0 B9R1.27 CNC1C(=O)CCC1=O 2230a_106832991635_100009820769 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.27 CNC1C(=O)CCC1=O 7a_106832991635_100009820769 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.27 COC1C(=O)COC1=O 34a_100138415774_100000032967 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.27 CSC1C(=O)CCC1=O 62a_100009820769_200000210301 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.27 CSC1C(=O)CCC1=O 62a_200000210301_100009820769 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.27 CSC1C(=O)COC1=O 62a_200000210301_100000032967 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_100009820769_200025704644 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_200025704644_100009820769 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.27 [13CH3]SC1C(=O)COC1=O 62a_200025704644_100000032967 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.11 CCn1ccnc1O 271570a_203496583355_100011617267 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.11 CCn1nccc1O 271570a_203496583355_100000728327 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.11 CCn1ncnc1O 271570a_203496583355_100009879425 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.50 Cc1cnc(n1C)O 271570a_203496583355_100009816807 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.50 Cc1ncc(n1C)O 271570a_203496583355_100000762843 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.187 CCNC1C(=O)CCC1=O 2230a_100015525214_100009820769 [0,1,0,0,0,0|1,0,2]=4 18 B10R1.187 CCOC1C(=O)COC1=O 34a_100121572206_100000032967 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.187 CCSC1C(=O)CCC1=O 62a_100000210202_100009820769 [0,1,0,0,0,0|1,0,2]=4 20 B10R1.187 CCSC1C(=O)CCC1=O 62a_100009820769_100000210202 [0,1,0,0,0,0|1,0,2]=4 21 B10R1.187 CCSC1C(=O)COC1=O 62a_100000210202_100000032967 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,0,1,0,0,0|2,0,1]=4 23 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [0,0,1,0,0,0|2,0,0]=3 24 B8R0.1 C=CC=CC(=O)CCF 1458a_100016291481_100011217306 [0,0,1,0,0,0|3,0,0]=4 25 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [0,0,1,0,0,0|3,0,0]=4 26 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [0,0,1,0,0,0|2,0,0]=3 27 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,0,1,0,0,0|1,0,2]=4 28 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,0,1,0,0,0|1,0,2]=4 29 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,0,1,0,0,0|1,0,2]=4 30 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [0,0,1,0,0,0|2,0,1]=4 31 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [0,0,1,0,0,0|2,0,1]=4 32 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [0,0,1,0,0,0|2,0,1]=4 34 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [0,0,1,0,0,0|2,0,1]=4 35 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,0,1,0,0,0|2,0,1]=4 36 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,0,1,0,0,0|2,0,1]=4 37 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,0,1,0,0,0|1,0,1]=3 38 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,0,1,0,0,0|1,0,1]=3 39 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,0,1,0,0,0|1,0,1]=3 40 B8R0.1 CC=CCC(=O)NNC 22a_100016993582_100121576822 [0,0,1,0,0,0|2,0,1]=4 41 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,0,1,0,0,0|2,0,1]=4 42 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,0,1,0,0,0|1,0,1]=3 43 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,0,1,0,0,0|1,0,1]=3 44 B8R0.1 CCC=CC(=O)NNC 22a_100016993582_100000212282 [0,0,1,0,0,0|2,0,1]=4 45 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,0,1,0,0,0|3,0,0]=4 46 B8R0.1 CCNC(=O)C=COC 240690a_100015525214_100016268678 [0,0,1,0,0,0|2,0,0]=3 47 B8R0.1 CNNC(=O)C=COC 22a_100016993582_100016268678 [0,0,1,0,0,0|3,0,0]=4 48 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,0,1,0,0,0|2,0,1]=4 49 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [0,0,1,0,0,0|2,0,1]=4 50 B8R0.20 C=CC(=O)N(CC)CC 1626a_100000724800_100000185746 [0,0,1,0,0,0|1,0,1]=3 51 B8R0.20 C=CC(=O)N(CC)CC 240690a_100000724800_200121576911 [0,0,1,0,0,0|1,0,1]=3 52 B10R2.32 Oc1cnc2n1CCC2 271570a_203496583355_100000717441 [0,0,0,1,0,0|2,0,1]=4 53 B10R1.30 CCc1cc(ccc1Br)O 271570a_203496583355_100010244631 [0,0,0,0,0,1|2,0,1]=4 54 B10R1.30 CCc1cc(ccc1F)O 271570a_203496583355_100010244625 [0,0,0,0,0,1|2,0,1]=4 55 B10R1.30 CCc1cc(ccc1N)O 271570a_203496583355_100000686106 [0,0,0,0,0,1|2,0,1]=4 56 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [0,0,0,0,0,1|2,0,1]=4 57 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [0,0,0,0,0,1|2,0,1]=4 58 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [0,0,0,0,0,1|1,0,2]=4 59 B10R1.30 CCc1nc(ccc1N)O 271570a_203496583355_100009871203 [0,0,0,0,0,1|2,0,1]=4 60 B10R1.30 CCn1cc(ccc1=O)O 271570a_203496583355_100000231005 [0,0,0,0,0,1|0,0,1]=2 61 B10R1.245 COc1c(occc1=O)C 34a_100000031901_200000210301 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.245 Cc1occc(=O)c1O[13CH3] 34a_100000031901_200025704644 [0,0,0,0,0,1|3,0,0]=4 63 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,1,0,0,0|1,0,1]=4 64 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,0,1,0,0,0|1,0,0]=3 65 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [1,0,1,0,0,0|2,0,0]=4 66 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [1,0,1,0,0,0|1,0,0]=3 67 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,1,0,0,0|1,0,1]=4 68 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,1,0,0,0|1,0,1]=4 69 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,1,0,0,0|1,0,1]=4 70 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,1,0,0,0|1,0,1]=4 71 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,1,0,0,0|1,0,1]=4 72 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,1,0,0,0|1,0,1]=4 73 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,0,1,0,0,0|2,0,0]=4 74 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,1,0,0,0|1,0,1]=4 75 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,1,0,0,0|1,0,1]=4 76 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,1,0,0,0|1,0,1]=4 77 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,1,0,0,0|1,0,1]=4 78 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [1,0,1,0,0,0|2,0,0]=4 79 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [1,0,1,0,0,0|2,0,0]=4 80 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,0,1,0,0,0|1,0,1]=4 81 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,0,1,0,0,0|1,0,1]=4 82 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,0,1,0,0,0|0,0,1]=3 83 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,0,1,0,0,0|0,0,1]=3 84 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,0,1,0,0,0|0,0,1]=3 85 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [1,0,1,0,0,0|1,0,1]=4 86 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,0,1,0,0,0|1,0,1]=4 87 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,0,1,0,0,0|0,0,1]=3 88 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,0,1,0,0,0|0,0,1]=3 89 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [1,0,1,0,0,0|1,0,1]=4 90 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,0,1,0,0,0|2,0,0]=4 91 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,0,1,0,0,0|2,0,0]=4 92 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,0,1,0,0,0|2,0,0]=4 93 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [1,0,1,0,0,0|1,0,0]=3 94 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [1,0,1,0,0,0|1,0,0]=3 95 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [1,0,1,0,0,0|1,0,0]=3 96 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,0,1,0,0,0|1,0,1]=4 97 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [1,0,1,0,0,0|0,0,1]=3 98 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [1,0,1,0,0,0|0,0,1]=3 99 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [2,0,0,0,0,0|0,0,2]=4 100 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [2,0,0,0,0,0|1,0,1]=4 101 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [2,0,0,0,0,0|1,0,1]=4 102 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [2,0,0,0,0,0|1,0,1]=4 103 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [0,1,1,0,0,0|2,0,0]=4 104 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [0,1,1,0,0,0|2,0,0]=4 105 B9R0.4 C=CC=CC(=O)NC(C)C 1626a_100138425928_100016291481 [0,1,1,0,0,0|1,0,0]=3 106 B9R0.4 CC=CCC(=O)NC(C)C 11a_100138425928_100121576822 [0,1,1,0,0,0|1,0,1]=4 107 B9R0.4 CC=CCC(=O)NC(C)C 1626a_100138425928_100121576822 [0,1,1,0,0,0|1,0,1]=4 108 B9R0.4 CC=CCC(=O)NC(C)C 240690a_100138425928_100121576822 [0,1,1,0,0,0|1,0,1]=4 109 B9R0.4 CC=CCC(=O)NC(C)C 527a_100138425928_100121576822 [0,1,1,0,0,0|1,0,1]=4 110 B9R0.4 CCC=CC(=O)NC(C)C 11a_100138425928_100000212282 [0,1,1,0,0,0|1,0,1]=4 111 B9R0.4 CCC=CC(=O)NC(C)C 1626a_100138425928_100000212282 [0,1,1,0,0,0|1,0,1]=4 112 B9R0.4 CCC=CC(=O)NC(C)C 240690a_100138425928_100000212282 [0,1,1,0,0,0|1,0,1]=4 113 B9R0.4 COC=CC(=O)NC(C)C 1626a_100138425928_100016268678 [0,1,1,0,0,0|2,0,0]=4 114 B9R0.4 COC=CC(=O)NC(C)C 240690a_100138425928_100016268678 [0,1,1,0,0,0|2,0,0]=4 115 B9R0.5 C/C=C/C=CC(=O)CCC 1458a_100000185730_100000210303 [0,1,1,0,0,0|2,0,0]=4 116 B9R0.5 C/C=C/C=CC(=O)NCC 11a_100015525214_100000185730 [0,1,1,0,0,0|1,0,0]=3 117 B9R0.5 C/C=C/C=CC(=O)NCC 240690a_100015525214_100000185730 [0,1,1,0,0,0|1,0,0]=3 118 B9R0.5 C/C=C/C=CC(=O)NNC 22a_100016993582_100000185730 [0,1,1,0,0,0|2,0,0]=4 119 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,1,1,0,0,0|1,0,1]=4 120 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,1,1,0,0,0|1,0,1]=4 121 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,1,1,0,0,0|1,0,1]=4 122 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,1,1,0,0,0|1,0,1]=4 123 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,1,1,0,0,0|1,0,1]=4 124 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,1,1,0,0,0|0,0,2]=4 125 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,1,1,0,0,0|0,0,2]=4 126 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,1,1,0,0,0|1,0,1]=4 127 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,1,1,0,0,0|1,0,1]=4 128 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [0,1,1,0,0,0|0,0,2]=4 129 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [0,1,1,0,0,0|0,0,2]=4 130 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [0,1,1,0,0,0|0,0,2]=4 131 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [0,1,1,0,0,0|2,0,0]=4 132 B9R0.8 C=CC=CC(=O)N(C)CC 1626a_100000225621_100016291481 [0,1,1,0,0,0|1,0,0]=3 133 B9R0.8 CC=CCC(=O)N(C)CC 11a_100000225621_100121576822 [0,1,1,0,0,0|1,0,1]=4 134 B9R0.8 CC=CCC(=O)N(C)CC 1626a_100000225621_100121576822 [0,1,1,0,0,0|1,0,1]=4 135 B9R0.8 CC=CCC(=O)N(C)CC 240690a_100000225621_100121576822 [0,1,1,0,0,0|1,0,1]=4 136 B9R0.8 CC=CCC(=O)N(C)CC 527a_100000225621_100121576822 [0,1,1,0,0,0|1,0,1]=4 137 B9R0.8 CCC=CC(=O)N(C)CC 11a_100000225621_100000212282 [0,1,1,0,0,0|1,0,1]=4 138 B9R0.8 CCC=CC(=O)N(C)CC 1626a_100000225621_100000212282 [0,1,1,0,0,0|1,0,1]=4 139 B9R0.8 CCC=CC(=O)N(C)CC 240690a_100000225621_100000212282 [0,1,1,0,0,0|1,0,1]=4 140 B9R0.8 CCN(C)C(=O)C=COC 1626a_100000225621_100016268678 [0,1,1,0,0,0|2,0,0]=4 141 B9R0.8 CCN(C)C(=O)C=COC 240690a_100000225621_100016268678 [0,1,1,0,0,0|2,0,0]=4 142 B9R0.18 C#CCNC(=O)C=CC=C 1626a_100000212058_100016291481 [0,1,1,0,0,0|1,0,1]=4 143 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,1,1,0,0,0|2,0,0]=4 144 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [0,1,1,0,0,0|2,0,0]=4 145 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [0,1,1,0,0,0|2,0,0]=4 146 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [0,1,1,0,0,0|2,0,0]=4 147 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [0,1,1,0,0,0|2,0,0]=4 148 B9R0.18 C=CC=CC(=O)NCC#N 1626a_100000734998_100016291481 [0,1,1,0,0,0|1,0,1]=4 149 B9R0.18 C=CC=CC(=O)NCC=C 1626a_100020586998_100016291481 [0,1,1,0,0,0|1,0,1]=4 150 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [0,1,1,0,0,0|1,0,0]=3 151 B9R0.18 C=CC=CC(=O)NCCF 1626a_100000724931_100016291481 [0,1,1,0,0,0|1,0,0]=3 152 B9R0.18 C=CC=CC(=O)NNCC 22a_100000756455_100016291481 [0,1,1,0,0,0|1,0,0]=3 153 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [0,1,1,0,0,0|1,0,1]=4 154 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [0,1,1,0,0,0|1,0,1]=4 155 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [0,1,1,0,0,0|1,0,1]=4 156 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [0,1,1,0,0,0|1,0,1]=4 157 B9R0.18 CC=CCC(=O)NCCF 11a_100000724931_100121576822 [0,1,1,0,0,0|1,0,1]=4 158 B9R0.18 CC=CCC(=O)NCCF 1626a_100000724931_100121576822 [0,1,1,0,0,0|1,0,1]=4 159 B9R0.18 CC=CCC(=O)NCCF 240690a_100000724931_100121576822 [0,1,1,0,0,0|1,0,1]=4 160 B9R0.18 CC=CCC(=O)NCCF 527a_100000724931_100121576822 [0,1,1,0,0,0|1,0,1]=4 161 B9R0.18 CC=CCC(=O)NCCO 240690a_100000210304_100121576822 [0,1,1,0,0,0|1,0,1]=4 162 B9R0.18 CC=CCC(=O)NCCO 527a_100000210304_100121576822 [0,1,1,0,0,0|1,0,1]=4 163 B9R0.18 CC=CCC(=O)NNCC 22a_100000756455_100121576822 [0,1,1,0,0,0|1,0,1]=4 164 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [0,1,1,0,0,0|1,0,1]=4 165 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [0,1,1,0,0,0|1,0,1]=4 166 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [0,1,1,0,0,0|1,0,1]=4 167 B9R0.18 CCC=CC(=O)NCCF 11a_100000724931_100000212282 [0,1,1,0,0,0|1,0,1]=4 168 B9R0.18 CCC=CC(=O)NCCF 1626a_100000724931_100000212282 [0,1,1,0,0,0|1,0,1]=4 169 B9R0.18 CCC=CC(=O)NCCF 240690a_100000724931_100000212282 [0,1,1,0,0,0|1,0,1]=4 170 B9R0.18 CCC=CC(=O)NCCO 240690a_100000210304_100000212282 [0,1,1,0,0,0|1,0,1]=4 171 B9R0.18 CCC=CC(=O)NNCC 22a_100000756455_100000212282 [0,1,1,0,0,0|1,0,1]=4 172 B9R0.18 CCCNC(=O)C=COC 1626a_100020643023_100016268678 [0,1,1,0,0,0|2,0,0]=4 173 B9R0.18 CCCNC(=O)C=COC 240690a_100020643023_100016268678 [0,1,1,0,0,0|2,0,0]=4 174 B9R0.18 CCNNC(=O)C=COC 22a_100000756455_100016268678 [0,1,1,0,0,0|2,0,0]=4 175 B9R0.18 COC=CC(=O)NCCF 1626a_100000724931_100016268678 [0,1,1,0,0,0|2,0,0]=4 176 B9R0.18 COC=CC(=O)NCCF 240690a_100000724931_100016268678 [0,1,1,0,0,0|2,0,0]=4 177 B9R0.18 COC=CC(=O)NCCO 240690a_100000210304_100016268678 [0,1,1,0,0,0|2,0,0]=4 178 B9R0.34 C=CC(=O)CC(=O)NCC 1458a_100000185746_100000183381 [0,1,1,0,0,0|1,0,1]=4 179 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [0,1,1,0,0,0|1,0,1]=4 180 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [0,1,1,0,0,0|1,0,1]=4 181 B9R0.35 C=CCC(=O)C(=O)NCC 1458a_200011297158_100000210623 [0,1,1,0,0,0|1,0,1]=4 182 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,1,1,0,0,0|1,0,1]=4 183 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,1,1,0,0,0|1,0,1]=4 184 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,1,1,0,0,0|1,0,1]=4 185 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,1,1,0,0,0|1,0,1]=4 186 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,1,1,0,0,0|1,0,1]=4 187 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,1,1,0,0,0|1,0,1]=4 188 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,1,1,0,0,0|1,0,1]=4 189 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,1,1,0,0,0|1,0,1]=4 190 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,1,1,0,0,0|0,0,2]=4 191 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,1,1,0,0,0|0,0,2]=4 192 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,1,1,0,0,0|0,0,2]=4 193 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,1,1,0,0,0|0,0,2]=4 194 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,1,1,0,0,0|1,0,1]=4 195 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,1,1,0,0,0|1,0,1]=4 196 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,1,1,0,0,0|1,0,1]=4 197 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,1,1,0,0,0|1,0,1]=4 198 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,1,1,0,0,0|1,0,1]=4 199 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,1,1,0,0,0|1,0,1]=4 200 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,1,1,0,0,0|1,0,1]=4 201 B9R0.48 CCNC(=O)CNC(=O)N 240690a_100015525214_100000184981 [0,1,1,0,0,0|1,0,1]=4 202 B9R0.48 CCNC(=O)CNC(=O)N 527a_100015525214_100000184981 [0,1,1,0,0,0|1,0,1]=4 203 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,1,1,0,0,0|1,0,1]=4 204 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,1,1,0,0,0|1,0,1]=4 205 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,1,1,0,0,0|1,0,1]=4 206 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,1,1,0,0,0|1,0,1]=4 207 B9R0.48 CCNC(=O)CSC(=O)N 240690a_100015525214_200015941356 [0,1,1,0,0,0|1,0,1]=4 208 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [0,1,1,0,0,0|1,0,1]=4 209 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [0,1,1,0,0,0|1,0,1]=4 210 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [0,1,1,0,0,0|1,0,1]=4 211 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [0,1,1,0,0,0|1,0,1]=4 212 B9R0.48 CCNC(=O)NNC(=O)C 273464a_100015525214_100000189765 [0,1,1,0,0,0|2,0,0]=4 213 B9R0.48 CCNC(=O)NNC(=O)C 512a_100000189765_100015525214 [0,1,1,0,0,0|2,0,0]=4 214 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,1,1,0,0,0|1,0,0]=3 215 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,1,1,0,0,0|1,0,0]=3 216 B9R0.29 C=CC(=O)C(CC)C(=O)N 1458a_100000185746_100000750255 [0,1,1,0,0,0|2,0,0]=4 217 B9R0.12 C#CCN(CC)C(=O)C=C 1626a_100000744766_100000185746 [0,1,1,0,0,0|1,0,1]=4 218 B9R0.12 C#CCN(CC)C(=O)C=C 240690a_100000744766_200121576911 [0,1,1,0,0,0|1,0,1]=4 219 B9R0.12 C=CC(=O)N(CC)CCC 1626a_100000226822_100000185746 [0,1,1,0,0,0|1,0,1]=4 220 B9R0.12 C=CC(=O)N(CC)CCC 240690a_100000226822_200121576911 [0,1,1,0,0,0|1,0,1]=4 221 B9R0.12 C=CC(=O)N(CC)CCO 240690a_100000210973_200121576911 [0,1,1,0,0,0|0,0,2]=4 222 B9R0.37 C=CCC(=O)N(CC)CC 11a_100000724800_100000210193 [0,1,1,0,0,0|1,0,1]=4 223 B9R0.37 C=CCC(=O)N(CC)CC 1626a_100000724800_100000210193 [0,1,1,0,0,0|1,0,1]=4 224 B9R0.37 C=CCC(=O)N(CC)CC 240690a_100000724800_100000210193 [0,1,1,0,0,0|1,0,1]=4 225 B9R0.37 C=CCC(=O)N(CC)CC 527a_100000724800_100000210193 [0,1,1,0,0,0|1,0,1]=4 226 B9R0.37 CC=CC(=O)N(CC)CC 11a_100000724800_100000210699 [0,1,1,0,0,0|1,0,1]=4 227 B9R0.37 CC=CC(=O)N(CC)CC 1626a_100000724800_100000210699 [0,1,1,0,0,0|1,0,1]=4 228 B9R0.37 CC=CC(=O)N(CC)CC 240690a_100000724800_100000210699 [0,1,1,0,0,0|1,0,1]=4 229 B9R0.37 CCN(CC)C(=O)C=CBr 1626a_100000724800_100016273825 [0,1,1,0,0,0|1,0,1]=4 230 B9R0.37 CCN(CC)C(=O)C=CBr 240690a_100000724800_100016273825 [0,1,1,0,0,0|1,0,1]=4 231 B9R0.37 CCN(CC)C(=O)C=CCl 11a_100000724800_200016279998 [0,1,1,0,0,0|1,0,1]=4 232 B9R0.37 CCN(CC)C(=O)C=CCl 1626a_100000724800_200016279998 [0,1,1,0,0,0|1,0,1]=4 233 B9R0.37 CCN(CC)C(=O)C=CCl 240690a_100000724800_200016279998 [0,1,1,0,0,0|1,0,1]=4 234 B9R0.37 CCN(CC)C(=O)C=CI 1626a_100000724800_100016256311 [0,1,1,0,0,0|1,0,1]=4 235 B9R0.41 C=C(Br)C(=O)N(CC)CC 11a_100000724800_100009813364 [0,1,1,0,0,0|1,0,1]=4 236 B9R0.41 C=C(Br)C(=O)N(CC)CC 1626a_100000724800_100009813364 [0,1,1,0,0,0|1,0,1]=4 237 B9R0.41 C=C(C)C(=O)N(CC)CC 11a_100000724800_100000185857 [0,1,1,0,0,0|1,0,1]=4 238 B9R0.41 C=C(C)C(=O)N(CC)CC 1626a_100000724800_100000185857 [0,1,1,0,0,0|1,0,1]=4 239 B9R0.41 C=C(Cl)C(=O)N(CC)CC 11a_100000724800_100000039160 [0,1,1,0,0,0|1,0,1]=4 240 B9R0.41 C=C(Cl)C(=O)N(CC)CC 1626a_100000724800_100000039160 [0,1,1,0,0,0|1,0,1]=4 241 B9R0.41 C=C(F)C(=O)N(CC)CC 11a_100000724800_100000036797 [0,1,1,0,0,0|1,0,1]=4 242 B9R0.41 C=C(F)C(=O)N(CC)CC 1626a_100000724800_100000036797 [0,1,1,0,0,0|1,0,1]=4 243 B9R1.14 C=Cc1ccnn1CC 271570a_100011290941_100000728327 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.14 C=Cc1nccn1CC 271570a_100011290941_100011617267 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.14 CCn1ccnc1SC 62a_100011617267_200000210301 [1,1,0,0,0,0|1,1,0]=4 246 B9R1.14 CCn1ccnc1SC 62a_200000210301_100011617267 [1,1,0,0,0,0|1,1,0]=4 247 B9R1.14 CCn1ccnc1S[13CH3] 62a_100011617267_200025704644 [1,1,0,0,0,0|1,1,0]=4 248 B9R1.14 CCn1ccnc1S[13CH3] 62a_200025704644_100011617267 [1,1,0,0,0,0|1,1,0]=4 249 B9R1.14 CCn1nccc1OC 34a_100012181048_200000210301 [1,1,0,0,0,0|1,0,1]=4 250 B9R1.14 CCn1nccc1O[13CH3] 34a_100012181048_200025704644 [1,1,0,0,0,0|1,0,1]=4 251 B9R1.14 CCn1nccc1SC 62a_100000728327_200000210301 [1,1,0,0,0,0|1,1,0]=4 252 B9R1.14 CCn1nccc1SC 62a_200000210301_100000728327 [1,1,0,0,0,0|1,1,0]=4 253 B9R1.14 CCn1nccc1S[13CH3] 62a_100000728327_200025704644 [1,1,0,0,0,0|1,1,0]=4 254 B9R1.14 CCn1nccc1S[13CH3] 62a_200025704644_100000728327 [1,1,0,0,0,0|1,1,0]=4 255 B9R1.22 CCn1nc([nH]c1=O)O 271570a_203496583355_100009830087 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.22 CCn1nc(cc1C)O 271570a_203496583355_100010781242 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.41 CC(C)n1ccnc1O 271570a_203496583355_100009820211 [1,1,0,0,0,0|1,0,1]=4 258 B9R1.41 CC(C)n1cncc1O 271570a_203496583355_100009849687 [1,1,0,0,0,0|1,0,1]=4 259 B9R1.41 CC(C)n1nccc1O 271570a_203496583355_100010264481 [1,1,0,0,0,0|1,0,1]=4 260 B9R1.132 CCn1ncc(c1C)O 271570a_203496583355_100012002569 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.28 COC1C(=O)C(=O)C1=O 7a_100010658403_200000210301 [0,1,0,0,1,0|2,0,0]=4 262 B9R1.28 [13CH3]OC1C(=O)C(=O)C1=O 7a_100010658403_200025704644 [0,1,0,0,1,0|2,0,0]=4 263 B11R1.37 CCc1cc(ccc1C=O)O 271570a_203496583355_100010209654 [0,1,0,0,0,1|1,0,1]=4 264 B11R1.167 CC(C)n1cc(ccc1=O)O 271570a_203496583355_100016995121 [0,1,0,0,0,1|0,0,1]=3 265 B11R1.167 O=c1ccc(cn1C(F)F)O 271570a_203496583355_100012351121 [0,1,0,0,0,1|1,0,1]=4 266 B11R1.280 C=Cc1ccc(=O)n(c1)CC 271570a_100011290941_100000231005 [0,1,0,0,0,1|1,0,0]=3 267 B11R1.280 CCn1cc(ccc1=O)SC 62a_100000231005_200000210301 [0,1,0,0,0,1|0,1,0]=3 268 B11R1.280 CCn1cc(ccc1=O)SC 62a_200000210301_100000231005 [0,1,0,0,0,1|0,1,0]=3 269 B11R1.280 CCn1cc(ccc1=O)S[13CH3] 62a_100000231005_200025704644 [0,1,0,0,0,1|0,1,0]=3 270 B11R1.280 CCn1cc(ccc1=O)S[13CH3] 62a_200025704644_100000231005 [0,1,0,0,0,1|0,1,0]=3 271 B11R1.605 CCOc1c(occc1=O)C 34a_100000031901_100000210202 [0,1,0,0,0,1|2,0,0]=4 272 B11R1.465 CNCCN1C(=O)CCC1=O 2230a_106832991635_100000736797 [0,2,0,0,0,0|0,0,2]=4 273 B11R1.465 CNCCN1C(=O)CCC1=O 34a_100102657272_100000736797 [0,2,0,0,0,0|0,0,2]=4 274 B11R1.465 CNCCN1C(=O)CCC1=O 7a_106832991635_100000736797 [0,2,0,0,0,0|0,0,2]=4 275 B11R1.465 CNCCn1c(csc1=O)C 2230a_106832991635_100000204612 [0,2,0,0,0,0|2,0,0]=4 276 B11R1.465 CNCCn1c(csc1=O)C 7a_106832991635_100000204612 [0,2,0,0,0,0|2,0,0]=4 277 B11R1.465 COCCN1C(=O)CCC1=O 34a_100000230492_200000210301 [0,2,0,0,0,0|0,0,2]=4 278 B11R1.465 COCCN1C(=O)CCC1=O 34a_100138415774_100000736797 [0,2,0,0,0,0|0,0,2]=4 279 B11R1.465 CSCCN1C(=O)CCC1=O 62a_200000210301_100000736797 [0,2,0,0,0,0|0,0,2]=4 280 B11R1.465 CSCCn1c(csc1=O)C 62a_100000204612_200000210301 [0,2,0,0,0,0|2,0,0]=4 281 B11R1.465 CSCCn1c(csc1=O)C 62a_200000210301_100000204612 [0,2,0,0,0,0|2,0,0]=4 282 B11R1.465 Cc1csc(=O)n1CCS[13CH3] 62a_100000204612_200025704644 [0,2,0,0,0,0|2,0,0]=4 283 B11R1.465 Cc1csc(=O)n1CCS[13CH3] 62a_200025704644_100000204612 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.465 [13CH3]OCCN1C(=O)CCC1=O 34a_100000230492_200025704644 [0,2,0,0,0,0|0,0,2]=4 285 B11R1.465 [13CH3]SCCN1C(=O)CCC1=O 62a_200025704644_100000736797 [0,2,0,0,0,0|0,0,2]=4 286 B11R1.495 CC(=O)CN1C(=O)CCC1=O 1458a_100000186450_200000210301 [0,2,0,0,0,0|0,0,2]=4 287 B11R1.495 CC(=O)CN1C(=O)CNC1=O 1458a_100000181252_200000210301 [0,2,0,0,0,0|1,0,1]=4 288 B11R1.495 CC(=O)CN1C(=O)CSC1=O 1458a_100000186196_200000210301 [0,2,0,0,0,0|1,0,1]=4 289 B11R1.495 CC(=O)Cn1c(ccc1C)C 1458a_100000238583_200000210301 [0,2,0,0,0,0|2,0,0]=4 290 B11R1.495 Cc1ccc(n1CC(=O)[13CH3])C 1458a_100000238583_200025704644 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.495 [13CH3]C(=O)CN1C(=O)CCC1=O 1458a_100000186450_200025704644 [0,2,0,0,0,0|0,0,2]=4 292 B11R1.495 [13CH3]C(=O)CN1C(=O)CNC1=O 1458a_100000181252_200025704644 [0,2,0,0,0,0|1,0,1]=4 293 B11R1.495 [13CH3]C(=O)CN1C(=O)CSC1=O 1458a_100000186196_200025704644 [0,2,0,0,0,0|1,0,1]=4 294 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [0,0,1,1,0,0|2,0,0]=4 295 B9R1.8 CCNc1cccnn1 27a_100015525214_100016991348 [0,0,1,1,0,0|2,0,0]=4 296 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [0,0,1,1,0,0|1,0,1]=4 297 B9R1.11 C=CC(=O)N1CCSC1 240690a_100011215254_200121576911 [0,0,1,1,0,0|0,1,1]=4 298 B9R1.81 C=CC(=O)C1CCC1=O 1458a_100000185746_100009892977 [0,0,1,1,0,0|1,0,0]=3 299 B9R1.81 C=CC(=O)N1CCC1C 240690a_100000755817_200121576911 [0,0,1,1,0,0|1,0,1]=4 300 B9R0.39 C=C(C)CN(CC)C(=O)C 11a_100000211296_100015343762 [0,0,1,0,0,1|1,0,1]=4 301 B9R0.39 C=C(C)CN(CC)C(=O)C 1626a_100000211296_100015343762 [0,0,1,0,0,1|1,0,1]=4 302 B9R0.39 C=C(C)CN(CC)C(=O)C 527a_100000211296_100103153847 [0,0,1,0,0,1|1,0,1]=4 303 B9R1.3 Cn1c(cccc1=O)O 271570a_203496583355_100000726605 [1,0,0,0,0,1|0,0,1]=3