0,0,0,0|2,0,1]=4 156 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [0,1,0,0,0,0|2,0,1]=4 157 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [0,1,0,0,0,0|2,0,1]=4 158 B10R0.108 CNC(=O)C=CC(=O)CCF 1458a_100016259477_100011217306 [0,1,0,0,0,0|3,0,0]=4 159 B10R0.108 CNC(=O)C=CC(=O)CCO 1458a_100016259477_100000211926 [0,1,0,0,0,0|3,0,0]=4 160 B10R0.108 CNNC(=O)C=CC(=O)NC 22a_100016993582_100016259477 [0,1,0,0,0,0|3,0,0]=4 161 B10R0.108 CNNC(=O)C=CC(=O)OC 22a_100016993582_100016283253 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [0,0,0,1,0,0|3,0,0]=4 163 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [0,0,0,1,0,0|3,0,0]=4 164 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [0,0,0,1,0,0|3,0,0]=4 165 B10R1.1 CCNc1ccc(cn1)O 271570a_203496583355_100000741496 [0,0,0,1,0,0|3,0,0]=4 166 B10R1.1 CCNc1ccc(nn1)O 271570a_203496583355_100000215268 [0,0,0,1,0,0|3,0,0]=4 167 B10R1.1 CCOc1ccc(=O)[nH]c1 34a_100000075641_100000210202 [0,0,0,1,0,0|2,0,0]=3 168 B10R1.1 CCOc1ccc(cc1)Br 34a_100000185759_100000210202 [0,0,0,1,0,0|3,0,0]=4 169 B10R1.1 CCOc1ccc(cc1)Br 7a_100000185759_100000210202 [0,0,0,1,0,0|3,0,0]=4 170 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [0,0,0,1,0,0|3,0,0]=4 171 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [0,0,0,1,0,0|3,0,0]=4 172 B10R1.1 CCOc1ccc(cc1)Cl 34a_100000210216_100000210202 [0,0,0,1,0,0|3,0,0]=4 173 B10R1.1 CCOc1ccc(cc1)Cl 7a_100000210216_100000210202 [0,0,0,1,0,0|3,0,0]=4 174 B10R1.1 CCOc1ccc(cc1)F 34a_100000210339_100000210202 [0,0,0,1,0,0|3,0,0]=4 175 B10R1.1 CCOc1ccc(cc1)I 34a_100000212066_100000210202 [0,0,0,1,0,0|3,0,0]=4 176 B10R1.1 CCOc1ccc(cc1)I 7a_100000212066_100000210202 [0,0,0,1,0,0|3,0,0]=4 177 B10R1.1 CCOc1ccc(cc1)N 34a_100000185829_100000210202 [0,0,0,1,0,0|3,0,0]=4 178 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [0,0,0,1,0,0|2,0,0]=3 179 B10R1.1 CCOc1ccc(cn1)C 34a_100000759353_100000210202 [0,0,0,1,0,0|3,0,0]=4 180 B10R1.1 CCOc1ccc(cn1)Cl 34a_100011215309_100000210202 [0,0,0,1,0,0|3,0,0]=4 181 B10R1.1 CCOc1ccc(cn1)F 34a_100000742473_100000210202 [0,0,0,1,0,0|3,0,0]=4 182 B10R1.1 CCOc1ccc(cn1)N 34a_100000729260_100000210202 [0,0,0,1,0,0|3,0,0]=4 183 B10R1.1 CCOc1ccc(cn1)O 271570a_203496583355_100011219444 [0,0,0,1,0,0|2,0,0]=3 184 B10R1.1 CCOc1ccc(nc1)Br 34a_100000685995_100000210202 [0,0,0,1,0,0|3,0,0]=4 185 B10R1.1 CCOc1ccc(nc1)Br 7a_100000685995_100000210202 [0,0,0,1,0,0|3,0,0]=4 186 B10R1.1 CCOc1ccc(nc1)C 34a_100000745506_100000210202 [0,0,0,1,0,0|3,0,0]=4 187 B10R1.1 CCOc1ccc(nc1)C 7a_100000745506_100000210202 [0,0,0,1,0,0|3,0,0]=4 188 B10R1.1 CCOc1ccc(nc1)Cl 34a_100000744096_100000210202 [0,0,0,1,0,0|3,0,0]=4 189 B10R1.1 CCOc1ccc(nc1)Cl 7a_100000744096_100000210202 [0,0,0,1,0,0|3,0,0]=4 190 B10R1.1 CCOc1ccc(nc1)F 34a_100000688820_100000210202 [0,0,0,1,0,0|3,0,0]=4 191 B10R1.1 CCOc1ccc(nc1)F 7a_100000688820_100000210202 [0,0,0,1,0,0|3,0,0]=4 192 B10R1.1 CCOc1ccc(nc1)I 34a_100000687607_100000210202 [0,0,0,1,0,0|3,0,0]=4 193 B10R1.1 CCOc1ccc(nc1)I 7a_100000687607_100000210202 [0,0,0,1,0,0|3,0,0]=4 194 B10R1.1 CCOc1ccc(nc1)N 34a_100015188713_100000210202 [0,0,0,1,0,0|3,0,0]=4 195 B10R1.1 CCOc1ccc(nc1)N 7a_100015188713_100000210202 [0,0,0,1,0,0|3,0,0]=4 196 B10R1.1 CCOc1ccc(nc1)O 271570a_203496583355_100000753957 [0,0,0,1,0,0|2,0,0]=3 197 B10R1.1 CCOc1ccc(nn1)O 271570a_203496583355_100000757289 [0,0,0,1,0,0|2,0,0]=3 198 B10R1.1 CCOc1cnc(cn1)O 271570a_203496583355_200012356188 [0,0,0,1,0,0|3,0,0]=4 199 B10R1.1 CCOc1cnc(nc1)O 271570a_203496583355_100000099823 [0,0,0,1,0,0|3,0,0]=4 200 B10R1.1 CCOc1ncc(cn1)O 271570a_203496583355_100011934766 [0,0,0,1,0,0|3,0,0]=4 201 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000210202_100000212171 [0,0,0,1,0,0|2,1,0]=4 202 B10R1.1 CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210202 [0,0,0,1,0,0|2,1,0]=4 203 B10R1.1 CCSc1ccc(=O)[nH]n1 62a_100000210202_100009820020 [0,0,0,1,0,0|2,1,0]=4 204 B10R1.1 CCSc1ccc(=O)[nH]n1 62a_100009820020_100000210202 [0,0,0,1,0,0|2,1,0]=4 205 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [0,0,0,1,0,0|2,1,0]=4 206 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [0,0,0,1,0,0|2,1,0]=4 207 B10R1.1 CCSc1ccc(cn1)O 271570a_203496583355_100000690189 [0,0,0,1,0,0|2,1,0]=4 208 B10R1.1 CCSc1ccc(cn1)O 62a_100000210202_100000744096 [0,0,0,1,0,0|2,1,0]=4 209 B10R1.1 CCSc1ccc(cn1)O 62a_100000685995_100000210202 [0,0,0,1,0,0|2,1,0]=4 210 B10R1.1 O=c1ccc(c[nH]1)OCF 34a_100000075641_100015361967 [0,0,0,1,0,0|3,0,0]=4 211 B10R1.30 CCc1cc(ccc1Br)O 271570a_203496583355_100010244631 [0,0,0,1,0,0|3,0,0]=4 212 B10R1.30 CCc1cc(ccc1F)O 271570a_203496583355_100010244625 [0,0,0,1,0,0|3,0,0]=4 213 B10R1.30 CCc1cc(ccc1N)O 271570a_203496583355_100000686106 [0,0,0,1,0,0|3,0,0]=4 214 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [0,0,0,1,0,0|2,0,1]=4 215 B10R1.30 CCc1nc(ccc1N)O 271570a_203496583355_100009871203 [0,0,0,1,0,0|3,0,0]=4 216 B10R1.30 CCn1cc(ccc1=O)O 271570a_203496583355_100000231005 [0,0,0,1,0,0|2,0,0]=3 217 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [0,0,0,1,0,0|2,0,1]=4 218 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [0,0,0,1,0,0|2,0,1]=4 219 B10R1.66 CC(=O)C=CC1=CCCC1 1458a_100016262312_200000210301 [0,0,0,1,0,0|3,0,0]=4 220 B10R1.66 [13CH3]C(=O)C=CC1=CCCC1 1458a_100016262312_200025704644 [0,0,0,1,0,0|3,0,0]=4 221 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [0,0,0,1,0,0|2,0,1]=4 222 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [0,0,0,1,0,0|2,0,1]=4 223 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [0,0,0,1,0,0|2,0,1]=4 224 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,0,0,0,1,0|3,0,0]=4 225 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,0,0,0,1,0|3,0,0]=4 226 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,0,0,0,1,0|3,0,0]=4 227 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,0,0,0,1,0|3,0,0]=4 228 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,0,0,0,1,0|3,0,0]=4 229 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [0,0,0,0,1,0|3,0,0]=4 230 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,0,0,1,0|2,0,1]=4 231 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,0,0,0,1,0|2,0,1]=4 232 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,0,0,0,1,0|2,0,1]=4 233 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,0,0,0,1,0|1,0,2]=4 234 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,0,0,0,1,0|3,0,0]=4 235 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,0,0,0,1,0|3,0,0]=4 236 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,0,0,0,1,0|3,0,0]=4 237 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,0,0,0,1,0|3,0,0]=4 238 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,0,0,0,1,0|3,0,0]=4 239 B8R0.5 CCNC(=O)C=C(Cl)Cl 240690a_100015525214_100000137448 [0,0,0,0,1,0|3,0,0]=4 240 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,0,0,0,1,0|2,0,1]=4 241 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,0,0,0,1,0|2,0,1]=4 242 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,0,0,0,1,0|2,0,1]=4 243 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,0,0,0,1,0|1,0,1]=3 244 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,0,0,0,1,0|1,0,1]=3 245 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,0,0,0,1,0|1,0,1]=3 246 B10R0.3 CCCC(=O)C/C=C/B(O)O 1458a_100000211992_100016262062 [0,0,0,0,0,1|2,0,1]=4 247 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,0,0,0,0,1|1,0,2]=4 248 B10R0.3 CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183381 [0,0,0,0,0,1|1,0,2]=4 249 B10R0.3 CCOC(=O)/C=C/CN(C)C 2230a_100102631434_100016267167 [0,0,0,0,0,1|3,0,0]=4 250 B10R0.3 CCOC(=O)/C=C/CN(C)C 269982a_100102631434_100016267167 [0,0,0,0,0,1|3,0,0]=4 251 B10R0.3 CCOC(=O)C=NNC(=O)C 4a_100000189765_100000742314 [0,0,0,0,0,1|2,0,0]=3 252 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,0,0,0,0,1|1,0,2]=4 253 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,0,0,0,0,1|1,0,2]=4 254 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,0,0,0,0,1|1,0,2]=4 255 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,0,0,0,0,1|1,0,2]=4 256 B10R0.3 CCOC(=O)CNCC(=O)N 2230a_100000711301_100000188475 [0,0,0,0,0,1|1,0,2]=4 257 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,0,0,0,0,1|0,0,2]=3 258 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,0,0,0,0,1|1,0,2]=4 259 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000188475_100000747473 [0,0,0,0,0,1|1,0,2]=4 260 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000747473_100000188475 [0,0,0,0,0,1|1,0,2]=4 261 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100000188475_100020667443 [0,0,0,0,0,1|0,0,3]=4 262 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000188475 [0,0,0,0,0,1|0,0,3]=4 263 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,0,0,0,0,1|1,0,2]=4 264 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [2,0,0,0,0,0|1,0,1]=4 265 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [2,0,0,0,0,0|1,0,0]=3 266 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [2,0,0,0,0,0|2,0,0]=4 267 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [2,0,0,0,0,0|2,0,0]=4 268 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [2,0,0,0,0,0|1,0,1]=4 269 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [2,0,0,0,0,0|1,0,1]=4 270 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [2,0,0,0,0,0|2,0,0]=4 271 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [2,0,0,0,0,0|1,0,1]=4 272 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [2,0,0,0,0,0|1,0,1]=4 273 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [2,0,0,0,0,0|1,0,1]=4 274 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [2,0,0,0,0,0|1,0,1]=4 275 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [2,0,0,0,0,0|1,0,1]=4 276 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [2,0,0,0,0,0|1,0,1]=4 277 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [2,0,0,0,0,0|1,0,1]=4 278 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [2,0,0,0,0,0|1,0,1]=4 279 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [2,0,0,0,0,0|1,0,1]=4 280 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [2,0,0,0,0,0|2,0,0]=4 281 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [2,0,0,0,0,0|2,0,0]=4 282 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [2,0,0,0,0,0|2,0,0]=4 283 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [2,0,0,0,0,0|2,0,0]=4 284 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [2,0,0,0,0,0|2,0,0]=4 285 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [2,0,0,0,0,0|2,0,0]=4 286 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [2,0,0,0,0,0|1,0,1]=4 287 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [2,0,0,0,0,0|1,0,1]=4 288 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [2,0,0,0,0,0|1,0,1]=4 289 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [2,0,0,0,0,0|1,0,1]=4 290 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [2,0,0,0,0,0|1,0,1]=4 291 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [2,0,0,0,0,0|1,0,1]=4 292 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [2,0,0,0,0,0|1,0,1]=4 293 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [2,0,0,0,0,0|1,0,0]=3 294 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [2,0,0,0,0,0|1,0,0]=3 295 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [2,0,0,0,0,0|1,0,1]=4 296 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [2,0,0,0,0,0|1,0,1]=4 297 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [1,1,0,0,0,0|2,0,0]=4 298 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [1,1,0,0,0,0|2,0,0]=4 299 B9R0.4 C=CC=CC(=O)NC(C)C 1626a_100138425928_100016291481 [1,1,0,0,0,0|2,0,0]=4 300 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [1,1,0,0,0,0|2,0,0]=4 301 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [1,1,0,0,0,0|2,0,0]=4 302 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [1,1,0,0,0,0|2,0,0]=4 303 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [1,1,0,0,0,0|1,0,1]=4 304 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [1,1,0,0,0,0|1,0,1]=4 305 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [1,1,0,0,0,0|1,0,1]=4 306 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [1,1,0,0,0,0|1,0,1]=4 307 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [1,1,0,0,0,0|1,0,1]=4 308 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [1,1,0,0,0,0|1,0,1]=4 309 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [1,1,0,0,0,0|0,0,1]=3 310 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [1,1,0,0,0,0|0,1,1]=4 311 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [1,1,0,0,0,0|0,1,1]=4 312 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [1,1,0,0,0,0|0,1,1]=4 313 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [1,1,0,0,0,0|0,1,1]=4 314 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [1,1,0,0,0,0|0,0,2]=4 315 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [1,1,0,0,0,0|0,0,2]=4 316 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [1,1,0,0,0,0|2,0,0]=4 317 B9R0.8 C=CC=CC(=O)N(C)CC 1626a_100000225621_100016291481 [1,1,0,0,0,0|2,0,0]=4 318 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [1,1,0,0,0,0|1,0,1]=4 319 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [1,1,0,0,0,0|2,0,0]=4 320 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [1,1,0,0,0,0|2,0,0]=4 321 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [1,1,0,0,0,0|2,0,0]=4 322 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [1,1,0,0,0,0|2,0,0]=4 323 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [1,1,0,0,0,0|2,0,0]=4 324 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [1,1,0,0,0,0|2,0,0]=4 325 B9R0.18 C=CC=CC(=O)NCCF 1626a_100000724931_100016291481 [1,1,0,0,0,0|2,0,0]=4 326 B9R0.18 C=CC=CC(=O)NNCC 22a_100000756455_100016291481 [1,1,0,0,0,0|2,0,0]=4 327 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [1,1,0,0,0,0|1,0,1]=4 328 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [1,1,0,0,0,0|1,0,1]=4 329 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [1,1,0,0,0,0|0,0,2]=4 330 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [1,1,0,0,0,0|2,0,0]=4 331 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [1,1,0,0,0,0|2,0,0]=4 332 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [1,1,0,0,0,0|1,0,1]=4 333 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [1,1,0,0,0,0|0,0,1]=3 334 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [1,1,0,0,0,0|0,1,1]=4 335 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [1,1,0,0,0,0|0,1,1]=4 336 B9R0.7 CC(=O)C=CC(=O)N(C)C 1458a_100011200747_200000210301 [1,1,0,0,0,0|2,0,0]=4 337 B9R0.7 CN(C)C(=O)C=CC(=O)[13CH3] 1458a_100011200747_200025704644 [1,1,0,0,0,0|2,0,0]=4 338 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [1,1,0,0,0,0|2,0,0]=4 339 B9R0.24 CCC(=O)C=CC(=O)NC 1458a_100016259477_100000210202 [1,1,0,0,0,0|1,0,0]=3 340 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [1,1,0,0,0,0|0,0,2]=4 341 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [1,1,0,0,0,0|1,0,1]=4 342 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [1,1,0,0,0,0|1,0,1]=4 343 B9R0.24 CCC(=O)NNC(=O)CO 22a_100000183195_100000210174 [1,1,0,0,0,0|2,0,0]=4 344 B9R0.24 CNC(=O)C=CC(=O)CF 1458a_100016259477_100015361967 [1,1,0,0,0,0|2,0,0]=4 345 B9R0.24 CNC(=O)C=CC(=O)NC 1626a_100102657272_100016259477 [1,1,0,0,0,0|2,0,0]=4 346 B9R0.24 CNC(=O)C=CC(=O)OC 1626a_100102657272_100016283253 [1,1,0,0,0,0|1,0,0]=3 347 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [1,1,0,0,0,0|1,0,1]=4 348 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [1,1,0,0,0,0|1,0,1]=4 349 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,1,0,0,1,0|1,0,1]=4 350 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,1,0,0,1,0|1,0,1]=4 351 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,1,0,0,1,0|1,0,1]=4 352 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,1,0,0,1,0|1,0,1]=4 353 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,1,0|1,0,1]=4 354 B11R0.1 CCOC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000188475 [0,1,0,0,0,1|2,0,0]=4 355 B11R0.1 CCOC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000188475 [0,1,0,0,0,1|2,0,0]=4 356 B11R0.1 CCOC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000188475 [0,1,0,0,0,1|2,0,0]=4 357 B11R0.1 CCOC(=O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000188475 [0,1,0,0,0,1|2,0,0]=4 358 B11R0.1 CCOC(=O)CC(=O)CC(=O)N 1458a_100000243816_100000187820 [0,1,0,0,0,1|1,0,1]=4 359 B11R0.1 CCOC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000188475 [0,1,0,0,0,1|1,0,1]=4 360 B11R0.1 CCOC(=O)CC(=O)CC(=O)[O-] 1458a_100000243816_100020667443 [0,1,0,0,0,1|0,0,2]=4 361 B11R0.1 CCOC(=O)CN(C)CC(=O)O 269956a_100000746989_100000188475 [0,1,0,0,0,1|0,0,2]=4 362 B11R0.1 CCOC(=O)NC(=O)CC(=O)C 1458a_100000070787_100000010344 [0,1,0,0,0,1|1,0,1]=4 363 B11R0.6 CC(C)OC(=O)CNCC(=O)O 269956a_100016091260_100011215430 [0,1,0,0,0,1|0,0,2]=4 364 B11R0.59 CCOC(=O)C(=NNC(=O)C)C 4a_100000189765_100000209952 [0,1,0,0,0,1|2,0,0]=4 365 B11R0.59 CCOC(=O)C(=O)NCC(=O)N 11a_100000711301_100014798877 [0,1,0,0,0,1|1,0,1]=4 366 B11R0.59 CCOC(=O)C(=O)NCC(=O)N 240690a_100000711301_100014798877 [0,1,0,0,0,1|1,0,1]=4 367 B11R0.141 CCOC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000188475 [0,1,0,0,0,1|0,0,2]=4 368 B11R0.147 CCCOC(=O)CNCC(=O)O 269956a_100016091260_200011215008 [0,1,0,0,0,1|0,0,2]=4 369 B11R0.147 CCOCC(=O)C/C=C/B(O)O 1458a_100000211967_100016262062 [0,1,0,0,0,1|1,0,1]=4 370 B11R0.174 CCCC(=O)NN=CC(=O)OC 4a_100000189770_200011823558 [0,1,0,0,0,1|2,0,0]=4 371 B11R0.174 CCOC(=O)C=NNC(=O)CC 4a_100000183195_100000742314 [0,1,0,0,0,1|2,0,0]=4 372 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,1,0,0,0,1|0,0,2]=4 373 B11R0.174 CCOC(=O)CCNC(=O)CO 188690a_100000746078_100000210174 [0,1,0,0,0,1|0,0,2]=4 374 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000188475_100000747449 [0,1,0,0,0,1|0,0,2]=4 375 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000747449_100000188475 [0,1,0,0,0,1|0,0,2]=4 376 B11R0.174 CCOC(=O)NCCC(=O)CO 1458a_100000210174_200011445536 [0,1,0,0,0,1|0,0,2]=4 377 B11R0.163 CCOCC(=O)CC(=O)C(=O)C 1458a_100000211967_100011261029 [0,2,0,0,0,0|1,0,1]=4 378 B11R0.187 C=C(CC(=O)OCC)C(=O)NC 1626a_100102657272_200000043866 [0,2,0,0,0,0|1,0,1]=4 379 B11R0.187 CCOC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000188475 [0,2,0,0,0,0|1,0,1]=4 380 B11R0.187 CCOC(=O)CC(C)C(=O)CO 1458a_100000210174_100009817359 [0,2,0,0,0,0|0,0,2]=4 381 B11R0.187 CCOC(=O)CN(C)C(=O)CO 240690a_100000220588_100000210174 [0,2,0,0,0,0|1,0,1]=4 382 B11R0.187 CCOC(=O)CN(C)C(=O)CO 527a_100000220588_100000210174 [0,2,0,0,0,0|1,0,1]=4 383 B11R0.43 CCNC(=O)C(=O)CC(=O)OC 1458a_200011297158_100000747449 [0,2,0,0,0,0|1,0,1]=4 384 B11R0.43 CCOC(=O)[C@@H](C)NC(=O)CO 188690a_100016988386_100000210174 [0,2,0,0,0,0|1,0,1]=4 385 B11R0.120 CCC(C)C(=O)C=CC(=O)NC 1458a_100016259477_100000758301 [0,2,0,0,0,0|2,0,0]=4 386 B11R0.120 CCN(C)C(=O)C=CC(=O)NC 1626a_100000225621_100016259477 [0,2,0,0,0,0|2,0,0]=4 387 B11R0.120 CCN(C)C(=O)C=CC(=O)OC 1626a_100000225621_100016283253 [0,2,0,0,0,0|1,0,0]=3 388 B11R0.70 C#CCNC(=O)C=CC(=O)OC 1626a_100000212058_100016283253 [0,2,0,0,0,0|1,0,1]=4 389 B11R0.70 C=CCNC(=O)C=CC(=O)OC 1626a_100020586998_100016283253 [0,2,0,0,0,0|1,0,1]=4 390 B11R0.70 C=CCOC(=O)C=CC(=O)NC 1626a_100102657272_200011996189 [0,2,0,0,0,0|1,0,1]=4 391 B11R0.70 C=CCOC(=O)C=CC(=O)NC 240690a_100102657272_200011996189 [0,2,0,0,0,0|1,0,1]=4 392 B11R0.70 CCCCC(=O)C=CC(=O)NC 1458a_100016259477_100000210211 [0,2,0,0,0,0|2,0,0]=4 393 B11R0.70 CCCNC(=O)C=CC(=O)NC 1626a_100020643023_100016259477 [0,2,0,0,0,0|2,0,0]=4 394 B11R0.70 CCCNC(=O)C=CC(=O)OC 1626a_100020643023_100016283253 [0,2,0,0,0,0|1,0,0]=3 395 B11R0.70 CCCOC(=O)OCC(=O)CO 1458a_100000210174_200000139673 [0,2,0,0,0,0|1,0,1]=4 396 B11R0.70 CCNN=C(C)C=CC(=O)OC 4a_100000756455_100016258046 [0,2,0,0,0,0|2,0,0]=4 397 B11R0.70 CCNNC(=O)C=CC(=O)NC 22a_100000756455_100016259477 [0,2,0,0,0,0|2,0,0]=4 398 B11R0.70 CCNNC(=O)C=CC(=O)OC 22a_100000756455_100016283253 [0,2,0,0,0,0|1,0,0]=3 399 B11R0.70 CCOCC(=O)CCC(=O)OC 34a_100121572206_100000691467 [0,2,0,0,0,0|0,0,2]=4 400 B11R0.70 CCOCC(=O)NCC(=O)OC 188690a_100000185156_100000211967 [0,2,0,0,0,0|1,0,1]=4 401 B11R0.70 CCOCC(=O)NCC(=O)OC 34a_100121572206_100000182966 [0,2,0,0,0,0|1,0,1]=4 402 B11R0.70 CCOCC(=O)NNC(=O)CO 22a_100000216846_100000210174 [0,2,0,0,0,0|2,0,0]=4 403 B11R0.70 CNC(=O)C=CC(=O)CCCF 1458a_100016259477_100011934791 [0,2,0,0,0,0|2,0,0]=4 404 B11R0.70 CNC(=O)C=CC(=O)CCCO 1458a_100016259477_100011215043 [0,2,0,0,0,0|2,0,0]=4 405 B11R0.70 CNC(=O)C=CC(=O)CCOC 1458a_100016259477_100000233755 [0,2,0,0,0,0|2,0,0]=4 406 B11R0.70 CNC(=O)C=CC(=O)CCSC 1458a_100016259477_100000751147 [0,2,0,0,0,0|2,0,0]=4 407 B11R0.70 CNC(=O)C=CC(=O)NCCF 1626a_100000724931_100016259477 [0,2,0,0,0,0|2,0,0]=4 408 B11R0.70 COC(=O)C=CC(=O)NCC#N 1626a_100000734998_100016283253 [0,2,0,0,0,0|1,0,1]=4 409 B11R0.70 COC(=O)C=CC(=O)NCCF 1626a_100000724931_100016283253 [0,2,0,0,0,0|1,0,0]=3 410 B11R0.107 CC(C)OC(=O)CCC(=O)CO 1458a_100000210174_100000760027 [0,2,0,0,0,0|0,0,2]=4 411 B11R0.107 CC(C)OC(=O)OCC(=O)CO 1458a_100000210174_100000003507 [0,2,0,0,0,0|1,0,1]=4 412 B11R0.107 CNC(=O)C=CC(=O)CC(C)C 1458a_100016259477_100000210624 [0,2,0,0,0,0|2,0,0]=4 413 B11R0.107 CNC(=O)C=CC(=O)CC(C)O 1458a_100016259477_100011218427 [0,2,0,0,0,0|2,0,0]=4 414 B11R0.107 CNC(=O)C=CC(=O)NC(C)C 1626a_100138425928_100016259477 [0,2,0,0,0,0|2,0,0]=4 415 B11R0.107 CNC(=O)C=CC(=O)OC(C)C 1626a_100102657272_200016297642 [0,2,0,0,0,0|1,0,0]=3 416 B11R0.107 COC(=O)C=CC(=O)NC(C)C 1626a_100138425928_100016283253 [0,2,0,0,0,0|1,0,0]=3 417 B11R0.62 C#CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000184674 [0,2,0,0,0,0|1,0,0]=3 418 B11R0.62 C=CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210623 [0,2,0,0,0,0|1,0,0]=3 419 B11R0.62 CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210303 [0,2,0,0,0,0|1,0,0]=3 420 B11R0.62 CCNC(=O)C=CC(=O)OCC 240690a_100015525214_100000210415 [0,2,0,0,0,0|1,0,0]=3 421 B11R0.62 CCOC(=O)C=CC(=O)CC#N 1458a_100000210415_100011214920 [0,2,0,0,0,0|1,0,0]=3 422 B11R0.62 CCOC(=O)C=CC(=O)CCF 1458a_100000210415_100011217306 [0,2,0,0,0,0|1,0,0]=3 423 B11R0.62 CCOC(=O)C=CC(=O)CCO 1458a_100000210415_100000211926 [0,2,0,0,0,0|0,0,0]=2 424 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [0,2,0,0,0,0|0,0,2]=4 425 B11R0.62 CCOC(=O)CNC(=O)COC 188690a_100000741813_100000210968 [0,2,0,0,0,0|1,0,1]=4 426 B11R0.62 CCOC(=O)CNC(=O)COC 34a_100138415774_100011215850 [0,2,0,0,0,0|1,0,1]=4 427 B11R0.62 CCOC(=O)NCC(=O)CCO 1458a_100000190774_100000211926 [0,2,0,0,0,0|1,0,1]=4 428 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [1,0,0,1,0,0|1,1,0]=4 429 B9R1.7 CCOc1nc(cs1)O 271570a_203496583355_100011934640 [1,0,0,1,0,0|2,0,0]=4 430 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,0,0,1,0,0|2,0,0]=4 431 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,0,0,1,0,0|2,0,0]=4 432 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,0,0,1,0,0|2,0,0]=4 433 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,0,0,1,0,0|2,0,0]=4 434 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [1,0,0,1,0,0|2,0,0]=4 435 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [1,0,0,1,0,0|2,0,0]=4 436 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [1,0,0,1,0,0|2,0,0]=4 437 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [1,0,0,1,0,0|2,0,0]=4 438 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [1,0,0,1,0,0|2,0,0]=4 439 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [1,0,0,1,0,0|2,0,0]=4 440 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [1,0,0,1,0,0|2,0,0]=4 441 B9R1.1 COc1ccc(nn1)O 271570a_203496583355_100009819040 [1,0,0,1,0,0|2,0,0]=4 442 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [1,0,0,1,0,0|2,0,0]=4 443 B11R1.15 CCNC(=O)c1ccc(s1)O 271570a_203496583355_200000155171 [0,0,0,1,0,1|1,1,0]=4 444 B11R1.15 CCOC(=O)c1c[nH]c(n1)O 271570a_203496583355_100010231773 [0,0,0,1,0,1|1,0,0]=3 445 B11R1.15 CCOC(=O)c1cc([nH]n1)O 271570a_203496583355_100010743333 [0,0,0,1,0,1|2,0,0]=4 446 B11R1.15 CCOC(=O)c1cc(cs1)O 271570a_203496583355_100009815474 [0,0,0,1,0,1|1,0,0]=3 447 B11R1.15 CCOC(=O)c1ccc([nH]1)O 271570a_203496583355_200000687776 [0,0,0,1,0,1|1,0,0]=3 448 B11R1.15 CCOC(=O)c1ccc(o1)O 271570a_203496583355_200000170220 [0,0,0,1,0,1|0,0,1]=3 449 B11R1.15 CCOC(=O)c1ccc(s1)O 271570a_203496583355_100000172375 [0,0,0,1,0,1|0,1,0]=3 450 B11R1.15 CCOC(=O)c1cnc(o1)O 271570a_203496583355_100010205802 [0,0,0,1,0,1|0,0,1]=3 451 B11R1.15 CCOC(=O)c1cnc(s1)O 271570a_203496583355_100009814955 [0,0,0,1,0,1|0,1,0]=3 452 B11R1.15 CCOC(=O)c1coc(n1)O 271570a_203496583355_100011935043 [0,0,0,1,0,1|1,0,0]=3 453 B11R1.15 CCOC(=O)c1csc(c1)O 271570a_203496583355_100011228516 [0,0,0,1,0,1|1,0,0]=3 454 B11R1.15 CCOC(=O)c1csc(n1)O 271570a_203496583355_100009814092 [0,0,0,1,0,1|1,0,0]=3 455 B11R1.15 CCOC(=O)c1n[nH]c(n1)O 271570a_203496583355_100010232984 [0,0,0,1,0,1|2,0,0]=4 456 B11R1.15 CCOC(=O)c1nc(cs1)O 271570a_203496583355_200012359684 [0,0,0,1,0,1|1,0,0]=3 457 B11R1.15 CCOC(=O)c1nc(no1)O 271570a_203496583355_100010175899 [0,0,0,1,0,1|2,0,0]=4 458 B11R1.15 CCOC(=O)c1ncc([nH]1)O 271570a_203496583355_100010172669 [0,0,0,1,0,1|1,0,0]=3 459 B11R1.15 CCOC(=O)c1ncc(s1)O 271570a_203496583355_100012362614 [0,0,0,1,0,1|0,1,0]=3 460 B11R1.15 CCOC(=O)c1nnc(o1)O 271570a_203496583355_100010391765 [0,0,0,1,0,1|1,0,1]=4 461 B11R1.15 CCOC(=O)c1nnc(s1)O 271570a_203496583355_100010045175 [0,0,0,1,0,1|1,1,0]=4 462 B11R1.192 CCOc1cc(c(cn1)O)C 271570a_203496583355_200012351029 [0,1,0,1,0,0|2,0,0]=4 463 B11R1.192 CCOc1ccc(c(c1)C)O 271570a_203496583355_100012344538 [0,1,0,1,0,0|2,0,0]=4 464 B11R1.192 CCOc1ccc(c(c1)F)O 271570a_203496583355_100000692347 [0,1,0,1,0,0|2,0,0]=4 465 B11R1.192 CCOc1ccc(c(c1)O)C 271570a_203496583355_100011099959 [0,1,0,1,0,0|2,0,0]=4 466 B11R1.37 CCc1cc(ccc1C=O)O 271570a_203496583355_100010209654 [0,1,0,1,0,0|2,0,0]=4 467 B11R1.81 CCOc1ccc(cc1C)O 271570a_203496583355_100011308936 [0,1,0,1,0,0|2,0,0]=4 468 B11R1.81 CCOc1ccc(cc1F)O 271570a_203496583355_200000171753 [0,1,0,1,0,0|2,0,0]=4 469 B11R1.81 CCOc1ccc(cc1N)O 271570a_203496583355_100000751366 [0,1,0,1,0,0|2,0,0]=4 470 B11R1.81 CCOc1coc(cc1=O)C 34a_100000081520_100000210202 [0,1,0,1,0,0|2,0,0]=4 471 B11R1.81 CCOc1ncc(cc1C)O 271570a_203496583355_100012351028 [0,1,0,1,0,0|2,0,0]=4 472 B11R1.81 CCOc1ncc(cc1N)O 271570a_203496583355_100011433076 [0,1,0,1,0,0|2,0,0]=4 473 B11R1.1 CCCOc1ccc(=O)[nH]c1 34a_100000075641_100000210303 [0,1,0,1,0,0|2,0,0]=4 474 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [0,1,0,1,0,0|2,0,0]=4 475 B11R1.1 CCCOc1ccc(cn1)O 271570a_203496583355_100011465619 [0,1,0,1,0,0|2,0,0]=4 476 B11R1.1 CCCOc1ccc(nc1)O 271570a_203496583355_100000719977 [0,1,0,1,0,0|2,0,0]=4 477 B11R1.1 CCCOc1ccc(nn1)O 271570a_203496583355_200011279913 [0,1,0,1,0,0|2,0,0]=4 478 B11R1.1 CCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210202 [0,1,0,1,0,0|2,0,0]=4 479 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [0,1,0,1,0,0|2,0,0]=4 480 B11R1.1 CCOCc1ccc(nc1)O 271570a_203496583355_100011206209 [0,1,0,1,0,0|2,0,0]=4 481 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [0,1,0,1,0,0|2,0,0]=4 482 B11R1.1 COCOc1ccc(nc1)O 271570a_203496583355_100012568617 [0,1,0,1,0,0|2,0,0]=4 483 B11R1.1 CSCOc1ccc(=O)[nH]c1 34a_100000075641_100011218213 [0,1,0,1,0,0|2,0,0]=4 484 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [0,1,0,1,0,0|2,0,0]=4 485 B11R1.1 O=c1ccc(c[nH]1)OCCF 34a_100000075641_100011217306 [0,1,0,1,0,0|2,0,0]=4 486 B11R1.1 O=c1ccc(c[nH]1)OCCO 34a_100000075641_100000211926 [0,1,0,1,0,0|2,0,0]=4 487 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [0,1,0,1,0,0|2,0,0]=4 488 B11R1.1 OCCOc1ccc(nc1)O 271570a_203496583355_200013150534 [0,1,0,1,0,0|2,0,0]=4 489 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [0,1,0,1,0,0|2,0,0]=4 490 B11R1.167 CC(C)n1cc(ccc1=O)O 271570a_203496583355_100016995121 [0,1,0,1,0,0|2,0,0]=4 491 B11R1.182 CCOc1cc(ccc1C)O 271570a_203496583355_100012361169 [0,1,0,1,0,0|2,0,0]=4 492 B11R1.182 CCOc1cc(ccc1F)O 271570a_203496583355_200012344967 [0,1,0,1,0,0|2,0,0]=4 493 B11R1.182 CCOc1cc(ccc1N)O 271570a_203496583355_100000688918 [0,1,0,1,0,0|2,0,0]=4 494 B11R1.20 CC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100000210206 [0,1,0,1,0,0|2,0,0]=4 495 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [0,1,0,1,0,0|2,0,0]=4 496 B11R1.20 CC(C)Oc1ccc(cn1)O 271570a_203496583355_100000688564 [0,1,0,1,0,0|2,0,0]=4 497 B11R1.20 CC(C)Oc1ccc(nc1)O 271570a_203496583355_100012354243 [0,1,0,1,0,0|2,0,0]=4 498 B11R1.20 CC(C)Oc1ccc(nn1)O 271570a_203496583355_100011211678 [0,1,0,1,0,0|2,0,0]=4 499 B11R1.23 O=C1CN(CCO1)C(=O)CO 240690a_100000131268_100000210174 [0,1,0,1,0,0|1,0,1]=4 500 B11R1.23 O=C1CN(CCO1)C(=O)CO 527a_100000131268_100000210174 [0,1,0,1,0,0|1,0,1]=4 501 B11R1.83 CCOc1ccc(cc1)CO 34a_100000211755_100000210202 [0,1,0,1,0,0|2,0,0]=4 502 B11R1.83 CCOc1ccc(cc1)OC 34a_100000185467_200000210301 [0,1,0,1,0,0|2,0,0]=4 503 B11R1.83 CCOc1ccc(cc1)OC 34a_100000210503_100000210202 [0,1,0,1,0,0|2,0,0]=4 504 B11R1.83 CCOc1ccc(cc1)O[13CH3] 34a_100000185467_200025704644 [0,1,0,1,0,0|2,0,0]=4 505 B11R1.83 CCOc1ccc(cn1)OC 34a_100012002028_100000210202 [0,1,0,1,0,0|2,0,0]=4 506 B11R1.83 CCOc1ccc(nc1)CO 34a_103436540053_100000210202 [0,1,0,1,0,0|2,0,0]=4 507 B11R1.83 CCOc1ccc(nc1)OC 34a_100011934560_100000210202 [0,1,0,1,0,0|2,0,0]=4 508 B11R2.36 Oc1cc2c(cn1)OCC2 271570a_203496583355_102495363667 [0,0,0,2,0,0|2,0,0]=4 509 B11R2.36 Oc1ccc2c(c1)CCO2 271570a_203496583355_100000729065 [0,0,0,2,0,0|2,0,0]=4 510 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,0,0,0,1,0|2,0,0]=4 511 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,0,0,0,1,0|2,0,0]=4 512 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,0,0,0,1,0|2,0,0]=4 513 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,0,0,0,1,0|2,0,0]=4 514 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,0,0,0,1,0|2,0,0]=4 515 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [1,0,0,0,1,0|2,0,0]=4 516 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,0,0,0,1,0|1,0,1]=4 517 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,0,0,0,1,0|1,0,1]=4 518 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,0,0,0,1,0|1,0,1]=4 519 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,0,0,0,1,0|0,0,2]=4 520 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,0,0,0,1,0|1,0,1]=4 521 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,0,0,0,1,0|1,0,1]=4 522 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,0,0,0,1,0|1,0,1]=4 523 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,0,0,0,2,0|2,0,0]=4 524 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,0,0,0,2,0|2,0,0]=4 525 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,0,0,0,2,0|2,0,0]=4 526 B11R0.176 CCOC(=O)CCNCC(=O)O 269956a_100016091260_100000765890 [0,0,0,0,0,2|0,0,2]=4 527 B11R0.176 CCOC(=O)CNOCC(=O)O 269956a_100000106656_100000188475 [0,0,0,0,0,2|0,0,2]=4 528 B11R0.176 CCOC(=O)[CH-]C=NNC(=O)C 4a_100000189765_100010622808 [0,0,0,0,0,2|1,0,1]=4