0 B14R1.29 C#CCC(=O)CC(=O)c1ccccc1 1458a_100011220946_100000211460 [0,0,0,0,0,0|1,0,2]=3 1 B14R1.29 C#CCC(=O)CC(=O)c1ccccn1 1458a_100011220946_100000027445 [0,0,0,0,0,0|2,0,2]=4 2 B14R1.29 C#CCC(=O)CC(=O)c1cccnc1 1458a_100011220946_100015188593 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.29 C#CCC(=O)CC(=O)c1ccncc1 1458a_100011220946_100000027454 [0,0,0,0,0,0|2,0,2]=4 4 B14R1.29 C=CCC(=O)CC(=O)c1ccccc1 1458a_100000210193_100000211460 [0,0,0,0,0,0|1,0,2]=3 5 B14R1.29 C=CCC(=O)CC(=O)c1ccccn1 1458a_100000210193_100000027445 [0,0,0,0,0,0|2,0,2]=4 6 B14R1.29 C=CCC(=O)CC(=O)c1cccnc1 1458a_100000210193_100015188593 [0,0,0,0,0,0|2,0,2]=4 7 B14R1.29 C=CCC(=O)CC(=O)c1ccncc1 1458a_100000210193_100000027454 [0,0,0,0,0,0|2,0,2]=4 8 B14R1.29 C=COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000036128 [0,0,0,0,0,0|0,0,2]=2 9 B14R1.29 C=COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000036128 [0,0,0,0,0,0|2,0,2]=4 10 B14R1.29 C=COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000036128 [0,0,0,0,0,0|2,0,2]=4 11 B14R1.29 C=COC(=O)CN(C)c1ccccc1 34a_100000210012_100000036128 [0,0,0,0,0,0|2,0,2]=4 12 B14R1.29 CC#CC(=O)CC(=O)c1ccccc1 1458a_100000763181_100000211460 [0,0,0,0,0,0|1,0,1]=2 13 B14R1.29 CC#CC(=O)CC(=O)c1ccccn1 1458a_100000763181_100000027445 [0,0,0,0,0,0|2,0,1]=3 14 B14R1.29 CC#CC(=O)CC(=O)c1cccnc1 1458a_100000763181_100015188593 [0,0,0,0,0,0|2,0,1]=3 15 B14R1.29 CC#CC(=O)CC(=O)c1ccncc1 1458a_100000763181_100000027454 [0,0,0,0,0,0|2,0,1]=3 16 B14R1.29 CC#CC(=O)CC(=O)c1ncccn1 1458a_100000763181_100020636365 [0,0,0,0,0,0|3,0,1]=4 17 B14R1.29 CC#CC(=O)CC(C)c1ccccc1 1458a_100000763181_100000756946 [0,0,0,0,0,0|2,0,2]=4 18 B14R1.29 CC#CC(=O)CC(O)c1ccccc1 1458a_100000763181_100000185958 [0,0,0,0,0,0|1,0,3]=4 19 B14R1.29 CC#CC(=O)C[C@@H](O)c1ccccc1 1458a_100000763181_100011933945 [0,0,0,0,0,0|1,0,3]=4 20 B14R1.29 CC(=CC(=O)CCF)c1ccccc1 1458a_100000743005_100011217306 [0,0,0,0,0,0|3,0,1]=4 21 B14R1.29 CC(=CC(=O)CCO)c1ccccc1 1458a_100000743005_100000211926 [0,0,0,0,0,0|3,0,1]=4 22 B14R1.29 CC(CC(=O)CCF)c1ccccc1 1458a_100000183687_100011217306 [0,0,0,0,0,0|3,0,1]=4 23 B14R1.29 CC(CC(=O)CCO)c1ccccc1 1458a_100000183687_100000211926 [0,0,0,0,0,0|3,0,1]=4 24 B14R1.29 CC(CC(=O)CCO)c1ccccc1 1458a_100011216618_100000756946 [0,0,0,0,0,0|3,0,1]=4 25 B14R1.29 CC=CC(=O)CC(=O)c1ccccc1 1458a_100000210699_100000211460 [0,0,0,0,0,0|1,0,1]=2 26 B14R1.29 CC=CC(=O)CC(=O)c1ccccn1 1458a_100000210699_100000027445 [0,0,0,0,0,0|2,0,1]=3 27 B14R1.29 CC=CC(=O)CC(=O)c1cccnc1 1458a_100000210699_100015188593 [0,0,0,0,0,0|2,0,1]=3 28 B14R1.29 CC=CC(=O)CC(=O)c1ccncc1 1458a_100000210699_100000027454 [0,0,0,0,0,0|2,0,1]=3 29 B14R1.29 CC=CC(=O)CC(=O)c1ncccn1 1458a_100000210699_100020636365 [0,0,0,0,0,0|3,0,1]=4 30 B14R1.29 CC=CC(=O)CC(C)c1ccccc1 1458a_100000210699_100000756946 [0,0,0,0,0,0|2,0,2]=4 31 B14R1.29 CC=CC(=O)CC(O)c1ccccc1 1458a_100000210699_100000185958 [0,0,0,0,0,0|1,0,3]=4 32 B14R1.29 CC=CC(=O)C[C@@H](O)c1ccccc1 1458a_100000210699_100011933945 [0,0,0,0,0,0|1,0,3]=4 33 B14R1.29 CCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210303 [0,0,0,0,0,0|2,0,1]=3 34 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747444 [0,0,0,0,0,0|1,0,0]=1 35 B14R1.29 CCCC(=O)CC(=O)c1ccccc1 1458a_100000211992_100000211460 [0,0,0,0,0,0|1,0,0]=1 36 B14R1.29 CCCC(=O)CC(=O)c1ccccn1 1458a_100000211992_100000027445 [0,0,0,0,0,0|2,0,0]=2 37 B14R1.29 CCCC(=O)CC(=O)c1cccnc1 1458a_100000211992_100015188593 [0,0,0,0,0,0|2,0,0]=2 38 B14R1.29 CCCC(=O)CC(=O)c1ccncc1 1458a_100000211992_100000027454 [0,0,0,0,0,0|2,0,0]=2 39 B14R1.29 CCCC(=O)CC(=O)c1ncccn1 1458a_100000211992_100020636365 [0,0,0,0,0,0|3,0,0]=3 40 B14R1.29 CCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210303 [0,0,0,0,0,0|2,0,1]=3 41 B14R1.29 CCCC(=O)CC(C)c1ccccc1 1458a_100000211992_100000756946 [0,0,0,0,0,0|2,0,1]=3 42 B14R1.29 CCCC(=O)CC(O)c1ccccc1 1458a_100000211992_100000185958 [0,0,0,0,0,0|1,0,2]=3 43 B14R1.29 CCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210303 [0,0,0,0,0,0|1,0,2]=3 44 B14R1.29 CCCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210303 [0,0,0,0,0,0|3,0,0]=3 45 B14R1.29 CCCC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747444 [0,0,0,0,0,0|3,0,0]=3 46 B14R1.29 CCCC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747444 [0,0,0,0,0,0|3,0,0]=3 47 B14R1.29 CCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000211992_100011933945 [0,0,0,0,0,0|1,0,2]=3 48 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000211992 [0,0,0,0,0,0|3,0,1]=4 49 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000211992 [0,0,0,0,0,0|3,0,1]=4 50 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000211992 [0,0,0,0,0,0|3,0,1]=4 51 B14R1.29 CCCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000211992 [0,0,0,0,0,0|3,0,1]=4 52 B14R1.29 CCCC(C)CC(=O)c1ccccc1 1458a_100000185807_100011216630 [0,0,0,0,0,0|2,0,1]=3 53 B14R1.29 CCCC(C)NC(=O)c1ccccc1 11a_100000741246_100000185807 [0,0,0,0,0,0|3,0,1]=4 54 B14R1.29 CCCC(C)NC(=O)c1ccccc1 1626a_100000741246_100000185807 [0,0,0,0,0,0|3,0,1]=4 55 B14R1.29 CCCC(C)NC(=O)c1ccccc1 240690a_100000741246_100000185807 [0,0,0,0,0,0|3,0,1]=4 56 B14R1.29 CCCC(C)NC(=O)c1ccccc1 527a_100000741246_100000185807 [0,0,0,0,0,0|3,0,1]=4 57 B14R1.29 CCCN(C)CC(=O)c1ccccc1 269982a_100000747261_100000211460 [0,0,0,0,0,0|3,0,0]=3 58 B14R1.29 CCCN(C)CC(=O)c1ccccn1 269982a_100000747261_100000027445 [0,0,0,0,0,0|4,0,0]=4 59 B14R1.29 CCCN(C)CC(=O)c1cccnc1 269982a_100000747261_100000757877 [0,0,0,0,0,0|4,0,0]=4 60 B14R1.29 CCCN(C)CC(=O)c1ccncc1 269982a_100000747261_100000027454 [0,0,0,0,0,0|4,0,0]=4 61 B14R1.29 CCCN(C)CS(=O)c1ccccc1 269982a_100000747261_100000031784 [0,0,0,0,0,0|4,0,0]=4 62 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 11a_100015525214_100000743005 [0,0,0,0,0,0|2,0,1]=3 63 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 240690a_100015525214_100000743005 [0,0,0,0,0,0|2,0,1]=3 64 B14R1.29 CCNC(=O)C=C(C)c1ccccc1 527a_100015525214_100000743005 [0,0,0,0,0,0|2,0,1]=3 65 B14R1.29 CCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183381 [0,0,0,0,0,0|1,0,0]=1 66 B14R1.29 CCNC(=O)CC(C)c1ccccc1 11a_100015525214_100000183687 [0,0,0,0,0,0|2,0,1]=3 67 B14R1.29 CCNC(=O)CC(C)c1ccccc1 240690a_100015525214_100000183687 [0,0,0,0,0,0|2,0,1]=3 68 B14R1.29 CCNC(=O)CC(C)c1ccccc1 527a_100015525214_100000183687 [0,0,0,0,0,0|2,0,1]=3 69 B14R1.29 CCNC(=O)CC(O)c1ccccc1 240690a_100015525214_100000690199 [0,0,0,0,0,0|1,0,2]=3 70 B14R1.29 CCNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183381 [0,0,0,0,0,0|3,0,0]=3 71 B14R1.29 CCNC(=O)CN(C)c1ccccc1 240690a_100015525214_100000745425 [0,0,0,0,0,0|3,0,0]=3 72 B14R1.29 CCNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183381 [0,0,0,0,0,0|3,0,0]=3 73 B14R1.29 CCNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183381 [0,0,0,0,0,0|3,0,0]=3 74 B14R1.29 CCNC(=O)CN(C)c1ccccc1 527a_100015525214_100000745425 [0,0,0,0,0,0|3,0,0]=3 75 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100015525214 [0,0,0,0,0,0|3,0,1]=4 76 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 2708a_100015525214_100000751104 [0,0,0,0,0,0|3,0,1]=4 77 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100015525214 [0,0,0,0,0,0|3,0,1]=4 78 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 273464a_100015525214_100000751104 [0,0,0,0,0,0|3,0,1]=4 79 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100015525214 [0,0,0,0,0,0|3,0,1]=4 80 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 512a_100015525214_100000751104 [0,0,0,0,0,0|3,0,1]=4 81 B14R1.29 CCOC(=O)/C=C(\C)/c1ccccc1 271570a_100050291487_100000210277 [0,0,0,0,0,0|1,0,1]=2 82 B14R1.29 CCOC(=O)/C=C(\C)/c1ccccn1 271570a_100050291487_100011216584 [0,0,0,0,0,0|2,0,1]=3 83 B14R1.29 CCOC(=O)/C=C(\C)/c1cccnc1 271570a_100050291487_100000752921 [0,0,0,0,0,0|2,0,1]=3 84 B14R1.29 CCOC(=O)/C=C(\C)/c1cccnn1 271570a_100050291487_100016991348 [0,0,0,0,0,0|3,0,1]=4 85 B14R1.29 CCOC(=O)/C=C(\C)/c1ccncc1 271570a_100050291487_100000035832 [0,0,0,0,0,0|2,0,1]=3 86 B14R1.29 CCOC(=O)/C=C(\C)/c1ccncn1 271570a_100050291487_100000703185 [0,0,0,0,0,0|3,0,1]=4 87 B14R1.29 CCOC(=O)/C=C(\C)/c1ccnnc1 271570a_100050291487_100000732662 [0,0,0,0,0,0|3,0,1]=4 88 B14R1.29 CCOC(=O)/C=C(\C)/c1cnccn1 271570a_100050291487_100000758340 [0,0,0,0,0,0|3,0,1]=4 89 B14R1.29 CCOC(=O)/C=C(\C)/c1cncnc1 271570a_100050291487_100011206942 [0,0,0,0,0,0|3,0,1]=4 90 B14R1.29 CCOC(=O)/C=C(\C)/c1ncccn1 271570a_100050291487_100000211032 [0,0,0,0,0,0|3,0,1]=4 91 B14R1.29 CCOC(=O)CC(=O)C1=CCCCC1 1458a_100000765259_100000188475 [0,0,0,0,0,0|0,0,4]=4 92 B14R1.29 CCOC(=O)CC(=O)C1=CCCCO1 1458a_100000764163_100000188475 [0,0,0,0,0,0|1,0,3]=4 93 B14R1.29 CCOC(=O)CC(=O)C1=COCCC1 1458a_100000749935_100000188475 [0,0,0,0,0,0|1,0,3]=4 94 B14R1.29 CCOC(=O)CC(=O)C1=COCCO1 1458a_100000008702_100000188475 [0,0,0,0,0,0|2,0,2]=4 95 B14R1.29 CCOC(=O)CC(=O)C1C=CCCC1 1458a_100000243816_100000751183 [0,0,0,0,0,0|0,0,4]=4 96 B14R1.29 CCOC(=O)CC(=O)N1CC=CCC1 240690a_100000698166_100000243816 [0,0,0,0,0,0|1,0,3]=4 97 B14R1.29 CCOC(=O)CC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000188475 [0,0,0,0,0,0|0,0,4]=4 98 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000188475 [0,0,0,0,0,0|0,0,0]=0 99 B14R1.29 CCOC(=O)CN(C)c1ccccc1 2230a_100000210012_100000188475 [0,0,0,0,0,0|2,0,0]=2 100 B14R1.29 CCOC(=O)CN(C)c1ccccc1 2230a_100000219562_200000210301 [0,0,0,0,0,0|2,0,0]=2 101 B14R1.29 CCOC(=O)CN(C)c1ccccc1 269982a_100000210012_100000188475 [0,0,0,0,0,0|2,0,0]=2 102 B14R1.29 CCOC(=O)CN(C)c1ccccc1 269982a_100000219562_200000210301 [0,0,0,0,0,0|2,0,0]=2 103 B14R1.29 CCOC(=O)CN(C)c1ccccc1 34a_100000210012_100000188475 [0,0,0,0,0,0|2,0,0]=2 104 B14R1.29 CCOC(=O)CN(C)c1cccnn1 27a_100000220588_100016991348 [0,0,0,0,0,0|4,0,0]=4 105 B14R1.29 CCOC(=O)CN(C)c1ccncn1 27a_100000220588_100000703185 [0,0,0,0,0,0|4,0,0]=4 106 B14R1.29 CCOC(=O)CN(C)c1cnccn1 27a_100000220588_100000211759 [0,0,0,0,0,0|4,0,0]=4 107 B14R1.29 CCOC(=O)CN(C)c1ncccn1 27a_100000220588_100000211032 [0,0,0,0,0,0|4,0,0]=4 108 B14R1.29 CCOC(=O)CN([13CH3])c1ccccc1 2230a_100000219562_200025704644 [0,0,0,0,0,0|2,0,0]=2 109 B14R1.29 CCOC(=O)CN([13CH3])c1ccccc1 269982a_100000219562_200025704644 [0,0,0,0,0,0|2,0,0]=2 110 B14R1.29 CN(CC(=O)CCF)c1ccccc1 1458a_100000745425_100011217306 [0,0,0,0,0,0|4,0,0]=4 111 B14R1.29 CN(CC(=O)CCO)c1ccccc1 1458a_100000745425_100000211926 [0,0,0,0,0,0|4,0,0]=4 112 B14R1.29 CN(CC(=O)NCO)c1ccccc1 2230a_100000210012_100000185155 [0,0,0,0,0,0|4,0,0]=4 113 B14R1.29 CN(CC(=O)NCO)c1ccccc1 269982a_100000210012_100000185155 [0,0,0,0,0,0|4,0,0]=4 114 B14R1.29 CN(CC(=O)NCO)c1ccccc1 34a_100000210012_100000185155 [0,0,0,0,0,0|4,0,0]=4 115 B14R1.29 CN(CCO)CC(=O)c1ccccc1 269982a_100000210263_100000211460 [0,0,0,0,0,0|4,0,0]=4 116 B14R1.29 CNCC(=O)NC(=O)c1ccccc1 7a_106832991635_100000010347 [0,0,0,0,0,0|3,0,0]=3 117 B14R1.29 CNNC(=O)C=C(C)c1ccccc1 22a_100016993582_100000743005 [0,0,0,0,0,0|3,0,1]=4 118 B14R1.29 CNNC(=O)CC(C)c1ccccc1 22a_100016993582_100000183687 [0,0,0,0,0,0|3,0,1]=4 119 B14R1.29 CNNC(=O)CC(O)c1ccccc1 22a_100016993582_100000690199 [0,0,0,0,0,0|2,0,2]=4 120 B14R1.29 CNNC(=O)CN(C)c1ccccc1 22a_100016993582_100000745425 [0,0,0,0,0,0|4,0,0]=4 121 B14R1.29 COCC(=O)CC(=O)c1ccccc1 1458a_100000210968_100000211460 [0,0,0,0,0,0|2,0,0]=2 122 B14R1.29 COCC(=O)CC(=O)c1ccccn1 1458a_100000210968_100000027445 [0,0,0,0,0,0|3,0,0]=3 123 B14R1.29 COCC(=O)CC(=O)c1cccnc1 1458a_100000210968_100015188593 [0,0,0,0,0,0|3,0,0]=3 124 B14R1.29 COCC(=O)CC(=O)c1ccncc1 1458a_100000210968_100000027454 [0,0,0,0,0,0|3,0,0]=3 125 B14R1.29 COCC(=O)CC(=O)c1ncccn1 1458a_100000210968_100020636365 [0,0,0,0,0,0|4,0,0]=4 126 B14R1.29 COCC(=O)CC(C)c1ccccc1 1458a_100000210968_100000756946 [0,0,0,0,0,0|3,0,1]=4 127 B14R1.29 COCC(=O)CC(O)c1ccccc1 1458a_100000210968_100000185958 [0,0,0,0,0,0|2,0,2]=4 128 B14R1.29 COCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210968_100011933945 [0,0,0,0,0,0|2,0,2]=4 129 B14R1.29 CSCC(=O)CC(=O)c1ccccc1 1458a_100000184570_100000211460 [0,0,0,0,0,0|2,0,0]=2 130 B14R1.29 CSCC(=O)CC(=O)c1ccccn1 1458a_100000184570_100000027445 [0,0,0,0,0,0|3,0,0]=3 131 B14R1.29 CSCC(=O)CC(=O)c1cccnc1 1458a_100000184570_100015188593 [0,0,0,0,0,0|3,0,0]=3 132 B14R1.29 CSCC(=O)CC(=O)c1ccncc1 1458a_100000184570_100000027454 [0,0,0,0,0,0|3,0,0]=3 133 B14R1.29 CSCC(=O)CC(=O)c1ncccn1 1458a_100000184570_100020636365 [0,0,0,0,0,0|4,0,0]=4 134 B14R1.29 CSCC(=O)CC(C)c1ccccc1 1458a_100000184570_100000756946 [0,0,0,0,0,0|3,0,1]=4 135 B14R1.29 CSCC(=O)CC(O)c1ccccc1 1458a_100000184570_100000185958 [0,0,0,0,0,0|2,0,2]=4 136 B14R1.29 CSCC(=O)C[C@@H](O)c1ccccc1 1458a_100000184570_100011933945 [0,0,0,0,0,0|2,0,2]=4 137 B14R1.29 CSCC(=O)NC(=O)c1ccccc1 62a_200000210301_100000010347 [0,0,0,0,0,0|3,0,0]=3 138 B14R1.29 N#CCC(=O)CC(=O)c1ccccc1 1458a_100051588842_100000211460 [0,0,0,0,0,0|2,0,1]=3 139 B14R1.29 N#CCC(=O)CC(=O)c1ccccn1 1458a_100051588842_100000027445 [0,0,0,0,0,0|3,0,1]=4 140 B14R1.29 N#CCC(=O)CC(=O)c1cccnc1 1458a_100051588842_100015188593 [0,0,0,0,0,0|3,0,1]=4 141 B14R1.29 N#CCC(=O)CC(=O)c1ccncc1 1458a_100051588842_100000027454 [0,0,0,0,0,0|3,0,1]=4 142 B14R1.29 O=C(C=CBr)CC(=O)c1ccccc1 1458a_100016273825_100000211460 [0,0,0,0,0,0|2,0,1]=3 143 B14R1.29 O=C(C=CBr)CC(=O)c1ccccn1 1458a_100016273825_100000027445 [0,0,0,0,0,0|3,0,1]=4 144 B14R1.29 O=C(C=CBr)CC(=O)c1cccnc1 1458a_100016273825_100015188593 [0,0,0,0,0,0|3,0,1]=4 145 B14R1.29 O=C(C=CBr)CC(=O)c1ccncc1 1458a_100016273825_100000027454 [0,0,0,0,0,0|3,0,1]=4 146 B14R1.29 O=C(C=CCl)CC(=O)c1ccccc1 1458a_200016279998_100000211460 [0,0,0,0,0,0|2,0,1]=3 147 B14R1.29 O=C(C=CCl)CC(=O)c1ccccn1 1458a_200016279998_100000027445 [0,0,0,0,0,0|3,0,1]=4 148 B14R1.29 O=C(C=CCl)CC(=O)c1cccnc1 1458a_200016279998_100015188593 [0,0,0,0,0,0|3,0,1]=4 149 B14R1.29 O=C(C=CCl)CC(=O)c1ccncc1 1458a_200016279998_100000027454 [0,0,0,0,0,0|3,0,1]=4 150 B14R1.29 O=C(C=CI)CC(=O)c1ccccc1 1458a_100016256311_100000211460 [0,0,0,0,0,0|2,0,1]=3 151 B14R1.29 O=C(C=CI)CC(=O)c1ccccn1 1458a_100016256311_100000027445 [0,0,0,0,0,0|3,0,1]=4 152 B14R1.29 O=C(C=CI)CC(=O)c1cccnc1 1458a_100016256311_100015188593 [0,0,0,0,0,0|3,0,1]=4 153 B14R1.29 O=C(C=CI)CC(=O)c1ccncc1 1458a_100016256311_100000027454 [0,0,0,0,0,0|3,0,1]=4 154 B14R1.29 O=C(CC(=O)c1ccccc1)NCO 1458a_100000185807_100000185155 [0,0,0,0,0,0|2,0,0]=2 155 B14R1.29 O=C(CCF)CC(O)c1ccccc1 1458a_100000690199_100011217306 [0,0,0,0,0,0|2,0,2]=4 156 B14R1.29 O=C(CCO)CC(=O)c1ccccc1 1458a_100011216618_100000211460 [0,0,0,0,0,0|2,0,0]=2 157 B14R1.29 O=C(CCO)CC(=O)c1ccccn1 1458a_100011216618_100000027445 [0,0,0,0,0,0|3,0,0]=3 158 B14R1.29 O=C(CCO)CC(=O)c1cccnc1 1458a_100011216618_100015188593 [0,0,0,0,0,0|3,0,0]=3 159 B14R1.29 O=C(CCO)CC(=O)c1ccncc1 1458a_100011216618_100000027454 [0,0,0,0,0,0|3,0,0]=3 160 B14R1.29 O=C(CCO)CC(=O)c1ncccn1 1458a_100011216618_100020636365 [0,0,0,0,0,0|4,0,0]=4 161 B14R1.29 O=C(CCO)CC(O)c1ccccc1 1458a_100000690199_100000211926 [0,0,0,0,0,0|2,0,2]=4 162 B14R1.29 O=C(CCO)CC(O)c1ccccc1 1458a_100011216618_100000185958 [0,0,0,0,0,0|2,0,2]=4 163 B14R1.29 O=C(CCO)C[C@@H](O)c1ccccc1 1458a_100011216618_100011933945 [0,0,0,0,0,0|2,0,2]=4 164 B14R1.29 [13CH3]SCC(=O)NC(=O)c1ccccc1 62a_200025704644_100000010347 [0,0,0,0,0,0|3,0,0]=3 165 B13R1.11 C#CC(=O)CC(=O)c1ccccc1 1458a_100000211873_100000211460 [1,0,0,0,0,0|0,0,2]=3 166 B13R1.11 C#CC(=O)CC(=O)c1ccccn1 1458a_100000211873_100000027445 [1,0,0,0,0,0|1,0,2]=4 167 B13R1.11 C#CC(=O)CC(=O)c1cccnc1 1458a_100000211873_100015188593 [1,0,0,0,0,0|1,0,2]=4 168 B13R1.11 C#CC(=O)CC(=O)c1ccncc1 1458a_100000211873_100000027454 [1,0,0,0,0,0|1,0,2]=4 169 B13R1.11 C=C(C#N)CC(=O)c1ccccc1 1458a_100000185807_100000694840 [1,0,0,0,0,0|2,0,1]=4 170 B13R1.11 C=CC(=O)CC(=O)c1ccccc1 1458a_100000185746_100000211460 [1,0,0,0,0,0|0,0,2]=3 171 B13R1.11 C=CC(=O)CC(=O)c1ccccn1 1458a_100000185746_100000027445 [1,0,0,0,0,0|1,0,2]=4 172 B13R1.11 C=CC(=O)CC(=O)c1cccnc1 1458a_100000185746_100015188593 [1,0,0,0,0,0|1,0,2]=4 173 B13R1.11 C=CC(=O)CC(=O)c1ccncc1 1458a_100000185746_100000027454 [1,0,0,0,0,0|1,0,2]=4 174 B13R1.11 CC(=CC(=O)CF)c1ccccc1 1458a_100000743005_100015361967 [1,0,0,0,0,0|2,0,1]=4 175 B13R1.11 CC(CC(=O)CF)c1ccccc1 1458a_100000183687_100015361967 [1,0,0,0,0,0|2,0,1]=4 176 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [1,0,0,0,0,0|2,0,1]=4 177 B13R1.11 CCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210202 [1,0,0,0,0,0|1,0,1]=3 178 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747405 [1,0,0,0,0,0|0,0,0]=1 179 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1458a_100000210414_100000211460 [1,0,0,0,0,0|0,0,0]=1 180 B13R1.11 CCC(=O)CC(=O)c1ccccn1 1458a_100000210414_100000027445 [1,0,0,0,0,0|1,0,0]=2 181 B13R1.11 CCC(=O)CC(=O)c1cccnc1 1458a_100000210414_100015188593 [1,0,0,0,0,0|1,0,0]=2 182 B13R1.11 CCC(=O)CC(=O)c1ccncc1 1458a_100000210414_100000027454 [1,0,0,0,0,0|1,0,0]=2 183 B13R1.11 CCC(=O)CC(=O)c1ncccn1 1458a_100000210414_100020636365 [1,0,0,0,0,0|2,0,0]=3 184 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210202 [1,0,0,0,0,0|1,0,1]=3 185 B13R1.11 CCC(=O)CC(C)c1ccccc1 1458a_100000210414_100000756946 [1,0,0,0,0,0|1,0,1]=3 186 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000210414_100000185958 [1,0,0,0,0,0|0,0,2]=3 187 B13R1.11 CCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210202 [1,0,0,0,0,0|0,0,2]=3 188 B13R1.11 CCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210202 [1,0,0,0,0,0|2,0,0]=3 189 B13R1.11 CCC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747405 [1,0,0,0,0,0|2,0,0]=3 190 B13R1.11 CCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210414_100011933945 [1,0,0,0,0,0|0,0,2]=3 191 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210414 [1,0,0,0,0,0|2,0,1]=4 192 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210414 [1,0,0,0,0,0|2,0,1]=4 193 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210414 [1,0,0,0,0,0|2,0,1]=4 194 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210414 [1,0,0,0,0,0|2,0,1]=4 195 B13R1.11 CCC(C)CC(=O)c1ccccc1 1458a_100000185807_100000748023 [1,0,0,0,0,0|1,0,1]=3 196 B13R1.11 CCC(C)NC(=O)c1ccccc1 11a_100000209981_100000185807 [1,0,0,0,0,0|2,0,1]=4 197 B13R1.11 CCC(C)NC(=O)c1ccccc1 1626a_100000209981_100000185807 [1,0,0,0,0,0|2,0,1]=4 198 B13R1.11 CCC(C)NC(=O)c1ccccc1 240690a_100000209981_100000185807 [1,0,0,0,0,0|2,0,1]=4 199 B13R1.11 CCC(C)NC(=O)c1ccccc1 527a_100000209981_100000185807 [1,0,0,0,0,0|2,0,1]=4 200 B13R1.11 CCC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218378 [1,0,0,0,0,0|0,0,2]=3 201 B13R1.11 CCN(C)CC(=O)c1ccccc1 269982a_100000225621_100000211460 [1,0,0,0,0,0|2,0,0]=3 202 B13R1.11 CCN(C)CC(=O)c1ccccn1 269982a_100000225621_100000027445 [1,0,0,0,0,0|3,0,0]=4 203 B13R1.11 CCN(C)CC(=O)c1cccnc1 269982a_100000225621_100000757877 [1,0,0,0,0,0|3,0,0]=4 204 B13R1.11 CCN(C)CC(=O)c1ccncc1 269982a_100000225621_100000027454 [1,0,0,0,0,0|3,0,0]=4 205 B13R1.11 CCN(C)CS(=O)c1ccccc1 269982a_100000225621_100000031784 [1,0,0,0,0,0|3,0,0]=4 206 B13R1.11 CC[C@H](C)CC(=O)c1ccccc1 1458a_100000185807_100009816398 [1,0,0,0,0,0|1,0,1]=3 207 B13R1.11 CN(CC(=O)CF)c1ccccc1 1458a_100000745425_100015361967 [1,0,0,0,0,0|3,0,0]=4 208 B13R1.11 CNC(=O)C=C(C)c1ccccc1 11a_106832991635_100000743005 [1,0,0,0,0,0|2,0,1]=4 209 B13R1.11 CNC(=O)C=C(C)c1ccccc1 1626a_100102657272_100000743005 [1,0,0,0,0,0|2,0,1]=4 210 B13R1.11 CNC(=O)C=C(C)c1ccccc1 240690a_100102657272_100000743005 [1,0,0,0,0,0|2,0,1]=4 211 B13R1.11 CNC(=O)C=C(C)c1ccccc1 527a_100102657272_100000743005 [1,0,0,0,0,0|2,0,1]=4 212 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183359 [1,0,0,0,0,0|1,0,0]=2 213 B13R1.11 CNC(=O)CC(C)c1ccccc1 11a_106832991635_100000183687 [1,0,0,0,0,0|2,0,1]=4 214 B13R1.11 CNC(=O)CC(C)c1ccccc1 1626a_100102657272_100000183687 [1,0,0,0,0,0|2,0,1]=4 215 B13R1.11 CNC(=O)CC(C)c1ccccc1 240690a_100102657272_100000183687 [1,0,0,0,0,0|2,0,1]=4 216 B13R1.11 CNC(=O)CC(C)c1ccccc1 527a_100102657272_100000183687 [1,0,0,0,0,0|2,0,1]=4 217 B13R1.11 CNC(=O)CC(O)c1ccccc1 240690a_100102657272_100000690199 [1,0,0,0,0,0|1,0,2]=4 218 B13R1.11 CNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183359 [1,0,0,0,0,0|3,0,0]=4 219 B13R1.11 CNC(=O)CN(C)c1ccccc1 240690a_100102657272_100000745425 [1,0,0,0,0,0|3,0,0]=4 220 B13R1.11 CNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183359 [1,0,0,0,0,0|3,0,0]=4 221 B13R1.11 CNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183359 [1,0,0,0,0,0|3,0,0]=4 222 B13R1.11 CNC(=O)CN(C)c1ccccc1 527a_100102657272_100000745425 [1,0,0,0,0,0|3,0,0]=4 223 B13R1.11 COC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000747449 [1,0,0,0,0,0|0,0,0]=1 224 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000210012_100000747449 [1,0,0,0,0,0|2,0,0]=3 225 B13R1.11 COC(=O)CN(C)c1ccccc1 2230a_100000757779_200000210301 [1,0,0,0,0,0|2,0,0]=3 226 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000210012_100000747449 [1,0,0,0,0,0|2,0,0]=3 227 B13R1.11 COC(=O)CN(C)c1ccccc1 269982a_100000757779_200000210301 [1,0,0,0,0,0|2,0,0]=3 228 B13R1.11 COC(=O)CN(C)c1ccccc1 34a_100000210012_100000747449 [1,0,0,0,0,0|2,0,0]=3 229 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 2230a_100000757779_200025704644 [1,0,0,0,0,0|2,0,0]=3 230 B13R1.11 COC(=O)CN([13CH3])c1ccccc1 269982a_100000757779_200025704644 [1,0,0,0,0,0|2,0,0]=3 231 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [1,0,0,0,0,0|2,0,1]=4 232 B13R1.11 O=C(CF)CC(O)c1ccccc1 1458a_100000690199_100015361967 [1,0,0,0,0,0|1,0,2]=4 233 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [1,0,0,0,0,0|1,0,0]=2 234 B13R1.11 O=C(CO)CC(=O)c1ccccn1 1458a_100000210174_100000027445 [1,0,0,0,0,0|2,0,0]=3 235 B13R1.11 O=C(CO)CC(=O)c1cccnc1 1458a_100000210174_100015188593 [1,0,0,0,0,0|2,0,0]=3 236 B13R1.11 O=C(CO)CC(=O)c1ccncc1 1458a_100000210174_100000027454 [1,0,0,0,0,0|2,0,0]=3 237 B13R1.11 O=C(CO)CC(=O)c1ncccn1 1458a_100000210174_100020636365 [1,0,0,0,0,0|3,0,0]=4 238 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [1,0,0,0,0,0|1,0,2]=4 239 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [1,0,0,0,0,0|1,0,2]=4 240 B13R1.24 C=COCCC(=O)c1ccccc1 1458a_100000185807_100000039644 [1,0,0,0,0,0|0,0,3]=4 241 B13R1.24 CC/C=C\CC(=O)c1ccccc1 1458a_100000185807_100103147603 [1,0,0,0,0,0|1,0,0]=2 242 B13R1.24 CC/C=C\CN(C)c1ccccc1 2230a_100000210012_100103147603 [1,0,0,0,0,0|3,0,0]=4 243 B13R1.24 CC/C=C\CN(C)c1ccccc1 269982a_100000210012_100103147603 [1,0,0,0,0,0|3,0,0]=4 244 B13R1.24 CC/C=C\CN(C)c1ccccc1 34a_100000210012_100103147603 [1,0,0,0,0,0|3,0,0]=4 245 B13R1.24 CCC#CCC(=O)c1ccccc1 1458a_100000185807_100009813939 [1,0,0,0,0,0|1,0,1]=3 246 B13R1.24 CCC=NNC(=O)c1ccccc1 4a_100000184135_100000210100 [1,0,0,0,0,0|3,0,0]=4 247 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [1,0,0,0,0,0|1,0,1]=3 248 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [1,0,0,0,0,0|2,0,1]=4 249 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [1,0,0,0,0,0|2,0,1]=4 250 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [1,0,0,0,0,0|2,0,1]=4 251 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [1,0,0,0,0,0|2,0,1]=4 252 B13R1.24 CCCNNC(=O)c1ccccc1 22a_100000740057_100000185807 [1,0,0,0,0,0|3,0,0]=4 253 B13R1.24 CCCOCC(=O)c1ccccn1 34a_100000210258_100000027445 [1,0,0,0,0,0|3,0,0]=4 254 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [1,0,0,0,0,0|2,0,0]=3 255 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [1,0,0,0,0,0|2,0,0]=3 256 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000027445_100000210303 [1,0,0,0,0,0|3,0,0]=4 257 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000210303_100000027445 [1,0,0,0,0,0|3,0,0]=4 258 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000210303_100000757877 [1,0,0,0,0,0|3,0,0]=4 259 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000757877_100000210303 [1,0,0,0,0,0|3,0,0]=4 260 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000027454_100000210303 [1,0,0,0,0,0|3,0,0]=4 261 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000210303_100000027454 [1,0,0,0,0,0|3,0,0]=4 262 B13R1.24 CCCSCS(=O)c1ccccc1 62a_100000210303_100000031784 [1,0,0,0,0,0|3,0,0]=4 263 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [1,0,0,0,0,0|1,0,1]=3 264 B13R1.24 CCNCCS(=O)c1ccccc1 2230a_100015525214_100000740319 [1,0,0,0,0,0|2,0,1]=4 265 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [1,0,0,0,0,0|0,0,1]=2 266 B13R1.24 CCOCCN(C)c1ccccc1 2230a_100000210012_100011215890 [1,0,0,0,0,0|2,0,1]=4 267 B13R1.24 CCOCCN(C)c1ccccc1 269982a_100000210012_100011215890 [1,0,0,0,0,0|2,0,1]=4 268 B13R1.24 CCOCCN(C)c1ccccc1 34a_100000210012_100000210147 [1,0,0,0,0,0|2,0,1]=4 269 B13R1.24 CCOCC[C@@H](O)c1ccccc1 34a_100121572206_100000729684 [1,0,0,0,0,0|0,0,3]=4 270 B13R1.24 CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210202 [1,0,0,0,0,0|1,0,2]=4 271 B13R1.24 CCSCCC(=O)c1ccccc1 1458a_100000185807_100000757381 [1,0,0,0,0,0|0,1,1]=3 272 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000210202_100000750707 [1,0,0,0,0,0|0,1,1]=3 273 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000750707_100000210202 [1,0,0,0,0,0|0,1,1]=3 274 B13R1.24 CCSCCS(=O)c1ccccc1 62a_100000210202_100000740319 [1,0,0,0,0,0|1,1,1]=4 275 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000073877_100000210202 [1,0,0,0,0,0|1,1,1]=4 276 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000210202_100000073877 [1,0,0,0,0,0|1,1,1]=4 277 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [1,0,0,0,0,0|2,0,1]=4 278 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [1,0,0,0,0,0|2,0,1]=4 279 B13R1.24 COCCCC(=O)c1ccccc1 1458a_100000185807_100000740836 [1,0,0,0,0,0|2,0,1]=4 280 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000211460_100000766300 [1,0,0,0,0,0|3,0,0]=4 281 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000766300_100000211460 [1,0,0,0,0,0|3,0,0]=4 282 B13R1.24 CSCCCC(=O)c1ccccc1 62a_100000211006_200000210301 [1,0,0,0,0,0|2,0,1]=4 283 B13R1.24 CSCCCC(=O)c1ccccc1 62a_200000210301_100000211006 [1,0,0,0,0,0|2,0,1]=4 284 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100000211460_100011218213 [1,0,0,0,0,0|3,0,0]=4 285 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100011218213_100000211460 [1,0,0,0,0,0|3,0,0]=4 286 B13R1.24 O=C(CC#CCO)c1ccccc1 1458a_100000185807_200000047223 [1,0,0,0,0,0|2,0,1]=4 287 B13R1.24 O=C(CCCCF)c1ccccc1 1458a_100000185807_100000729493 [1,0,0,0,0,0|2,0,1]=4 288 B13R1.24 O=C(CCCCO)c1ccccc1 1458a_100000185807_100000210776 [1,0,0,0,0,0|2,0,1]=4 289 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100000750707_100015361967 [1,0,0,0,0,0|1,1,1]=4 290 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100015361967_100000750707 [1,0,0,0,0,0|1,1,1]=4 291 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100000211460_100011217306 [1,0,0,0,0,0|3,0,0]=4 292 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100011217306_100000211460 [1,0,0,0,0,0|3,0,0]=4 293 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211460_100000211926 [1,0,0,0,0,0|3,0,0]=4 294 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211926_100000211460 [1,0,0,0,0,0|3,0,0]=4 295 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_100000211006_200025704644 [1,0,0,0,0,0|2,0,1]=4 296 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_200025704644_100000211006 [1,0,0,0,0,0|2,0,1]=4 297 B13R1.42 C=COC(=O)CNc1ccccc1 34a_100000106764_100000036128 [1,0,0,0,0,0|1,0,2]=4 298 B13R1.42 C=COC(=O)COc1ccccc1 34a_100000210340_100000036128 [1,0,0,0,0,0|1,0,2]=4 299 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000036128_100000041952 [1,0,0,0,0,0|1,0,2]=4 300 B13R1.42 C=COC(=O)CSc1ccccc1 62a_100000719477_100000036128 [1,0,0,0,0,0|1,0,2]=4 301 B13R1.42 CC#CC(=O)CCc1ccccc1 1458a_100000763181_100000765856 [1,0,0,0,0,0|1,0,2]=4 302 B13R1.42 CC=CC(=O)CCc1ccccc1 1458a_100000210699_100000765856 [1,0,0,0,0,0|1,0,2]=4 303 B13R1.42 CCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210303 [1,0,0,0,0,0|1,0,2]=4 304 B13R1.42 CCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210303 [1,0,0,0,0,0|1,0,1]=3 305 B13R1.42 CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210303 [1,0,0,0,0,0|2,0,1]=4 306 B13R1.42 CCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210303 [1,0,0,0,0,0|2,0,1]=4 307 B13R1.42 CCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210303 [1,0,0,0,0,0|2,0,1]=4 308 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [1,0,0,0,0,0|1,0,1]=3 309 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [1,0,0,0,0,0|1,0,1]=3 310 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100000211992_100015183660 [1,0,0,0,0,0|2,0,1]=4 311 B13R1.42 CCCC(=O)CCc1ccccn1 1458a_100015195070_100000210303 [1,0,0,0,0,0|2,0,1]=4 312 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000198484_100000210303 [1,0,0,0,0,0|2,0,1]=4 313 B13R1.42 CCCC(=O)CCc1cccnc1 1458a_100000211992_200011713674 [1,0,0,0,0,0|2,0,1]=4 314 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100000211992_100000723409 [1,0,0,0,0,0|2,0,1]=4 315 B13R1.42 CCCC(=O)CCc1ccncc1 1458a_100011225043_100000210303 [1,0,0,0,0,0|2,0,1]=4 316 B13R1.42 CCCC(=O)COc1ccccc1 1458a_100000186222_100000210303 [1,0,0,0,0,0|2,0,0]=3 317 B13R1.42 CCCC(=O)COc1ccccc1 7a_100000210340_100000747444 [1,0,0,0,0,0|2,0,0]=3 318 B13R1.42 CCCC(=O)COc1ccccn1 1458a_100102699861_100000210303 [1,0,0,0,0,0|3,0,0]=4 319 B13R1.42 CCCC(=O)COc1cccnc1 1458a_100015207166_100000210303 [1,0,0,0,0,0|3,0,0]=4 320 B13R1.42 CCCC(=O)COc1cccnc1 7a_100000210849_100000747444 [1,0,0,0,0,0|3,0,0]=4 321 B13R1.42 CCCC(=O)CSc1ccccc1 1458a_100000211596_100000210303 [1,0,0,0,0,0|2,0,0]=3 322 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000719477_100000747444 [1,0,0,0,0,0|2,0,0]=3 323 B13R1.42 CCCC(=O)CSc1ccccc1 62a_100000747444_100000041952 [1,0,0,0,0,0|2,0,0]=3 324 B13R1.42 CCCC(=O)CSc1ccccn1 1458a_100000156281_100000210303 [1,0,0,0,0,0|3,0,0]=4 325 B13R1.42 CCCC(=O)CSc1ccccn1 62a_100000747444_100011216584 [1,0,0,0,0,0|3,0,0]=4 326 B13R1.42 CCCC(=O)CSc1ccccn1 62a_100011216584_100000747444 [1,0,0,0,0,0|3,0,0]=4 327 B13R1.42 CCCC(=O)CSc1cccnc1 62a_100000210063_100000747444 [1,0,0,0,0,0|3,0,0]=4 328 B13R1.42 CCCC(=O)CSc1cccnc1 62a_100000747444_100000210063 [1,0,0,0,0,0|3,0,0]=4 329 B13R1.42 CCCC(=O)CSc1ccncc1 1458a_100000211328_100000210303 [1,0,0,0,0,0|3,0,0]=4 330 B13R1.42 CCCC(=O)CSc1ccncc1 62a_100000728582_100000747444 [1,0,0,0,0,0|3,0,0]=4 331 B13R1.42 CCCC(=O)CSc1ccncc1 62a_100000747444_100000728582 [1,0,0,0,0,0|3,0,0]=4 332 B13R1.42 CCCC(=O)NCc1ccccc1 11a_100015324214_100000211992 [1,0,0,0,0,0|2,0,1]=4 333 B13R1.42 CCCC(=O)NCc1ccccc1 1626a_100015324214_100000211992 [1,0,0,0,0,0|2,0,1]=4 334 B13R1.42 CCCC(=O)NCc1ccccc1 240690a_100015324214_100000211992 [1,0,0,0,0,0|2,0,1]=4 335 B13R1.42 CCCC(=O)NCc1ccccc1 527a_100015324214_100000211992 [1,0,0,0,0,0|2,0,1]=4 336 B13R1.42 CCCC(=O)NNc1ccccc1 22a_100015195140_100000211992 [1,0,0,0,0,0|3,0,0]=4 337 B13R1.42 CCNC(=O)C#Cc1ccccc1 240690a_100015525214_100000736102 [1,0,0,0,0,0|1,0,2]=4 338 B13R1.42 CCNC(=O)C=Cc1ccccc1 11a_100015525214_100000210462 [1,0,0,0,0,0|1,0,1]=3 339 B13R1.42 CCNC(=O)C=Cc1ccccn1 11a_100015525214_100000740811 [1,0,0,0,0,0|2,0,1]=4 340 B13R1.42 CCNC(=O)C=Cc1ccccn1 240690a_100015525214_100000740811 [1,0,0,0,0,0|2,0,1]=4 341 B13R1.42 CCNC(=O)C=Cc1cccnc1 11a_100015525214_100000735890 [1,0,0,0,0,0|2,0,1]=4 342 B13R1.42 CCNC(=O)C=Cc1cccnc1 240690a_100015525214_100000735890 [1,0,0,0,0,0|2,0,1]=4 343 B13R1.42 CCNC(=O)C=Cc1ccncc1 240690a_100015525214_100000682801 [1,0,0,0,0,0|2,0,1]=4 344 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [1,0,0,0,0,0|1,0,1]=3 345 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [1,0,0,0,0,0|1,0,1]=3 346 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [1,0,0,0,0,0|1,0,1]=3 347 B13R1.42 CCNC(=O)CCc1ccccn1 11a_100015525214_100015195070 [1,0,0,0,0,0|2,0,1]=4 348 B13R1.42 CCNC(=O)CCc1ccccn1 240690a_100015525214_100015195070 [1,0,0,0,0,0|2,0,1]=4 349 B13R1.42 CCNC(=O)CCc1ccccn1 527a_100015525214_100015195070 [1,0,0,0,0,0|2,0,1]=4 350 B13R1.42 CCNC(=O)CCc1cccnc1 11a_100015525214_100000198484 [1,0,0,0,0,0|2,0,1]=4 351 B13R1.42 CCNC(=O)CCc1cccnc1 240690a_100015525214_100000198484 [1,0,0,0,0,0|2,0,1]=4 352 B13R1.42 CCNC(=O)CCc1cccnc1 527a_100015525214_100000198484 [1,0,0,0,0,0|2,0,1]=4 353 B13R1.42 CCNC(=O)CCc1ccncc1 11a_100015525214_100011225043 [1,0,0,0,0,0|2,0,1]=4 354 B13R1.42 CCNC(=O)CCc1ccncc1 240690a_100015525214_100011225043 [1,0,0,0,0,0|2,0,1]=4 355 B13R1.42 CCNC(=O)CCc1ccncc1 527a_100015525214_100011225043 [1,0,0,0,0,0|2,0,1]=4 356 B13R1.42 CCNC(=O)CNc1ccccc1 34a_100000106764_100000183381 [1,0,0,0,0,0|2,0,0]=3 357 B13R1.42 CCNC(=O)COc1ccccc1 11a_100015525214_100000186222 [1,0,0,0,0,0|2,0,0]=3 358 B13R1.42 CCNC(=O)COc1ccccc1 240690a_100015525214_100000186222 [1,0,0,0,0,0|2,0,0]=3 359 B13R1.42 CCNC(=O)COc1ccccc1 34a_100000210340_100000183381 [1,0,0,0,0,0|2,0,0]=3 360 B13R1.42 CCNC(=O)COc1ccccc1 527a_100015525214_100000186222 [1,0,0,0,0,0|2,0,0]=3 361 B13R1.42 CCNC(=O)COc1ccccc1 7a_100000210340_100000183381 [1,0,0,0,0,0|2,0,0]=3 362 B13R1.42 CCNC(=O)COc1ccccn1 240690a_100015525214_100102699861 [1,0,0,0,0,0|3,0,0]=4 363 B13R1.42 CCNC(=O)COc1ccccn1 527a_100015525214_100102699861 [1,0,0,0,0,0|3,0,0]=4 364 B13R1.42 CCNC(=O)COc1cccnc1 11a_100015525214_100015207166 [1,0,0,0,0,0|3,0,0]=4 365 B13R1.42 CCNC(=O)COc1cccnc1 240690a_100015525214_100015207166 [1,0,0,0,0,0|3,0,0]=4 366 B13R1.42 CCNC(=O)COc1cccnc1 34a_100000210849_100000183381 [1,0,0,0,0,0|3,0,0]=4 367 B13R1.42 CCNC(=O)COc1cccnc1 527a_100015525214_100015207166 [1,0,0,0,0,0|3,0,0]=4 368 B13R1.42 CCNC(=O)COc1cccnc1 7a_100000210849_100000183381 [1,0,0,0,0,0|3,0,0]=4 369 B13R1.42 CCNC(=O)COc1ccncc1 34a_100000212176_100000183381 [1,0,0,0,0,0|3,0,0]=4 370 B13R1.42 CCNC(=O)CSc1ccccc1 11a_100015525214_100000211596 [1,0,0,0,0,0|2,0,0]=3 371 B13R1.42 CCNC(=O)CSc1ccccc1 240690a_100015525214_100000211596 [1,0,0,0,0,0|2,0,0]=3 372 B13R1.42 CCNC(=O)CSc1ccccc1 527a_100015525214_100000211596 [1,0,0,0,0,0|2,0,0]=3 373 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000183381_100000041952 [1,0,0,0,0,0|2,0,0]=3 374 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000719477_100000183381 [1,0,0,0,0,0|2,0,0]=3 375 B13R1.42 CCNC(=O)CSc1ccccn1 11a_100015525214_100000156281 [1,0,0,0,0,0|3,0,0]=4 376 B13R1.42 CCNC(=O)CSc1ccccn1 240690a_100015525214_100000156281 [1,0,0,0,0,0|3,0,0]=4 377 B13R1.42 CCNC(=O)CSc1ccccn1 527a_100015525214_100000156281 [1,0,0,0,0,0|3,0,0]=4 378 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100000183381_100011216584 [1,0,0,0,0,0|3,0,0]=4 379 B13R1.42 CCNC(=O)CSc1ccccn1 62a_100011216584_100000183381 [1,0,0,0,0,0|3,0,0]=4 380 B13R1.42 CCNC(=O)CSc1cccnc1 62a_100000183381_100000210063 [1,0,0,0,0,0|3,0,0]=4 381 B13R1.42 CCNC(=O)CSc1cccnc1 62a_100000210063_100000183381 [1,0,0,0,0,0|3,0,0]=4 382 B13R1.42 CCNC(=O)CSc1ccncc1 11a_100015525214_100000211328 [1,0,0,0,0,0|3,0,0]=4 383 B13R1.42 CCNC(=O)CSc1ccncc1 240690a_100015525214_100000211328 [1,0,0,0,0,0|3,0,0]=4 384 B13R1.42 CCNC(=O)CSc1ccncc1 527a_100015525214_100000211328 [1,0,0,0,0,0|3,0,0]=4 385 B13R1.42 CCNC(=O)CSc1ccncc1 62a_100000183381_100000728582 [1,0,0,0,0,0|3,0,0]=4 386 B13R1.42 CCNC(=O)CSc1ccncc1 62a_100000728582_100000183381 [1,0,0,0,0,0|3,0,0]=4 387 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015324214_100015525214 [1,0,0,0,0,0|2,0,1]=4 388 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015525214_100015324214 [1,0,0,0,0,0|2,0,1]=4 389 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015324214_100015525214 [1,0,0,0,0,0|2,0,1]=4 390 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015525214_100015324214 [1,0,0,0,0,0|2,0,1]=4 391 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015324214_100015525214 [1,0,0,0,0,0|2,0,1]=4 392 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015525214_100015324214 [1,0,0,0,0,0|2,0,1]=4 393 B13R1.42 CCNC(=O)NNc1ccccc1 273464a_100015525214_100015195140 [1,0,0,0,0,0|3,0,0]=4 394 B13R1.42 CCNC(=O)NNc1ccccc1 512a_100015525214_100015195140 [1,0,0,0,0,0|3,0,0]=4 395 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [1,0,0,0,0,0|0,0,1]=2 396 B13R1.42 CCOC(=O)C=Cc1ccccn1 271570a_100010199719_100011216584 [1,0,0,0,0,0|1,0,1]=3 397 B13R1.42 CCOC(=O)C=Cc1cccnc1 271570a_100010199719_100000752921 [1,0,0,0,0,0|1,0,1]=3 398 B13R1.42 CCOC(=O)C=Cc1cccnn1 271570a_100010199719_100016991348 [1,0,0,0,0,0|2,0,1]=4 399 B13R1.42 CCOC(=O)C=Cc1ccncc1 271570a_100010199719_100000035832 [1,0,0,0,0,0|1,0,1]=3 400 B13R1.42 CCOC(=O)C=Cc1ccncn1 271570a_100010199719_100000703185 [1,0,0,0,0,0|2,0,1]=4 401 B13R1.42 CCOC(=O)C=Cc1ccnnc1 271570a_100010199719_100000732662 [1,0,0,0,0,0|2,0,1]=4 402 B13R1.42 CCOC(=O)C=Cc1cnccn1 271570a_100010199719_100000758340 [1,0,0,0,0,0|2,0,1]=4 403 B13R1.42 CCOC(=O)C=Cc1cncnc1 271570a_100010199719_100011206942 [1,0,0,0,0,0|2,0,1]=4 404 B13R1.42 CCOC(=O)C=Cc1ncccn1 271570a_100010199719_100000211032 [1,0,0,0,0,0|2,0,1]=4 405 B13R1.42 CCOC(=O)CNc1ccccc1 34a_100000106764_100000188475 [1,0,0,0,0,0|1,0,0]=2 406 B13R1.42 CCOC(=O)COc1ccccc1 34a_100000210340_100000188475 [1,0,0,0,0,0|1,0,0]=2 407 B13R1.42 CCOC(=O)COc1ccccc1 7a_100000210340_100000188475 [1,0,0,0,0,0|1,0,0]=2 408 B13R1.42 CCOC(=O)COc1cccnc1 34a_100000210849_100000188475 [1,0,0,0,0,0|2,0,0]=3 409 B13R1.42 CCOC(=O)COc1cccnc1 7a_100000210849_100000188475 [1,0,0,0,0,0|2,0,0]=3 410 B13R1.42 CCOC(=O)COc1ccncc1 34a_100000212176_100000188475 [1,0,0,0,0,0|2,0,0]=3 411 B13R1.42 CCOC(=O)COc1ccnnc1 34a_100015204005_100000188475 [1,0,0,0,0,0|3,0,0]=4 412 B13R1.42 CCOC(=O)COc1cncnc1 7a_100000754086_100000188475 [1,0,0,0,0,0|3,0,0]=4 413 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000188475_100000041952 [1,0,0,0,0,0|1,0,0]=2 414 B13R1.42 CCOC(=O)CSc1ccccc1 62a_100000719477_100000188475 [1,0,0,0,0,0|1,0,0]=2 415 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100000188475_100011216584 [1,0,0,0,0,0|2,0,0]=3 416 B13R1.42 CCOC(=O)CSc1ccccn1 62a_100011216584_100000188475 [1,0,0,0,0,0|2,0,0]=3 417 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000188475_100000210063 [1,0,0,0,0,0|2,0,0]=3 418 B13R1.42 CCOC(=O)CSc1cccnc1 62a_100000210063_100000188475 [1,0,0,0,0,0|2,0,0]=3 419 B13R1.42 CCOC(=O)CSc1cccnn1 62a_100000188475_100016991348 [1,0,0,0,0,0|3,0,0]=4 420 B13R1.42 CCOC(=O)CSc1cccnn1 62a_100016991348_100000188475 [1,0,0,0,0,0|3,0,0]=4 421 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000188475_100000728582 [1,0,0,0,0,0|2,0,0]=3 422 B13R1.42 CCOC(=O)CSc1ccncc1 62a_100000728582_100000188475 [1,0,0,0,0,0|2,0,0]=3 423 B13R1.42 CCOC(=O)CSc1ccncn1 62a_100000188475_100000703185 [1,0,0,0,0,0|3,0,0]=4 424 B13R1.42 CCOC(=O)CSc1ccncn1 62a_100000703185_100000188475 [1,0,0,0,0,0|3,0,0]=4 425 B13R1.42 CCOC(=O)CSc1ccnnc1 62a_100000188475_100000732662 [1,0,0,0,0,0|3,0,0]=4 426 B13R1.42 CCOC(=O)CSc1ccnnc1 62a_100000732662_100000188475 [1,0,0,0,0,0|3,0,0]=4 427 B13R1.42 CCOC(=O)CSc1cnccn1 62a_100000188475_100000211759 [1,0,0,0,0,0|3,0,0]=4 428 B13R1.42 CCOC(=O)CSc1cnccn1 62a_100000211759_100000188475 [1,0,0,0,0,0|3,0,0]=4 429 B13R1.42 CCOC(=O)CSc1cncnc1 62a_100000188475_100011206942 [1,0,0,0,0,0|3,0,0]=4 430 B13R1.42 CCOC(=O)CSc1cncnc1 62a_100011206942_100000188475 [1,0,0,0,0,0|3,0,0]=4 431 B13R1.42 CCOC(=O)CSc1ncccn1 62a_100000188475_100000211032 [1,0,0,0,0,0|3,0,0]=4 432 B13R1.42 CCOC(=O)CSc1ncccn1 62a_100000211032_100000188475 [1,0,0,0,0,0|3,0,0]=4 433 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [1,0,0,0,0,0|2,0,1]=4 434 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [1,0,0,0,0,0|2,0,1]=4 435 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [1,0,0,0,0,0|1,0,2]=4 436 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [1,0,0,0,0,0|1,0,2]=4 437 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [1,0,0,0,0,0|2,0,1]=4 438 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [1,0,0,0,0,0|2,0,1]=4 439 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [1,0,0,0,0,0|2,0,1]=4 440 B13R1.42 CNNC(=O)C=Cc1ccccc1 22a_100016993582_100000210462 [1,0,0,0,0,0|2,0,1]=4 441 B13R1.42 CNNC(=O)CCc1ccccc1 22a_100016993582_100000185753 [1,0,0,0,0,0|2,0,1]=4 442 B13R1.42 CNNC(=O)COc1ccccc1 22a_100016993582_100000186222 [1,0,0,0,0,0|3,0,0]=4 443 B13R1.42 CNNC(=O)CSc1ccccc1 22a_100016993582_100000211596 [1,0,0,0,0,0|3,0,0]=4 444 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [1,0,0,0,0,0|2,0,1]=4 445 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [1,0,0,0,0,0|2,0,1]=4 446 B13R1.42 CSCC(=O)CCc1ccccc1 1458a_100000184570_100000765856 [1,0,0,0,0,0|2,0,1]=4 447 B13R1.42 CSCC(=O)CCc1ccccc1 62a_100012361361_200000210301 [1,0,0,0,0,0|2,0,1]=4 448 B13R1.42 CSCC(=O)CCc1ccccc1 62a_200000210301_100012361361 [1,0,0,0,0,0|2,0,1]=4 449 B13R1.42 O=C(C=Cc1ccccc1)CCF 1458a_100000210462_100011217306 [1,0,0,0,0,0|2,0,1]=4 450 B13R1.42 O=C(C=Cc1ccccc1)CCO 1458a_100000210462_100000211926 [1,0,0,0,0,0|2,0,1]=4 451 B13R1.42 O=C(CCF)CCc1ccccc1 1458a_100000185753_100011217306 [1,0,0,0,0,0|2,0,1]=4 452 B13R1.42 O=C(CCF)COc1ccccc1 1458a_100000186222_100011217306 [1,0,0,0,0,0|3,0,0]=4 453 B13R1.42 O=C(CCF)CSc1ccccc1 1458a_100000211596_100011217306 [1,0,0,0,0,0|3,0,0]=4 454 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [1,0,0,0,0,0|2,0,1]=4 455 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [1,0,0,0,0,0|2,0,1]=4 456 B13R1.42 O=C(CCO)COc1ccccc1 1458a_100000186222_100000211926 [1,0,0,0,0,0|3,0,0]=4 457 B13R1.42 O=C(CCO)CSc1ccccc1 1458a_100000211596_100000211926 [1,0,0,0,0,0|3,0,0]=4 458 B13R1.42 O=C(CNc1ccccc1)NCO 34a_100000106764_100000185155 [1,0,0,0,0,0|3,0,0]=4 459 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [1,0,0,0,0,0|3,0,0]=4 460 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [1,0,0,0,0,0|3,0,0]=4 461 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000185155_100000041952 [1,0,0,0,0,0|3,0,0]=4 462 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000719477_100000185155 [1,0,0,0,0,0|3,0,0]=4 463 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_100012361361_200025704644 [1,0,0,0,0,0|2,0,1]=4 464 B13R1.42 [13CH3]SCC(=O)CCc1ccccc1 62a_200025704644_100012361361 [1,0,0,0,0,0|2,0,1]=4 465 B15R1.23 C#CCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100011220946_100000188085 [0,1,0,0,0,0|1,0,2]=4 466 B15R1.23 C#CCC(=O)CC(=O)c1ccc(cc1)C 1458a_100011220946_100000211441 [0,1,0,0,0,0|1,0,2]=4 467 B15R1.23 C#CCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100011220946_100000211071 [0,1,0,0,0,0|1,0,2]=4 468 B15R1.23 C#CCC(=O)CC(=O)c1ccc(cc1)F 1458a_100011220946_100000211279 [0,1,0,0,0,0|1,0,2]=4 469 B15R1.23 C#CCC(=O)CC(=O)c1ccc(cc1)I 1458a_100011220946_100011216261 [0,1,0,0,0,0|1,0,2]=4 470 B15R1.23 C#CCC(=O)CC(=O)c1ccc(cc1)O 1458a_100011220946_100009814261 [0,1,0,0,0,0|1,0,2]=4 471 B15R1.23 C=CCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000210193_100000188085 [0,1,0,0,0,0|1,0,2]=4 472 B15R1.23 C=CCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000210193_100000211441 [0,1,0,0,0,0|1,0,2]=4 473 B15R1.23 C=CCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210193_100000211071 [0,1,0,0,0,0|1,0,2]=4 474 B15R1.23 C=CCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000210193_100000211279 [0,1,0,0,0,0|1,0,2]=4 475 B15R1.23 C=CCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000210193_100011216261 [0,1,0,0,0,0|1,0,2]=4 476 B15R1.23 C=CCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000210193_100009814261 [0,1,0,0,0,0|1,0,2]=4 477 B15R1.23 C=COC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000036128 [0,1,0,0,0,0|0,0,2]=3 478 B15R1.23 C=COC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000036128 [0,1,0,0,0,0|0,0,2]=3 479 B15R1.23 C=COC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000036128 [0,1,0,0,0,0|0,0,2]=3 480 B15R1.23 C=COC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000036128 [0,1,0,0,0,0|0,0,2]=3 481 B15R1.23 C=COC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000036128 [0,1,0,0,0,0|0,0,2]=3 482 B15R1.23 C=COC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000036128 [0,1,0,0,0,0|0,0,2]=3 483 B15R1.23 CC#CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000763181_100000188085 [0,1,0,0,0,0|1,0,1]=3 484 B15R1.23 CC#CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000763181_100000211441 [0,1,0,0,0,0|1,0,1]=3 485 B15R1.23 CC#CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000763181_100000211071 [0,1,0,0,0,0|1,0,1]=3 486 B15R1.23 CC#CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000763181_100000211279 [0,1,0,0,0,0|1,0,1]=3 487 B15R1.23 CC#CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000763181_100011216261 [0,1,0,0,0,0|1,0,1]=3 488 B15R1.23 CC#CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000763181_100009814261 [0,1,0,0,0,0|1,0,1]=3 489 B15R1.23 CC#CC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100000763181_100016989621 [0,1,0,0,0,0|2,0,1]=4 490 B15R1.23 CC#CC(=O)CC(=O)c1ccc(nc1)C 1458a_100000763181_100012027583 [0,1,0,0,0,0|2,0,1]=4 491 B15R1.23 CC#CC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100000763181_100009864725 [0,1,0,0,0,0|2,0,1]=4 492 B15R1.23 CC=CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000210699_100000188085 [0,1,0,0,0,0|1,0,1]=3 493 B15R1.23 CC=CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000210699_100000211441 [0,1,0,0,0,0|1,0,1]=3 494 B15R1.23 CC=CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210699_100000211071 [0,1,0,0,0,0|1,0,1]=3 495 B15R1.23 CC=CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000210699_100000211279 [0,1,0,0,0,0|1,0,1]=3 496 B15R1.23 CC=CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000210699_100011216261 [0,1,0,0,0,0|1,0,1]=3 497 B15R1.23 CC=CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000210699_100009814261 [0,1,0,0,0,0|1,0,1]=3 498 B15R1.23 CC=CC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100000210699_100016989621 [0,1,0,0,0,0|2,0,1]=4 499 B15R1.23 CC=CC(=O)CC(=O)c1ccc(nc1)C 1458a_100000210699_100012027583 [0,1,0,0,0,0|2,0,1]=4 500 B15R1.23 CC=CC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100000210699_100009864725 [0,1,0,0,0,0|2,0,1]=4 501 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000747444 [0,1,0,0,0,0|1,0,0]=2 502 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000211992_100000188085 [0,1,0,0,0,0|1,0,0]=2 503 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000747444 [0,1,0,0,0,0|1,0,0]=2 504 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000211992_100000211441 [0,1,0,0,0,0|1,0,0]=2 505 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000747444 [0,1,0,0,0,0|1,0,0]=2 506 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000211992_100000211071 [0,1,0,0,0,0|1,0,0]=2 507 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000747444 [0,1,0,0,0,0|1,0,0]=2 508 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000211992_100000211279 [0,1,0,0,0,0|1,0,0]=2 509 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000747444 [0,1,0,0,0,0|1,0,0]=2 510 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000211992_100011216261 [0,1,0,0,0,0|1,0,0]=2 511 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000211992_100009814261 [0,1,0,0,0,0|1,0,0]=2 512 B15R1.23 CCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000747444 [0,1,0,0,0,0|1,0,0]=2 513 B15R1.23 CCCC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100000211992_100016989621 [0,1,0,0,0,0|2,0,0]=3 514 B15R1.23 CCCC(=O)CC(=O)c1ccc(nc1)C 1458a_100000211992_100012027583 [0,1,0,0,0,0|2,0,0]=3 515 B15R1.23 CCCC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100000211992_100009864725 [0,1,0,0,0,0|2,0,0]=3 516 B15R1.23 CCCC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_100000210303 [0,1,0,0,0,0|2,0,1]=4 517 B15R1.23 CCCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000211992_200011996143 [0,1,0,0,0,0|1,0,2]=4 518 B15R1.23 CCCC(=O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000747444 [0,1,0,0,0,0|3,0,0]=4 519 B15R1.23 CCCC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000747444 [0,1,0,0,0,0|3,0,0]=4 520 B15R1.23 CCCC(=O)CN(C)c1ccc(cc1)C 2230a_100000219977_100000747444 [0,1,0,0,0,0|3,0,0]=4 521 B15R1.23 CCCC(=O)CN(C)c1ccc(cc1)C 269982a_100000219977_100000747444 [0,1,0,0,0,0|3,0,0]=4 522 B15R1.23 CCCC(=O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000747444 [0,1,0,0,0,0|3,0,0]=4 523 B15R1.23 CCCC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000747444 [0,1,0,0,0,0|3,0,0]=4 524 B15R1.23 CCCC(=O)CN(C)c1ccc(cc1)F 2230a_100000219829_100000747444 [0,1,0,0,0,0|3,0,0]=4 525 B15R1.23 CCCC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_100000747444 [0,1,0,0,0,0|3,0,0]=4 526 B15R1.23 CCCC(=O)CN(C)c1ccc(cc1)I 2230a_100000743151_100000747444 [0,1,0,0,0,0|3,0,0]=4 527 B15R1.23 CCCC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_100000747444 [0,1,0,0,0,0|3,0,0]=4 528 B15R1.23 CCCC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000747444 [0,1,0,0,0,0|3,0,0]=4 529 B15R1.23 CCCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000211992_100000720402 [0,1,0,0,0,0|1,0,2]=4 530 B15R1.23 CCCC(C)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100011216630 [0,1,0,0,0,0|2,0,1]=4 531 B15R1.23 CCCC(C)CC(=O)c1ccc(cc1)C 1458a_100000188618_100011216630 [0,1,0,0,0,0|2,0,1]=4 532 B15R1.23 CCCC(C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011216630 [0,1,0,0,0,0|2,0,1]=4 533 B15R1.23 CCCC(C)CC(=O)c1ccc(cc1)F 1458a_100000187176_100011216630 [0,1,0,0,0,0|2,0,1]=4 534 B15R1.23 CCCC(C)CC(=O)c1ccc(cc1)I 1458a_100000187904_100011216630 [0,1,0,0,0,0|2,0,1]=4 535 B15R1.23 CCCC(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011216630 [0,1,0,0,0,0|2,0,1]=4 536 B15R1.23 CCCN(C)CC(=O)c1ccc(cc1)Br 269982a_100000747261_100000188085 [0,1,0,0,0,0|3,0,0]=4 537 B15R1.23 CCCN(C)CC(=O)c1ccc(cc1)C 2230a_100000747261_100000211441 [0,1,0,0,0,0|3,0,0]=4 538 B15R1.23 CCCN(C)CC(=O)c1ccc(cc1)C 269982a_100000747261_100000211441 [0,1,0,0,0,0|3,0,0]=4 539 B15R1.23 CCCN(C)CC(=O)c1ccc(cc1)Cl 269982a_100000747261_100000211071 [0,1,0,0,0,0|3,0,0]=4 540 B15R1.23 CCCN(C)CC(=O)c1ccc(cc1)F 269982a_100000747261_100000211279 [0,1,0,0,0,0|3,0,0]=4 541 B15R1.23 CCCN(C)CC(=O)c1ccc(cc1)I 269982a_100000747261_100011216261 [0,1,0,0,0,0|3,0,0]=4 542 B15R1.23 CCCN(C)CC(=O)c1ccc(cc1)O 269982a_100000747261_100009814261 [0,1,0,0,0,0|3,0,0]=4 543 B15R1.23 CCNC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000183381 [0,1,0,0,0,0|1,0,0]=2 544 B15R1.23 CCNC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000183381 [0,1,0,0,0,0|1,0,0]=2 545 B15R1.23 CCNC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000183381 [0,1,0,0,0,0|1,0,0]=2 546 B15R1.23 CCNC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000183381 [0,1,0,0,0,0|1,0,0]=2 547 B15R1.23 CCNC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000183381 [0,1,0,0,0,0|1,0,0]=2 548 B15R1.23 CCNC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000183381 [0,1,0,0,0,0|1,0,0]=2 549 B15R1.23 CCNC(=O)CC(C)c1ccc(cc1)C 11a_100015525214_100011240733 [0,1,0,0,0,0|2,0,1]=4 550 B15R1.23 CCNC(=O)CC(C)c1ccc(cc1)C 240690a_100015525214_100011240733 [0,1,0,0,0,0|2,0,1]=4 551 B15R1.23 CCNC(=O)CC(C)c1ccc(cc1)C 527a_100015525214_100011240733 [0,1,0,0,0,0|2,0,1]=4 552 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000183381 [0,1,0,0,0,0|3,0,0]=4 553 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000183381 [0,1,0,0,0,0|3,0,0]=4 554 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)Br 34a_100000219623_100000183381 [0,1,0,0,0,0|3,0,0]=4 555 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)C 2230a_100000219977_100000183381 [0,1,0,0,0,0|3,0,0]=4 556 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)C 269982a_100000219977_100000183381 [0,1,0,0,0,0|3,0,0]=4 557 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)C 34a_100000219977_100000183381 [0,1,0,0,0,0|3,0,0]=4 558 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000183381 [0,1,0,0,0,0|3,0,0]=4 559 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000183381 [0,1,0,0,0,0|3,0,0]=4 560 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000183381 [0,1,0,0,0,0|3,0,0]=4 561 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)F 2230a_100000219829_100000183381 [0,1,0,0,0,0|3,0,0]=4 562 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_100000183381 [0,1,0,0,0,0|3,0,0]=4 563 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)F 34a_100000219829_100000183381 [0,1,0,0,0,0|3,0,0]=4 564 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)I 2230a_100000743151_100000183381 [0,1,0,0,0,0|3,0,0]=4 565 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_100000183381 [0,1,0,0,0,0|3,0,0]=4 566 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)I 34a_100000743151_100000183381 [0,1,0,0,0,0|3,0,0]=4 567 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000183381 [0,1,0,0,0,0|3,0,0]=4 568 B15R1.23 CCNC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100000183381 [0,1,0,0,0,0|3,0,0]=4 569 B15R1.23 CCOC(=O)/C=C(\C)/c1cc[n+](cc1)[O-] 271570a_100050291487_100000039755 [0,1,0,0,0,0|2,0,1]=4 570 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(=O)[nH]c1 271570a_100050291487_100000212171 [0,1,0,0,0,0|2,0,1]=4 571 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cc1)Br 271570a_100050291487_100000752885 [0,1,0,0,0,0|1,0,1]=3 572 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cc1)C 271570a_100050291487_100000186775 [0,1,0,0,0,0|1,0,1]=3 573 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cc1)Cl 271570a_100050291487_100000755918 [0,1,0,0,0,0|1,0,1]=3 574 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cc1)F 271570a_100050291487_100000211213 [0,1,0,0,0,0|1,0,1]=3 575 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cc1)N 271570a_100050291487_100000185761 [0,1,0,0,0,0|1,0,1]=3 576 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cc1)O 271570a_100050291487_100000185759 [0,1,0,0,0,0|1,0,1]=3 577 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cn1)Br 271570a_100050291487_100000686858 [0,1,0,0,0,0|2,0,1]=4 578 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cn1)C 271570a_100050291487_100000754016 [0,1,0,0,0,0|2,0,1]=4 579 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cn1)Cl 271570a_100050291487_100011356976 [0,1,0,0,0,0|2,0,1]=4 580 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cn1)F 271570a_100050291487_100000744514 [0,1,0,0,0,0|2,0,1]=4 581 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cn1)N 271570a_100050291487_100000744251 [0,1,0,0,0,0|2,0,1]=4 582 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(cn1)O 271570a_100050291487_100000685995 [0,1,0,0,0,0|2,0,1]=4 583 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(nc1)Br 271570a_100050291487_100009814638 [0,1,0,0,0,0|2,0,1]=4 584 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(nc1)C 271570a_100050291487_100000751577 [0,1,0,0,0,0|2,0,1]=4 585 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(nc1)Cl 271570a_100050291487_100000034144 [0,1,0,0,0,0|2,0,1]=4 586 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(nc1)F 271570a_100050291487_100000748661 [0,1,0,0,0,0|2,0,1]=4 587 B15R1.23 CCOC(=O)/C=C(\C)/c1ccc(nc1)N 271570a_100050291487_100000187370 [0,1,0,0,0,0|2,0,1]=4 588 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000188475 [0,1,0,0,0,0|0,0,0]=1 589 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000188475 [0,1,0,0,0,0|0,0,0]=1 590 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000188475 [0,1,0,0,0,0|0,0,0]=1 591 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000188475 [0,1,0,0,0,0|0,0,0]=1 592 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000188475 [0,1,0,0,0,0|0,0,0]=1 593 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000188475 [0,1,0,0,0,0|0,0,0]=1 594 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100011248966 [0,1,0,0,0,0|0,0,0]=1 595 B15R1.23 CCOC(=O)CC(N)c1ccc(cc1)O 271570a_203496583355_100000750415 [0,1,0,0,0,0|1,0,1]=3 596 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000188475 [0,1,0,0,0,0|2,0,0]=3 597 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Br 2230a_200000219622_200000210301 [0,1,0,0,0,0|2,0,0]=3 598 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000188475 [0,1,0,0,0,0|2,0,0]=3 599 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Br 269982a_200000219622_200000210301 [0,1,0,0,0,0|2,0,0]=3 600 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Br 34a_100000219623_100000188475 [0,1,0,0,0,0|2,0,0]=3 601 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)C 2230a_100000219976_200000210301 [0,1,0,0,0,0|2,0,0]=3 602 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)C 2230a_100000219977_100000188475 [0,1,0,0,0,0|2,0,0]=3 603 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)C 269982a_100000219976_200000210301 [0,1,0,0,0,0|2,0,0]=3 604 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)C 269982a_100000219977_100000188475 [0,1,0,0,0,0|2,0,0]=3 605 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)C 34a_100000219977_100000188475 [0,1,0,0,0,0|2,0,0]=3 606 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000188475 [0,1,0,0,0,0|2,0,0]=3 607 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Cl 2230a_200000220156_200000210301 [0,1,0,0,0,0|2,0,0]=3 608 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000188475 [0,1,0,0,0,0|2,0,0]=3 609 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Cl 269982a_200000220156_200000210301 [0,1,0,0,0,0|2,0,0]=3 610 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000188475 [0,1,0,0,0,0|2,0,0]=3 611 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)F 2230a_100000219829_100000188475 [0,1,0,0,0,0|2,0,0]=3 612 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_100000188475 [0,1,0,0,0,0|2,0,0]=3 613 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)F 34a_100000219829_100000188475 [0,1,0,0,0,0|2,0,0]=3 614 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)I 2230a_100000743151_100000188475 [0,1,0,0,0,0|2,0,0]=3 615 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)I 2230a_200000220479_200000210301 [0,1,0,0,0,0|2,0,0]=3 616 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_100000188475 [0,1,0,0,0,0|2,0,0]=3 617 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)I 269982a_200000220479_200000210301 [0,1,0,0,0,0|2,0,0]=3 618 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)I 34a_100000743151_100000188475 [0,1,0,0,0,0|2,0,0]=3 619 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000188475 [0,1,0,0,0,0|2,0,0]=3 620 B15R1.23 CCOC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100000188475 [0,1,0,0,0,0|2,0,0]=3 621 B15R1.23 CCOC(=O)CN(C)c1ccc(cn1)Br 27a_100000220588_100000686858 [0,1,0,0,0,0|3,0,0]=4 622 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)Br 2230a_200000219622_200025704644 [0,1,0,0,0,0|2,0,0]=3 623 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)Br 269982a_200000219622_200025704644 [0,1,0,0,0,0|2,0,0]=3 624 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)C 2230a_100000219976_200025704644 [0,1,0,0,0,0|2,0,0]=3 625 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)C 269982a_100000219976_200025704644 [0,1,0,0,0,0|2,0,0]=3 626 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)Cl 2230a_200000220156_200025704644 [0,1,0,0,0,0|2,0,0]=3 627 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)Cl 269982a_200000220156_200025704644 [0,1,0,0,0,0|2,0,0]=3 628 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)I 2230a_200000220479_200025704644 [0,1,0,0,0,0|2,0,0]=3 629 B15R1.23 CCOC(=O)CN([13CH3])c1ccc(cc1)I 269982a_200000220479_200025704644 [0,1,0,0,0,0|2,0,0]=3 630 B15R1.23 CNCC(=O)NC(=O)c1ccc(cc1)Cl 7a_106832991635_100000010301 [0,1,0,0,0,0|3,0,0]=4 631 B15R1.23 COCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000210968_100000188085 [0,1,0,0,0,0|2,0,0]=3 632 B15R1.23 COCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000210968_100000211441 [0,1,0,0,0,0|2,0,0]=3 633 B15R1.23 COCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210968_100000211071 [0,1,0,0,0,0|2,0,0]=3 634 B15R1.23 COCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000210968_100000211279 [0,1,0,0,0,0|2,0,0]=3 635 B15R1.23 COCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000210968_100011216261 [0,1,0,0,0,0|2,0,0]=3 636 B15R1.23 COCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000210968_100009814261 [0,1,0,0,0,0|2,0,0]=3 637 B15R1.23 COCC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100000210968_100016989621 [0,1,0,0,0,0|3,0,0]=4 638 B15R1.23 COCC(=O)CC(=O)c1ccc(nc1)C 1458a_100000210968_100012027583 [0,1,0,0,0,0|3,0,0]=4 639 B15R1.23 COCC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100000210968_100009864725 [0,1,0,0,0,0|3,0,0]=4 640 B15R1.23 CSCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000184570_100000188085 [0,1,0,0,0,0|2,0,0]=3 641 B15R1.23 CSCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000184570_100000211441 [0,1,0,0,0,0|2,0,0]=3 642 B15R1.23 CSCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000184570_100000211071 [0,1,0,0,0,0|2,0,0]=3 643 B15R1.23 CSCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000184570_100000211279 [0,1,0,0,0,0|2,0,0]=3 644 B15R1.23 CSCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000184570_100011216261 [0,1,0,0,0,0|2,0,0]=3 645 B15R1.23 CSCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000184570_100009814261 [0,1,0,0,0,0|2,0,0]=3 646 B15R1.23 CSCC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100000184570_100016989621 [0,1,0,0,0,0|3,0,0]=4 647 B15R1.23 CSCC(=O)CC(=O)c1ccc(nc1)C 1458a_100000184570_100012027583 [0,1,0,0,0,0|3,0,0]=4 648 B15R1.23 CSCC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100000184570_100009864725 [0,1,0,0,0,0|3,0,0]=4 649 B15R1.23 CSCC(=O)NC(=O)c1ccc(cc1)Cl 62a_200000210301_100000010301 [0,1,0,0,0,0|3,0,0]=4 650 B15R1.23 Cc1ccc(cc1)C(=O)CC(=O)C=CBr 1458a_100016273825_100000211441 [0,1,0,0,0,0|2,0,1]=4 651 B15R1.23 Cc1ccc(cc1)C(=O)CC(=O)C=CCl 1458a_200016279998_100000211441 [0,1,0,0,0,0|2,0,1]=4 652 B15R1.23 Cc1ccc(cc1)C(=O)CC(=O)C=CI 1458a_100016256311_100000211441 [0,1,0,0,0,0|2,0,1]=4 653 B15R1.23 Cc1ccc(cc1)C(=O)CC(=O)CC#N 1458a_100051588842_100000211441 [0,1,0,0,0,0|2,0,1]=4 654 B15R1.23 Cc1ccc(cc1)C(=O)CC(=O)CCO 1458a_100011216618_100000211441 [0,1,0,0,0,0|2,0,0]=3 655 B15R1.23 Cc1ccc(cc1)C(=O)CC(=O)NCO 1458a_100000188618_100000185155 [0,1,0,0,0,0|2,0,0]=3 656 B15R1.23 Cc1ccc(cn1)C(=O)CC(=O)CCO 1458a_100011216618_100012027583 [0,1,0,0,0,0|3,0,0]=4 657 B15R1.23 N#CCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100051588842_100000188085 [0,1,0,0,0,0|2,0,1]=4 658 B15R1.23 N#CCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100051588842_100000211071 [0,1,0,0,0,0|2,0,1]=4 659 B15R1.23 N#CCC(=O)CC(=O)c1ccc(cc1)F 1458a_100051588842_100000211279 [0,1,0,0,0,0|2,0,1]=4 660 B15R1.23 N#CCC(=O)CC(=O)c1ccc(cc1)I 1458a_100051588842_100011216261 [0,1,0,0,0,0|2,0,1]=4 661 B15R1.23 N#CCC(=O)CC(=O)c1ccc(cc1)O 1458a_100051588842_100009814261 [0,1,0,0,0,0|2,0,1]=4 662 B15R1.23 O=C(C=CBr)CC(=O)c1ccc(cc1)Br 1458a_100016273825_100000188085 [0,1,0,0,0,0|2,0,1]=4 663 B15R1.23 O=C(C=CBr)CC(=O)c1ccc(cc1)Cl 1458a_100016273825_100000211071 [0,1,0,0,0,0|2,0,1]=4 664 B15R1.23 O=C(C=CBr)CC(=O)c1ccc(cc1)F 1458a_100016273825_100000211279 [0,1,0,0,0,0|2,0,1]=4 665 B15R1.23 O=C(C=CBr)CC(=O)c1ccc(cc1)I 1458a_100016273825_100011216261 [0,1,0,0,0,0|2,0,1]=4 666 B15R1.23 O=C(C=CBr)CC(=O)c1ccc(cc1)O 1458a_100016273825_100009814261 [0,1,0,0,0,0|2,0,1]=4 667 B15R1.23 O=C(C=CCl)CC(=O)c1ccc(cc1)Br 1458a_200016279998_100000188085 [0,1,0,0,0,0|2,0,1]=4 668 B15R1.23 O=C(C=CCl)CC(=O)c1ccc(cc1)Cl 1458a_200016279998_100000211071 [0,1,0,0,0,0|2,0,1]=4 669 B15R1.23 O=C(C=CCl)CC(=O)c1ccc(cc1)F 1458a_200016279998_100000211279 [0,1,0,0,0,0|2,0,1]=4 670 B15R1.23 O=C(C=CCl)CC(=O)c1ccc(cc1)I 1458a_200016279998_100011216261 [0,1,0,0,0,0|2,0,1]=4 671 B15R1.23 O=C(C=CCl)CC(=O)c1ccc(cc1)O 1458a_200016279998_100009814261 [0,1,0,0,0,0|2,0,1]=4 672 B15R1.23 O=C(C=CI)CC(=O)c1ccc(cc1)Br 1458a_100016256311_100000188085 [0,1,0,0,0,0|2,0,1]=4 673 B15R1.23 O=C(C=CI)CC(=O)c1ccc(cc1)Cl 1458a_100016256311_100000211071 [0,1,0,0,0,0|2,0,1]=4 674 B15R1.23 O=C(C=CI)CC(=O)c1ccc(cc1)F 1458a_100016256311_100000211279 [0,1,0,0,0,0|2,0,1]=4 675 B15R1.23 O=C(C=CI)CC(=O)c1ccc(cc1)I 1458a_100016256311_100011216261 [0,1,0,0,0,0|2,0,1]=4 676 B15R1.23 O=C(C=CI)CC(=O)c1ccc(cc1)O 1458a_100016256311_100009814261 [0,1,0,0,0,0|2,0,1]=4 677 B15R1.23 O=C(CC(=O)c1ccc(cc1)Br)NCO 1458a_100000185839_100000185155 [0,1,0,0,0,0|2,0,0]=3 678 B15R1.23 O=C(CC(=O)c1ccc(cc1)Cl)NCO 1458a_100000210187_100000185155 [0,1,0,0,0,0|2,0,0]=3 679 B15R1.23 O=C(CC(=O)c1ccc(cc1)F)NCO 1458a_100000187176_100000185155 [0,1,0,0,0,0|2,0,0]=3 680 B15R1.23 O=C(CC(=O)c1ccc(cc1)I)NCO 1458a_100000187904_100000185155 [0,1,0,0,0,0|2,0,0]=3 681 B15R1.23 O=C(CC(=O)c1ccc(cc1)O)NCO 1458a_100000212099_100000185155 [0,1,0,0,0,0|2,0,0]=3 682 B15R1.23 O=C(CCO)CC(=O)c1ccc(cc1)Br 1458a_100011216618_100000188085 [0,1,0,0,0,0|2,0,0]=3 683 B15R1.23 O=C(CCO)CC(=O)c1ccc(cc1)Cl 1458a_100011216618_100000211071 [0,1,0,0,0,0|2,0,0]=3 684 B15R1.23 O=C(CCO)CC(=O)c1ccc(cc1)F 1458a_100011216618_100000211279 [0,1,0,0,0,0|2,0,0]=3 685 B15R1.23 O=C(CCO)CC(=O)c1ccc(cc1)I 1458a_100011216618_100011216261 [0,1,0,0,0,0|2,0,0]=3 686 B15R1.23 O=C(CCO)CC(=O)c1ccc(cc1)O 1458a_100011216618_100009814261 [0,1,0,0,0,0|2,0,0]=3 687 B15R1.23 O=C(CCO)CC(=O)c1ccc(cn1)Cl 1458a_100011216618_100016989621 [0,1,0,0,0,0|3,0,0]=4 688 B15R1.23 O=C(CCO)CC(=O)c1ccc(nc1)Cl 1458a_100011216618_100009864725 [0,1,0,0,0,0|3,0,0]=4 689 B15R1.23 [13CH3]SCC(=O)NC(=O)c1ccc(cc1)Cl 62a_200025704644_100000010301 [0,1,0,0,0,0|3,0,0]=4 690 B15R1.24 C#CCC(=O)CC(=O)c1cccc(c1)Br 1458a_100011220946_100000212080 [0,1,0,0,0,0|1,0,2]=4 691 B15R1.24 C#CCC(=O)CC(=O)c1cccc(c1)C 1458a_100011220946_100000739480 [0,1,0,0,0,0|1,0,2]=4 692 B15R1.24 C#CCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100011220946_100000211444 [0,1,0,0,0,0|1,0,2]=4 693 B15R1.24 C#CCC(=O)CC(=O)c1cccc(c1)F 1458a_100011220946_100000215616 [0,1,0,0,0,0|1,0,2]=4 694 B15R1.24 C#CCC(=O)CC(=O)c1cccc(c1)O 1458a_100011220946_100009813753 [0,1,0,0,0,0|1,0,2]=4 695 B15R1.24 C=CCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210193_100000212080 [0,1,0,0,0,0|1,0,2]=4 696 B15R1.24 C=CCC(=O)CC(=O)c1cccc(c1)C 1458a_100000210193_100000739480 [0,1,0,0,0,0|1,0,2]=4 697 B15R1.24 C=CCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210193_100000211444 [0,1,0,0,0,0|1,0,2]=4 698 B15R1.24 C=CCC(=O)CC(=O)c1cccc(c1)F 1458a_100000210193_100000215616 [0,1,0,0,0,0|1,0,2]=4 699 B15R1.24 C=CCC(=O)CC(=O)c1cccc(c1)O 1458a_100000210193_100009813753 [0,1,0,0,0,0|1,0,2]=4 700 B15R1.24 C=COC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000036128 [0,1,0,0,0,0|0,0,2]=3 701 B15R1.24 C=COC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000036128 [0,1,0,0,0,0|0,0,2]=3 702 B15R1.24 C=COC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000036128 [0,1,0,0,0,0|0,0,2]=3 703 B15R1.24 C=COC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000036128 [0,1,0,0,0,0|0,0,2]=3 704 B15R1.24 C=COC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000036128 [0,1,0,0,0,0|0,0,2]=3 705 B15R1.24 C=COC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000036128 [0,1,0,0,0,0|0,0,2]=3 706 B15R1.24 CC#CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000763181_100000212080 [0,1,0,0,0,0|1,0,1]=3 707 B15R1.24 CC#CC(=O)CC(=O)c1cccc(c1)C 1458a_100000763181_100000739480 [0,1,0,0,0,0|1,0,1]=3 708 B15R1.24 CC#CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000763181_100000211444 [0,1,0,0,0,0|1,0,1]=3 709 B15R1.24 CC#CC(=O)CC(=O)c1cccc(c1)F 1458a_100000763181_100000215616 [0,1,0,0,0,0|1,0,1]=3 710 B15R1.24 CC#CC(=O)CC(=O)c1cccc(c1)O 1458a_100000763181_100009813753 [0,1,0,0,0,0|1,0,1]=3 711 B15R1.24 CC#CC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000763181_100009817076 [0,1,0,0,0,0|2,0,1]=4 712 B15R1.24 CC=CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210699_100000212080 [0,1,0,0,0,0|1,0,1]=3 713 B15R1.24 CC=CC(=O)CC(=O)c1cccc(c1)C 1458a_100000210699_100000739480 [0,1,0,0,0,0|1,0,1]=3 714 B15R1.24 CC=CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210699_100000211444 [0,1,0,0,0,0|1,0,1]=3 715 B15R1.24 CC=CC(=O)CC(=O)c1cccc(c1)F 1458a_100000210699_100000215616 [0,1,0,0,0,0|1,0,1]=3 716 B15R1.24 CC=CC(=O)CC(=O)c1cccc(c1)O 1458a_100000210699_100009813753 [0,1,0,0,0,0|1,0,1]=3 717 B15R1.24 CC=CC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000210699_100009817076 [0,1,0,0,0,0|2,0,1]=4 718 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000747444 [0,1,0,0,0,0|1,0,0]=2 719 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000211992_100000212080 [0,1,0,0,0,0|1,0,0]=2 720 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000747444 [0,1,0,0,0,0|1,0,0]=2 721 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)C 1458a_100000211992_100000739480 [0,1,0,0,0,0|1,0,0]=2 722 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000747444 [0,1,0,0,0,0|1,0,0]=2 723 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000211992_100000211444 [0,1,0,0,0,0|1,0,0]=2 724 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000747444 [0,1,0,0,0,0|1,0,0]=2 725 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)F 1458a_100000211992_100000215616 [0,1,0,0,0,0|1,0,0]=2 726 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000747444 [0,1,0,0,0,0|1,0,0]=2 727 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000747444 [0,1,0,0,0,0|1,0,0]=2 728 B15R1.24 CCCC(=O)CC(=O)c1cccc(c1)O 1458a_100000211992_100009813753 [0,1,0,0,0,0|1,0,0]=2 729 B15R1.24 CCCC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000211992_100009817076 [0,1,0,0,0,0|2,0,0]=3 730 B15R1.24 CCCC(=O)CN(C)c1cccc(c1)Br 2230a_100000219648_100000747444 [0,1,0,0,0,0|3,0,0]=4 731 B15R1.24 CCCC(=O)CN(C)c1cccc(c1)Br 269982a_100000219648_100000747444 [0,1,0,0,0,0|3,0,0]=4 732 B15R1.24 CCCC(=O)CN(C)c1cccc(c1)C 2230a_100000219674_100000747444 [0,1,0,0,0,0|3,0,0]=4 733 B15R1.24 CCCC(=O)CN(C)c1cccc(c1)C 269982a_100000219674_100000747444 [0,1,0,0,0,0|3,0,0]=4 734 B15R1.24 CCCC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000747444 [0,1,0,0,0,0|3,0,0]=4 735 B15R1.24 CCCC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000747444 [0,1,0,0,0,0|3,0,0]=4 736 B15R1.24 CCCC(=O)CN(C)c1cccc(c1)F 2230a_100020633736_100000747444 [0,1,0,0,0,0|3,0,0]=4 737 B15R1.24 CCCC(=O)CN(C)c1cccc(c1)F 269982a_100020633736_100000747444 [0,1,0,0,0,0|3,0,0]=4 738 B15R1.24 CCCC(=O)CN(C)c1cccc(c1)I 2230a_100000221217_100000747444 [0,1,0,0,0,0|3,0,0]=4 739 B15R1.24 CCCC(=O)CN(C)c1cccc(c1)I 269982a_100000221217_100000747444 [0,1,0,0,0,0|3,0,0]=4 740 B15R1.24 CCCC(=O)CN(C)c1cccc(c1)O 2230a_100000756613_100000747444 [0,1,0,0,0,0|3,0,0]=4 741 B15R1.24 CCCC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_100000747444 [0,1,0,0,0,0|3,0,0]=4 742 B15R1.24 CCCC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_100000210303 [0,1,0,0,0,0|1,0,2]=4 743 B15R1.24 CCCC(C)CC(=O)c1cccc(c1)Br 1458a_100000210664_100011216630 [0,1,0,0,0,0|2,0,1]=4 744 B15R1.24 CCCC(C)CC(=O)c1cccc(c1)C 1458a_100000189346_100011216630 [0,1,0,0,0,0|2,0,1]=4 745 B15R1.24 CCCC(C)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100011216630 [0,1,0,0,0,0|2,0,1]=4 746 B15R1.24 CCCC(C)CC(=O)c1cccc(c1)F 1458a_100000210950_100011216630 [0,1,0,0,0,0|2,0,1]=4 747 B15R1.24 CCCC(C)CC(=O)c1cccc(c1)I 1458a_100000184098_100011216630 [0,1,0,0,0,0|2,0,1]=4 748 B15R1.24 CCCC(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100011216630 [0,1,0,0,0,0|2,0,1]=4 749 B15R1.24 CCCN(C)CC(=O)c1cccc(c1)Br 2230a_100000747261_100000212080 [0,1,0,0,0,0|3,0,0]=4 750 B15R1.24 CCCN(C)CC(=O)c1cccc(c1)Br 269982a_100000747261_100000212080 [0,1,0,0,0,0|3,0,0]=4 751 B15R1.24 CCCN(C)CC(=O)c1cccc(c1)C 2230a_100000747261_100000739480 [0,1,0,0,0,0|3,0,0]=4 752 B15R1.24 CCCN(C)CC(=O)c1cccc(c1)C 269982a_100000747261_100000739480 [0,1,0,0,0,0|3,0,0]=4 753 B15R1.24 CCCN(C)CC(=O)c1cccc(c1)Cl 2230a_100000747261_100000211444 [0,1,0,0,0,0|3,0,0]=4 754 B15R1.24 CCCN(C)CC(=O)c1cccc(c1)Cl 269982a_100000747261_100000211444 [0,1,0,0,0,0|3,0,0]=4 755 B15R1.24 CCCN(C)CC(=O)c1cccc(c1)F 2230a_100000747261_100000215616 [0,1,0,0,0,0|3,0,0]=4 756 B15R1.24 CCCN(C)CC(=O)c1cccc(c1)F 269982a_100000747261_100000215616 [0,1,0,0,0,0|3,0,0]=4 757 B15R1.24 CCCN(C)CC(=O)c1cccc(c1)O 269982a_100000747261_100009813753 [0,1,0,0,0,0|3,0,0]=4 758 B15R1.24 CCNC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000183381 [0,1,0,0,0,0|1,0,0]=2 759 B15R1.24 CCNC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000183381 [0,1,0,0,0,0|1,0,0]=2 760 B15R1.24 CCNC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000183381 [0,1,0,0,0,0|1,0,0]=2 761 B15R1.24 CCNC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000183381 [0,1,0,0,0,0|1,0,0]=2 762 B15R1.24 CCNC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000183381 [0,1,0,0,0,0|1,0,0]=2 763 B15R1.24 CCNC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000183381 [0,1,0,0,0,0|1,0,0]=2 764 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)Br 2230a_100000219648_100000183381 [0,1,0,0,0,0|3,0,0]=4 765 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)Br 269982a_100000219648_100000183381 [0,1,0,0,0,0|3,0,0]=4 766 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)Br 34a_100000219648_100000183381 [0,1,0,0,0,0|3,0,0]=4 767 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)C 2230a_100000219674_100000183381 [0,1,0,0,0,0|3,0,0]=4 768 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)C 269982a_100000219674_100000183381 [0,1,0,0,0,0|3,0,0]=4 769 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)C 34a_100000219674_100000183381 [0,1,0,0,0,0|3,0,0]=4 770 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000183381 [0,1,0,0,0,0|3,0,0]=4 771 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000183381 [0,1,0,0,0,0|3,0,0]=4 772 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)Cl 34a_100000220044_100000183381 [0,1,0,0,0,0|3,0,0]=4 773 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)F 2230a_100020633736_100000183381 [0,1,0,0,0,0|3,0,0]=4 774 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)F 269982a_100020633736_100000183381 [0,1,0,0,0,0|3,0,0]=4 775 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)F 34a_100020633736_100000183381 [0,1,0,0,0,0|3,0,0]=4 776 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)I 2230a_100000221217_100000183381 [0,1,0,0,0,0|3,0,0]=4 777 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)I 269982a_100000221217_100000183381 [0,1,0,0,0,0|3,0,0]=4 778 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)I 34a_100000221217_100000183381 [0,1,0,0,0,0|3,0,0]=4 779 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)O 2230a_100000756613_100000183381 [0,1,0,0,0,0|3,0,0]=4 780 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_100000183381 [0,1,0,0,0,0|3,0,0]=4 781 B15R1.24 CCNC(=O)CN(C)c1cccc(c1)O 34a_100000756613_100000183381 [0,1,0,0,0,0|3,0,0]=4 782 B15R1.24 CCNC(=O)C[C@H](O)c1cccc(c1)Cl 240690a_100015525214_100010423400 [0,1,0,0,0,0|1,0,2]=4 783 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(ccn1)C 271570a_100050291487_100000750283 [0,1,0,0,0,0|2,0,1]=4 784 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(ccn1)Cl 271570a_100050291487_100010167805 [0,1,0,0,0,0|2,0,1]=4 785 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(ccn1)F 271570a_100050291487_100009817058 [0,1,0,0,0,0|2,0,1]=4 786 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(ccn1)N 271570a_100050291487_100009814236 [0,1,0,0,0,0|2,0,1]=4 787 B15R1.24 CCOC(=O)/C=C(\C)/c1cc(ccn1)O 271570a_100050291487_100000762945 [0,1,0,0,0,0|2,0,1]=4 788 B15R1.24 CCOC(=O)/C=C(\C)/c1cc[nH]c(=O)c1 271570a_100050291487_100009816521 [0,1,0,0,0,0|2,0,1]=4 789 B15R1.24 CCOC(=O)/C=C(\C)/c1ccc[n+](c1)C 271570a_100050291487_100009996589 [0,1,0,0,0,0|2,0,1]=4 790 B15R1.24 CCOC(=O)/C=C(\C)/c1ccc[n+](c1)[O-] 271570a_100050291487_100009815978 [0,1,0,0,0,0|2,0,1]=4 791 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(=O)[nH]1 271570a_100050291487_100000761760 [0,1,0,0,0,0|2,0,1]=4 792 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(c1)Br 271570a_100050291487_100000691529 [0,1,0,0,0,0|1,0,1]=3 793 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(c1)C 271570a_100050291487_100011215228 [0,1,0,0,0,0|1,0,1]=3 794 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(c1)Cl 271570a_100050291487_100000699651 [0,1,0,0,0,0|1,0,1]=3 795 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(c1)F 271570a_100050291487_100000685547 [0,1,0,0,0,0|1,0,1]=3 796 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(c1)N 271570a_100050291487_100000210019 [0,1,0,0,0,0|1,0,1]=3 797 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(c1)O 271570a_100050291487_100000211634 [0,1,0,0,0,0|1,0,1]=3 798 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(c1)[S] 271570a_100050291487_114929384022 [0,1,0,0,0,0|1,0,1]=3 799 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(n1)Br 271570a_100050291487_100000684672 [0,1,0,0,0,0|2,0,1]=4 800 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(n1)C 271570a_100050291487_100000742759 [0,1,0,0,0,0|2,0,1]=4 801 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(n1)F 271570a_100050291487_100009815982 [0,1,0,0,0,0|2,0,1]=4 802 B15R1.24 CCOC(=O)/C=C(\C)/c1cccc(n1)N 271570a_100050291487_100000740741 [0,1,0,0,0,0|2,0,1]=4 803 B15R1.24 CCOC(=O)/C=C(\C)/c1ccnc(c1)Br 271570a_100050291487_100009814637 [0,1,0,0,0,0|2,0,1]=4 804 B15R1.24 CCOC(=O)/C=C(\C)/c1ccnc(c1)C 271570a_100050291487_100000758586 [0,1,0,0,0,0|2,0,1]=4 805 B15R1.24 CCOC(=O)/C=C(\C)/c1ccnc(c1)Cl 271570a_100050291487_100000035001 [0,1,0,0,0,0|2,0,1]=4 806 B15R1.24 CCOC(=O)/C=C(\C)/c1ccnc(c1)F 271570a_100050291487_100009816116 [0,1,0,0,0,0|2,0,1]=4 807 B15R1.24 CCOC(=O)/C=C(\C)/c1ccnc(c1)N 271570a_100050291487_100000744379 [0,1,0,0,0,0|2,0,1]=4 808 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(c1)Br 271570a_100050291487_100000728054 [0,1,0,0,0,0|2,0,1]=4 809 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(c1)C 271570a_100050291487_100000760492 [0,1,0,0,0,0|2,0,1]=4 810 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(c1)Cl 271570a_100050291487_100000049639 [0,1,0,0,0,0|2,0,1]=4 811 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(c1)F 271570a_100050291487_100000744099 [0,1,0,0,0,0|2,0,1]=4 812 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(c1)N 271570a_100050291487_100000687067 [0,1,0,0,0,0|2,0,1]=4 813 B15R1.24 CCOC(=O)/C=C(\C)/c1cncc(c1)O 271570a_100050291487_100000754920 [0,1,0,0,0,0|2,0,1]=4 814 B15R1.24 CCOC(=O)C=C(C)c1cccc(c1)O 271570a_203496583355_100038093329 [0,1,0,0,0,0|1,0,1]=3 815 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000188475 [0,1,0,0,0,0|0,0,0]=1 816 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000188475 [0,1,0,0,0,0|0,0,0]=1 817 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000188475 [0,1,0,0,0,0|0,0,0]=1 818 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000188475 [0,1,0,0,0,0|0,0,0]=1 819 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000188475 [0,1,0,0,0,0|0,0,0]=1 820 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000188475 [0,1,0,0,0,0|0,0,0]=1 821 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)O 271570a_203496583355_100011248971 [0,1,0,0,0,0|0,0,0]=1 822 B15R1.24 CCOC(=O)CC(=O)c1cncc(c1)O 271570a_203496583355_100012351078 [0,1,0,0,0,0|1,0,0]=2 823 B15R1.24 CCOC(=O)CC(N)c1cccc(c1)O 271570a_203496583355_100020603595 [0,1,0,0,0,0|1,0,1]=3 824 B15R1.24 CCOC(=O)CN(C)c1cc(ccn1)F 27a_100000220588_100000764206 [0,1,0,0,0,0|3,0,0]=4 825 B15R1.24 CCOC(=O)CN(C)c1cc[nH]c(=O)c1 27a_100000220588_100000061649 [0,1,0,0,0,0|3,0,0]=4 826 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Br 2230a_100000219648_100000188475 [0,1,0,0,0,0|2,0,0]=3 827 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Br 269982a_100000219648_100000188475 [0,1,0,0,0,0|2,0,0]=3 828 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Br 269982a_200000219647_200000210301 [0,1,0,0,0,0|2,0,0]=3 829 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Br 34a_100000219648_100000188475 [0,1,0,0,0,0|2,0,0]=3 830 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)C 2230a_100000219674_100000188475 [0,1,0,0,0,0|2,0,0]=3 831 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)C 2230a_200000219673_200000210301 [0,1,0,0,0,0|2,0,0]=3 832 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)C 269982a_100000219674_100000188475 [0,1,0,0,0,0|2,0,0]=3 833 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)C 269982a_200000219673_200000210301 [0,1,0,0,0,0|2,0,0]=3 834 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)C 34a_100000219674_100000188475 [0,1,0,0,0,0|2,0,0]=3 835 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220043_200000210301 [0,1,0,0,0,0|2,0,0]=3 836 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000188475 [0,1,0,0,0,0|2,0,0]=3 837 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220043_200000210301 [0,1,0,0,0,0|2,0,0]=3 838 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000188475 [0,1,0,0,0,0|2,0,0]=3 839 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)Cl 34a_100000220044_100000188475 [0,1,0,0,0,0|2,0,0]=3 840 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)F 2230a_100000220069_200000210301 [0,1,0,0,0,0|2,0,0]=3 841 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)F 2230a_100020633736_100000188475 [0,1,0,0,0,0|2,0,0]=3 842 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)F 269982a_100000220069_200000210301 [0,1,0,0,0,0|2,0,0]=3 843 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)F 269982a_100020633736_100000188475 [0,1,0,0,0,0|2,0,0]=3 844 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)F 34a_100020633736_100000188475 [0,1,0,0,0,0|2,0,0]=3 845 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)I 2230a_100000221217_100000188475 [0,1,0,0,0,0|2,0,0]=3 846 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)I 269982a_100000221217_100000188475 [0,1,0,0,0,0|2,0,0]=3 847 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)I 34a_100000221217_100000188475 [0,1,0,0,0,0|2,0,0]=3 848 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)O 2230a_100000756613_100000188475 [0,1,0,0,0,0|2,0,0]=3 849 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_100000188475 [0,1,0,0,0,0|2,0,0]=3 850 B15R1.24 CCOC(=O)CN(C)c1cccc(c1)O 34a_100000756613_100000188475 [0,1,0,0,0,0|2,0,0]=3 851 B15R1.24 CCOC(=O)CN(C)c1cccc(n1)F 27a_100000220588_100009815982 [0,1,0,0,0,0|3,0,0]=4 852 B15R1.24 CCOC(=O)CN(C)c1ccnc(c1)C 27a_100000220588_100000758586 [0,1,0,0,0,0|3,0,0]=4 853 B15R1.24 CCOC(=O)CN(C)c1ccnc(c1)F 27a_100000220588_100009816116 [0,1,0,0,0,0|3,0,0]=4 854 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)Br 269982a_200000219647_200025704644 [0,1,0,0,0,0|2,0,0]=3 855 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)C 2230a_200000219673_200025704644 [0,1,0,0,0,0|2,0,0]=3 856 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)C 269982a_200000219673_200025704644 [0,1,0,0,0,0|2,0,0]=3 857 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)Cl 2230a_100000220043_200025704644 [0,1,0,0,0,0|2,0,0]=3 858 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)Cl 269982a_100000220043_200025704644 [0,1,0,0,0,0|2,0,0]=3 859 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)F 2230a_100000220069_200025704644 [0,1,0,0,0,0|2,0,0]=3 860 B15R1.24 CCOC(=O)CN([13CH3])c1cccc(c1)F 269982a_100000220069_200025704644 [0,1,0,0,0,0|2,0,0]=3 861 B15R1.24 COCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210968_100000212080 [0,1,0,0,0,0|2,0,0]=3 862 B15R1.24 COCC(=O)CC(=O)c1cccc(c1)C 1458a_100000210968_100000739480 [0,1,0,0,0,0|2,0,0]=3 863 B15R1.24 COCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210968_100000211444 [0,1,0,0,0,0|2,0,0]=3 864 B15R1.24 COCC(=O)CC(=O)c1cccc(c1)F 1458a_100000210968_100000215616 [0,1,0,0,0,0|2,0,0]=3 865 B15R1.24 COCC(=O)CC(=O)c1cccc(c1)O 1458a_100000210968_100009813753 [0,1,0,0,0,0|2,0,0]=3 866 B15R1.24 COCC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000210968_100009817076 [0,1,0,0,0,0|3,0,0]=4 867 B15R1.24 CSCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000184570_100000212080 [0,1,0,0,0,0|2,0,0]=3 868 B15R1.24 CSCC(=O)CC(=O)c1cccc(c1)C 1458a_100000184570_100000739480 [0,1,0,0,0,0|2,0,0]=3 869 B15R1.24 CSCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000184570_100000211444 [0,1,0,0,0,0|2,0,0]=3 870 B15R1.24 CSCC(=O)CC(=O)c1cccc(c1)F 1458a_100000184570_100000215616 [0,1,0,0,0,0|2,0,0]=3 871 B15R1.24 CSCC(=O)CC(=O)c1cccc(c1)O 1458a_100000184570_100009813753 [0,1,0,0,0,0|2,0,0]=3 872 B15R1.24 CSCC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000184570_100009817076 [0,1,0,0,0,0|3,0,0]=4 873 B15R1.24 Cc1cccc(c1)C(=O)CC(=O)C=CBr 1458a_100016273825_100000739480 [0,1,0,0,0,0|2,0,1]=4 874 B15R1.24 Cc1cccc(c1)C(=O)CC(=O)C=CCl 1458a_200016279998_100000739480 [0,1,0,0,0,0|2,0,1]=4 875 B15R1.24 Cc1cccc(c1)C(=O)CC(=O)C=CI 1458a_100016256311_100000739480 [0,1,0,0,0,0|2,0,1]=4 876 B15R1.24 Cc1cccc(c1)C(=O)CC(=O)CC#N 1458a_100051588842_100000739480 [0,1,0,0,0,0|2,0,1]=4 877 B15R1.24 Cc1cccc(c1)C(=O)CC(=O)CCO 1458a_100011216618_100000739480 [0,1,0,0,0,0|2,0,0]=3 878 B15R1.24 Cc1cccc(c1)C(=O)CC(=O)NCO 1458a_100000189346_100000185155 [0,1,0,0,0,0|2,0,0]=3 879 B15R1.24 N#CCC(=O)CC(=O)c1cccc(c1)Br 1458a_100051588842_100000212080 [0,1,0,0,0,0|2,0,1]=4 880 B15R1.24 N#CCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100051588842_100000211444 [0,1,0,0,0,0|2,0,1]=4 881 B15R1.24 N#CCC(=O)CC(=O)c1cccc(c1)F 1458a_100051588842_100000215616 [0,1,0,0,0,0|2,0,1]=4 882 B15R1.24 N#CCC(=O)CC(=O)c1cccc(c1)O 1458a_100051588842_100009813753 [0,1,0,0,0,0|2,0,1]=4 883 B15R1.24 O=C(C=CBr)CC(=O)c1cccc(c1)Br 1458a_100016273825_100000212080 [0,1,0,0,0,0|2,0,1]=4 884 B15R1.24 O=C(C=CBr)CC(=O)c1cccc(c1)Cl 1458a_100016273825_100000211444 [0,1,0,0,0,0|2,0,1]=4 885 B15R1.24 O=C(C=CBr)CC(=O)c1cccc(c1)F 1458a_100016273825_100000215616 [0,1,0,0,0,0|2,0,1]=4 886 B15R1.24 O=C(C=CBr)CC(=O)c1cccc(c1)O 1458a_100016273825_100009813753 [0,1,0,0,0,0|2,0,1]=4 887 B15R1.24 O=C(C=CCl)CC(=O)c1cccc(c1)Br 1458a_200016279998_100000212080 [0,1,0,0,0,0|2,0,1]=4 888 B15R1.24 O=C(C=CCl)CC(=O)c1cccc(c1)Cl 1458a_200016279998_100000211444 [0,1,0,0,0,0|2,0,1]=4 889 B15R1.24 O=C(C=CCl)CC(=O)c1cccc(c1)F 1458a_200016279998_100000215616 [0,1,0,0,0,0|2,0,1]=4 890 B15R1.24 O=C(C=CCl)CC(=O)c1cccc(c1)O 1458a_200016279998_100009813753 [0,1,0,0,0,0|2,0,1]=4 891 B15R1.24 O=C(C=CI)CC(=O)c1cccc(c1)Br 1458a_100016256311_100000212080 [0,1,0,0,0,0|2,0,1]=4 892 B15R1.24 O=C(C=CI)CC(=O)c1cccc(c1)Cl 1458a_100016256311_100000211444 [0,1,0,0,0,0|2,0,1]=4 893 B15R1.24 O=C(C=CI)CC(=O)c1cccc(c1)F 1458a_100016256311_100000215616 [0,1,0,0,0,0|2,0,1]=4 894 B15R1.24 O=C(C=CI)CC(=O)c1cccc(c1)O 1458a_100016256311_100009813753 [0,1,0,0,0,0|2,0,1]=4 895 B15R1.24 O=C(CC(=O)c1cccc(c1)Br)NCO 1458a_100000210664_100000185155 [0,1,0,0,0,0|2,0,0]=3 896 B15R1.24 O=C(CC(=O)c1cccc(c1)Cl)NCO 1458a_100000210390_100000185155 [0,1,0,0,0,0|2,0,0]=3 897 B15R1.24 O=C(CC(=O)c1cccc(c1)F)NCO 1458a_100000210950_100000185155 [0,1,0,0,0,0|2,0,0]=3 898 B15R1.24 O=C(CC(=O)c1cccc(c1)I)NCO 1458a_100000184098_100000185155 [0,1,0,0,0,0|2,0,0]=3 899 B15R1.24 O=C(CC(=O)c1cccc(c1)O)NCO 1458a_100000183914_100000185155 [0,1,0,0,0,0|2,0,0]=3 900 B15R1.24 O=C(CCO)CC(=O)c1cccc(c1)Br 1458a_100011216618_100000212080 [0,1,0,0,0,0|2,0,0]=3 901 B15R1.24 O=C(CCO)CC(=O)c1cccc(c1)Cl 1458a_100011216618_100000211444 [0,1,0,0,0,0|2,0,0]=3 902 B15R1.24 O=C(CCO)CC(=O)c1cccc(c1)F 1458a_100011216618_100000215616 [0,1,0,0,0,0|2,0,0]=3 903 B15R1.24 O=C(CCO)CC(=O)c1cccc(c1)O 1458a_100011216618_100009813753 [0,1,0,0,0,0|2,0,0]=3 904 B15R1.24 O=C(CCO)CC(=O)c1ccnc(c1)Cl 1458a_100011216618_100009817076 [0,1,0,0,0,0|3,0,0]=4 905 B15R1.115 C#CCCC(=O)CC(=O)c1ccccc1 1458a_100000692101_100000211460 [0,1,0,0,0,0|1,0,1]=3 906 B15R1.115 C#CCCC(=O)CC(=O)c1ccccn1 1458a_100000692101_100000027445 [0,1,0,0,0,0|2,0,1]=4 907 B15R1.115 C#CCCC(=O)CC(=O)c1cccnc1 1458a_100000692101_100015188593 [0,1,0,0,0,0|2,0,1]=4 908 B15R1.115 C#CCCC(=O)CC(=O)c1ccncc1 1458a_100000692101_100000027454 [0,1,0,0,0,0|2,0,1]=4 909 B15R1.115 C=C(CC(=O)c1ccccc1)OCOC 1458a_100000185807_100000042856 [0,1,0,0,0,0|1,0,0]=2 910 B15R1.115 C=C(CN(C)c1ccccc1)OCOC 269982a_100000210012_100000042856 [0,1,0,0,0,0|3,0,0]=4 911 B15R1.115 C=C(CN(C)c1ccccc1)OCOC 34a_100000210012_100000042856 [0,1,0,0,0,0|3,0,0]=4 912 B15R1.115 C=CC=CC(=O)CC(=O)c1ccccc1 1458a_100016291481_100000211460 [0,1,0,0,0,0|1,0,2]=4 913 B15R1.115 C=CCCC(=O)CC(=O)c1ccccc1 1458a_100000749702_100000211460 [0,1,0,0,0,0|1,0,1]=3 914 B15R1.115 C=CCCC(=O)CC(=O)c1ccccn1 1458a_100000749702_100000027445 [0,1,0,0,0,0|2,0,1]=4 915 B15R1.115 C=CCCC(=O)CC(=O)c1cccnc1 1458a_100000749702_100015188593 [0,1,0,0,0,0|2,0,1]=4 916 B15R1.115 C=CCCC(=O)CC(=O)c1ccncc1 1458a_100000749702_100000027454 [0,1,0,0,0,0|2,0,1]=4 917 B15R1.115 C=CCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183597 [0,1,0,0,0,0|1,0,1]=3 918 B15R1.115 C=CCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000033060 [0,1,0,0,0,0|0,0,1]=2 919 B15R1.115 C=CCOC(=O)CN(C)c1ccccc1 2230a_100000210012_100000033060 [0,1,0,0,0,0|2,0,1]=4 920 B15R1.115 C=CCOC(=O)CN(C)c1ccccc1 269982a_100000210012_100000033060 [0,1,0,0,0,0|2,0,1]=4 921 B15R1.115 C=CCOC(=O)CN(C)c1ccccc1 34a_100000210012_100000033060 [0,1,0,0,0,0|2,0,1]=4 922 B15R1.115 CC(=CC(=O)CCCF)c1ccccc1 1458a_100000743005_100011934791 [0,1,0,0,0,0|2,0,1]=4 923 B15R1.115 CC(=CC(=O)CCCO)c1ccccc1 1458a_100000743005_100011215043 [0,1,0,0,0,0|2,0,1]=4 924 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 11a_100000724931_100000743005 [0,1,0,0,0,0|2,0,1]=4 925 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 1626a_100000724931_100000743005 [0,1,0,0,0,0|2,0,1]=4 926 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 240690a_100000724931_100000743005 [0,1,0,0,0,0|2,0,1]=4 927 B15R1.115 CC(=CC(=O)NCCF)c1ccccc1 527a_100000724931_100000743005 [0,1,0,0,0,0|2,0,1]=4 928 B15R1.115 CC(=CC(=O)NCCO)c1ccccc1 240690a_100000210304_100000743005 [0,1,0,0,0,0|2,0,1]=4 929 B15R1.115 CC(=CC(=O)NCCO)c1ccccc1 527a_100000210304_100000743005 [0,1,0,0,0,0|2,0,1]=4 930 B15R1.115 CC(CC(=O)CCCF)c1ccccc1 1458a_100000183687_100011934791 [0,1,0,0,0,0|2,0,1]=4 931 B15R1.115 CC(CC(=O)CCCO)c1ccccc1 1458a_100000183687_100011215043 [0,1,0,0,0,0|2,0,1]=4 932 B15R1.115 CC(CC(=O)NCCF)c1ccccc1 11a_100000724931_100000183687 [0,1,0,0,0,0|2,0,1]=4 933 B15R1.115 CC(CC(=O)NCCF)c1ccccc1 1626a_100000724931_100000183687 [0,1,0,0,0,0|2,0,1]=4 934 B15R1.115 CC(CC(=O)NCCF)c1ccccc1 240690a_100000724931_100000183687 [0,1,0,0,0,0|2,0,1]=4 935 B15R1.115 CC(CC(=O)NCCF)c1ccccc1 527a_100000724931_100000183687 [0,1,0,0,0,0|2,0,1]=4 936 B15R1.115 CC(CC(=O)NCCO)c1ccccc1 240690a_100000210304_100000183687 [0,1,0,0,0,0|2,0,1]=4 937 B15R1.115 CC(CC(=O)NCCO)c1ccccc1 527a_100000210304_100000183687 [0,1,0,0,0,0|2,0,1]=4 938 B15R1.115 CC=CCC(=O)CC(=O)c1ccccc1 1458a_100121576822_100000211460 [0,1,0,0,0,0|1,0,1]=3 939 B15R1.115 CC=CCC(=O)CC(=O)c1ccccn1 1458a_100121576822_100000027445 [0,1,0,0,0,0|2,0,1]=4 940 B15R1.115 CC=CCC(=O)CC(=O)c1cccnc1 1458a_100121576822_100015188593 [0,1,0,0,0,0|2,0,1]=4 941 B15R1.115 CC=CCC(=O)CC(=O)c1ccncc1 1458a_100121576822_100000027454 [0,1,0,0,0,0|2,0,1]=4 942 B15R1.115 CCC#CC(=O)CC(=O)c1ccccc1 1458a_100011827653_100000211460 [0,1,0,0,0,0|1,0,0]=2 943 B15R1.115 CCC#CC(=O)CC(=O)c1ccccn1 1458a_100011827653_100000027445 [0,1,0,0,0,0|2,0,0]=3 944 B15R1.115 CCC#CC(=O)CC(=O)c1cccnc1 1458a_100011827653_100015188593 [0,1,0,0,0,0|2,0,0]=3 945 B15R1.115 CCC#CC(=O)CC(=O)c1ccncc1 1458a_100011827653_100000027454 [0,1,0,0,0,0|2,0,0]=3 946 B15R1.115 CCC#CC(=O)CC(=O)c1ncccn1 1458a_100011827653_100020636365 [0,1,0,0,0,0|3,0,0]=4 947 B15R1.115 CCC#CC(=O)CC(C)c1ccccc1 1458a_100011827653_100000756946 [0,1,0,0,0,0|2,0,1]=4 948 B15R1.115 CCC#CC(=O)CC(O)c1ccccc1 1458a_100011827653_100000185958 [0,1,0,0,0,0|1,0,2]=4 949 B15R1.115 CCC#CC(=O)C[C@@H](O)c1ccccc1 1458a_100011827653_100011933945 [0,1,0,0,0,0|1,0,2]=4 950 B15R1.115 CCC=CC(=O)CC(=O)c1ccccc1 1458a_100000212282_100000211460 [0,1,0,0,0,0|1,0,0]=2 951 B15R1.115 CCC=CC(=O)CC(=O)c1ccccn1 1458a_100000212282_100000027445 [0,1,0,0,0,0|2,0,0]=3 952 B15R1.115 CCC=CC(=O)CC(=O)c1cccnc1 1458a_100000212282_100015188593 [0,1,0,0,0,0|2,0,0]=3 953 B15R1.115 CCC=CC(=O)CC(=O)c1ccncc1 1458a_100000212282_100000027454 [0,1,0,0,0,0|2,0,0]=3 954 B15R1.115 CCC=CC(=O)CC(=O)c1ncccn1 1458a_100000212282_100020636365 [0,1,0,0,0,0|3,0,0]=4 955 B15R1.115 CCC=CC(=O)CC(C)c1ccccc1 1458a_100000212282_100000756946 [0,1,0,0,0,0|2,0,1]=4 956 B15R1.115 CCC=CC(=O)CC(O)c1ccccc1 1458a_100000212282_100000185958 [0,1,0,0,0,0|1,0,2]=4 957 B15R1.115 CCC=CC(=O)C[C@@H](O)c1ccccc1 1458a_100000212282_100011933945 [0,1,0,0,0,0|1,0,2]=4 958 B15R1.115 CCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210211 [0,1,0,0,0,0|2,0,1]=4 959 B15R1.115 CCCCC(=O)CC(=O)c1ccccc1 1458a_100000210183_100000211460 [0,1,0,0,0,0|1,0,0]=2 960 B15R1.115 CCCCC(=O)CC(=O)c1ccccn1 1458a_100000210183_100000027445 [0,1,0,0,0,0|2,0,0]=3 961 B15R1.115 CCCCC(=O)CC(=O)c1cccnc1 1458a_100000210183_100015188593 [0,1,0,0,0,0|2,0,0]=3 962 B15R1.115 CCCCC(=O)CC(=O)c1ccncc1 1458a_100000210183_100000027454 [0,1,0,0,0,0|2,0,0]=3 963 B15R1.115 CCCCC(=O)CC(=O)c1ncccn1 1458a_100000210183_100020636365 [0,1,0,0,0,0|3,0,0]=4 964 B15R1.115 CCCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210211 [0,1,0,0,0,0|2,0,1]=4 965 B15R1.115 CCCCC(=O)CC(C)c1ccccc1 1458a_100000210183_100000756946 [0,1,0,0,0,0|2,0,1]=4 966 B15R1.115 CCCCC(=O)CC(O)c1ccccc1 1458a_100000210183_100000185958 [0,1,0,0,0,0|1,0,2]=4 967 B15R1.115 CCCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210211 [0,1,0,0,0,0|1,0,2]=4 968 B15R1.115 CCCCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210211 [0,1,0,0,0,0|3,0,0]=4 969 B15R1.115 CCCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000210183_100011933945 [0,1,0,0,0,0|1,0,2]=4 970 B15R1.115 CCCCN(C)CC(=O)c1ccccc1 269982a_100000207549_100000211460 [0,1,0,0,0,0|3,0,0]=4 971 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 11a_100020643023_100000743005 [0,1,0,0,0,0|2,0,1]=4 972 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 1626a_100020643023_100000743005 [0,1,0,0,0,0|2,0,1]=4 973 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 240690a_100020643023_100000743005 [0,1,0,0,0,0|2,0,1]=4 974 B15R1.115 CCCNC(=O)C=C(C)c1ccccc1 527a_100020643023_100000743005 [0,1,0,0,0,0|2,0,1]=4 975 B15R1.115 CCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183358 [0,1,0,0,0,0|1,0,0]=2 976 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 11a_100020643023_100000183687 [0,1,0,0,0,0|2,0,1]=4 977 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 1626a_100020643023_100000183687 [0,1,0,0,0,0|2,0,1]=4 978 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 240690a_100020643023_100000183687 [0,1,0,0,0,0|2,0,1]=4 979 B15R1.115 CCCNC(=O)CC(C)c1ccccc1 527a_100020643023_100000183687 [0,1,0,0,0,0|2,0,1]=4 980 B15R1.115 CCCNC(=O)CC(O)c1ccccc1 240690a_100020643023_100000690199 [0,1,0,0,0,0|1,0,2]=4 981 B15R1.115 CCCNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183358 [0,1,0,0,0,0|3,0,0]=4 982 B15R1.115 CCCNC(=O)CN(C)c1ccccc1 240690a_100020643023_100000745425 [0,1,0,0,0,0|3,0,0]=4 983 B15R1.115 CCCNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183358 [0,1,0,0,0,0|3,0,0]=4 984 B15R1.115 CCCNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183358 [0,1,0,0,0,0|3,0,0]=4 985 B15R1.115 CCCNC(=O)CN(C)c1ccccc1 527a_100020643023_100000745425 [0,1,0,0,0,0|3,0,0]=4 986 B15R1.115 CCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_200011215008 [0,1,0,0,0,0|0,0,0]=1 987 B15R1.115 CCCOC(=O)CN(C)c1ccccc1 2230a_100000210012_200011215008 [0,1,0,0,0,0|2,0,0]=3 988 B15R1.115 CCCOC(=O)CN(C)c1ccccc1 269982a_100000210012_200011215008 [0,1,0,0,0,0|2,0,0]=3 989 B15R1.115 CCCOC(=O)CN(C)c1ccccc1 34a_100000210012_200011215008 [0,1,0,0,0,0|2,0,0]=3 990 B15R1.115 CCNNC(=O)C=C(C)c1ccccc1 22a_100000756455_100000743005 [0,1,0,0,0,0|2,0,1]=4 991 B15R1.115 CCNNC(=O)CC(C)c1ccccc1 22a_100000756455_100000183687 [0,1,0,0,0,0|2,0,1]=4 992 B15R1.115 CCNNC(=O)CC(O)c1ccccc1 22a_100000756455_100000690199 [0,1,0,0,0,0|1,0,2]=4 993 B15R1.115 CCNNC(=O)CN(C)c1ccccc1 22a_100000756455_100000745425 [0,1,0,0,0,0|3,0,0]=4 994 B15R1.115 CCOCC(=O)CC(=O)c1ccccc1 1458a_100000211967_100000211460 [0,1,0,0,0,0|0,0,0]=1 995 B15R1.115 CCOCC(=O)CC(=O)c1ccccn1 1458a_100000211967_100000027445 [0,1,0,0,0,0|1,0,0]=2 996 B15R1.115 CCOCC(=O)CC(=O)c1cccnc1 1458a_100000211967_100015188593 [0,1,0,0,0,0|1,0,0]=2 997 B15R1.115 CCOCC(=O)CC(=O)c1ccncc1 1458a_100000211967_100000027454 [0,1,0,0,0,0|1,0,0]=2 998 B15R1.115 CCOCC(=O)CC(=O)c1ncccn1 1458a_100000211967_100020636365 [0,1,0,0,0,0|2,0,0]=3 999 B15R1.115 CCOCC(=O)CC(C)c1ccccc1 1458a_100000211967_100000756946 [0,1,0,0,0,0|1,0,1]=3 1000 B15R1.115 CCOCC(=O)CC(O)c1ccccc1 1458a_100000211967_100000185958 [0,1,0,0,0,0|0,0,2]=3 1001 B15R1.115 CCOCC(=O)C[C@@H](O)c1ccccc1 1458a_100000211967_100011933945 [0,1,0,0,0,0|0,0,2]=3 1002 B15R1.115 CCOCC(=O)NC(C)c1ccccc1 34a_100121572206_200000243715 [0,1,0,0,0,0|2,0,1]=4 1003 B15R1.115 CCOCC(=O)N[C@@H](C)c1ccccc1 34a_100121572206_100011939912 [0,1,0,0,0,0|2,0,1]=4 1004 B15R1.115 CCOCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000211967 [0,1,0,0,0,0|2,0,1]=4 1005 B15R1.115 CCOCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000211967 [0,1,0,0,0,0|2,0,1]=4 1006 B15R1.115 CCOCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000211967 [0,1,0,0,0,0|2,0,1]=4 1007 B15R1.115 CCOCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000211967 [0,1,0,0,0,0|2,0,1]=4 1008 B15R1.115 CCSCC(=O)CC(=O)c1ccccc1 1458a_100000230394_100000211460 [0,1,0,0,0,0|0,1,0]=2 1009 B15R1.115 CCSCC(=O)CC(=O)c1ccccn1 1458a_100000230394_100000027445 [0,1,0,0,0,0|1,1,0]=3 1010 B15R1.115 CCSCC(=O)CC(=O)c1cccnc1 1458a_100000230394_100015188593 [0,1,0,0,0,0|1,1,0]=3 1011 B15R1.115 CCSCC(=O)CC(=O)c1ccncc1 1458a_100000230394_100000027454 [0,1,0,0,0,0|1,1,0]=3 1012 B15R1.115 CCSCC(=O)CC(=O)c1ncccn1 1458a_100000230394_100020636365 [0,1,0,0,0,0|2,1,0]=4 1013 B15R1.115 CCSCC(=O)CC(C)c1ccccc1 1458a_100000230394_100000756946 [0,1,0,0,0,0|1,1,1]=4 1014 B15R1.115 CCSCC(=O)CC(O)c1ccccc1 1458a_100000230394_100000185958 [0,1,0,0,0,0|0,1,2]=4 1015 B15R1.115 CCSCC(=O)C[C@@H](O)c1ccccc1 1458a_100000230394_100011933945 [0,1,0,0,0,0|0,1,2]=4 1016 B15R1.115 CCSCC(=O)NC(=O)c1ccccc1 62a_100000210202_100000010347 [0,1,0,0,0,0|1,1,0]=3 1017 B15R1.115 CN(CC(=O)CCCF)c1ccccc1 1458a_100000745425_100011934791 [0,1,0,0,0,0|3,0,0]=4 1018 B15R1.115 CN(CC(=O)CCCO)c1ccccc1 1458a_100000745425_100011215043 [0,1,0,0,0,0|3,0,0]=4 1019 B15R1.115 CN(CC(=O)NCCF)c1ccccc1 240690a_100000724931_100000745425 [0,1,0,0,0,0|3,0,0]=4 1020 B15R1.115 CN(CC(=O)NCCF)c1ccccc1 527a_100000724931_100000745425 [0,1,0,0,0,0|3,0,0]=4 1021 B15R1.115 CN(CC(=O)NCCO)c1ccccc1 240690a_100000210304_100000745425 [0,1,0,0,0,0|3,0,0]=4 1022 B15R1.115 CN(CC(=O)NCCO)c1ccccc1 527a_100000210304_100000745425 [0,1,0,0,0,0|3,0,0]=4 1023 B15R1.115 CN(CCCO)CC(=O)c1ccccc1 269982a_100000213112_100000211460 [0,1,0,0,0,0|3,0,0]=4 1024 B15R1.115 COC=CC(=O)CC(=O)c1ccccc1 1458a_100016268678_100000211460 [0,1,0,0,0,0|1,0,1]=3 1025 B15R1.115 COC=CC(=O)CC(=O)c1ccccn1 1458a_100016268678_100000027445 [0,1,0,0,0,0|2,0,1]=4 1026 B15R1.115 COC=CC(=O)CC(=O)c1cccnc1 1458a_100016268678_100015188593 [0,1,0,0,0,0|2,0,1]=4 1027 B15R1.115 COC=CC(=O)CC(=O)c1ccncc1 1458a_100016268678_100000027454 [0,1,0,0,0,0|2,0,1]=4 1028 B15R1.115 COCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000233755 [0,1,0,0,0,0|2,0,1]=4 1029 B15R1.115 COCCC(=O)CC(=O)c1ccccc1 1458a_100000749529_100000211460 [0,1,0,0,0,0|1,0,0]=2 1030 B15R1.115 COCCC(=O)CC(=O)c1ccccn1 1458a_100000749529_100000027445 [0,1,0,0,0,0|2,0,0]=3 1031 B15R1.115 COCCC(=O)CC(=O)c1cccnc1 1458a_100000749529_100015188593 [0,1,0,0,0,0|2,0,0]=3 1032 B15R1.115 COCCC(=O)CC(=O)c1ccncc1 1458a_100000749529_100000027454 [0,1,0,0,0,0|2,0,0]=3 1033 B15R1.115 COCCC(=O)CC(=O)c1ncccn1 1458a_100000749529_100020636365 [0,1,0,0,0,0|3,0,0]=4 1034 B15R1.115 COCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000233755 [0,1,0,0,0,0|2,0,1]=4 1035 B15R1.115 COCCC(=O)CC(C)c1ccccc1 1458a_100000749529_100000756946 [0,1,0,0,0,0|2,0,1]=4 1036 B15R1.115 COCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000233755 [0,1,0,0,0,0|1,0,2]=4 1037 B15R1.115 COCCC(=O)CC(O)c1ccccc1 1458a_100000749529_100000185958 [0,1,0,0,0,0|1,0,2]=4 1038 B15R1.115 COCCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000233755 [0,1,0,0,0,0|3,0,0]=4 1039 B15R1.115 COCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000749529_100011933945 [0,1,0,0,0,0|1,0,2]=4 1040 B15R1.115 COCCN(C)CC(=O)c1ccccc1 269982a_100000743101_100000211460 [0,1,0,0,0,0|3,0,0]=4 1041 B15R1.115 CSCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000751147 [0,1,0,0,0,0|2,0,1]=4 1042 B15R1.115 CSCCC(=O)CC(=O)c1ccccc1 1458a_100000174002_100000211460 [0,1,0,0,0,0|1,0,0]=2 1043 B15R1.115 CSCCC(=O)CC(=O)c1ccccn1 1458a_100000174002_100000027445 [0,1,0,0,0,0|2,0,0]=3 1044 B15R1.115 CSCCC(=O)CC(=O)c1cccnc1 1458a_100000174002_100015188593 [0,1,0,0,0,0|2,0,0]=3 1045 B15R1.115 CSCCC(=O)CC(=O)c1ccncc1 1458a_100000174002_100000027454 [0,1,0,0,0,0|2,0,0]=3 1046 B15R1.115 CSCCC(=O)CC(=O)c1ncccn1 1458a_100000174002_100020636365 [0,1,0,0,0,0|3,0,0]=4 1047 B15R1.115 CSCCC(=O)CC(C)c1ccccc1 1458a_100000174002_100000756946 [0,1,0,0,0,0|2,0,1]=4 1048 B15R1.115 CSCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100000751147 [0,1,0,0,0,0|2,0,1]=4 1049 B15R1.115 CSCCC(=O)CC(O)c1ccccc1 1458a_100000174002_100000185958 [0,1,0,0,0,0|1,0,2]=4 1050 B15R1.115 CSCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100000751147 [0,1,0,0,0,0|1,0,2]=4 1051 B15R1.115 CSCCC(=O)CN(C)c1ccccc1 1458a_100000745425_100000751147 [0,1,0,0,0,0|3,0,0]=4 1052 B15R1.115 CSCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000174002_100011933945 [0,1,0,0,0,0|1,0,2]=4 1053 B15R1.115 CSCCN(C)CC(=O)c1ccccc1 269982a_100000686725_100000211460 [0,1,0,0,0,0|3,0,0]=4 1054 B15R1.115 N#CCCC(=O)CC(=O)c1ccccc1 1458a_100011934036_100000211460 [0,1,0,0,0,0|1,0,1]=3 1055 B15R1.115 N#CCCC(=O)CC(=O)c1ccccn1 1458a_100011934036_100000027445 [0,1,0,0,0,0|2,0,1]=4 1056 B15R1.115 N#CCCC(=O)CC(=O)c1cccnc1 1458a_100011934036_100015188593 [0,1,0,0,0,0|2,0,1]=4 1057 B15R1.115 N#CCCC(=O)CC(=O)c1ccncc1 1458a_100011934036_100000027454 [0,1,0,0,0,0|2,0,1]=4 1058 B15R1.115 N#CCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000736037 [0,1,0,0,0,0|1,0,1]=3 1059 B15R1.115 O=C(C#CCO)CC(=O)c1ccccc1 1458a_100000049017_100000211460 [0,1,0,0,0,0|1,0,1]=3 1060 B15R1.115 O=C(C#CCO)CC(=O)c1ccccn1 1458a_100000049017_100000027445 [0,1,0,0,0,0|2,0,1]=4 1061 B15R1.115 O=C(C#CCO)CC(=O)c1cccnc1 1458a_100000049017_100015188593 [0,1,0,0,0,0|2,0,1]=4 1062 B15R1.115 O=C(C#CCO)CC(=O)c1ccncc1 1458a_100000049017_100000027454 [0,1,0,0,0,0|2,0,1]=4 1063 B15R1.115 O=C(CC(O)c1ccccc1)NCCF 240690a_100000724931_100000690199 [0,1,0,0,0,0|1,0,2]=4 1064 B15R1.115 O=C(CC(O)c1ccccc1)NCCO 240690a_100000210304_100000690199 [0,1,0,0,0,0|1,0,2]=4 1065 B15R1.115 O=C(CCCF)CC(O)c1ccccc1 1458a_100000690199_100011934791 [0,1,0,0,0,0|1,0,2]=4 1066 B15R1.115 O=C(CCCO)CC(O)c1ccccc1 1458a_100000690199_100011215043 [0,1,0,0,0,0|1,0,2]=4 1067 B15R1.115 O=C(CSCF)NC(=O)c1ccccc1 62a_100015361967_100000010347 [0,1,0,0,0,0|2,1,0]=4 1068 B15R1.549 CCCN(CC)CC(=O)c1ccccc1 269982a_100000226822_100000211460 [0,1,0,0,0,0|3,0,0]=4 1069 B15R1.578 C#CCC(=O)C(C)C(=O)c1ccccc1 1458a_100011220946_100000239700 [0,1,0,0,0,0|1,0,2]=4 1070 B15R1.578 C=CCC(=O)C(C)C(=O)c1ccccc1 1458a_100000210193_100000239700 [0,1,0,0,0,0|1,0,2]=4 1071 B15R1.578 CC#CC(=O)C(C)C(=O)c1ccccc1 1458a_100000763181_100000239700 [0,1,0,0,0,0|1,0,1]=3 1072 B15R1.578 CC(C(=O)C=CBr)C(=O)c1ccccc1 1458a_100016273825_100000239700 [0,1,0,0,0,0|2,0,1]=4 1073 B15R1.578 CC(C(=O)C=CCl)C(=O)c1ccccc1 1458a_200016279998_100000239700 [0,1,0,0,0,0|2,0,1]=4 1074 B15R1.578 CC(C(=O)C=CI)C(=O)c1ccccc1 1458a_100016256311_100000239700 [0,1,0,0,0,0|2,0,1]=4 1075 B15R1.578 CC(C(=O)CC#N)C(=O)c1ccccc1 1458a_100051588842_100000239700 [0,1,0,0,0,0|2,0,1]=4 1076 B15R1.578 CC(C(=O)CCO)C(=O)c1ccccc1 1458a_100011216618_100000239700 [0,1,0,0,0,0|2,0,0]=3 1077 B15R1.578 CC=CC(=O)C(C)C(=O)c1ccccc1 1458a_100000210699_100000239700 [0,1,0,0,0,0|1,0,1]=3 1078 B15R1.578 CCCC(=O)C(C)C(=O)c1ccccc1 1458a_100000211992_100000239700 [0,1,0,0,0,0|1,0,0]=2 1079 B15R1.578 CCCN(C)C(C)C(=O)c1ccccc1 2230a_100000747261_100000239700 [0,1,0,0,0,0|3,0,0]=4 1080 B15R1.578 CCCN(C)C(C)C(=O)c1ccccc1 269982a_100000747261_100000239700 [0,1,0,0,0,0|3,0,0]=4 1081 B15R1.578 CCNC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000230173 [0,1,0,0,0,0|1,0,0]=2 1082 B15R1.578 CCNC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100000230173 [0,1,0,0,0,0|3,0,0]=4 1083 B15R1.578 CCNC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100000230173 [0,1,0,0,0,0|3,0,0]=4 1084 B15R1.578 CCNC(=O)C(C)N(C)c1ccccc1 34a_100000210012_100000230173 [0,1,0,0,0,0|3,0,0]=4 1085 B15R1.578 CCOC(=O)C(=O)N(C)c1ccccc1 11a_100000210012_100014798877 [0,1,0,0,0,0|2,0,1]=4 1086 B15R1.578 CCOC(=O)C(=O)N(C)c1ccccc1 1626a_100000210012_100014798877 [0,1,0,0,0,0|2,0,1]=4 1087 B15R1.578 CCOC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100011216346 [0,1,0,0,0,0|0,0,0]=1 1088 B15R1.578 CCOC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100011215307 [0,1,0,0,0,0|2,0,0]=3 1089 B15R1.578 CCOC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100011216346 [0,1,0,0,0,0|2,0,0]=3 1090 B15R1.578 CCOC(=O)C(C)N(C)c1ccccc1 34a_100000210012_100011216346 [0,1,0,0,0,0|2,0,0]=3 1091 B15R1.578 CCOC(=O)C(F)C(=O)c1ccccc1 1458a_100000185807_100000760018 [0,1,0,0,0,0|0,0,0]=1 1092 B15R1.578 CCOC(=O)C(F)N(C)c1ccccc1 2230a_100000210012_100000760018 [0,1,0,0,0,0|2,0,0]=3 1093 B15R1.578 CCOC(=O)C(F)N(C)c1ccccc1 269982a_100000210012_100000760018 [0,1,0,0,0,0|2,0,0]=3 1094 B15R1.578 CCOC(=O)C(F)N(C)c1ccccc1 34a_100000210012_100000760018 [0,1,0,0,0,0|2,0,0]=3 1095 B15R1.578 COCC(=O)C(C)C(=O)c1ccccc1 1458a_100000210968_100000239700 [0,1,0,0,0,0|2,0,0]=3 1096 B15R1.578 CSCC(=O)C(C)C(=O)c1ccccc1 1458a_100000184570_100000239700 [0,1,0,0,0,0|2,0,0]=3 1097 B15R1.807 CC#CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000763181_100000240042 [0,1,0,0,0,0|2,0,1]=4 1098 B15R1.807 CC=CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000210699_100000240042 [0,1,0,0,0,0|2,0,1]=4 1099 B15R1.807 CCCC(=O)CC(C)(C)c1ccccc1 1458a_100011409233_100000210303 [0,1,0,0,0,0|2,0,1]=4 1100 B15R1.807 CCCC(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_100000210303 [0,1,0,0,0,0|2,0,0]=3 1101 B15R1.807 CCCC(=O)CS(=O)(=O)c1ccccc1 1458a_100000211992_100000240042 [0,1,0,0,0,0|2,0,0]=3 1102 B15R1.807 CCCC(=O)C[Si](C)(C)c1ccccc1 1458a_100000211992_100000038972 [0,1,0,0,0,0|2,1,0]=4 1103 B15R1.807 CCCC(=O)NS(=O)(=O)c1ccccc1 2740a_100000164509_100000211992 [0,1,0,0,0,0|3,0,0]=4 1104 B15R1.807 CCNC(=O)CC(C)(C)c1ccccc1 11a_100015525214_100011409233 [0,1,0,0,0,0|2,0,1]=4 1105 B15R1.807 CCNC(=O)CC(C)(C)c1ccccc1 240690a_100015525214_100011409233 [0,1,0,0,0,0|2,0,1]=4 1106 B15R1.807 CCNC(=O)CC(C)(C)c1ccccc1 527a_100015525214_100011409233 [0,1,0,0,0,0|2,0,1]=4 1107 B15R1.807 CCNC(=O)CS(=O)(=O)c1ccccc1 11a_100015525214_100000187771 [0,1,0,0,0,0|2,0,0]=3 1108 B15R1.807 CCNC(=O)CS(=O)(=O)c1ccccc1 240690a_100015525214_100000187771 [0,1,0,0,0,0|2,0,0]=3 1109 B15R1.807 CCNC(=O)CS(=O)(=O)c1ccccc1 527a_100015525214_100000187771 [0,1,0,0,0,0|2,0,0]=3 1110 B15R1.807 CNNC(=O)CS(=O)(=O)c1ccccc1 22a_100016993582_100000187771 [0,1,0,0,0,0|3,0,0]=4 1111 B15R1.807 COCC(=O)CS(=O)(=O)c1ccccc1 1458a_100000210968_100000240042 [0,1,0,0,0,0|3,0,0]=4 1112 B15R1.807 CSCC(=O)CS(=O)(=O)c1ccccc1 1458a_100000184570_100000240042 [0,1,0,0,0,0|3,0,0]=4 1113 B15R1.807 O=C(CCF)CS(=O)(=O)c1ccccc1 1458a_100000187771_100011217306 [0,1,0,0,0,0|3,0,0]=4 1114 B15R1.807 O=C(CCO)CS(=O)(=O)c1ccccc1 1458a_100000187771_100000211926 [0,1,0,0,0,0|3,0,0]=4 1115 B15R1.807 O=C(CCO)CS(=O)(=O)c1ccccc1 1458a_100011216618_100000240042 [0,1,0,0,0,0|3,0,0]=4 1116 B15R1.947 C/C=C(\C)/C(=O)CC(=O)c1ccccc1 1458a_100020587367_100000211460 [0,1,0,0,0,0|1,0,1]=3 1117 B15R1.947 C/C=C(\C)/C(=O)CC(=O)c1ccccn1 1458a_100020587367_100000027445 [0,1,0,0,0,0|2,0,1]=4 1118 B15R1.947 C/C=C(\C)/C(=O)CC(=O)c1cccnc1 1458a_100020587367_100015188593 [0,1,0,0,0,0|2,0,1]=4 1119 B15R1.947 C/C=C(\C)/C(=O)CC(=O)c1ccncc1 1458a_100020587367_100000027454 [0,1,0,0,0,0|2,0,1]=4 1120 B15R1.947 C=CC(C)C(=O)CC(=O)c1ccccc1 1458a_100011216780_100000211460 [0,1,0,0,0,0|1,0,2]=4 1121 B15R1.947 CC(C#N)C(=O)CC(=O)c1ccccc1 1458a_100000753662_100000211460 [0,1,0,0,0,0|2,0,1]=4 1122 B15R1.947 CCC(C)C(=O)C=C(C)c1ccccc1 1458a_100000743005_100000758301 [0,1,0,0,0,0|2,0,1]=4 1123 B15R1.947 CCC(C)C(=O)CC(=O)c1ccccc1 1458a_100011192722_100000211460 [0,1,0,0,0,0|1,0,0]=2 1124 B15R1.947 CCC(C)C(=O)CC(=O)c1ccccn1 1458a_100011192722_100000027445 [0,1,0,0,0,0|2,0,0]=3 1125 B15R1.947 CCC(C)C(=O)CC(=O)c1cccnc1 1458a_100011192722_100015188593 [0,1,0,0,0,0|2,0,0]=3 1126 B15R1.947 CCC(C)C(=O)CC(=O)c1ccncc1 1458a_100011192722_100000027454 [0,1,0,0,0,0|2,0,0]=3 1127 B15R1.947 CCC(C)C(=O)CC(=O)c1ncccn1 1458a_100011192722_100020636365 [0,1,0,0,0,0|3,0,0]=4 1128 B15R1.947 CCC(C)C(=O)CC(C)c1ccccc1 1458a_100000183687_100000758301 [0,1,0,0,0,0|2,0,1]=4 1129 B15R1.947 CCC(C)C(=O)CC(C)c1ccccc1 1458a_100011192722_100000756946 [0,1,0,0,0,0|2,0,1]=4 1130 B15R1.947 CCC(C)C(=O)CC(O)c1ccccc1 1458a_100000690199_100000758301 [0,1,0,0,0,0|1,0,2]=4 1131 B15R1.947 CCC(C)C(=O)CC(O)c1ccccc1 1458a_100011192722_100000185958 [0,1,0,0,0,0|1,0,2]=4 1132 B15R1.947 CCC(C)C(=O)CN(C)c1ccccc1 1458a_100000745425_100000758301 [0,1,0,0,0,0|3,0,0]=4 1133 B15R1.947 CCC(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100011192722_100011933945 [0,1,0,0,0,0|1,0,2]=4 1134 B15R1.947 CCC(C)N(C)CC(=O)c1ccccc1 269982a_100000741768_100000211460 [0,1,0,0,0,0|3,0,0]=4 1135 B15R1.947 CCC(O)C(=O)CC(=O)c1ccccc1 1458a_100011196387_100000211460 [0,1,0,0,0,0|1,0,0]=2 1136 B15R1.947 CCC(O)C(=O)CC(=O)c1ccccn1 1458a_100011196387_100000027445 [0,1,0,0,0,0|2,0,0]=3 1137 B15R1.947 CCC(O)C(=O)CC(=O)c1cccnc1 1458a_100011196387_100015188593 [0,1,0,0,0,0|2,0,0]=3 1138 B15R1.947 CCC(O)C(=O)CC(=O)c1ccncc1 1458a_100011196387_100000027454 [0,1,0,0,0,0|2,0,0]=3 1139 B15R1.947 CCC(O)C(=O)CC(=O)c1ncccn1 1458a_100011196387_100020636365 [0,1,0,0,0,0|3,0,0]=4 1140 B15R1.947 CCC(O)C(=O)CC(C)c1ccccc1 1458a_100011196387_100000756946 [0,1,0,0,0,0|2,0,1]=4 1141 B15R1.947 CCC(O)C(=O)CC(O)c1ccccc1 1458a_100011196387_100000185958 [0,1,0,0,0,0|1,0,2]=4 1142 B15R1.947 CCC(O)C(=O)C[C@@H](O)c1ccccc1 1458a_100011196387_100011933945 [0,1,0,0,0,0|1,0,2]=4 1143 B15R1.947 CCN(C)C(=O)C=C(C)c1ccccc1 11a_100000225621_100000743005 [0,1,0,0,0,0|2,0,1]=4 1144 B15R1.947 CCN(C)C(=O)C=C(C)c1ccccc1 1626a_100000225621_100000743005 [0,1,0,0,0,0|2,0,1]=4 1145 B15R1.947 CCN(C)C(=O)C=C(C)c1ccccc1 240690a_100000225621_100000743005 [0,1,0,0,0,0|2,0,1]=4 1146 B15R1.947 CCN(C)C(=O)C=C(C)c1ccccc1 527a_100000225621_100000743005 [0,1,0,0,0,0|2,0,1]=4 1147 B15R1.947 CCN(C)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100011894763 [0,1,0,0,0,0|1,0,0]=2 1148 B15R1.947 CCN(C)C(=O)CC(C)c1ccccc1 11a_100000225621_100000183687 [0,1,0,0,0,0|2,0,1]=4 1149 B15R1.947 CCN(C)C(=O)CC(C)c1ccccc1 1626a_100000225621_100000183687 [0,1,0,0,0,0|2,0,1]=4 1150 B15R1.947 CCN(C)C(=O)CC(C)c1ccccc1 240690a_100000225621_100000183687 [0,1,0,0,0,0|2,0,1]=4 1151 B15R1.947 CCN(C)C(=O)CC(C)c1ccccc1 527a_100000225621_100000183687 [0,1,0,0,0,0|2,0,1]=4 1152 B15R1.947 CCN(C)C(=O)CC(O)c1ccccc1 240690a_100000225621_100000690199 [0,1,0,0,0,0|1,0,2]=4 1153 B15R1.947 CCN(C)C(=O)CN(C)c1ccccc1 2230a_100000210012_100000738999 [0,1,0,0,0,0|3,0,0]=4 1154 B15R1.947 CCN(C)C(=O)CN(C)c1ccccc1 240690a_100000225621_100000745425 [0,1,0,0,0,0|3,0,0]=4 1155 B15R1.947 CCN(C)C(=O)CN(C)c1ccccc1 269982a_100000210012_100000738999 [0,1,0,0,0,0|3,0,0]=4 1156 B15R1.947 CCN(C)C(=O)CN(C)c1ccccc1 34a_100000210012_100000738999 [0,1,0,0,0,0|3,0,0]=4 1157 B15R1.947 CCN(C)C(=O)CN(C)c1ccccc1 527a_100000225621_100000745425 [0,1,0,0,0,0|3,0,0]=4 1158 B15R1.947 CNC(=O)C(=O)CC(=O)c1ccccc1 1458a_100011218921_100000211460 [0,1,0,0,0,0|2,0,0]=3 1159 B15R1.947 CNC(=O)C(=O)CC(=O)c1ccccn1 1458a_100011218921_100000027445 [0,1,0,0,0,0|3,0,0]=4 1160 B15R1.947 CNC(=O)C(=O)CC(=O)c1cccnc1 1458a_100011218921_100015188593 [0,1,0,0,0,0|3,0,0]=4 1161 B15R1.947 CNC(=O)C(=O)CC(=O)c1ccncc1 1458a_100011218921_100000027454 [0,1,0,0,0,0|3,0,0]=4 1162 B15R1.947 COC(C)C(=O)CC(=O)c1ccccc1 1458a_100000743197_100000211460 [0,1,0,0,0,0|2,0,0]=3 1163 B15R1.947 COC(C)C(=O)CC(=O)c1ccccn1 1458a_100000743197_100000027445 [0,1,0,0,0,0|3,0,0]=4 1164 B15R1.947 COC(C)C(=O)CC(=O)c1cccnc1 1458a_100000743197_100015188593 [0,1,0,0,0,0|3,0,0]=4 1165 B15R1.947 COC(C)C(=O)CC(=O)c1ccncc1 1458a_100000743197_100000027454 [0,1,0,0,0,0|3,0,0]=4 1166 B15R1.947 CON(C)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100000764215 [0,1,0,0,0,0|2,0,0]=3 1167 B15R1.947 CSC(C)C(=O)CC(=O)c1ccccc1 1458a_100000149566_100000211460 [0,1,0,0,0,0|2,0,0]=3 1168 B15R1.947 CSC(C)C(=O)CC(=O)c1ccccn1 1458a_100000149566_100000027445 [0,1,0,0,0,0|3,0,0]=4 1169 B15R1.947 CSC(C)C(=O)CC(=O)c1cccnc1 1458a_100000149566_100015188593 [0,1,0,0,0,0|3,0,0]=4 1170 B15R1.947 CSC(C)C(=O)CC(=O)c1ccncc1 1458a_100000149566_100000027454 [0,1,0,0,0,0|3,0,0]=4 1171 B15R1.947 O=C(CC(=O)C(O)CO)c1ccccc1 1458a_100011215603_100000211460 [0,1,0,0,0,0|2,0,0]=3 1172 B15R1.947 O=C(CC(=O)C(O)CO)c1ccccn1 1458a_100011215603_100000027445 [0,1,0,0,0,0|3,0,0]=4 1173 B15R1.947 O=C(CC(=O)C(O)CO)c1cccnc1 1458a_100011215603_100015188593 [0,1,0,0,0,0|3,0,0]=4 1174 B15R1.947 O=C(CC(=O)C(O)CO)c1ccncc1 1458a_100011215603_100000027454 [0,1,0,0,0,0|3,0,0]=4 1175 B15R1.1076 CC(=CC(=O)CC(=O)c1ccccc1)C 1458a_100000211388_100000211460 [0,1,0,0,0,0|1,0,1]=3 1176 B15R1.1076 CC(=CC(=O)CC(=O)c1ccccc1)Cl 1458a_200042562850_100000211460 [0,1,0,0,0,0|1,0,1]=3 1177 B15R1.1076 CC(=CC(=O)CC(=O)c1ccccc1)I 1458a_100025716642_100000211460 [0,1,0,0,0,0|1,0,1]=3 1178 B15R1.1076 CC(=CC(=O)CC(=O)c1ccccn1)C 1458a_100000211388_100000027445 [0,1,0,0,0,0|2,0,1]=4 1179 B15R1.1076 CC(=CC(=O)CC(=O)c1ccccn1)Cl 1458a_200042562850_100000027445 [0,1,0,0,0,0|2,0,1]=4 1180 B15R1.1076 CC(=CC(=O)CC(=O)c1ccccn1)I 1458a_100025716642_100000027445 [0,1,0,0,0,0|2,0,1]=4 1181 B15R1.1076 CC(=CC(=O)CC(=O)c1cccnc1)C 1458a_100000211388_100015188593 [0,1,0,0,0,0|2,0,1]=4 1182 B15R1.1076 CC(=CC(=O)CC(=O)c1cccnc1)Cl 1458a_200042562850_100015188593 [0,1,0,0,0,0|2,0,1]=4 1183 B15R1.1076 CC(=CC(=O)CC(=O)c1cccnc1)I 1458a_100025716642_100015188593 [0,1,0,0,0,0|2,0,1]=4 1184 B15R1.1076 CC(=CC(=O)CC(=O)c1ccncc1)C 1458a_100000211388_100000027454 [0,1,0,0,0,0|2,0,1]=4 1185 B15R1.1076 CC(=CC(=O)CC(=O)c1ccncc1)Cl 1458a_200042562850_100000027454 [0,1,0,0,0,0|2,0,1]=4 1186 B15R1.1076 CC(=CC(=O)CC(=O)c1ccncc1)I 1458a_100025716642_100000027454 [0,1,0,0,0,0|2,0,1]=4 1187 B15R1.1076 CC(=CC(=O)CC(C)C)c1ccccc1 1458a_100000743005_100000210624 [0,1,0,0,0,0|2,0,1]=4 1188 B15R1.1076 CC(=CC(=O)CC(C)O)c1ccccc1 1458a_100000743005_100011218427 [0,1,0,0,0,0|2,0,1]=4 1189 B15R1.1076 CC(=CC(=O)NC(C)C)c1ccccc1 11a_100138425928_100000743005 [0,1,0,0,0,0|2,0,1]=4 1190 B15R1.1076 CC(=CC(=O)NC(C)C)c1ccccc1 1626a_100138425928_100000743005 [0,1,0,0,0,0|2,0,1]=4 1191 B15R1.1076 CC(=CC(=O)NC(C)C)c1ccccc1 240690a_100138425928_100000743005 [0,1,0,0,0,0|2,0,1]=4 1192 B15R1.1076 CC(=CC(=O)NC(C)C)c1ccccc1 527a_100138425928_100000743005 [0,1,0,0,0,0|2,0,1]=4 1193 B15R1.1076 CC(=O)CC(=O)NC(=O)c1ccccc1 1458a_100000070787_100000010347 [0,1,0,0,0,0|2,0,1]=4 1194 B15R1.1076 CC(=O)NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183797 [0,1,0,0,0,0|1,0,1]=3 1195 B15R1.1076 CC(C)CC(=O)CC(=O)c1ccccc1 1458a_100000210554_100000211460 [0,1,0,0,0,0|1,0,0]=2 1196 B15R1.1076 CC(C)CC(=O)CC(=O)c1ccccn1 1458a_100000210554_100000027445 [0,1,0,0,0,0|2,0,0]=3 1197 B15R1.1076 CC(C)CC(=O)CC(=O)c1cccnc1 1458a_100000210554_100015188593 [0,1,0,0,0,0|2,0,0]=3 1198 B15R1.1076 CC(C)CC(=O)CC(=O)c1ccncc1 1458a_100000210554_100000027454 [0,1,0,0,0,0|2,0,0]=3 1199 B15R1.1076 CC(C)CC(=O)CC(=O)c1ncccn1 1458a_100000210554_100020636365 [0,1,0,0,0,0|3,0,0]=4 1200 B15R1.1076 CC(C)CC(=O)CC(C)c1ccccc1 1458a_100000183687_100000210624 [0,1,0,0,0,0|2,0,1]=4 1201 B15R1.1076 CC(C)CC(=O)CC(C)c1ccccc1 1458a_100000210554_100000756946 [0,1,0,0,0,0|2,0,1]=4 1202 B15R1.1076 CC(C)CC(=O)CC(O)c1ccccc1 1458a_100000210554_100000185958 [0,1,0,0,0,0|1,0,2]=4 1203 B15R1.1076 CC(C)CC(=O)CC(O)c1ccccc1 1458a_100000690199_100000210624 [0,1,0,0,0,0|1,0,2]=4 1204 B15R1.1076 CC(C)CC(=O)CN(C)c1ccccc1 1458a_100000745425_100000210624 [0,1,0,0,0,0|3,0,0]=4 1205 B15R1.1076 CC(C)CC(=O)C[C@@H](O)c1ccccc1 1458a_100000210554_100011933945 [0,1,0,0,0,0|1,0,2]=4 1206 B15R1.1076 CC(C)CN(C)CC(=O)c1ccccc1 269982a_100000747067_100000211460 [0,1,0,0,0,0|3,0,0]=4 1207 B15R1.1076 CC(C)NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183996 [0,1,0,0,0,0|1,0,0]=2 1208 B15R1.1076 CC(C)NC(=O)CC(C)c1ccccc1 11a_100138425928_100000183687 [0,1,0,0,0,0|2,0,1]=4 1209 B15R1.1076 CC(C)NC(=O)CC(C)c1ccccc1 1626a_100138425928_100000183687 [0,1,0,0,0,0|2,0,1]=4 1210 B15R1.1076 CC(C)NC(=O)CC(C)c1ccccc1 240690a_100138425928_100000183687 [0,1,0,0,0,0|2,0,1]=4 1211 B15R1.1076 CC(C)NC(=O)CC(C)c1ccccc1 527a_100138425928_100000183687 [0,1,0,0,0,0|2,0,1]=4 1212 B15R1.1076 CC(C)NC(=O)CC(O)c1ccccc1 240690a_100138425928_100000690199 [0,1,0,0,0,0|1,0,2]=4 1213 B15R1.1076 CC(C)NC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183996 [0,1,0,0,0,0|3,0,0]=4 1214 B15R1.1076 CC(C)NC(=O)CN(C)c1ccccc1 240690a_100138425928_100000745425 [0,1,0,0,0,0|3,0,0]=4 1215 B15R1.1076 CC(C)NC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183996 [0,1,0,0,0,0|3,0,0]=4 1216 B15R1.1076 CC(C)NC(=O)CN(C)c1ccccc1 34a_100000210012_100000183996 [0,1,0,0,0,0|3,0,0]=4 1217 B15R1.1076 CC(C)NC(=O)CN(C)c1ccccc1 527a_100138425928_100000745425 [0,1,0,0,0,0|3,0,0]=4 1218 B15R1.1076 CC(C)OC(=O)CC(=O)c1ccccc1 1458a_100000185807_100011215430 [0,1,0,0,0,0|0,0,0]=1 1219 B15R1.1076 CC(C)OC(=O)CN(C)c1ccccc1 2230a_100000210012_100011215430 [0,1,0,0,0,0|2,0,0]=3 1220 B15R1.1076 CC(C)OC(=O)CN(C)c1ccccc1 269982a_100000210012_100011215430 [0,1,0,0,0,0|2,0,0]=3 1221 B15R1.1076 CC(C)OC(=O)CN(C)c1ccccc1 34a_100000210012_100011215430 [0,1,0,0,0,0|2,0,0]=3 1222 B15R1.1076 CC(CC(=O)C[C@@H](C)O)c1ccccc1 1458a_100011933948_100000756946 [0,1,0,0,0,0|2,0,1]=4 1223 B15R1.1076 CC(O)CC(=O)CC(C)c1ccccc1 1458a_100000183687_100011218427 [0,1,0,0,0,0|2,0,1]=4 1224 B15R1.1076 CC(O)CC(=O)CC(O)c1ccccc1 1458a_100000690199_100011218427 [0,1,0,0,0,0|1,0,2]=4 1225 B15R1.1076 CC(O)CC(=O)CN(C)c1ccccc1 1458a_100000745425_100011218427 [0,1,0,0,0,0|3,0,0]=4 1226 B15R1.1076 CC(O)CN(C)CC(=O)c1ccccc1 269982a_100000227577_100000211460 [0,1,0,0,0,0|3,0,0]=4 1227 B15R1.1076 CN(C)CC(=O)CC(=O)c1ccccc1 1458a_100000750896_100000211460 [0,1,0,0,0,0|2,0,0]=3 1228 B15R1.1076 CN(C)CC(=O)CC(=O)c1ccccn1 1458a_100000750896_100000027445 [0,1,0,0,0,0|3,0,0]=4 1229 B15R1.1076 CN(C)CC(=O)CC(=O)c1cccnc1 1458a_100000750896_100015188593 [0,1,0,0,0,0|3,0,0]=4 1230 B15R1.1076 CN(C)CC(=O)CC(=O)c1ccncc1 1458a_100000750896_100000027454 [0,1,0,0,0,0|3,0,0]=4 1231 B15R1.1076 CN(C)CC(=O)NC(=O)c1ccccc1 269982a_100102631434_100000010347 [0,1,0,0,0,0|3,0,0]=4 1232 B15R1.1076 C[C@@H](O)CC(=O)CC(=O)c1ccccc1 1458a_100011933948_100000211460 [0,1,0,0,0,0|1,0,0]=2 1233 B15R1.1076 C[C@@H](O)CC(=O)CC(=O)c1ccccn1 1458a_100011933948_100000027445 [0,1,0,0,0,0|2,0,0]=3 1234 B15R1.1076 C[C@@H](O)CC(=O)CC(=O)c1cccnc1 1458a_100011933948_100015188593 [0,1,0,0,0,0|2,0,0]=3 1235 B15R1.1076 C[C@@H](O)CC(=O)CC(=O)c1ccncc1 1458a_100011933948_100000027454 [0,1,0,0,0,0|2,0,0]=3 1236 B15R1.1076 C[C@@H](O)CC(=O)CC(=O)c1ncccn1 1458a_100011933948_100020636365 [0,1,0,0,0,0|3,0,0]=4 1237 B15R1.1076 C[C@@H](O)CC(=O)CC(O)c1ccccc1 1458a_100011933948_100000185958 [0,1,0,0,0,0|1,0,2]=4 1238 B15R1.1076 C[C@@H](O)CC(=O)C[C@@H](O)c1ccccc1 1458a_100011933948_100011933945 [0,1,0,0,0,0|1,0,2]=4 1239 B15R1.1076 C[S+](C)CC(=O)CC(=O)c1ccccc1 1458a_200159257847_100000211460 [0,1,0,0,0,0|2,0,0]=3 1240 B15R1.1076 C[S+](C)CC(=O)CC(=O)c1ccccn1 1458a_200159257847_100000027445 [0,1,0,0,0,0|3,0,0]=4 1241 B15R1.1076 C[S+](C)CC(=O)CC(=O)c1cccnc1 1458a_200159257847_100015188593 [0,1,0,0,0,0|3,0,0]=4 1242 B15R1.1076 C[S+](C)CC(=O)CC(=O)c1ccncc1 1458a_200159257847_100000027454 [0,1,0,0,0,0|3,0,0]=4 1243 B15R1.1076 NC(=O)CC(=O)CC(=O)c1ccccc1 1458a_100134613110_100000211460 [0,1,0,0,0,0|2,0,1]=4 1244 B15R1.1076 NC(=O)NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000182717 [0,1,0,0,0,0|2,0,1]=4 1245 B15R1.1076 O=C(C=C(Cl)Cl)CC(=O)c1ccccc1 1458a_100000137448_100000211460 [0,1,0,0,0,0|2,0,1]=4 1246 B15R1.1257 CCCC(=O)CC(C#N)c1ccccc1 1458a_200000079825_100000210303 [0,1,0,0,0,0|2,0,1]=4 1247 B15R1.1257 CCCC(=O)CC(CO)c1ccccc1 1458a_106726389045_100000210303 [0,1,0,0,0,0|1,0,2]=4 1248 B15R1.1257 CCCC(=O)CN(CC)c1ccccc1 2230a_100000210013_100000747444 [0,1,0,0,0,0|3,0,0]=4 1249 B15R1.1257 CCCC(=O)CN(CC)c1ccccc1 269982a_100000210013_100000747444 [0,1,0,0,0,0|3,0,0]=4 1250 B15R1.1257 CCNC(=O)CC(C#N)c1ccccc1 11a_100015525214_200000079825 [0,1,0,0,0,0|2,0,1]=4 1251 B15R1.1257 CCNC(=O)CC(C#N)c1ccccc1 240690a_100015525214_200000079825 [0,1,0,0,0,0|2,0,1]=4 1252 B15R1.1257 CCNC(=O)CC(C#N)c1ccccc1 527a_100015525214_200000079825 [0,1,0,0,0,0|2,0,1]=4 1253 B15R1.1257 CCNC(=O)CC(CO)c1ccccc1 240690a_100015525214_106726389045 [0,1,0,0,0,0|1,0,2]=4 1254 B15R1.1257 CCNC(=O)CN(CC)c1ccccc1 2230a_100000210013_100000183381 [0,1,0,0,0,0|3,0,0]=4 1255 B15R1.1257 CCNC(=O)CN(CC)c1ccccc1 269982a_100000210013_100000183381 [0,1,0,0,0,0|3,0,0]=4 1256 B15R1.1257 CCNC(=O)CN(CC)c1ccccc1 34a_100000210013_100000183381 [0,1,0,0,0,0|3,0,0]=4 1257 B15R1.1257 CCOC(=O)CC(OC)c1ccccc1 7a_100000756809_200000210301 [0,1,0,0,0,0|0,0,2]=3 1258 B15R1.1257 CCOC(=O)CC(O[13CH3])c1ccccc1 7a_100000756809_200025704644 [0,1,0,0,0,0|0,0,2]=3 1259 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 2230a_100000210013_100000188475 [0,1,0,0,0,0|2,0,0]=3 1260 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 2230a_100000219562_100000210202 [0,1,0,0,0,0|2,0,0]=3 1261 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 269982a_100000210013_100000188475 [0,1,0,0,0,0|2,0,0]=3 1262 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 269982a_100000219562_100000204670 [0,1,0,0,0,0|2,0,0]=3 1263 B15R1.1257 CCOC(=O)CN(CC)c1ccccc1 34a_100000210013_100000188475 [0,1,0,0,0,0|2,0,0]=3 1264 B15R1.1257 CCOC(=O)CN(CF)c1ccccc1 269982a_100000219562_100015361967 [0,1,0,0,0,0|2,0,0]=3 1265 B15R1.3722 C#CCC(=O)CC(=O)c1ccccc1Br 1458a_100011220946_100000199116 [0,1,0,0,0,0|1,0,2]=4 1266 B15R1.3722 C#CCC(=O)CC(=O)c1ccccc1C 1458a_100011220946_100000741374 [0,1,0,0,0,0|1,0,2]=4 1267 B15R1.3722 C#CCC(=O)CC(=O)c1ccccc1Cl 1458a_100011220946_100000211432 [0,1,0,0,0,0|1,0,2]=4 1268 B15R1.3722 C#CCC(=O)CC(=O)c1ccccc1F 1458a_100011220946_100000204681 [0,1,0,0,0,0|1,0,2]=4 1269 B15R1.3722 C#CCC(=O)CC(=O)c1ccccc1O 1458a_100011220946_100000188908 [0,1,0,0,0,0|1,0,2]=4 1270 B15R1.3722 C=CCC(=O)CC(=O)c1ccccc1Br 1458a_100000210193_100000199116 [0,1,0,0,0,0|1,0,2]=4 1271 B15R1.3722 C=CCC(=O)CC(=O)c1ccccc1C 1458a_100000210193_100000741374 [0,1,0,0,0,0|1,0,2]=4 1272 B15R1.3722 C=CCC(=O)CC(=O)c1ccccc1Cl 1458a_100000210193_100000211432 [0,1,0,0,0,0|1,0,2]=4 1273 B15R1.3722 C=CCC(=O)CC(=O)c1ccccc1F 1458a_100000210193_100000204681 [0,1,0,0,0,0|1,0,2]=4 1274 B15R1.3722 C=CCC(=O)CC(=O)c1ccccc1O 1458a_100000210193_100000188908 [0,1,0,0,0,0|1,0,2]=4 1275 B15R1.3722 C=COC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000036128 [0,1,0,0,0,0|0,0,2]=3 1276 B15R1.3722 C=COC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000036128 [0,1,0,0,0,0|0,0,2]=3 1277 B15R1.3722 C=COC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000036128 [0,1,0,0,0,0|0,0,2]=3 1278 B15R1.3722 C=COC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000036128 [0,1,0,0,0,0|0,0,2]=3 1279 B15R1.3722 C=COC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000036128 [0,1,0,0,0,0|0,0,2]=3 1280 B15R1.3722 C=COC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000036128 [0,1,0,0,0,0|0,0,2]=3 1281 B15R1.3722 C=COC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000036128 [0,1,0,0,0,0|0,0,2]=3 1282 B15R1.3722 CC#CC(=O)CC(=O)c1ccccc1Br 1458a_100000763181_100000199116 [0,1,0,0,0,0|1,0,1]=3 1283 B15R1.3722 CC#CC(=O)CC(=O)c1ccccc1C 1458a_100000763181_100000741374 [0,1,0,0,0,0|1,0,1]=3 1284 B15R1.3722 CC#CC(=O)CC(=O)c1ccccc1Cl 1458a_100000763181_100000211432 [0,1,0,0,0,0|1,0,1]=3 1285 B15R1.3722 CC#CC(=O)CC(=O)c1ccccc1F 1458a_100000763181_100000204681 [0,1,0,0,0,0|1,0,1]=3 1286 B15R1.3722 CC#CC(=O)CC(=O)c1ccccc1O 1458a_100000763181_100000188908 [0,1,0,0,0,0|1,0,1]=3 1287 B15R1.3722 CC=CC(=O)CC(=O)c1ccccc1Br 1458a_100000210699_100000199116 [0,1,0,0,0,0|1,0,1]=3 1288 B15R1.3722 CC=CC(=O)CC(=O)c1ccccc1C 1458a_100000210699_100000741374 [0,1,0,0,0,0|1,0,1]=3 1289 B15R1.3722 CC=CC(=O)CC(=O)c1ccccc1Cl 1458a_100000210699_100000211432 [0,1,0,0,0,0|1,0,1]=3 1290 B15R1.3722 CC=CC(=O)CC(=O)c1ccccc1F 1458a_100000210699_100000204681 [0,1,0,0,0,0|1,0,1]=3 1291 B15R1.3722 CC=CC(=O)CC(=O)c1ccccc1O 1458a_100000210699_100000188908 [0,1,0,0,0,0|1,0,1]=3 1292 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000747444 [0,1,0,0,0,0|1,0,0]=2 1293 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1Br 1458a_100000211992_100000199116 [0,1,0,0,0,0|1,0,0]=2 1294 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1C 1458a_100000211992_100000741374 [0,1,0,0,0,0|1,0,0]=2 1295 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000747444 [0,1,0,0,0,0|1,0,0]=2 1296 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000747444 [0,1,0,0,0,0|1,0,0]=2 1297 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1Cl 1458a_100000211992_100000211432 [0,1,0,0,0,0|1,0,0]=2 1298 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000747444 [0,1,0,0,0,0|1,0,0]=2 1299 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1F 1458a_100000211992_100000204681 [0,1,0,0,0,0|1,0,0]=2 1300 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000747444 [0,1,0,0,0,0|1,0,0]=2 1301 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1O 1458a_100000211992_100000188908 [0,1,0,0,0,0|1,0,0]=2 1302 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000747444 [0,1,0,0,0,0|1,0,0]=2 1303 B15R1.3722 CCCC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000747444 [0,1,0,0,0,0|1,0,0]=2 1304 B15R1.3722 CCCC(=O)CC(C)c1ccccc1Br 1458a_100000743458_100000210303 [0,1,0,0,0,0|2,0,1]=4 1305 B15R1.3722 CCCC(=O)CC(C)c1ccccc1Cl 1458a_100012184337_100000210303 [0,1,0,0,0,0|2,0,1]=4 1306 B15R1.3722 CCCC(=O)CN(C)c1ccccc1Br 2230a_100020606079_100000747444 [0,1,0,0,0,0|3,0,0]=4 1307 B15R1.3722 CCCC(=O)CN(C)c1ccccc1Br 269982a_100020606079_100000747444 [0,1,0,0,0,0|3,0,0]=4 1308 B15R1.3722 CCCC(=O)CN(C)c1ccccc1C 2230a_100000219699_100000747444 [0,1,0,0,0,0|3,0,0]=4 1309 B15R1.3722 CCCC(=O)CN(C)c1ccccc1C 269982a_100000219699_100000747444 [0,1,0,0,0,0|3,0,0]=4 1310 B15R1.3722 CCCC(=O)CN(C)c1ccccc1Cl 2230a_100000219374_100000747444 [0,1,0,0,0,0|3,0,0]=4 1311 B15R1.3722 CCCC(=O)CN(C)c1ccccc1Cl 269982a_100000219374_100000747444 [0,1,0,0,0,0|3,0,0]=4 1312 B15R1.3722 CCCC(=O)CN(C)c1ccccc1F 2230a_100000220357_100000747444 [0,1,0,0,0,0|3,0,0]=4 1313 B15R1.3722 CCCC(=O)CN(C)c1ccccc1F 269982a_100000220357_100000747444 [0,1,0,0,0,0|3,0,0]=4 1314 B15R1.3722 CCCC(=O)CN(C)c1ccccc1O 269982a_100000033821_100000747444 [0,1,0,0,0,0|3,0,0]=4 1315 B15R1.3722 CCCC(C)CC(=O)c1ccccc1Br 1458a_100000188424_100011216630 [0,1,0,0,0,0|2,0,1]=4 1316 B15R1.3722 CCCC(C)CC(=O)c1ccccc1C 1458a_100000212026_100011216630 [0,1,0,0,0,0|2,0,1]=4 1317 B15R1.3722 CCCC(C)CC(=O)c1ccccc1Cl 1458a_100000185844_100011216630 [0,1,0,0,0,0|2,0,1]=4 1318 B15R1.3722 CCCC(C)CC(=O)c1ccccc1F 1458a_100000188656_100011216630 [0,1,0,0,0,0|2,0,1]=4 1319 B15R1.3722 CCCC(C)CC(=O)c1ccccc1I 1458a_100000187884_100011216630 [0,1,0,0,0,0|2,0,1]=4 1320 B15R1.3722 CCCC(C)CC(=O)c1ccccc1O 1458a_100015234032_100011216630 [0,1,0,0,0,0|2,0,1]=4 1321 B15R1.3722 CCCC(C)CC(=O)c1ccccc1[O-] 1458a_100009911694_100011216630 [0,1,0,0,0,0|2,0,1]=4 1322 B15R1.3722 CCCN(C)CC(=O)c1ccccc1Br 269982a_100000747261_100000199116 [0,1,0,0,0,0|3,0,0]=4 1323 B15R1.3722 CCCN(C)CC(=O)c1ccccc1C 2230a_100000747261_100000741374 [0,1,0,0,0,0|3,0,0]=4 1324 B15R1.3722 CCCN(C)CC(=O)c1ccccc1C 269982a_100000747261_100000741374 [0,1,0,0,0,0|3,0,0]=4 1325 B15R1.3722 CCCN(C)CC(=O)c1ccccc1Cl 269982a_100000747261_100000211432 [0,1,0,0,0,0|3,0,0]=4 1326 B15R1.3722 CCCN(C)CC(=O)c1ccccc1F 269982a_100000747261_100000204681 [0,1,0,0,0,0|3,0,0]=4 1327 B15R1.3722 CCCN(C)CC(=O)c1ccccc1O 269982a_100000747261_100000188908 [0,1,0,0,0,0|3,0,0]=4 1328 B15R1.3722 CCNC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000183381 [0,1,0,0,0,0|1,0,0]=2 1329 B15R1.3722 CCNC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000183381 [0,1,0,0,0,0|1,0,0]=2 1330 B15R1.3722 CCNC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000183381 [0,1,0,0,0,0|1,0,0]=2 1331 B15R1.3722 CCNC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000183381 [0,1,0,0,0,0|1,0,0]=2 1332 B15R1.3722 CCNC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000183381 [0,1,0,0,0,0|1,0,0]=2 1333 B15R1.3722 CCNC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000183381 [0,1,0,0,0,0|1,0,0]=2 1334 B15R1.3722 CCNC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000183381 [0,1,0,0,0,0|1,0,0]=2 1335 B15R1.3722 CCNC(=O)CC(C)c1ccccc1Br 11a_100015525214_100000743458 [0,1,0,0,0,0|2,0,1]=4 1336 B15R1.3722 CCNC(=O)CC(C)c1ccccc1Br 240690a_100015525214_100000743458 [0,1,0,0,0,0|2,0,1]=4 1337 B15R1.3722 CCNC(=O)CC(C)c1ccccc1Br 527a_100015525214_100000743458 [0,1,0,0,0,0|2,0,1]=4 1338 B15R1.3722 CCNC(=O)CC(C)c1ccccc1Cl 11a_100015525214_100012184337 [0,1,0,0,0,0|2,0,1]=4 1339 B15R1.3722 CCNC(=O)CC(C)c1ccccc1Cl 240690a_100015525214_100012184337 [0,1,0,0,0,0|2,0,1]=4 1340 B15R1.3722 CCNC(=O)CC(C)c1ccccc1Cl 527a_100015525214_100012184337 [0,1,0,0,0,0|2,0,1]=4 1341 B15R1.3722 CCNC(=O)CN(C)c1ccccc1Br 2230a_100020606079_100000183381 [0,1,0,0,0,0|3,0,0]=4 1342 B15R1.3722 CCNC(=O)CN(C)c1ccccc1Br 269982a_100020606079_100000183381 [0,1,0,0,0,0|3,0,0]=4 1343 B15R1.3722 CCNC(=O)CN(C)c1ccccc1Br 34a_100020606079_100000183381 [0,1,0,0,0,0|3,0,0]=4 1344 B15R1.3722 CCNC(=O)CN(C)c1ccccc1C 2230a_100000219699_100000183381 [0,1,0,0,0,0|3,0,0]=4 1345 B15R1.3722 CCNC(=O)CN(C)c1ccccc1C 269982a_100000219699_100000183381 [0,1,0,0,0,0|3,0,0]=4 1346 B15R1.3722 CCNC(=O)CN(C)c1ccccc1C 34a_100000219699_100000183381 [0,1,0,0,0,0|3,0,0]=4 1347 B15R1.3722 CCNC(=O)CN(C)c1ccccc1Cl 2230a_100000219374_100000183381 [0,1,0,0,0,0|3,0,0]=4 1348 B15R1.3722 CCNC(=O)CN(C)c1ccccc1Cl 269982a_100000219374_100000183381 [0,1,0,0,0,0|3,0,0]=4 1349 B15R1.3722 CCNC(=O)CN(C)c1ccccc1Cl 34a_100000219374_100000183381 [0,1,0,0,0,0|3,0,0]=4 1350 B15R1.3722 CCNC(=O)CN(C)c1ccccc1F 2230a_100000220357_100000183381 [0,1,0,0,0,0|3,0,0]=4 1351 B15R1.3722 CCNC(=O)CN(C)c1ccccc1F 269982a_100000220357_100000183381 [0,1,0,0,0,0|3,0,0]=4 1352 B15R1.3722 CCNC(=O)CN(C)c1ccccc1F 34a_100000220357_100000183381 [0,1,0,0,0,0|3,0,0]=4 1353 B15R1.3722 CCNC(=O)CN(C)c1ccccc1F 38a_100000220357_100000183381 [0,1,0,0,0,0|3,0,0]=4 1354 B15R1.3722 CCNC(=O)CN(C)c1ccccc1O 269982a_100000033821_100000183381 [0,1,0,0,0,0|3,0,0]=4 1355 B15R1.3722 CCOC(=O)/C=C(\C)/c1c[nH]ccc1=O 271570a_100050291487_100009998708 [0,1,0,0,0,0|2,0,1]=4 1356 B15R1.3722 CCOC(=O)/C=C(\C)/c1c[nH]ccc1=S 271570a_100050291487_200012280681 [0,1,0,0,0,0|2,0,1]=4 1357 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccc[nH]c1=O 271570a_100050291487_100000050042 [0,1,0,0,0,0|2,0,1]=4 1358 B15R1.3722 CCOC(=O)/C=C(\C)/c1cccc[n+]1C 271570a_100050291487_100000212160 [0,1,0,0,0,0|2,0,1]=4 1359 B15R1.3722 CCOC(=O)/C=C(\C)/c1cccc[n+]1[O-] 271570a_100050291487_200000042595 [0,1,0,0,0,0|2,0,1]=4 1360 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccccc1Br 271570a_100050291487_100000695589 [0,1,0,0,0,0|1,0,1]=3 1361 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccccc1C 271570a_100050291487_100000210755 [0,1,0,0,0,0|1,0,1]=3 1362 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccccc1Cl 271570a_100050291487_100000764095 [0,1,0,0,0,0|1,0,1]=3 1363 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccccc1F 271570a_100050291487_100011215700 [0,1,0,0,0,0|1,0,1]=3 1364 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccccc1N 271570a_100050291487_100000210017 [0,1,0,0,0,0|1,0,1]=3 1365 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccccc1O 271570a_100050291487_100000739446 [0,1,0,0,0,0|1,0,1]=3 1366 B15R1.3722 CCOC(=O)/C=C(\C)/c1cccnc1Br 271570a_100050291487_100010202626 [0,1,0,0,0,0|2,0,1]=4 1367 B15R1.3722 CCOC(=O)/C=C(\C)/c1cccnc1C 271570a_100050291487_100000751574 [0,1,0,0,0,0|2,0,1]=4 1368 B15R1.3722 CCOC(=O)/C=C(\C)/c1cccnc1Cl 271570a_100050291487_100000036424 [0,1,0,0,0,0|2,0,1]=4 1369 B15R1.3722 CCOC(=O)/C=C(\C)/c1cccnc1F 271570a_100050291487_100009816115 [0,1,0,0,0,0|2,0,1]=4 1370 B15R1.3722 CCOC(=O)/C=C(\C)/c1cccnc1N 271570a_100050291487_100000045569 [0,1,0,0,0,0|2,0,1]=4 1371 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccncc1Br 271570a_100050291487_100000726257 [0,1,0,0,0,0|2,0,1]=4 1372 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccncc1C 271570a_100050291487_100015191297 [0,1,0,0,0,0|2,0,1]=4 1373 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccncc1Cl 271570a_100050291487_100000708259 [0,1,0,0,0,0|2,0,1]=4 1374 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccncc1F 271570a_100050291487_100000047030 [0,1,0,0,0,0|2,0,1]=4 1375 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccncc1N 271570a_100050291487_100009815883 [0,1,0,0,0,0|2,0,1]=4 1376 B15R1.3722 CCOC(=O)/C=C(\C)/c1ccncc1O 271570a_100050291487_100009817591 [0,1,0,0,0,0|2,0,1]=4 1377 B15R1.3722 CCOC(=O)/C=C(\C)/c1cnccc1Br 271570a_100050291487_100010138639 [0,1,0,0,0,0|2,0,1]=4 1378 B15R1.3722 CCOC(=O)/C=C(\C)/c1cnccc1C 271570a_100050291487_100000761580 [0,1,0,0,0,0|2,0,1]=4 1379 B15R1.3722 CCOC(=O)/C=C(\C)/c1cnccc1Cl 271570a_100050291487_100009995489 [0,1,0,0,0,0|2,0,1]=4 1380 B15R1.3722 CCOC(=O)/C=C(\C)/c1cnccc1F 271570a_100050291487_100009820683 [0,1,0,0,0,0|2,0,1]=4 1381 B15R1.3722 CCOC(=O)/C=C(\C)/c1cnccc1N 271570a_100050291487_100000047001 [0,1,0,0,0,0|2,0,1]=4 1382 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncccc1Br 271570a_100050291487_100000696092 [0,1,0,0,0,0|2,0,1]=4 1383 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncccc1C 271570a_100050291487_100000751373 [0,1,0,0,0,0|2,0,1]=4 1384 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncccc1Cl 271570a_100050291487_100011356963 [0,1,0,0,0,0|2,0,1]=4 1385 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncccc1F 271570a_100050291487_100000685392 [0,1,0,0,0,0|2,0,1]=4 1386 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncccc1N 271570a_100050291487_100000688686 [0,1,0,0,0,0|2,0,1]=4 1387 B15R1.3722 CCOC(=O)/C=C(\C)/c1ncccc1O 271570a_100050291487_100000034122 [0,1,0,0,0,0|2,0,1]=4 1388 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000188475 [0,1,0,0,0,0|0,0,0]=1 1389 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000188475 [0,1,0,0,0,0|0,0,0]=1 1390 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000188475 [0,1,0,0,0,0|0,0,0]=1 1391 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000188475 [0,1,0,0,0,0|0,0,0]=1 1392 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000188475 [0,1,0,0,0,0|0,0,0]=1 1393 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000188475 [0,1,0,0,0,0|0,0,0]=1 1394 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1O 271570a_203496583355_100011248968 [0,1,0,0,0,0|0,0,0]=1 1395 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000188475 [0,1,0,0,0,0|0,0,0]=1 1396 B15R1.3722 CCOC(=O)CC(=O)c1cccnc1O 271570a_203496583355_100010079012 [0,1,0,0,0,0|1,0,0]=2 1397 B15R1.3722 CCOC(=O)CC(=O)c1nccnc1O 271570a_203496583355_114938573733 [0,1,0,0,0,0|2,0,0]=3 1398 B15R1.3722 CCOC(=O)CC(N)c1ccccc1O 271570a_203496583355_100020603594 [0,1,0,0,0,0|1,0,1]=3 1399 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Br 2230a_100020606079_100000188475 [0,1,0,0,0,0|2,0,0]=3 1400 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Br 269982a_100020606079_100000188475 [0,1,0,0,0,0|2,0,0]=3 1401 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Br 34a_100020606079_100000188475 [0,1,0,0,0,0|2,0,0]=3 1402 B15R1.3722 CCOC(=O)CN(C)c1ccccc1C 2230a_100000219699_100000188475 [0,1,0,0,0,0|2,0,0]=3 1403 B15R1.3722 CCOC(=O)CN(C)c1ccccc1C 2230a_200000219698_200000210301 [0,1,0,0,0,0|2,0,0]=3 1404 B15R1.3722 CCOC(=O)CN(C)c1ccccc1C 269982a_100000219699_100000188475 [0,1,0,0,0,0|2,0,0]=3 1405 B15R1.3722 CCOC(=O)CN(C)c1ccccc1C 269982a_200000219698_200000210301 [0,1,0,0,0,0|2,0,0]=3 1406 B15R1.3722 CCOC(=O)CN(C)c1ccccc1C 34a_100000219699_100000188475 [0,1,0,0,0,0|2,0,0]=3 1407 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Cl 2230a_100000219374_100000188475 [0,1,0,0,0,0|2,0,0]=3 1408 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Cl 269982a_100000219374_100000188475 [0,1,0,0,0,0|2,0,0]=3 1409 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Cl 269982a_200000219373_200000210301 [0,1,0,0,0,0|2,0,0]=3 1410 B15R1.3722 CCOC(=O)CN(C)c1ccccc1Cl 34a_100000219374_100000188475 [0,1,0,0,0,0|2,0,0]=3 1411 B15R1.3722 CCOC(=O)CN(C)c1ccccc1F 2230a_100000220357_100000188475 [0,1,0,0,0,0|2,0,0]=3 1412 B15R1.3722 CCOC(=O)CN(C)c1ccccc1F 269982a_100000220356_200000210301 [0,1,0,0,0,0|2,0,0]=3 1413 B15R1.3722 CCOC(=O)CN(C)c1ccccc1F 269982a_100000220357_100000188475 [0,1,0,0,0,0|2,0,0]=3 1414 B15R1.3722 CCOC(=O)CN(C)c1ccccc1F 34a_100000220357_100000188475 [0,1,0,0,0,0|2,0,0]=3 1415 B15R1.3722 CCOC(=O)CN(C)c1ccccc1O 269982a_100000033821_100000188475 [0,1,0,0,0,0|2,0,0]=3 1416 B15R1.3722 CCOC(=O)CN(C)c1ccncc1Br 27a_100000220588_100000726257 [0,1,0,0,0,0|3,0,0]=4 1417 B15R1.3722 CCOC(=O)CN(C)c1ccncc1C 27a_100000220588_100000765111 [0,1,0,0,0,0|3,0,0]=4 1418 B15R1.3722 CCOC(=O)CN(C)c1ccncc1F 27a_100000220588_100000035921 [0,1,0,0,0,0|3,0,0]=4 1419 B15R1.3722 CCOC(=O)CN(C)c1ncccc1Br 27a_100000220588_100000696092 [0,1,0,0,0,0|3,0,0]=4 1420 B15R1.3722 CCOC(=O)CN([13CH3])c1ccccc1C 2230a_200000219698_200025704644 [0,1,0,0,0,0|2,0,0]=3 1421 B15R1.3722 CCOC(=O)CN([13CH3])c1ccccc1C 269982a_200000219698_200025704644 [0,1,0,0,0,0|2,0,0]=3 1422 B15R1.3722 CCOC(=O)CN([13CH3])c1ccccc1Cl 269982a_200000219373_200025704644 [0,1,0,0,0,0|2,0,0]=3 1423 B15R1.3722 CCOC(=O)CN([13CH3])c1ccccc1F 269982a_100000220356_200025704644 [0,1,0,0,0,0|2,0,0]=3 1424 B15R1.3722 CNCC(=O)NC(=O)c1ccccc1Br 2230a_106832991635_100000682895 [0,1,0,0,0,0|3,0,0]=4 1425 B15R1.3722 CNCC(=O)NC(=O)c1ccccc1Br 7a_106832991635_100000682895 [0,1,0,0,0,0|3,0,0]=4 1426 B15R1.3722 CNCC(=O)NC(=O)c1ccccc1Cl 2230a_106832991635_100000010421 [0,1,0,0,0,0|3,0,0]=4 1427 B15R1.3722 CNCC(=O)NC(=O)c1ccccc1Cl 7a_106832991635_100000010421 [0,1,0,0,0,0|3,0,0]=4 1428 B15R1.3722 COCC(=O)CC(=O)c1ccccc1Br 1458a_100000210968_100000199116 [0,1,0,0,0,0|2,0,0]=3 1429 B15R1.3722 COCC(=O)CC(=O)c1ccccc1C 1458a_100000210968_100000741374 [0,1,0,0,0,0|2,0,0]=3 1430 B15R1.3722 COCC(=O)CC(=O)c1ccccc1Cl 1458a_100000210968_100000211432 [0,1,0,0,0,0|2,0,0]=3 1431 B15R1.3722 COCC(=O)CC(=O)c1ccccc1F 1458a_100000210968_100000204681 [0,1,0,0,0,0|2,0,0]=3 1432 B15R1.3722 COCC(=O)CC(=O)c1ccccc1O 1458a_100000210968_100000188908 [0,1,0,0,0,0|2,0,0]=3 1433 B15R1.3722 CSCC(=O)CC(=O)c1ccccc1Br 1458a_100000184570_100000199116 [0,1,0,0,0,0|2,0,0]=3 1434 B15R1.3722 CSCC(=O)CC(=O)c1ccccc1C 1458a_100000184570_100000741374 [0,1,0,0,0,0|2,0,0]=3 1435 B15R1.3722 CSCC(=O)CC(=O)c1ccccc1Cl 1458a_100000184570_100000211432 [0,1,0,0,0,0|2,0,0]=3 1436 B15R1.3722 CSCC(=O)CC(=O)c1ccccc1F 1458a_100000184570_100000204681 [0,1,0,0,0,0|2,0,0]=3 1437 B15R1.3722 CSCC(=O)CC(=O)c1ccccc1O 1458a_100000184570_100000188908 [0,1,0,0,0,0|2,0,0]=3 1438 B15R1.3722 CSCC(=O)NC(=O)c1ccccc1Br 62a_100000682895_200000210301 [0,1,0,0,0,0|3,0,0]=4 1439 B15R1.3722 CSCC(=O)NC(=O)c1ccccc1Cl 62a_200000210301_100000010421 [0,1,0,0,0,0|3,0,0]=4 1440 B15R1.3722 Cc1ccccc1C(=O)CC(=O)C=CBr 1458a_100016273825_100000741374 [0,1,0,0,0,0|2,0,1]=4 1441 B15R1.3722 Cc1ccccc1C(=O)CC(=O)C=CCl 1458a_200016279998_100000741374 [0,1,0,0,0,0|2,0,1]=4 1442 B15R1.3722 Cc1ccccc1C(=O)CC(=O)C=CI 1458a_100016256311_100000741374 [0,1,0,0,0,0|2,0,1]=4 1443 B15R1.3722 Cc1ccccc1C(=O)CC(=O)CC#N 1458a_100051588842_100000741374 [0,1,0,0,0,0|2,0,1]=4 1444 B15R1.3722 Cc1ccccc1C(=O)CC(=O)CCO 1458a_100011216618_100000741374 [0,1,0,0,0,0|2,0,0]=3 1445 B15R1.3722 Cc1ccccc1C(=O)CC(=O)NCO 1458a_100000212026_100000185155 [0,1,0,0,0,0|2,0,0]=3 1446 B15R1.3722 N#CCC(=O)CC(=O)c1ccccc1Br 1458a_100051588842_100000199116 [0,1,0,0,0,0|2,0,1]=4 1447 B15R1.3722 N#CCC(=O)CC(=O)c1ccccc1Cl 1458a_100051588842_100000211432 [0,1,0,0,0,0|2,0,1]=4 1448 B15R1.3722 N#CCC(=O)CC(=O)c1ccccc1F 1458a_100051588842_100000204681 [0,1,0,0,0,0|2,0,1]=4 1449 B15R1.3722 N#CCC(=O)CC(=O)c1ccccc1O 1458a_100051588842_100000188908 [0,1,0,0,0,0|2,0,1]=4 1450 B15R1.3722 O=C(C=CBr)CC(=O)c1ccccc1Br 1458a_100016273825_100000199116 [0,1,0,0,0,0|2,0,1]=4 1451 B15R1.3722 O=C(C=CBr)CC(=O)c1ccccc1Cl 1458a_100016273825_100000211432 [0,1,0,0,0,0|2,0,1]=4 1452 B15R1.3722 O=C(C=CBr)CC(=O)c1ccccc1F 1458a_100016273825_100000204681 [0,1,0,0,0,0|2,0,1]=4 1453 B15R1.3722 O=C(C=CBr)CC(=O)c1ccccc1O 1458a_100016273825_100000188908 [0,1,0,0,0,0|2,0,1]=4 1454 B15R1.3722 O=C(C=CCl)CC(=O)c1ccccc1Br 1458a_200016279998_100000199116 [0,1,0,0,0,0|2,0,1]=4 1455 B15R1.3722 O=C(C=CCl)CC(=O)c1ccccc1Cl 1458a_200016279998_100000211432 [0,1,0,0,0,0|2,0,1]=4 1456 B15R1.3722 O=C(C=CCl)CC(=O)c1ccccc1F 1458a_200016279998_100000204681 [0,1,0,0,0,0|2,0,1]=4 1457 B15R1.3722 O=C(C=CCl)CC(=O)c1ccccc1O 1458a_200016279998_100000188908 [0,1,0,0,0,0|2,0,1]=4 1458 B15R1.3722 O=C(C=CI)CC(=O)c1ccccc1Br 1458a_100016256311_100000199116 [0,1,0,0,0,0|2,0,1]=4 1459 B15R1.3722 O=C(C=CI)CC(=O)c1ccccc1Cl 1458a_100016256311_100000211432 [0,1,0,0,0,0|2,0,1]=4 1460 B15R1.3722 O=C(C=CI)CC(=O)c1ccccc1F 1458a_100016256311_100000204681 [0,1,0,0,0,0|2,0,1]=4 1461 B15R1.3722 O=C(C=CI)CC(=O)c1ccccc1O 1458a_100016256311_100000188908 [0,1,0,0,0,0|2,0,1]=4 1462 B15R1.3722 O=C(CC(=O)c1ccccc1Br)NCO 1458a_100000188424_100000185155 [0,1,0,0,0,0|2,0,0]=3 1463 B15R1.3722 O=C(CC(=O)c1ccccc1Cl)NCO 1458a_100000185844_100000185155 [0,1,0,0,0,0|2,0,0]=3 1464 B15R1.3722 O=C(CC(=O)c1ccccc1F)NCO 1458a_100000188656_100000185155 [0,1,0,0,0,0|2,0,0]=3 1465 B15R1.3722 O=C(CC(=O)c1ccccc1I)NCO 1458a_100000187884_100000185155 [0,1,0,0,0,0|2,0,0]=3 1466 B15R1.3722 O=C(CC(=O)c1ccccc1O)NCO 1458a_100015234032_100000185155 [0,1,0,0,0,0|2,0,0]=3 1467 B15R1.3722 O=C(CC(=O)c1ccccc1[O-])NCO 1458a_100009911694_100000185155 [0,1,0,0,0,0|2,0,0]=3 1468 B15R1.3722 O=C(CCO)CC(=O)c1ccccc1Br 1458a_100011216618_100000199116 [0,1,0,0,0,0|2,0,0]=3 1469 B15R1.3722 O=C(CCO)CC(=O)c1ccccc1Cl 1458a_100011216618_100000211432 [0,1,0,0,0,0|2,0,0]=3 1470 B15R1.3722 O=C(CCO)CC(=O)c1ccccc1F 1458a_100011216618_100000204681 [0,1,0,0,0,0|2,0,0]=3 1471 B15R1.3722 O=C(CCO)CC(=O)c1ccccc1O 1458a_100011216618_100000188908 [0,1,0,0,0,0|2,0,0]=3 1472 B15R1.3722 [13CH3]SCC(=O)NC(=O)c1ccccc1Br 62a_100000682895_200025704644 [0,1,0,0,0,0|3,0,0]=4 1473 B15R1.3722 [13CH3]SCC(=O)NC(=O)c1ccccc1Cl 62a_200025704644_100000010421 [0,1,0,0,0,0|3,0,0]=4 1474 B15R1.9724 CCCS(=O)(=O)NC(=O)c1ccccc1 2740a_100000171175_100000185807 [0,1,0,0,0,0|3,0,0]=4 1475 B15R1.9724 CCO[Si](C)(C)CC(=O)c1ccccc1 1458a_100000185807_200000065227 [0,1,0,0,0,0|1,1,0]=3 1476 B13R0.39 C=CC=CC(=O)C(C)CC(=O)OCC 1458a_100016291481_100009817359 [0,0,1,0,0,0|2,0,1]=4 1477 B13R0.39 C=CC=CC(=O)N(C)CC(=O)OCC 1626a_100000220588_100016291481 [0,0,1,0,0,0|3,0,0]=4 1478 B15R2.66 CCOc1nc(cs1)c2ccccc2 271570a_100011218836_100011934640 [0,0,0,1,0,0|2,1,0]=4 1479 B15R2.395 CN(c1ccccc1)C2CCCC2=O 2230a_100000210012_100000211823 [0,0,0,1,0,0|3,0,0]=4 1480 B15R2.395 CN(c1ccccc1)C2CCCC2=O 269982a_100000210012_100000211823 [0,0,0,1,0,0|3,0,0]=4 1481 B15R2.395 CN(c1ccccc1)C2CCCC2=O 34a_100000210012_100000709159 [0,0,0,1,0,0|3,0,0]=4 1482 B15R2.395 CN(c1ccccc1)C2CCOC2=O 2230a_100000210012_100000211211 [0,0,0,1,0,0|2,0,0]=3 1483 B15R2.395 CN(c1ccccc1)C2CCOC2=O 269982a_100000210012_100000211211 [0,0,0,1,0,0|2,0,0]=3 1484 B15R2.395 CN(c1ccccc1)C2CCOC2=O 34a_100000210012_100000211211 [0,0,0,1,0,0|2,0,0]=3 1485 B15R2.395 O=C1CCCC1C(=O)c2ccccc2 1458a_100000185807_100000211823 [0,0,0,1,0,0|1,0,0]=2 1486 B15R2.395 O=C1OCCC1C(=O)c2ccccc2 1458a_100000185807_100000211211 [0,0,0,1,0,0|0,0,0]=1 1487 B15R2.612 CC1CN(C1)CC(=O)c2ccccc2 269982a_100000702820_100000211460 [0,0,0,1,0,0|3,0,0]=4 1488 B15R2.886 CCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210202 [0,0,0,1,0,0|2,0,1]=4 1489 B15R2.886 CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210202 [0,0,0,1,0,0|2,0,1]=4 1490 B15R2.886 CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210202 [0,0,0,1,0,0|2,0,1]=4 1491 B15R2.886 CCSc1cc(=O)c2ccccc2[nH]1 62a_100000210202_100000090176 [0,0,0,1,0,0|1,1,1]=4 1492 B15R2.886 CCSc1cc2ccccc2c(=O)[nH]1 62a_100000210202_200015811170 [0,0,0,1,0,0|2,1,0]=4 1493 B15R2.1259 O=C(CC1CCCC1)c2ccccc2 1458a_100000185807_100000740388 [0,0,0,1,0,0|2,0,1]=4 1494 B15R2.1259 O=C(CC1CCCO1)c2ccccc2 1458a_100000185807_100000203698 [0,0,0,1,0,0|1,0,1]=3 1495 B15R2.1259 O=C(CC1OCCO1)c2ccccc2 1458a_100000185807_100000755774 [0,0,0,1,0,0|0,0,2]=3 1496 B15R2.1259 O=C(CN1CCCC1)c2ccccc2 269982a_100000188435_100000211460 [0,0,0,1,0,0|3,0,0]=4 1497 B15R2.1259 O=C(Cc1ncco1)c2ccccc2 1458a_100000185807_103436540062 [0,0,0,1,0,0|1,0,2]=4 1498 B15R2.1342 CCCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210303 [0,0,0,1,0,0|2,0,1]=4 1499 B15R2.1342 CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 11a_100015525214_100009815801 [0,0,0,1,0,0|2,0,1]=4 1500 B15R2.1342 CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 240690a_100015525214_100009815801 [0,0,0,1,0,0|2,0,1]=4 1501 B15R2.1342 CCNC(=O)[C@@H]1C[C@H]1c2ccccc2 527a_100015525214_100009815801 [0,0,0,1,0,0|2,0,1]=4 1502 B15R2.1342 CCOC(=O)C1CC1c2ccccc2 271570a_100010780539_100000210277 [0,0,0,1,0,0|1,0,1]=3 1503 B15R2.1342 CCOC(=O)C1CC1c2ccccn2 271570a_100010780539_100011216584 [0,0,0,1,0,0|2,0,1]=4 1504 B15R2.1342 CCOC(=O)C1CC1c2cccnc2 271570a_100010780539_100000752921 [0,0,0,1,0,0|2,0,1]=4 1505 B15R2.1342 CCOC(=O)C1CC1c2ccncc2 271570a_100010780539_100000035832 [0,0,0,1,0,0|2,0,1]=4 1506 B15R2.2248 CCn1nc([nH]c1=O)c2ccccc2 271570a_100011218836_100009830087 [0,0,0,1,0,0|3,0,0]=4 1507 B15R2.16456 CC1(CCC1)CC(=O)c2ccccc2 1458a_100000185807_100000726658 [0,0,0,1,0,0|2,0,1]=4 1508 B15R2.41154 CC(CC(=O)C1CC1)c2ccccc2 1458a_100000210395_100000756946 [0,0,0,1,0,0|2,0,1]=4 1509 B15R2.41154 CN(CC(=O)C1CC1)c2ccccc2 2230a_100000210012_100000746382 [0,0,0,1,0,0|3,0,0]=4 1510 B15R2.41154 CN(CC(=O)C1CC1)c2ccccc2 269982a_100000210012_100000746382 [0,0,0,1,0,0|3,0,0]=4 1511 B15R2.41154 CN(CC(=O)C1CC1)c2ccccc2 34a_100000210012_100000746382 [0,0,0,1,0,0|3,0,0]=4 1512 B15R2.41154 CN(CC(=O)c1ccccc1)C2CC2 269982a_100000226674_100000211460 [0,0,0,1,0,0|3,0,0]=4 1513 B15R2.41154 O=C(CC(=O)C1CC1)c2ccccc2 1458a_100000185807_100000746382 [0,0,0,1,0,0|1,0,0]=2 1514 B15R2.41154 O=C(CC(=O)C1CC1)c2ccccc2 1458a_100000210395_100000211460 [0,0,0,1,0,0|1,0,0]=2 1515 B15R2.41154 O=C(CC(=O)C1CC1)c2ccccn2 1458a_100000210395_100000027445 [0,0,0,1,0,0|2,0,0]=3 1516 B15R2.41154 O=C(CC(=O)C1CC1)c2cccnc2 1458a_100000210395_100015188593 [0,0,0,1,0,0|2,0,0]=3 1517 B15R2.41154 O=C(CC(=O)C1CC1)c2ccncc2 1458a_100000210395_100000027454 [0,0,0,1,0,0|2,0,0]=3 1518 B15R2.41154 O=C(CC(=O)C1CC1)c2ncccn2 1458a_100000210395_100020636365 [0,0,0,1,0,0|3,0,0]=4 1519 B15R2.41154 O=C(CC(=O)C1CO1)c2ccccc2 1458a_100000701028_100000211460 [0,0,0,1,0,0|2,0,0]=3 1520 B15R2.41154 O=C(CC(=O)C1CO1)c2ccccn2 1458a_100000701028_100000027445 [0,0,0,1,0,0|3,0,0]=4 1521 B15R2.41154 O=C(CC(=O)C1CO1)c2cccnc2 1458a_100000701028_100015188593 [0,0,0,1,0,0|3,0,0]=4 1522 B15R2.41154 O=C(CC(=O)C1CO1)c2ccncc2 1458a_100000701028_100000027454 [0,0,0,1,0,0|3,0,0]=4 1523 B15R2.41154 O=C(CC(O)c1ccccc1)C2CC2 1458a_100000210395_100000185958 [0,0,0,1,0,0|1,0,2]=4 1524 B15R2.41154 O=C(C[C@@H](O)c1ccccc1)C2CC2 1458a_100000210395_100011933945 [0,0,0,1,0,0|1,0,2]=4 1525 B13R1.33 CC#CC(=O)CC(=O)c1ccc[nH]1 1458a_100000763181_200011262396 [0,0,0,0,1,0|2,0,1]=4 1526 B13R1.33 CC#CC(=O)CC(=O)c1ccco1 1458a_100000763181_100000211439 [0,0,0,0,1,0|2,0,1]=4 1527 B13R1.33 CC#CC(=O)CC(=O)c1cccs1 1458a_100000763181_100000211436 [0,0,0,0,1,0|2,0,1]=4 1528 B13R1.33 CC#CC(=O)CC(=O)c1ccsc1 1458a_100000763181_100011219462 [0,0,0,0,1,0|2,0,1]=4 1529 B13R1.33 CC=CC(=O)CC(=O)c1ccc[nH]1 1458a_100000210699_200011262396 [0,0,0,0,1,0|2,0,1]=4 1530 B13R1.33 CC=CC(=O)CC(=O)c1ccco1 1458a_100000210699_100000211439 [0,0,0,0,1,0|2,0,1]=4 1531 B13R1.33 CC=CC(=O)CC(=O)c1cccs1 1458a_100000210699_100000211436 [0,0,0,0,1,0|2,0,1]=4 1532 B13R1.33 CC=CC(=O)CC(=O)c1ccsc1 1458a_100000210699_100011219462 [0,0,0,0,1,0|2,0,1]=4 1533 B13R1.33 CCCC(=O)CC(=O)c1ccc[nH]1 1458a_100000211992_200011262396 [0,0,0,0,1,0|2,0,0]=3 1534 B13R1.33 CCCC(=O)CC(=O)c1ccco1 1458a_100000211992_100000211439 [0,0,0,0,1,0|2,0,0]=3 1535 B13R1.33 CCCC(=O)CC(=O)c1cccs1 1458a_100000211992_100000211436 [0,0,0,0,1,0|2,0,0]=3 1536 B13R1.33 CCCC(=O)CC(=O)c1ccsc1 1458a_100000211992_100011219462 [0,0,0,0,1,0|2,0,0]=3 1537 B13R1.33 CCCC(=O)CC(=O)c1nccs1 1458a_100000211992_100000718653 [0,0,0,0,1,0|3,0,0]=4 1538 B13R1.33 CCCC(=O)CC(=O)n1cccn1 1458a_100000211992_100000077511 [0,0,0,0,1,0|3,0,0]=4 1539 B13R1.33 CCOC(=O)/C=C(\C)/c1ccco1 271570a_100050291487_100009814098 [0,0,0,0,1,0|2,0,1]=4 1540 B13R1.33 CCOC(=O)/C=C(\C)/c1cccs1 271570a_100050291487_100011215356 [0,0,0,0,1,0|2,0,1]=4 1541 B13R1.33 CCOC(=O)/C=C(\C)/c1ccoc1 271570a_100050291487_100011215275 [0,0,0,0,1,0|2,0,1]=4 1542 B13R1.33 CCOC(=O)/C=C(\C)/c1ccsc1 271570a_100050291487_100000738268 [0,0,0,0,1,0|2,0,1]=4 1543 B13R1.33 CCOC(=O)CC(=O)C1=CCCC1 1458a_100000038896_100000188475 [0,0,0,0,1,0|0,0,3]=4 1544 B13R1.33 CCOC(=O)CC(=O)C1=CCOC1 1458a_100000139269_100000188475 [0,0,0,0,1,0|1,0,2]=4 1545 B13R1.33 CCOC(=O)CC(=O)C1=COCC1 1458a_100000750620_100000188475 [0,0,0,0,1,0|1,0,2]=4 1546 B13R1.33 CCOC(=O)CC(=O)C1CC=CC1 1458a_100000759439_100000188475 [0,0,0,0,1,0|0,0,3]=4 1547 B13R1.33 CCOC(=O)CC(=O)N1CC=CC1 240690a_100015195280_100000243816 [0,0,0,0,1,0|1,0,2]=4 1548 B13R1.33 COCC(=O)CC(=O)c1ccc[nH]1 1458a_100000210968_200011262396 [0,0,0,0,1,0|3,0,0]=4 1549 B13R1.33 COCC(=O)CC(=O)c1ccco1 1458a_100000210968_100000211439 [0,0,0,0,1,0|3,0,0]=4 1550 B13R1.33 COCC(=O)CC(=O)c1cccs1 1458a_100000210968_100000211436 [0,0,0,0,1,0|3,0,0]=4 1551 B13R1.33 COCC(=O)CC(=O)c1ccsc1 1458a_100000210968_100011219462 [0,0,0,0,1,0|3,0,0]=4 1552 B13R1.33 CSCC(=O)CC(=O)c1ccc[nH]1 1458a_100000184570_200011262396 [0,0,0,0,1,0|3,0,0]=4 1553 B13R1.33 CSCC(=O)CC(=O)c1ccco1 1458a_100000184570_100000211439 [0,0,0,0,1,0|3,0,0]=4 1554 B13R1.33 CSCC(=O)CC(=O)c1cccs1 1458a_100000184570_100000211436 [0,0,0,0,1,0|3,0,0]=4 1555 B13R1.33 CSCC(=O)CC(=O)c1ccsc1 1458a_100000184570_100011219462 [0,0,0,0,1,0|3,0,0]=4 1556 B13R1.33 O=C(CCO)CC(=O)c1ccc[nH]1 1458a_100011216618_200011262396 [0,0,0,0,1,0|3,0,0]=4 1557 B13R1.33 O=C(CCO)CC(=O)c1ccco1 1458a_100011216618_100000211439 [0,0,0,0,1,0|3,0,0]=4 1558 B13R1.33 O=C(CCO)CC(=O)c1cccs1 1458a_100011216618_100000211436 [0,0,0,0,1,0|3,0,0]=4 1559 B13R1.33 O=C(CCO)CC(=O)c1ccsc1 1458a_100011216618_100011219462 [0,0,0,0,1,0|3,0,0]=4 1560 B13R1.47 C=C(C(=O)CCC)c1ccccc1 1458a_100000065200_100000210303 [0,0,0,0,1,0|2,0,0]=3 1561 B13R1.47 C=C(C(=O)CCF)c1ccccc1 1458a_100000065200_100011217306 [0,0,0,0,1,0|3,0,0]=4 1562 B13R1.47 C=C(C(=O)CCO)c1ccccc1 1458a_100000065200_100000211926 [0,0,0,0,1,0|3,0,0]=4 1563 B13R1.47 C=C(C(=O)NNC)c1ccccc1 22a_100016993582_100000065200 [0,0,0,0,1,0|3,0,0]=4 1564 B13R1.47 CCCC(=O)C(C)c1ccccc1 1458a_100000211992_100000230085 [0,0,0,0,1,0|2,0,1]=4 1565 B13R1.47 CCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210303 [0,0,0,0,1,0|2,0,1]=4 1566 B13R1.47 CCCC(=O)N(C)c1ccccc1 11a_100000210012_100000211992 [0,0,0,0,1,0|3,0,0]=4 1567 B13R1.47 CCCC(=O)N(C)c1ccccc1 1626a_100000210012_100000211992 [0,0,0,0,1,0|3,0,0]=4 1568 B13R1.47 CCCC(=O)N(C)c1ccccc1 22a_100000210012_100000211992 [0,0,0,0,1,0|3,0,0]=4 1569 B13R1.47 CCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210303 [0,0,0,0,1,0|2,0,1]=4 1570 B13R1.47 CCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210303 [0,0,0,0,1,0|1,0,2]=4 1571 B13R1.47 CCCC(C)C(=O)c1ccccc1 1458a_100000185807_100000766640 [0,0,0,0,1,0|2,0,1]=4 1572 B13R1.47 CCCN(C)C(=O)c1ccccc1 11a_100000747261_100000185807 [0,0,0,0,1,0|3,0,0]=4 1573 B13R1.47 CCCN(C)C(=O)c1ccccc1 1626a_100000747261_100000185807 [0,0,0,0,1,0|3,0,0]=4 1574 B13R1.47 CCCN(C)C(=O)c1ccccc1 240690a_100000747261_100000185807 [0,0,0,0,1,0|3,0,0]=4 1575 B13R1.47 CCCN(C)C(=O)c1ccccc1 527a_100000747261_100000185807 [0,0,0,0,1,0|3,0,0]=4 1576 B13R1.47 CCNC(=O)C(F)c1ccccc1 11a_100015525214_100000698975 [0,0,0,0,1,0|2,0,1]=4 1577 B13R1.47 CCNC(=O)C(F)c1ccccc1 240690a_100015525214_100000698975 [0,0,0,0,1,0|2,0,1]=4 1578 B13R1.47 CCNC(=O)C(F)c1ccccc1 527a_100015525214_100000698975 [0,0,0,0,1,0|2,0,1]=4 1579 B13R1.47 CCNC(=O)N(C)c1ccccc1 512a_100015525214_100000210012 [0,0,0,0,1,0|3,0,0]=4 1580 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 11a_100015525214_100000751047 [0,0,0,0,1,0|2,0,1]=4 1581 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 240690a_100015525214_100000751047 [0,0,0,0,1,0|2,0,1]=4 1582 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 527a_100015525214_100000751047 [0,0,0,0,1,0|2,0,1]=4 1583 B13R1.47 CCNC(=O)[C@H](O)c1ccccc1 240690a_100015525214_100000684486 [0,0,0,0,1,0|1,0,2]=4 1584 B13R1.47 CCNC(C)C(=O)c1ccccc1 2230a_100015525214_100000239700 [0,0,0,0,1,0|2,0,1]=4 1585 B13R1.47 CCSC(C)C(=O)c1ccccc1 62a_100000210202_100000239700 [0,0,0,0,1,0|1,1,1]=4 1586 B13R1.47 CCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210202 [0,0,0,0,1,0|1,1,1]=4 1587 B15R1.89 C#CCC(=O)CCC(=O)c1ccccc1 1458a_100011220946_100000750707 [0,0,0,0,0,1|1,0,2]=4 1588 B15R1.89 C#CCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000184674 [0,0,0,0,0,1|1,0,2]=4 1589 B15R1.89 C#CCC(=O)COC(=O)c1ccccc1 1458a_100011220946_100000073877 [0,0,0,0,0,1|1,0,2]=4 1590 B15R1.89 C=CCC(=O)CCC(=O)c1ccccc1 1458a_100000210193_100000750707 [0,0,0,0,0,1|1,0,2]=4 1591 B15R1.89 C=CCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210623 [0,0,0,0,0,1|1,0,2]=4 1592 B15R1.89 C=CCC(=O)COC(=O)c1ccccc1 1458a_100000210193_100000073877 [0,0,0,0,0,1|1,0,2]=4 1593 B15R1.89 CC#CC(=O)CCC(=O)c1ccccc1 1458a_100000763181_100000750707 [0,0,0,0,0,1|1,0,1]=3 1594 B15R1.89 CC#CC(=O)COC(=O)c1ccccc1 1458a_100000763181_100000073877 [0,0,0,0,0,1|1,0,1]=3 1595 B15R1.89 CC#CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000763181 [0,0,0,0,0,1|2,0,1]=4 1596 B15R1.89 CC(CCC(=O)c1ccccc1)OCF 7a_200012571355_100015361967 [0,0,0,0,0,1|2,0,1]=4 1597 B15R1.89 CC=CC(=O)CCC(=O)c1ccccc1 1458a_100000210699_100000750707 [0,0,0,0,0,1|1,0,1]=3 1598 B15R1.89 CC=CC(=O)COC(=O)c1ccccc1 1458a_100000210699_100000073877 [0,0,0,0,0,1|1,0,1]=3 1599 B15R1.89 CC=CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000210699 [0,0,0,0,0,1|2,0,1]=4 1600 B15R1.89 CCCC(=NNC(=O)c1ccccc1)C 4a_100000184135_100000211909 [0,0,0,0,0,1|3,0,0]=4 1601 B15R1.89 CCCC(=O)CCC(=O)c1ccccc1 1458a_100000211992_100000750707 [0,0,0,0,0,1|1,0,0]=2 1602 B15R1.89 CCCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000211992_100000729684 [0,0,0,0,0,1|1,0,2]=4 1603 B15R1.89 CCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210303 [0,0,0,0,0,1|1,0,0]=2 1604 B15R1.89 CCCC(=O)CNC(=O)c1cccnc1 1458a_100000688122_100000210303 [0,0,0,0,0,1|2,0,0]=3 1605 B15R1.89 CCCC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000747444 [0,0,0,0,0,1|2,0,1]=4 1606 B15R1.89 CCCC(=O)COC(=O)c1ccccc1 1458a_100000211992_100000073877 [0,0,0,0,0,1|1,0,0]=2 1607 B15R1.89 CCCC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000747444 [0,0,0,0,0,1|2,0,1]=4 1608 B15R1.89 CCCC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000210303 [0,0,0,0,0,1|1,1,0]=3 1609 B15R1.89 CCCC(=O)CSC(C)c1ccccc1 62a_100000230085_100000747444 [0,0,0,0,0,1|2,0,1]=4 1610 B15R1.89 CCCC(=O)CSC(C)c1ccccc1 62a_100000747444_100000230085 [0,0,0,0,0,1|2,0,1]=4 1611 B15R1.89 CCCC(=O)NCC(C)c1ccccc1 11a_100000701038_100000211992 [0,0,0,0,0,1|2,0,1]=4 1612 B15R1.89 CCCC(=O)NCC(C)c1ccccc1 1626a_100000701038_100000211992 [0,0,0,0,0,1|2,0,1]=4 1613 B15R1.89 CCCC(=O)NCC(C)c1ccccc1 240690a_100000701038_100000211992 [0,0,0,0,0,1|2,0,1]=4 1614 B15R1.89 CCCC(=O)NCC(C)c1ccccc1 527a_100000701038_100000211992 [0,0,0,0,0,1|2,0,1]=4 1615 B15R1.89 CCCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000211992 [0,0,0,0,0,1|1,0,2]=4 1616 B15R1.89 CCCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000211992 [0,0,0,0,0,1|1,0,2]=4 1617 B15R1.89 CCCC(=O)NN=C(C)c1ccccc1 4a_100000189770_100000185851 [0,0,0,0,0,1|3,0,0]=4 1618 B15R1.89 CCCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000211992 [0,0,0,0,0,1|2,0,0]=3 1619 B15R1.89 CCCC(=O)NNC(=O)c1ccccc1 22a_100000189770_100000185807 [0,0,0,0,0,1|2,0,0]=3 1620 B15R1.89 CCCC(=O)NNC(=O)c1ccccn1 22a_100000184044_100000211992 [0,0,0,0,0,1|3,0,0]=4 1621 B15R1.89 CCCC(=O)NNC(=O)c1cccnc1 22a_100000189771_100000211992 [0,0,0,0,0,1|3,0,0]=4 1622 B15R1.89 CCCC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000211992 [0,0,0,0,0,1|3,0,0]=4 1623 B15R1.89 CCCC(=O)OCC(=O)c1ccccc1 1458a_100000185807_100000034017 [0,0,0,0,0,1|1,0,0]=2 1624 B15R1.89 CCCC(=O)OCN(C)c1ccccc1 2230a_100000210012_100000034017 [0,0,0,0,0,1|3,0,0]=4 1625 B15R1.89 CCCC(=O)OCN(C)c1ccccc1 269982a_100000210012_100000034017 [0,0,0,0,0,1|3,0,0]=4 1626 B15R1.89 CCCC(=O)OCN(C)c1ccccc1 34a_100000210012_100000034017 [0,0,0,0,0,1|3,0,0]=4 1627 B15R1.89 CCCC(C)OCC(=O)c1ccccc1 7a_100000764384_100000211460 [0,0,0,0,0,1|2,0,1]=4 1628 B15R1.89 CCCC(C)SCC(=O)c1ccccc1 62a_100000211460_100000766640 [0,0,0,0,0,1|2,0,1]=4 1629 B15R1.89 CCCC(C)SCC(=O)c1ccccc1 62a_100000766640_100000211460 [0,0,0,0,0,1|2,0,1]=4 1630 B15R1.89 CCCN(C)CCC(=O)c1ccccc1 2230a_100000747261_100000750707 [0,0,0,0,0,1|3,0,0]=4 1631 B15R1.89 CCCN(C)CCC(=O)c1ccccc1 269982a_100000747261_100000750707 [0,0,0,0,0,1|3,0,0]=4 1632 B15R1.89 CCCN(C)COC(=O)c1ccccc1 269982a_100000747261_100000073877 [0,0,0,0,0,1|3,0,0]=4 1633 B15R1.89 CCNC(=O)CCN(C)c1ccccc1 2230a_100000210012_100000737597 [0,0,0,0,0,1|3,0,0]=4 1634 B15R1.89 CCNC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000737597 [0,0,0,0,0,1|3,0,0]=4 1635 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 11a_100015525214_100000182045 [0,0,0,0,0,1|1,0,0]=2 1636 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 11a_100016988866_100000185807 [0,0,0,0,0,1|1,0,0]=2 1637 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 1626a_100016988866_100000185807 [0,0,0,0,0,1|1,0,0]=2 1638 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 240690a_100015525214_100000182045 [0,0,0,0,0,1|1,0,0]=2 1639 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 240690a_100016988866_100000185807 [0,0,0,0,0,1|1,0,0]=2 1640 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 527a_100015525214_100000182045 [0,0,0,0,0,1|1,0,0]=2 1641 B15R1.89 CCNC(=O)CNC(=O)c1ccccc1 527a_100016988866_100000185807 [0,0,0,0,0,1|1,0,0]=2 1642 B15R1.89 CCNC(=O)CNC(=O)c1cccnc1 11a_100015525214_100000688122 [0,0,0,0,0,1|2,0,0]=3 1643 B15R1.89 CCNC(=O)CNC(=O)c1cccnc1 240690a_100015525214_100000688122 [0,0,0,0,0,1|2,0,0]=3 1644 B15R1.89 CCNC(=O)CNC(=O)c1cccnc1 527a_100015525214_100000688122 [0,0,0,0,0,1|2,0,0]=3 1645 B15R1.89 CCNC(=O)CNC(C)c1ccccc1 2230a_100016988866_100000230085 [0,0,0,0,0,1|2,0,1]=4 1646 B15R1.89 CCNC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000183381 [0,0,0,0,0,1|2,0,1]=4 1647 B15R1.89 CCNC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000183381 [0,0,0,0,0,1|2,0,1]=4 1648 B15R1.89 CCNC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000183381 [0,0,0,0,0,1|2,0,1]=4 1649 B15R1.89 CCNC(=O)CSC(=S)c1ccccc1 240690a_100015525214_100000043459 [0,0,0,0,0,1|1,1,0]=3 1650 B15R1.89 CCNC(=O)CSC(=S)c1ccccc1 527a_100015525214_100000043459 [0,0,0,0,0,1|1,1,0]=3 1651 B15R1.89 CCNC(=O)CSC(C)c1ccccc1 62a_100000183381_100000230085 [0,0,0,0,0,1|2,0,1]=4 1652 B15R1.89 CCNC(=O)CSC(C)c1ccccc1 62a_100000230085_100000183381 [0,0,0,0,0,1|2,0,1]=4 1653 B15R1.89 CCNC(=O)NCC(C)c1ccccc1 2708a_100000701038_100015525214 [0,0,0,0,0,1|2,0,1]=4 1654 B15R1.89 CCNC(=O)NCC(C)c1ccccc1 2708a_100015525214_100000701038 [0,0,0,0,0,1|2,0,1]=4 1655 B15R1.89 CCNC(=O)NCC(C)c1ccccc1 273464a_100000701038_100015525214 [0,0,0,0,0,1|2,0,1]=4 1656 B15R1.89 CCNC(=O)NCC(C)c1ccccc1 273464a_100015525214_100000701038 [0,0,0,0,0,1|2,0,1]=4 1657 B15R1.89 CCNC(=O)NCC(C)c1ccccc1 512a_100015525214_100000701038 [0,0,0,0,0,1|2,0,1]=4 1658 B15R1.89 CCNC(=O)NCC(O)c1ccccc1 2708a_100015525214_100000210709 [0,0,0,0,0,1|1,0,2]=4 1659 B15R1.89 CCNC(=O)NCC(O)c1ccccc1 273464a_100000210709_100015525214 [0,0,0,0,0,1|1,0,2]=4 1660 B15R1.89 CCNC(=O)NCC(O)c1ccccc1 273464a_100015525214_100000210709 [0,0,0,0,0,1|1,0,2]=4 1661 B15R1.89 CCNC(=O)NCC(O)c1ccccc1 512a_100015525214_100000210709 [0,0,0,0,0,1|1,0,2]=4 1662 B15R1.89 CCNC(=O)NNC(=O)c1ccccc1 273464a_100015525214_100000184135 [0,0,0,0,0,1|2,0,0]=3 1663 B15R1.89 CCNC(=O)NNC(=O)c1ccccc1 512a_100000184135_100015525214 [0,0,0,0,0,1|2,0,0]=3 1664 B15R1.89 CCNC(=O)NNC(=O)c1ccccn1 273464a_100015525214_100000184044 [0,0,0,0,0,1|3,0,0]=4 1665 B15R1.89 CCNC(=O)NNC(=O)c1cccnc1 273464a_100015525214_100000189771 [0,0,0,0,0,1|3,0,0]=4 1666 B15R1.89 CCNC(=O)NNC(=O)c1cccnc1 512a_100015525214_100000189771 [0,0,0,0,0,1|3,0,0]=4 1667 B15R1.89 CCNC(=O)NNC(=O)c1ccncc1 273464a_100015525214_100000189768 [0,0,0,0,0,1|3,0,0]=4 1668 B15R1.89 CCNC(=O)NNC(=O)c1ccncc1 512a_100015525214_100000189768 [0,0,0,0,0,1|3,0,0]=4 1669 B15R1.89 CCNC(C)COC(=O)c1ccccc1 270004a_100015525214_100000000904 [0,0,0,0,0,1|2,0,1]=4 1670 B15R1.89 CCOC(=O)CCN(C)c1ccccc1 2230a_100000210012_100011206558 [0,0,0,0,0,1|2,0,0]=3 1671 B15R1.89 CCOC(=O)CCN(C)c1ccccc1 269982a_100000210012_100011206558 [0,0,0,0,0,1|2,0,0]=3 1672 B15R1.89 CCOC(=O)CCN(C)c1ccccc1 269982a_200011277725_200000210301 [0,0,0,0,0,1|2,0,0]=3 1673 B15R1.89 CCOC(=O)CCN(C)c1ccccc1 34a_100000210012_100000765890 [0,0,0,0,0,1|2,0,0]=3 1674 B15R1.89 CCOC(=O)CCN([13CH3])c1ccccc1 269982a_200011277725_200025704644 [0,0,0,0,0,1|2,0,0]=3 1675 B15R1.89 CCOC(=O)CNC(=O)c1ccccc1 188690a_100000741813_100000185807 [0,0,0,0,0,1|0,0,0]=1 1676 B15R1.89 CCOC(=O)CNC(C)c1ccccn1 2230a_100000181244_100000188475 [0,0,0,0,0,1|2,0,1]=4 1677 B15R1.89 CCOC(=O)CNC(C)c1cccnc1 2230a_100000195435_100000188475 [0,0,0,0,0,1|2,0,1]=4 1678 B15R1.89 CCOC(=O)CNC(C)c1ccncc1 2230a_100000181269_100000188475 [0,0,0,0,0,1|2,0,1]=4 1679 B15R1.89 CCOC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100000188475 [0,0,0,0,0,1|1,0,1]=3 1680 B15R1.89 CCOC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100000188475 [0,0,0,0,0,1|1,0,1]=3 1681 B15R1.89 CCOC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100000188475 [0,0,0,0,0,1|1,0,1]=3 1682 B15R1.89 CCOC(=O)CSC(C)c1ccccc1 62a_100000188475_100000230085 [0,0,0,0,0,1|1,0,1]=3 1683 B15R1.89 CCOC(=O)CSC(C)c1ccccc1 62a_100000230085_100000188475 [0,0,0,0,0,1|1,0,1]=3 1684 B15R1.89 CCOC(C)CCC(=O)c1ccccc1 7a_200012571355_100000210202 [0,0,0,0,0,1|1,0,1]=3 1685 B15R1.89 CNCC(=O)NNC(=O)c1ccccc1 2230a_106832991635_100000010089 [0,0,0,0,0,1|3,0,0]=4 1686 B15R1.89 CNCC(=O)NNC(=O)c1ccccc1 7a_106832991635_100000010089 [0,0,0,0,0,1|3,0,0]=4 1687 B15R1.89 CNNC(=O)CNC(=O)c1ccccc1 22a_100016993582_100000182045 [0,0,0,0,0,1|2,0,0]=3 1688 B15R1.89 CNNC(=O)CNC(=O)c1cccnc1 22a_100016993582_100000688122 [0,0,0,0,0,1|3,0,0]=4 1689 B15R1.89 CNNC(=O)NNC(=O)c1ccccc1 512a_100000184135_100016993582 [0,0,0,0,0,1|3,0,0]=4 1690 B15R1.89 COCC(=O)CCC(=O)c1ccccc1 1458a_100000210968_100000750707 [0,0,0,0,0,1|2,0,0]=3 1691 B15R1.89 COCC(=O)COC(=O)c1ccccc1 1458a_100000210968_100000073877 [0,0,0,0,0,1|2,0,0]=3 1692 B15R1.89 COCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000210968 [0,0,0,0,0,1|3,0,0]=4 1693 B15R1.89 COCC(=O)NNC(=O)c1ccccc1 22a_100000216845_100000185807 [0,0,0,0,0,1|3,0,0]=4 1694 B15R1.89 CSCC(=O)CCC(=O)c1ccccc1 1458a_100000184570_100000750707 [0,0,0,0,0,1|2,0,0]=3 1695 B15R1.89 CSCC(=O)COC(=O)c1ccccc1 1458a_100000184570_100000073877 [0,0,0,0,0,1|2,0,0]=3 1696 B15R1.89 CSCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000184570 [0,0,0,0,0,1|3,0,0]=4 1697 B15R1.89 CSCC(=O)NNC(=O)c1ccccc1 62a_100000010089_200000210301 [0,0,0,0,0,1|3,0,0]=4 1698 B15R1.89 CSCC(=O)NNC(=O)c1ccccc1 62a_200000210301_100000010089 [0,0,0,0,0,1|3,0,0]=4 1699 B15R1.89 N#CCC(=O)CCC(=O)c1ccccc1 1458a_100051588842_100000750707 [0,0,0,0,0,1|2,0,1]=4 1700 B15R1.89 N#CCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100011214920 [0,0,0,0,0,1|2,0,1]=4 1701 B15R1.89 N#CCC(=O)COC(=O)c1ccccc1 1458a_100051588842_100000073877 [0,0,0,0,0,1|2,0,1]=4 1702 B15R1.89 O=C(C=CBr)CCC(=O)c1ccccc1 1458a_100016273825_100000750707 [0,0,0,0,0,1|2,0,1]=4 1703 B15R1.89 O=C(C=CBr)COC(=O)c1ccccc1 1458a_100016273825_100000073877 [0,0,0,0,0,1|2,0,1]=4 1704 B15R1.89 O=C(C=CCl)CCC(=O)c1ccccc1 1458a_200016279998_100000750707 [0,0,0,0,0,1|2,0,1]=4 1705 B15R1.89 O=C(C=CCl)COC(=O)c1ccccc1 1458a_200016279998_100000073877 [0,0,0,0,0,1|2,0,1]=4 1706 B15R1.89 O=C(C=CI)CCC(=O)c1ccccc1 1458a_100016256311_100000750707 [0,0,0,0,0,1|2,0,1]=4 1707 B15R1.89 O=C(C=CI)COC(=O)c1ccccc1 1458a_100016256311_100000073877 [0,0,0,0,0,1|2,0,1]=4 1708 B15R1.89 O=C(CCF)CNC(=O)c1ccccc1 1458a_100000182045_100011217306 [0,0,0,0,0,1|2,0,0]=3 1709 B15R1.89 O=C(CCF)CNC(=O)c1cccnc1 1458a_100000688122_100011217306 [0,0,0,0,0,1|3,0,0]=4 1710 B15R1.89 O=C(CCF)CSC(=S)c1ccccc1 1458a_100000043459_100011217306 [0,0,0,0,0,1|2,1,0]=4 1711 B15R1.89 O=C(CCO)CCC(=O)c1ccccc1 1458a_100011216618_100000750707 [0,0,0,0,0,1|2,0,0]=3 1712 B15R1.89 O=C(CCO)CNC(=O)c1ccccc1 1458a_100000182045_100000211926 [0,0,0,0,0,1|2,0,0]=3 1713 B15R1.89 O=C(CCO)CNC(=O)c1cccnc1 1458a_100000688122_100000211926 [0,0,0,0,0,1|3,0,0]=4 1714 B15R1.89 O=C(CCO)COC(=O)c1ccccc1 1458a_100011216618_100000073877 [0,0,0,0,0,1|2,0,0]=3 1715 B15R1.89 O=C(CCO)CSC(=S)c1ccccc1 1458a_100000043459_100000211926 [0,0,0,0,0,1|2,1,0]=4 1716 B15R1.89 O=C(CCO)NNC(=O)c1ccccc1 22a_100000184135_100011216618 [0,0,0,0,0,1|3,0,0]=4 1717 B15R1.89 [13CH3]SCC(=O)NNC(=O)c1ccccc1 62a_100000010089_200025704644 [0,0,0,0,0,1|3,0,0]=4 1718 B15R1.89 [13CH3]SCC(=O)NNC(=O)c1ccccc1 62a_200025704644_100000010089 [0,0,0,0,0,1|3,0,0]=4 1719 B15R1.809 C#CCC(=O)CC(=O)Cc1ccccc1 1458a_100011220946_100000233483 [0,0,0,0,0,1|1,0,2]=4 1720 B15R1.809 C#CCC(=O)CC(=O)Nc1ccccc1 1458a_100011220946_100000182850 [0,0,0,0,0,1|1,0,2]=4 1721 B15R1.809 C#CCC(=O)CC(=O)Oc1ccccc1 1458a_100011220946_100009813826 [0,0,0,0,0,1|1,0,2]=4 1722 B15R1.809 C=C(CCC)CC(=O)Cc1ccccc1 1458a_100000138376_100015291786 [0,0,0,0,0,1|2,0,0]=3 1723 B15R1.809 C=C(CCC)CC(=O)Cc1ccccn1 1458a_100000138376_100000721315 [0,0,0,0,0,1|3,0,0]=4 1724 B15R1.809 C=C(CCC)CC(=O)Cc1cccnc1 1458a_100000138376_100000733263 [0,0,0,0,0,1|3,0,0]=4 1725 B15R1.809 C=C(CCC)CC(=O)Cc1ccncc1 1458a_100000138376_100000705612 [0,0,0,0,0,1|3,0,0]=4 1726 B15R1.809 C=C(CCC)CC(=O)Nc1ccccc1 11a_100000106764_100000138376 [0,0,0,0,0,1|2,0,0]=3 1727 B15R1.809 C=C(CCC)CC(=O)Nc1ccccc1 22a_100000106764_100000138376 [0,0,0,0,0,1|2,0,0]=3 1728 B15R1.809 C=C(CCC)CC(=O)Nc1ccccc1 527a_100000106764_100000138376 [0,0,0,0,0,1|2,0,0]=3 1729 B15R1.809 C=CCC(=O)CC(=O)Cc1ccccc1 1458a_100000210193_100000233483 [0,0,0,0,0,1|1,0,2]=4 1730 B15R1.809 C=CCC(=O)CC(=O)Nc1ccccc1 1458a_100000210193_100000182850 [0,0,0,0,0,1|1,0,2]=4 1731 B15R1.809 C=CCC(=O)CC(=O)Oc1ccccc1 1458a_100000210193_100009813826 [0,0,0,0,0,1|1,0,2]=4 1732 B15R1.809 C=COC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000036128 [0,0,0,0,0,1|1,0,2]=4 1733 B15R1.809 C=COC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000036128 [0,0,0,0,0,1|1,0,2]=4 1734 B15R1.809 C=COC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000036128 [0,0,0,0,0,1|1,0,2]=4 1735 B15R1.809 CC#CC(=O)CC(=O)Cc1ccccc1 1458a_100000763181_100000233483 [0,0,0,0,0,1|1,0,1]=3 1736 B15R1.809 CC#CC(=O)CC(=O)Nc1ccccc1 1458a_100000763181_100000182850 [0,0,0,0,0,1|1,0,1]=3 1737 B15R1.809 CC#CC(=O)CC(=O)Nc1ccccn1 1458a_100000763181_100020662008 [0,0,0,0,0,1|2,0,1]=4 1738 B15R1.809 CC#CC(=O)CC(=O)Nc1ccncc1 1458a_100000763181_100000754145 [0,0,0,0,0,1|2,0,1]=4 1739 B15R1.809 CC#CC(=O)CC(=O)Oc1ccccc1 1458a_100000763181_100009813826 [0,0,0,0,0,1|1,0,1]=3 1740 B15R1.809 CC=CC(=O)CC(=O)Cc1ccccc1 1458a_100000210699_100000233483 [0,0,0,0,0,1|1,0,1]=3 1741 B15R1.809 CC=CC(=O)CC(=O)Nc1ccccc1 1458a_100000210699_100000182850 [0,0,0,0,0,1|1,0,1]=3 1742 B15R1.809 CC=CC(=O)CC(=O)Nc1ccccn1 1458a_100000210699_100020662008 [0,0,0,0,0,1|2,0,1]=4 1743 B15R1.809 CC=CC(=O)CC(=O)Nc1ccncc1 1458a_100000210699_100000754145 [0,0,0,0,0,1|2,0,1]=4 1744 B15R1.809 CC=CC(=O)CC(=O)Oc1ccccc1 1458a_100000210699_100009813826 [0,0,0,0,0,1|1,0,1]=3 1745 B15R1.809 CCCC(=CC(=O)Cc1ccccc1)C 1458a_100020676950_100015291786 [0,0,0,0,0,1|2,0,1]=4 1746 B15R1.809 CCCC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100020676950 [0,0,0,0,0,1|2,0,1]=4 1747 B15R1.809 CCCC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100020676950 [0,0,0,0,0,1|2,0,1]=4 1748 B15R1.809 CCCC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100020676950 [0,0,0,0,0,1|2,0,1]=4 1749 B15R1.809 CCCC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000747444 [0,0,0,0,0,1|2,0,0]=3 1750 B15R1.809 CCCC(=O)CC(=O)Cc1ccccc1 1458a_100000211992_100000233483 [0,0,0,0,0,1|1,0,0]=2 1751 B15R1.809 CCCC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000747444 [0,0,0,0,0,1|2,0,0]=3 1752 B15R1.809 CCCC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000747444 [0,0,0,0,0,1|2,0,0]=3 1753 B15R1.809 CCCC(=O)CC(=O)Cc1cncnc1 1458a_100000721575_100000747444 [0,0,0,0,0,1|3,0,0]=4 1754 B15R1.809 CCCC(=O)CC(=O)Nc1ccccc1 1458a_100000211992_100000182850 [0,0,0,0,0,1|1,0,0]=2 1755 B15R1.809 CCCC(=O)CC(=O)Nc1ccccn1 1458a_100000211992_100020662008 [0,0,0,0,0,1|2,0,0]=3 1756 B15R1.809 CCCC(=O)CC(=O)Nc1ccncc1 1458a_100000211992_100000754145 [0,0,0,0,0,1|2,0,0]=3 1757 B15R1.809 CCCC(=O)CC(=O)Nc1ncccn1 1458a_100000211992_100000183248 [0,0,0,0,0,1|3,0,0]=4 1758 B15R1.809 CCCC(=O)CC(=O)Oc1ccccc1 1458a_100000211992_100009813826 [0,0,0,0,0,1|1,0,0]=2 1759 B15R1.809 CCCC(=O)CN(C)Cc1ccccc1 1458a_100000745601_100000210303 [0,0,0,0,0,1|3,0,0]=4 1760 B15R1.809 CCCC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000747444 [0,0,0,0,0,1|3,0,0]=4 1761 B15R1.809 CCCC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000747444 [0,0,0,0,0,1|3,0,0]=4 1762 B15R1.809 CCCC(C)CC(=O)Cc1ccccc1 1458a_100000748435_100015291786 [0,0,0,0,0,1|2,0,1]=4 1763 B15R1.809 CCCC(C)CC(=O)Nc1ccccc1 11a_100000106764_100000748435 [0,0,0,0,0,1|2,0,1]=4 1764 B15R1.809 CCCC(C)CC(=O)Nc1ccccc1 1626a_100000106764_100000748435 [0,0,0,0,0,1|2,0,1]=4 1765 B15R1.809 CCCC(C)CC(=O)Nc1ccccc1 22a_100000106764_100000748435 [0,0,0,0,0,1|2,0,1]=4 1766 B15R1.809 CCCC(C)CC(=O)Nc1ccccc1 527a_100000106764_100000748435 [0,0,0,0,0,1|2,0,1]=4 1767 B15R1.809 CCCN(C)CC(=O)Cc1ccccc1 2230a_100000747261_100000233483 [0,0,0,0,0,1|3,0,0]=4 1768 B15R1.809 CCCN(C)CC(=O)Cc1ccccc1 269982a_100000747261_100000233483 [0,0,0,0,0,1|3,0,0]=4 1769 B15R1.809 CCCN(C)CC(=O)Nc1ccccc1 2230a_100000747261_100000182850 [0,0,0,0,0,1|3,0,0]=4 1770 B15R1.809 CCCN(C)CC(=O)Nc1ccccc1 269982a_100000747261_100000182850 [0,0,0,0,0,1|3,0,0]=4 1771 B15R1.809 CCCN(C)CC(=O)Oc1ccccc1 2230a_100000747261_100009813826 [0,0,0,0,0,1|3,0,0]=4 1772 B15R1.809 CCCN(C)CC(=O)Oc1ccccc1 269982a_100000747261_100009813826 [0,0,0,0,0,1|3,0,0]=4 1773 B15R1.809 CCCS(=O)CC(=O)Cc1ccccc1 1458a_100011387404_100015291786 [0,0,0,0,0,1|2,0,0]=3 1774 B15R1.809 CCCS(=O)CC(=O)Cc1ccccn1 1458a_100011387404_100000721315 [0,0,0,0,0,1|3,0,0]=4 1775 B15R1.809 CCCS(=O)CC(=O)Cc1cccnc1 1458a_100011387404_100000733263 [0,0,0,0,0,1|3,0,0]=4 1776 B15R1.809 CCCS(=O)CC(=O)Cc1ccncc1 1458a_100011387404_100000705612 [0,0,0,0,0,1|3,0,0]=4 1777 B15R1.809 CCCS(=O)CC(=O)Nc1ccccc1 11a_100000106764_100011387404 [0,0,0,0,0,1|2,0,0]=3 1778 B15R1.809 CCCS(=O)CC(=O)Nc1ccccc1 1626a_100000106764_100011387404 [0,0,0,0,0,1|2,0,0]=3 1779 B15R1.809 CCCS(=O)CC(=O)Nc1ccccc1 22a_100000106764_100011387404 [0,0,0,0,0,1|2,0,0]=3 1780 B15R1.809 CCCS(=O)CC(=O)Nc1ccccc1 527a_100000106764_100011387404 [0,0,0,0,0,1|2,0,0]=3 1781 B15R1.809 CCNC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000183381 [0,0,0,0,0,1|2,0,0]=3 1782 B15R1.809 CCNC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000183381 [0,0,0,0,0,1|2,0,0]=3 1783 B15R1.809 CCNC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000183381 [0,0,0,0,0,1|2,0,0]=3 1784 B15R1.809 CCNC(=O)CC(=O)Cc1cncnc1 1458a_100000721575_100000183381 [0,0,0,0,0,1|3,0,0]=4 1785 B15R1.809 CCNC(=O)CC(=O)Oc1ccccc1 240690a_100015525214_200000075362 [0,0,0,0,0,1|1,0,0]=2 1786 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 11a_100015525214_100000745601 [0,0,0,0,0,1|3,0,0]=4 1787 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000183381 [0,0,0,0,0,1|3,0,0]=4 1788 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 2230a_100000741943_100015291786 [0,0,0,0,0,1|3,0,0]=4 1789 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 240690a_100015525214_100000745601 [0,0,0,0,0,1|3,0,0]=4 1790 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000183381 [0,0,0,0,0,1|3,0,0]=4 1791 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 269982a_100000741943_100000211182 [0,0,0,0,0,1|3,0,0]=4 1792 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 270004a_100000741943_100015611070 [0,0,0,0,0,1|3,0,0]=4 1793 B15R1.809 CCNC(=O)CN(C)Cc1ccccc1 527a_100015525214_100000745601 [0,0,0,0,0,1|3,0,0]=4 1794 B15R1.809 CCOC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000188475 [0,0,0,0,0,1|1,0,0]=2 1795 B15R1.809 CCOC(=O)CC(=O)Cc1ccccc1 1458a_100000243816_100015291786 [0,0,0,0,0,1|0,0,0]=1 1796 B15R1.809 CCOC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000188475 [0,0,0,0,0,1|1,0,0]=2 1797 B15R1.809 CCOC(=O)CC(=O)Cc1ccccn1 1458a_100000243816_100000721315 [0,0,0,0,0,1|1,0,0]=2 1798 B15R1.809 CCOC(=O)CC(=O)Cc1cccnc1 1458a_100000243816_100000733263 [0,0,0,0,0,1|1,0,0]=2 1799 B15R1.809 CCOC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000188475 [0,0,0,0,0,1|1,0,0]=2 1800 B15R1.809 CCOC(=O)CC(=O)Cc1cccnn1 1458a_100000243816_100016990269 [0,0,0,0,0,1|2,0,0]=3 1801 B15R1.809 CCOC(=O)CC(=O)Cc1ccncc1 1458a_100000243816_100000705612 [0,0,0,0,0,1|1,0,0]=2 1802 B15R1.809 CCOC(=O)CC(=O)Cc1cnccn1 1458a_100000243816_100016995436 [0,0,0,0,0,1|2,0,0]=3 1803 B15R1.809 CCOC(=O)CC(=O)Cc1cncnc1 1458a_100000243816_100015196519 [0,0,0,0,0,1|2,0,0]=3 1804 B15R1.809 CCOC(=O)CC(=O)Cc1cncnc1 1458a_100000721575_100000188475 [0,0,0,0,0,1|2,0,0]=3 1805 B15R1.809 CCOC(=O)CC(=O)Cc1ncccn1 1458a_100000243816_100000703007 [0,0,0,0,0,1|2,0,0]=3 1806 B15R1.809 CCOC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100000243816 [0,0,0,0,0,1|0,0,0]=1 1807 B15R1.809 CCOC(=O)CC(C)Oc1ccccc1 7a_100000210340_100009817359 [0,0,0,0,0,1|1,0,1]=3 1808 B15R1.809 CCOC(=O)CC(C)Oc1cccnc1 7a_100000210849_100009817359 [0,0,0,0,0,1|2,0,1]=4 1809 B15R1.809 CCOC(=O)CC(C)Sc1ccccc1 62a_100000719477_100009817359 [0,0,0,0,0,1|1,0,1]=3 1810 B15R1.809 CCOC(=O)CC(C)Sc1ccccc1 62a_100009817359_100000041952 [0,0,0,0,0,1|1,0,1]=3 1811 B15R1.809 CCOC(=O)CC(C)Sc1ccccn1 62a_100009817359_100011216584 [0,0,0,0,0,1|2,0,1]=4 1812 B15R1.809 CCOC(=O)CC(C)Sc1ccccn1 62a_100011216584_100009817359 [0,0,0,0,0,1|2,0,1]=4 1813 B15R1.809 CCOC(=O)CC(C)Sc1cccnc1 62a_100000210063_100009817359 [0,0,0,0,0,1|2,0,1]=4 1814 B15R1.809 CCOC(=O)CC(C)Sc1cccnc1 62a_100009817359_100000210063 [0,0,0,0,0,1|2,0,1]=4 1815 B15R1.809 CCOC(=O)CC(C)Sc1ccncc1 62a_100000728582_100009817359 [0,0,0,0,0,1|2,0,1]=4 1816 B15R1.809 CCOC(=O)CC(C)Sc1ccncc1 62a_100009817359_100000728582 [0,0,0,0,0,1|2,0,1]=4 1817 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000188475 [0,0,0,0,0,1|2,0,0]=3 1818 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 2230a_100000219878_200000210301 [0,0,0,0,0,1|2,0,0]=3 1819 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 2230a_100000220588_100015291786 [0,0,0,0,0,1|2,0,0]=3 1820 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000188475 [0,0,0,0,0,1|2,0,0]=3 1821 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 269982a_100000219878_200000210301 [0,0,0,0,0,1|2,0,0]=3 1822 B15R1.809 CCOC(=O)CN(C)Cc1ccccc1 270004a_100000220588_100015611070 [0,0,0,0,0,1|2,0,0]=3 1823 B15R1.809 CCOC(=O)CN(C)Cc1ccccn1 2230a_100000207498_100000188475 [0,0,0,0,0,1|3,0,0]=4 1824 B15R1.809 CCOC(=O)CN(C)Cc1ccccn1 2230a_100000220428_200000210301 [0,0,0,0,0,1|3,0,0]=4 1825 B15R1.809 CCOC(=O)CN(C)Cc1ccccn1 2230a_100000220588_100000721315 [0,0,0,0,0,1|3,0,0]=4 1826 B15R1.809 CCOC(=O)CN(C)Cc1ccccn1 269982a_100000207498_100000188475 [0,0,0,0,0,1|3,0,0]=4 1827 B15R1.809 CCOC(=O)CN(C)Cc1ccccn1 269982a_100000220428_200000210301 [0,0,0,0,0,1|3,0,0]=4 1828 B15R1.809 CCOC(=O)CN(C)Cc1ccccn1 270004a_100000220588_100000209966 [0,0,0,0,0,1|3,0,0]=4 1829 B15R1.809 CCOC(=O)CN(C)Cc1cccnc1 2230a_100000184577_100000188475 [0,0,0,0,0,1|3,0,0]=4 1830 B15R1.809 CCOC(=O)CN(C)Cc1cccnc1 2230a_100000220588_100000741622 [0,0,0,0,0,1|3,0,0]=4 1831 B15R1.809 CCOC(=O)CN(C)Cc1cccnc1 269982a_100000184577_100000188475 [0,0,0,0,0,1|3,0,0]=4 1832 B15R1.809 CCOC(=O)CN(C)Cc1cccnc1 270004a_100000220588_100000209961 [0,0,0,0,0,1|3,0,0]=4 1833 B15R1.809 CCOC(=O)CN(C)Cc1ccncc1 2230a_100000187231_100000188475 [0,0,0,0,0,1|3,0,0]=4 1834 B15R1.809 CCOC(=O)CN(C)Cc1ccncc1 2230a_100000220588_100015193705 [0,0,0,0,0,1|3,0,0]=4 1835 B15R1.809 CCOC(=O)CN(C)Cc1ccncc1 269982a_100000187231_100000188475 [0,0,0,0,0,1|3,0,0]=4 1836 B15R1.809 CCOC(=O)CN([13CH3])Cc1ccccc1 2230a_100000219878_200025704644 [0,0,0,0,0,1|2,0,0]=3 1837 B15R1.809 CCOC(=O)CN([13CH3])Cc1ccccc1 269982a_100000219878_200025704644 [0,0,0,0,0,1|2,0,0]=3 1838 B15R1.809 CCOC(=O)CN([13CH3])Cc1ccccn1 2230a_100000220428_200025704644 [0,0,0,0,0,1|3,0,0]=4 1839 B15R1.809 CCOC(=O)CN([13CH3])Cc1ccccn1 269982a_100000220428_200025704644 [0,0,0,0,0,1|3,0,0]=4 1840 B15R1.809 CCOC(=O)OC(C)Sc1ccccc1 62a_100000036008_100000041952 [0,0,0,0,0,1|2,0,1]=4 1841 B15R1.809 CCOC(=O)OC(C)Sc1ccccc1 62a_100000719477_100000036008 [0,0,0,0,0,1|2,0,1]=4 1842 B15R1.809 CCSC(C)CC(=O)Cc1ccccc1 1458a_200011311441_100015291786 [0,0,0,0,0,1|1,1,1]=4 1843 B15R1.809 CCSC(C)CC(=O)Nc1ccccc1 11a_100000106764_200011311441 [0,0,0,0,0,1|1,1,1]=4 1844 B15R1.809 CCSC(C)CC(=O)Nc1ccccc1 1626a_100000106764_200011311441 [0,0,0,0,0,1|1,1,1]=4 1845 B15R1.809 CCSC(C)CC(=O)Nc1ccccc1 22a_100000106764_200011311441 [0,0,0,0,0,1|1,1,1]=4 1846 B15R1.809 CCSC(C)CC(=O)Nc1ccccc1 527a_100000106764_200011311441 [0,0,0,0,0,1|1,1,1]=4 1847 B15R1.809 CNCC(=O)NC(=O)Cc1ccccc1 2230a_106832991635_100000010274 [0,0,0,0,0,1|3,0,0]=4 1848 B15R1.809 CNCC(=O)NC(=O)Cc1ccccc1 7a_106832991635_100000010274 [0,0,0,0,0,1|3,0,0]=4 1849 B15R1.809 CNCC(=O)NC(=O)Nc1ccccc1 2230a_106832991635_100000206019 [0,0,0,0,0,1|3,0,0]=4 1850 B15R1.809 CNCC(=O)NC(=O)Nc1ccccc1 7a_106832991635_100000206019 [0,0,0,0,0,1|3,0,0]=4 1851 B15R1.809 COCC(=O)CC(=O)Cc1ccccc1 1458a_100000210968_100000233483 [0,0,0,0,0,1|2,0,0]=3 1852 B15R1.809 COCC(=O)CC(=O)Nc1ccccc1 1458a_100000210968_100000182850 [0,0,0,0,0,1|2,0,0]=3 1853 B15R1.809 COCC(=O)CC(=O)Nc1ccccn1 1458a_100000210968_100020662008 [0,0,0,0,0,1|3,0,0]=4 1854 B15R1.809 COCC(=O)CC(=O)Nc1ccncc1 1458a_100000210968_100000754145 [0,0,0,0,0,1|3,0,0]=4 1855 B15R1.809 COCC(=O)CC(=O)Oc1ccccc1 1458a_100000210968_100009813826 [0,0,0,0,0,1|2,0,0]=3 1856 B15R1.809 CSCC(=O)CC(=O)Cc1ccccc1 1458a_100000184570_100000233483 [0,0,0,0,0,1|2,0,0]=3 1857 B15R1.809 CSCC(=O)CC(=O)Nc1ccccc1 1458a_100000184570_100000182850 [0,0,0,0,0,1|2,0,0]=3 1858 B15R1.809 CSCC(=O)CC(=O)Nc1ccccn1 1458a_100000184570_100020662008 [0,0,0,0,0,1|3,0,0]=4 1859 B15R1.809 CSCC(=O)CC(=O)Nc1ccncc1 1458a_100000184570_100000754145 [0,0,0,0,0,1|3,0,0]=4 1860 B15R1.809 CSCC(=O)CC(=O)Oc1ccccc1 1458a_100000184570_100009813826 [0,0,0,0,0,1|2,0,0]=3 1861 B15R1.809 CSCC(=O)NC(=O)Cc1ccccc1 62a_200000210301_100000010274 [0,0,0,0,0,1|3,0,0]=4 1862 B15R1.809 CSCC(=O)NC(=O)Nc1ccccc1 62a_200000210301_100000206019 [0,0,0,0,0,1|3,0,0]=4 1863 B15R1.809 N#CCC(=O)CC(=O)Cc1ccccc1 1458a_100051588842_100000233483 [0,0,0,0,0,1|2,0,1]=4 1864 B15R1.809 N#CCC(=O)CC(=O)Nc1ccccc1 1458a_100051588842_100000182850 [0,0,0,0,0,1|2,0,1]=4 1865 B15R1.809 N#CCC(=O)CC(=O)Oc1ccccc1 1458a_100051588842_100009813826 [0,0,0,0,0,1|2,0,1]=4 1866 B15R1.809 O=C(C=CBr)CC(=O)Cc1ccccc1 1458a_100016273825_100000233483 [0,0,0,0,0,1|2,0,1]=4 1867 B15R1.809 O=C(C=CBr)CC(=O)Nc1ccccc1 1458a_100016273825_100000182850 [0,0,0,0,0,1|2,0,1]=4 1868 B15R1.809 O=C(C=CBr)CC(=O)Oc1ccccc1 1458a_100016273825_100009813826 [0,0,0,0,0,1|2,0,1]=4 1869 B15R1.809 O=C(C=CCl)CC(=O)Cc1ccccc1 1458a_200016279998_100000233483 [0,0,0,0,0,1|2,0,1]=4 1870 B15R1.809 O=C(C=CCl)CC(=O)Nc1ccccc1 1458a_200016279998_100000182850 [0,0,0,0,0,1|2,0,1]=4 1871 B15R1.809 O=C(C=CCl)CC(=O)Oc1ccccc1 1458a_200016279998_100009813826 [0,0,0,0,0,1|2,0,1]=4 1872 B15R1.809 O=C(C=CI)CC(=O)Cc1ccccc1 1458a_100016256311_100000233483 [0,0,0,0,0,1|2,0,1]=4 1873 B15R1.809 O=C(C=CI)CC(=O)Nc1ccccc1 1458a_100016256311_100000182850 [0,0,0,0,0,1|2,0,1]=4 1874 B15R1.809 O=C(C=CI)CC(=O)Oc1ccccc1 1458a_100016256311_100009813826 [0,0,0,0,0,1|2,0,1]=4 1875 B15R1.809 O=C(CC(=O)NCO)C[n+]1ccccc1 1458a_200000086051_100000185155 [0,0,0,0,0,1|3,0,0]=4 1876 B15R1.809 O=C(CC(=O)NCO)Cc1ccccn1 1458a_100000233486_100000185155 [0,0,0,0,0,1|3,0,0]=4 1877 B15R1.809 O=C(CC(=O)NCO)Cc1cccnc1 1458a_100000737805_100000185155 [0,0,0,0,0,1|3,0,0]=4 1878 B15R1.809 O=C(CCO)CC(=O)Cc1ccccc1 1458a_100011216618_100000233483 [0,0,0,0,0,1|2,0,0]=3 1879 B15R1.809 O=C(CCO)CC(=O)Nc1ccccc1 1458a_100011216618_100000182850 [0,0,0,0,0,1|2,0,0]=3 1880 B15R1.809 O=C(CCO)CC(=O)Nc1ccccn1 1458a_100011216618_100020662008 [0,0,0,0,0,1|3,0,0]=4 1881 B15R1.809 O=C(CCO)CC(=O)Nc1ccncc1 1458a_100011216618_100000754145 [0,0,0,0,0,1|3,0,0]=4 1882 B15R1.809 O=C(CCO)CC(=O)Oc1ccccc1 1458a_100011216618_100009813826 [0,0,0,0,0,1|2,0,0]=3 1883 B15R1.809 [13CH3]SCC(=O)NC(=O)Cc1ccccc1 62a_200025704644_100000010274 [0,0,0,0,0,1|3,0,0]=4 1884 B15R1.809 [13CH3]SCC(=O)NC(=O)Nc1ccccc1 62a_200025704644_100000206019 [0,0,0,0,0,1|3,0,0]=4 1885 B12R0.239 C/C=C/C=CC(=O)CC(=O)CCC 1458a_100000185730_100000747444 [1,0,1,0,0,0|1,0,1]=4 1886 B12R0.239 C/C=C/C=CC(=O)CC(=O)NCC 1458a_100000185730_100000183381 [1,0,1,0,0,0|1,0,1]=4 1887 B12R0.239 C/C=C/C=CC(=O)CC(=O)OCC 1458a_100000185730_100000188475 [1,0,1,0,0,0|0,0,1]=3 1888 B12R1.27 CCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210202 [2,0,0,0,0,0|0,0,2]=4 1889 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [2,0,0,0,0,0|0,0,1]=3 1890 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [2,0,0,0,0,0|1,0,1]=4 1891 B12R1.27 CCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210202 [2,0,0,0,0,0|1,0,1]=4 1892 B12R1.27 CCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210202 [2,0,0,0,0,0|1,0,1]=4 1893 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [2,0,0,0,0,0|0,0,1]=3 1894 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [2,0,0,0,0,0|0,0,1]=3 1895 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100000210414_100015183660 [2,0,0,0,0,0|1,0,1]=4 1896 B12R1.27 CCC(=O)CCc1ccccn1 1458a_100015195070_100000210202 [2,0,0,0,0,0|1,0,1]=4 1897 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [2,0,0,0,0,0|1,0,1]=4 1898 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [2,0,0,0,0,0|1,0,1]=4 1899 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100000210414_100000723409 [2,0,0,0,0,0|1,0,1]=4 1900 B12R1.27 CCC(=O)CCc1ccncc1 1458a_100011225043_100000210202 [2,0,0,0,0,0|1,0,1]=4 1901 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [2,0,0,0,0,0|1,0,0]=3 1902 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [2,0,0,0,0,0|1,0,0]=3 1903 B12R1.27 CCC(=O)COc1ccccn1 1458a_100102699861_100000210202 [2,0,0,0,0,0|2,0,0]=4 1904 B12R1.27 CCC(=O)COc1cccnc1 1458a_100015207166_100000210202 [2,0,0,0,0,0|2,0,0]=4 1905 B12R1.27 CCC(=O)COc1cccnc1 7a_100000210849_100000747405 [2,0,0,0,0,0|2,0,0]=4 1906 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [2,0,0,0,0,0|1,0,0]=3 1907 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [2,0,0,0,0,0|1,0,0]=3 1908 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [2,0,0,0,0,0|1,0,0]=3 1909 B12R1.27 CCC(=O)CSc1ccccn1 1458a_100000156281_100000210202 [2,0,0,0,0,0|2,0,0]=4 1910 B12R1.27 CCC(=O)CSc1ccccn1 62a_100000747405_100011216584 [2,0,0,0,0,0|2,0,0]=4 1911 B12R1.27 CCC(=O)CSc1ccccn1 62a_100011216584_100000747405 [2,0,0,0,0,0|2,0,0]=4 1912 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000210063_100000747405 [2,0,0,0,0,0|2,0,0]=4 1913 B12R1.27 CCC(=O)CSc1cccnc1 62a_100000747405_100000210063 [2,0,0,0,0,0|2,0,0]=4 1914 B12R1.27 CCC(=O)CSc1ccncc1 1458a_100000211328_100000210202 [2,0,0,0,0,0|2,0,0]=4 1915 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000728582_100000747405 [2,0,0,0,0,0|2,0,0]=4 1916 B12R1.27 CCC(=O)CSc1ccncc1 62a_100000747405_100000728582 [2,0,0,0,0,0|2,0,0]=4 1917 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [2,0,0,0,0,0|1,0,1]=4 1918 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [2,0,0,0,0,0|1,0,1]=4 1919 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [2,0,0,0,0,0|1,0,1]=4 1920 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [2,0,0,0,0,0|1,0,1]=4 1921 B12R1.27 CCC(=O)NNc1ccccc1 22a_100015195140_100000210414 [2,0,0,0,0,0|2,0,0]=4 1922 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [2,0,0,0,0,0|1,0,1]=4 1923 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [2,0,0,0,0,0|1,0,1]=4 1924 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [2,0,0,0,0,0|1,0,1]=4 1925 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [2,0,0,0,0,0|1,0,1]=4 1926 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [2,0,0,0,0,0|1,0,1]=4 1927 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [2,0,0,0,0,0|1,0,1]=4 1928 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [2,0,0,0,0,0|2,0,0]=4 1929 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [2,0,0,0,0,0|2,0,0]=4 1930 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [2,0,0,0,0,0|2,0,0]=4 1931 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [2,0,0,0,0,0|2,0,0]=4 1932 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [2,0,0,0,0,0|2,0,0]=4 1933 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [2,0,0,0,0,0|2,0,0]=4 1934 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [2,0,0,0,0,0|2,0,0]=4 1935 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [2,0,0,0,0,0|2,0,0]=4 1936 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [2,0,0,0,0,0|2,0,0]=4 1937 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [2,0,0,0,0,0|2,0,0]=4 1938 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [2,0,0,0,0,0|2,0,0]=4 1939 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [2,0,0,0,0,0|2,0,0]=4 1940 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [2,0,0,0,0,0|2,0,0]=4 1941 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [2,0,0,0,0,0|1,0,0]=3 1942 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [2,0,0,0,0,0|1,0,0]=3 1943 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [2,0,0,0,0,0|1,0,0]=3 1944 B12R1.27 COC(=O)COc1cccnc1 34a_100000210849_100000747449 [2,0,0,0,0,0|2,0,0]=4 1945 B12R1.27 COC(=O)COc1cccnc1 7a_100000210849_100000747449 [2,0,0,0,0,0|2,0,0]=4 1946 B12R1.27 COC(=O)COc1ccncc1 34a_100000212176_100000747449 [2,0,0,0,0,0|2,0,0]=4 1947 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [2,0,0,0,0,0|1,0,0]=3 1948 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [2,0,0,0,0,0|1,0,0]=3 1949 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [2,0,0,0,0,0|2,0,0]=4 1950 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [2,0,0,0,0,0|2,0,0]=4 1951 B12R1.27 COC(=O)CSc1cccnc1 62a_100000210063_100000747449 [2,0,0,0,0,0|2,0,0]=4 1952 B12R1.27 COC(=O)CSc1cccnc1 62a_100000747449_100000210063 [2,0,0,0,0,0|2,0,0]=4 1953 B12R1.27 COC(=O)CSc1ccncc1 62a_100000728582_100000747449 [2,0,0,0,0,0|2,0,0]=4 1954 B12R1.27 COC(=O)CSc1ccncc1 62a_100000747449_100000728582 [2,0,0,0,0,0|2,0,0]=4 1955 B12R1.27 O=C(C=Cc1ccccc1)CF 1458a_100000210462_100015361967 [2,0,0,0,0,0|1,0,1]=4 1956 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [2,0,0,0,0,0|1,0,1]=4 1957 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [2,0,0,0,0,0|2,0,0]=4 1958 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [2,0,0,0,0,0|2,0,0]=4 1959 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [2,0,0,0,0,0|1,0,1]=4 1960 B12R1.30 C/C=C/CC(=O)c1ccccc1 1458a_100000185807_100102629194 [2,0,0,0,0,0|0,0,1]=3 1961 B12R1.30 CC#CCC(=O)c1ccccc1 1458a_100000185807_100000748600 [2,0,0,0,0,0|0,0,2]=4 1962 B12R1.30 CC=CCC(=O)c1ccccc1 1458a_100000185807_100000070051 [2,0,0,0,0,0|0,0,1]=3 1963 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [2,0,0,0,0,0|0,0,1]=3 1964 B12R1.30 CCCNC(=O)c1ccccc1 11a_100020643023_100000185807 [2,0,0,0,0,0|1,0,1]=4 1965 B12R1.30 CCCNC(=O)c1ccccc1 1626a_100020643023_100000185807 [2,0,0,0,0,0|1,0,1]=4 1966 B12R1.30 CCCNC(=O)c1ccccc1 240690a_100020643023_100000185807 [2,0,0,0,0,0|1,0,1]=4 1967 B12R1.30 CCCNC(=O)c1ccccc1 527a_100020643023_100000185807 [2,0,0,0,0,0|1,0,1]=4 1968 B12R1.30 CCNNC(=O)c1ccccc1 22a_100000756455_100000185807 [2,0,0,0,0,0|2,0,0]=4 1969 B12R1.30 CCOCC(=O)c1ccccn1 34a_100121572206_100000027445 [2,0,0,0,0,0|1,0,0]=3 1970 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [2,0,0,0,0,0|1,0,1]=4 1971 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [2,0,0,0,0,0|1,0,1]=4 1972 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [2,0,0,0,0,0|1,0,1]=4 1973 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [2,0,0,0,0,0|0,0,2]=4 1974 B12R1.30 CCOCN(C)c1ccccc1 269982a_100000210012_100000739092 [2,0,0,0,0,0|2,0,0]=4 1975 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [2,0,0,0,0,0|1,0,1]=4 1976 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [2,0,0,0,0,0|0,0,2]=4 1977 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000210202_100000211460 [2,0,0,0,0,0|0,1,0]=3 1978 B12R1.30 CCSCC(=O)c1ccccc1 62a_100000211460_100000210202 [2,0,0,0,0,0|0,1,0]=3 1979 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000027445_100000210202 [2,0,0,0,0,0|1,1,0]=4 1980 B12R1.30 CCSCC(=O)c1ccccn1 62a_100000210202_100000027445 [2,0,0,0,0,0|1,1,0]=4 1981 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000210202_100000757877 [2,0,0,0,0,0|1,1,0]=4 1982 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000757877_100000210202 [2,0,0,0,0,0|1,1,0]=4 1983 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000027454_100000210202 [2,0,0,0,0,0|1,1,0]=4 1984 B12R1.30 CCSCC(=O)c1ccncc1 62a_100000210202_100000027454 [2,0,0,0,0,0|1,1,0]=4 1985 B12R1.30 CCSCS(=O)c1ccccc1 62a_100000210202_100000031784 [2,0,0,0,0,0|1,1,0]=4 1986 B12R1.30 CNCCC(=O)c1ccccc1 2230a_106832991635_100000750707 [2,0,0,0,0,0|1,0,1]=4 1987 B12R1.30 CNCCC(=O)c1ccccc1 7a_106832991635_100000750707 [2,0,0,0,0,0|1,0,1]=4 1988 B12R1.30 COCCC(=O)c1ccccc1 1458a_100000185807_100000233755 [2,0,0,0,0,0|0,0,1]=3 1989 B12R1.30 CSCCC(=O)c1ccccc1 1458a_100000185807_100000751147 [2,0,0,0,0,0|0,1,1]=4 1990 B12R1.30 CSCCC(=O)c1ccccc1 62a_100000750707_200000210301 [2,0,0,0,0,0|0,1,1]=4 1991 B12R1.30 CSCCC(=O)c1ccccc1 62a_200000210301_100000750707 [2,0,0,0,0,0|0,1,1]=4 1992 B12R1.30 O=C(CCCF)c1ccccc1 1458a_100000185807_100011934791 [2,0,0,0,0,0|1,0,1]=4 1993 B12R1.30 O=C(CCCO)c1ccccc1 1458a_100000185807_100011215043 [2,0,0,0,0,0|1,0,1]=4 1994 B12R1.30 O=C(CSCF)c1ccccc1 62a_100000211460_100015361967 [2,0,0,0,0,0|1,1,0]=4 1995 B12R1.30 O=C(CSCF)c1ccccc1 62a_100015361967_100000211460 [2,0,0,0,0,0|1,1,0]=4 1996 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_100000750707_200025704644 [2,0,0,0,0,0|0,1,1]=4 1997 B12R1.30 [13CH3]SCCC(=O)c1ccccc1 62a_200025704644_100000750707 [2,0,0,0,0,0|0,1,1]=4 1998 B12R1.107 C=C(C)CC(=O)c1ccccc1 1458a_100000185807_100000748629 [2,0,0,0,0,0|1,0,0]=3 1999 B12R1.107 C=C(F)CC(=O)c1ccccc1 1458a_100000185807_100009893438 [2,0,0,0,0,0|1,0,1]=4 2000 B12R1.107 CC(=CC(=O)[13CH3])c1ccccc1 1458a_100000743005_200025704644 [2,0,0,0,0,0|1,0,1]=4 2001 B12R1.107 CC(=O)C=C(C)c1ccccc1 1458a_100000743005_200000210301 [2,0,0,0,0,0|1,0,1]=4 2002 B12R1.107 CC(=O)CC(=O)c1ccccc1 1458a_100000070787_100000211460 [2,0,0,0,0,0|0,0,0]=2 2003 B12R1.107 CC(=O)CC(=O)c1ccccn1 1458a_100000070787_100000027445 [2,0,0,0,0,0|1,0,0]=3 2004 B12R1.107 CC(=O)CC(=O)c1cccnc1 1458a_100000070787_100015188593 [2,0,0,0,0,0|1,0,0]=3 2005 B12R1.107 CC(=O)CC(=O)c1ccncc1 1458a_100000070787_100000027454 [2,0,0,0,0,0|1,0,0]=3 2006 B12R1.107 CC(=O)CC(=O)c1ncccn1 1458a_100000070787_100020636365 [2,0,0,0,0,0|2,0,0]=4 2007 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000070787_100000756946 [2,0,0,0,0,0|1,0,1]=4 2008 B12R1.107 CC(=O)CC(C)c1ccccc1 1458a_100000183687_200000210301 [2,0,0,0,0,0|1,0,1]=4 2009 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000070787_100000185958 [2,0,0,0,0,0|0,0,2]=4 2010 B12R1.107 CC(=O)CC(O)c1ccccc1 1458a_100000690199_200000210301 [2,0,0,0,0,0|0,0,2]=4 2011 B12R1.107 CC(=O)CN(C)c1ccccc1 1458a_100000745425_200000210301 [2,0,0,0,0,0|2,0,0]=4 2012 B12R1.107 CC(=O)C[C@@H](O)c1ccccc1 1458a_100000070787_100011933945 [2,0,0,0,0,0|0,0,2]=4 2013 B12R1.107 CC(C)CC(=O)c1ccccc1 1458a_100000185807_100000210624 [2,0,0,0,0,0|1,0,1]=4 2014 B12R1.107 CC(CC(=O)[13CH3])c1ccccc1 1458a_100000183687_200025704644 [2,0,0,0,0,0|1,0,1]=4 2015 B12R1.107 CC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218427 [2,0,0,0,0,0|0,0,2]=4 2016 B12R1.107 CN(C)CC(=O)c1ccccc1 269982a_100102631434_100000211460 [2,0,0,0,0,0|2,0,0]=4 2017 B12R1.107 CN(CC(=O)O)c1ccccc1 269956a_100000212060_200000210301 [2,0,0,0,0,0|2,0,0]=4 2018 B12R1.107 CN(CC(=O)[13CH3])c1ccccc1 1458a_100000745425_200025704644 [2,0,0,0,0,0|2,0,0]=4 2019 B12R1.107 NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000187820 [2,0,0,0,0,0|1,0,0]=3 2020 B12R1.107 O=C(C[N+](=O)[O-])c1ccccc1 1458a_100000185807_100000761209 [2,0,0,0,0,0|1,0,1]=4 2021 B12R1.107 O=C([O-])CC(=O)c1ccccc1 1458a_100000185807_100020667443 [2,0,0,0,0,0|0,0,1]=3 2022 B12R1.107 [13CH3]C(=O)CC(O)c1ccccc1 1458a_100000690199_200025704644 [2,0,0,0,0,0|0,0,2]=4 2023 B12R1.107 [13CH3]N(CC(=O)O)c1ccccc1 269956a_100000212060_200025704644 [2,0,0,0,0,0|2,0,0]=4 2024 B12R1.8 CC/C=C\CNc1ccccc1 34a_100000106764_100103147603 [2,0,0,0,0,0|2,0,0]=4 2025 B12R1.8 CC/C=C\COc1ccccc1 34a_100000210340_100103147603 [2,0,0,0,0,0|2,0,0]=4 2026 B12R1.8 CC/C=C\COc1ccccc1 7a_100000210340_100103147603 [2,0,0,0,0,0|2,0,0]=4 2027 B12R1.8 CC/C=C\CSc1ccccc1 62a_100000719477_100103147603 [2,0,0,0,0,0|2,0,0]=4 2028 B12R1.8 CC/C=C\CSc1ccccc1 62a_100103147603_100000041952 [2,0,0,0,0,0|2,0,0]=4 2029 B12R1.8 CCOC/C=C/c1ccccc1 34a_100000210256_100000210202 [2,0,0,0,0,0|0,0,2]=4 2030 B12R1.8 CCOC/C=C/c1ccccc1 34a_100121572206_100016265936 [2,0,0,0,0,0|0,0,2]=4 2031 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [2,0,0,0,0,0|0,0,2]=4 2032 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [2,0,0,0,0,0|0,0,2]=4 2033 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [2,0,0,0,0,0|0,0,2]=4 2034 B12R1.8 CCOCCNc1ccccc1 34a_100000106764_100000210147 [2,0,0,0,0,0|1,0,1]=4 2035 B12R1.8 CCOCCNc1ccccc1 34a_100000211345_100000210202 [2,0,0,0,0,0|1,0,1]=4 2036 B12R1.8 CCOCCOc1ccccc1 34a_100000210260_100000210202 [2,0,0,0,0,0|1,0,1]=4 2037 B12R1.8 CCOCCOc1ccccc1 34a_100000210340_100000210147 [2,0,0,0,0,0|1,0,1]=4 2038 B12R1.8 CCOCCOc1ccccc1 34a_100121572206_100000184471 [2,0,0,0,0,0|1,0,1]=4 2039 B12R1.8 CCOCCOc1ccccc1 7a_100000210260_100000210202 [2,0,0,0,0,0|1,0,1]=4 2040 B12R1.8 CCOCCOc1ccccc1 7a_100000210340_100011215890 [2,0,0,0,0,0|1,0,1]=4 2041 B12R1.8 CCOCCSc1ccccc1 34a_100121572206_100000246102 [2,0,0,0,0,0|1,0,1]=4 2042 B12R1.8 CCOCCSc1ccccc1 62a_100000210147_100000041952 [2,0,0,0,0,0|1,0,1]=4 2043 B12R1.8 CCOCCSc1ccccc1 62a_100000719477_100011215890 [2,0,0,0,0,0|1,0,1]=4 2044 B12R1.8 CCOCCSc1ccccc1 7a_100000230494_100000210202 [2,0,0,0,0,0|1,0,1]=4 2045 B14R0.73 CCC/C=C/C=CC(=O)CC(=O)OCC 1458a_200016258893_100000188475 [0,1,1,0,0,0|0,0,2]=4 2046 B14R0.154 C=CC=CC(=O)CC(=O)NC(=O)OCC 1458a_100016291481_100000010344 [0,1,1,0,0,0|1,0,1]=4 2047 B14R0.501 C=CCN(CC=C)C(=O)CC(=O)OCC 240690a_100000210471_100000243816 [0,1,1,0,0,0|1,0,1]=4 2048 B14R1.10 C#CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000211873_100000188085 [1,1,0,0,0,0|0,0,2]=4 2049 B14R1.10 C#CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000211873_100000211441 [1,1,0,0,0,0|0,0,2]=4 2050 B14R1.10 C#CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000211873_100000211071 [1,1,0,0,0,0|0,0,2]=4 2051 B14R1.10 C#CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000211873_100000211279 [1,1,0,0,0,0|0,0,2]=4 2052 B14R1.10 C#CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000211873_100011216261 [1,1,0,0,0,0|0,0,2]=4 2053 B14R1.10 C#CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000211873_100009814261 [1,1,0,0,0,0|0,0,2]=4 2054 B14R1.10 C=CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185746_100000188085 [1,1,0,0,0,0|0,0,2]=4 2055 B14R1.10 C=CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000185746_100000211441 [1,1,0,0,0,0|0,0,2]=4 2056 B14R1.10 C=CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000185746_100000211071 [1,1,0,0,0,0|0,0,2]=4 2057 B14R1.10 C=CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000185746_100000211279 [1,1,0,0,0,0|0,0,2]=4 2058 B14R1.10 C=CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000185746_100011216261 [1,1,0,0,0,0|0,0,2]=4 2059 B14R1.10 C=CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000185746_100009814261 [1,1,0,0,0,0|0,0,2]=4 2060 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000747405 [1,1,0,0,0,0|0,0,0]=2 2061 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000210414_100000188085 [1,1,0,0,0,0|0,0,0]=2 2062 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000747405 [1,1,0,0,0,0|0,0,0]=2 2063 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000210414_100000211441 [1,1,0,0,0,0|0,0,0]=2 2064 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000747405 [1,1,0,0,0,0|0,0,0]=2 2065 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210414_100000211071 [1,1,0,0,0,0|0,0,0]=2 2066 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000747405 [1,1,0,0,0,0|0,0,0]=2 2067 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000210414_100000211279 [1,1,0,0,0,0|0,0,0]=2 2068 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000747405 [1,1,0,0,0,0|0,0,0]=2 2069 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000210414_100011216261 [1,1,0,0,0,0|0,0,0]=2 2070 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000210414_100009814261 [1,1,0,0,0,0|0,0,0]=2 2071 B14R1.10 CCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000747405 [1,1,0,0,0,0|0,0,0]=2 2072 B14R1.10 CCC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100000210414_100016989621 [1,1,0,0,0,0|1,0,0]=3 2073 B14R1.10 CCC(=O)CC(=O)c1ccc(nc1)C 1458a_100000210414_100012027583 [1,1,0,0,0,0|1,0,0]=3 2074 B14R1.10 CCC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100000210414_100009864725 [1,1,0,0,0,0|1,0,0]=3 2075 B14R1.10 CCC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_100000210202 [1,1,0,0,0,0|1,0,1]=4 2076 B14R1.10 CCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000210414_200011996143 [1,1,0,0,0,0|0,0,2]=4 2077 B14R1.10 CCC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000747405 [1,1,0,0,0,0|2,0,0]=4 2078 B14R1.10 CCC(=O)CN(C)c1ccc(cc1)C 269982a_100000219977_100000747405 [1,1,0,0,0,0|2,0,0]=4 2079 B14R1.10 CCC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000747405 [1,1,0,0,0,0|2,0,0]=4 2080 B14R1.10 CCC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_100000747405 [1,1,0,0,0,0|2,0,0]=4 2081 B14R1.10 CCC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_100000747405 [1,1,0,0,0,0|2,0,0]=4 2082 B14R1.10 CCC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000747405 [1,1,0,0,0,0|2,0,0]=4 2083 B14R1.10 CCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000210414_100000720402 [1,1,0,0,0,0|0,0,2]=4 2084 B14R1.10 CCC(C)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000748023 [1,1,0,0,0,0|1,0,1]=4 2085 B14R1.10 CCC(C)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000748023 [1,1,0,0,0,0|1,0,1]=4 2086 B14R1.10 CCC(C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000748023 [1,1,0,0,0,0|1,0,1]=4 2087 B14R1.10 CCC(C)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000748023 [1,1,0,0,0,0|1,0,1]=4 2088 B14R1.10 CCC(C)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000748023 [1,1,0,0,0,0|1,0,1]=4 2089 B14R1.10 CCC(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000748023 [1,1,0,0,0,0|1,0,1]=4 2090 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100011218378 [1,1,0,0,0,0|0,0,2]=4 2091 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100011218378 [1,1,0,0,0,0|0,0,2]=4 2092 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011218378 [1,1,0,0,0,0|0,0,2]=4 2093 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100011218378 [1,1,0,0,0,0|0,0,2]=4 2094 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100011218378 [1,1,0,0,0,0|0,0,2]=4 2095 B14R1.10 CCC(O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011218378 [1,1,0,0,0,0|0,0,2]=4 2096 B14R1.10 CCN(C)CC(=O)c1ccc(cc1)Br 269982a_100000225621_100000188085 [1,1,0,0,0,0|2,0,0]=4 2097 B14R1.10 CCN(C)CC(=O)c1ccc(cc1)C 2230a_100000225621_100000211441 [1,1,0,0,0,0|2,0,0]=4 2098 B14R1.10 CCN(C)CC(=O)c1ccc(cc1)C 269982a_100000225621_100000211441 [1,1,0,0,0,0|2,0,0]=4 2099 B14R1.10 CCN(C)CC(=O)c1ccc(cc1)Cl 269982a_100000225621_100000211071 [1,1,0,0,0,0|2,0,0]=4 2100 B14R1.10 CCN(C)CC(=O)c1ccc(cc1)F 269982a_100000225621_100000211279 [1,1,0,0,0,0|2,0,0]=4 2101 B14R1.10 CCN(C)CC(=O)c1ccc(cc1)I 269982a_100000225621_100011216261 [1,1,0,0,0,0|2,0,0]=4 2102 B14R1.10 CCN(C)CC(=O)c1ccc(cc1)O 269982a_100000225621_100009814261 [1,1,0,0,0,0|2,0,0]=4 2103 B14R1.10 CC[C@H](C)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100009816398 [1,1,0,0,0,0|1,0,1]=4 2104 B14R1.10 CC[C@H](C)CC(=O)c1ccc(cc1)C 1458a_100000188618_100009816398 [1,1,0,0,0,0|1,0,1]=4 2105 B14R1.10 CC[C@H](C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100009816398 [1,1,0,0,0,0|1,0,1]=4 2106 B14R1.10 CC[C@H](C)CC(=O)c1ccc(cc1)F 1458a_100000187176_100009816398 [1,1,0,0,0,0|1,0,1]=4 2107 B14R1.10 CC[C@H](C)CC(=O)c1ccc(cc1)I 1458a_100000187904_100009816398 [1,1,0,0,0,0|1,0,1]=4 2108 B14R1.10 CC[C@H](C)CC(=O)c1ccc(cc1)O 1458a_100000212099_100009816398 [1,1,0,0,0,0|1,0,1]=4 2109 B14R1.10 CNC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000183359 [1,1,0,0,0,0|1,0,0]=3 2110 B14R1.10 CNC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000183359 [1,1,0,0,0,0|1,0,0]=3 2111 B14R1.10 CNC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000183359 [1,1,0,0,0,0|1,0,0]=3 2112 B14R1.10 CNC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000183359 [1,1,0,0,0,0|1,0,0]=3 2113 B14R1.10 CNC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000183359 [1,1,0,0,0,0|1,0,0]=3 2114 B14R1.10 CNC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000183359 [1,1,0,0,0,0|1,0,0]=3 2115 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000747449 [1,1,0,0,0,0|0,0,0]=2 2116 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000747449 [1,1,0,0,0,0|0,0,0]=2 2117 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000747449 [1,1,0,0,0,0|0,0,0]=2 2118 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000747449 [1,1,0,0,0,0|0,0,0]=2 2119 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000747449 [1,1,0,0,0,0|0,0,0]=2 2120 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000747449 [1,1,0,0,0,0|0,0,0]=2 2121 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100014373347 [1,1,0,0,0,0|0,0,0]=2 2122 B14R1.10 COC(=O)CC(N)c1ccc(cc1)O 271570a_203496583355_100000736623 [1,1,0,0,0,0|1,0,1]=4 2123 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100000747449 [1,1,0,0,0,0|2,0,0]=4 2124 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100000747449 [1,1,0,0,0,0|2,0,0]=4 2125 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Br 34a_100000219623_100000747449 [1,1,0,0,0,0|2,0,0]=4 2126 B14R1.10 COC(=O)CN(C)c1ccc(cc1)C 2230a_100000219977_100000747449 [1,1,0,0,0,0|2,0,0]=4 2127 B14R1.10 COC(=O)CN(C)c1ccc(cc1)C 269982a_100000219977_100000747449 [1,1,0,0,0,0|2,0,0]=4 2128 B14R1.10 COC(=O)CN(C)c1ccc(cc1)C 34a_100000219977_100000747449 [1,1,0,0,0,0|2,0,0]=4 2129 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100000747449 [1,1,0,0,0,0|2,0,0]=4 2130 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100000747449 [1,1,0,0,0,0|2,0,0]=4 2131 B14R1.10 COC(=O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100000747449 [1,1,0,0,0,0|2,0,0]=4 2132 B14R1.10 COC(=O)CN(C)c1ccc(cc1)F 2230a_100000219829_100000747449 [1,1,0,0,0,0|2,0,0]=4 2133 B14R1.10 COC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_100000747449 [1,1,0,0,0,0|2,0,0]=4 2134 B14R1.10 COC(=O)CN(C)c1ccc(cc1)F 34a_100000219829_100000747449 [1,1,0,0,0,0|2,0,0]=4 2135 B14R1.10 COC(=O)CN(C)c1ccc(cc1)I 2230a_100000743151_100000747449 [1,1,0,0,0,0|2,0,0]=4 2136 B14R1.10 COC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_100000747449 [1,1,0,0,0,0|2,0,0]=4 2137 B14R1.10 COC(=O)CN(C)c1ccc(cc1)I 34a_100000743151_100000747449 [1,1,0,0,0,0|2,0,0]=4 2138 B14R1.10 COC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100000747449 [1,1,0,0,0,0|2,0,0]=4 2139 B14R1.10 COC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100000747449 [1,1,0,0,0,0|2,0,0]=4 2140 B14R1.10 Cc1ccc(cc1)C(=O)CC(=O)CO 1458a_100000210174_100000211441 [1,1,0,0,0,0|1,0,0]=3 2141 B14R1.10 Cc1ccc(cn1)C(=O)CC(=O)CO 1458a_100000210174_100012027583 [1,1,0,0,0,0|2,0,0]=4 2142 B14R1.10 O=C(CO)CC(=O)c1ccc(cc1)Br 1458a_100000210174_100000188085 [1,1,0,0,0,0|1,0,0]=3 2143 B14R1.10 O=C(CO)CC(=O)c1ccc(cc1)Cl 1458a_100000210174_100000211071 [1,1,0,0,0,0|1,0,0]=3 2144 B14R1.10 O=C(CO)CC(=O)c1ccc(cc1)F 1458a_100000210174_100000211279 [1,1,0,0,0,0|1,0,0]=3 2145 B14R1.10 O=C(CO)CC(=O)c1ccc(cc1)I 1458a_100000210174_100011216261 [1,1,0,0,0,0|1,0,0]=3 2146 B14R1.10 O=C(CO)CC(=O)c1ccc(cc1)O 1458a_100000210174_100009814261 [1,1,0,0,0,0|1,0,0]=3 2147 B14R1.10 O=C(CO)CC(=O)c1ccc(cn1)Cl 1458a_100000210174_100016989621 [1,1,0,0,0,0|2,0,0]=4 2148 B14R1.10 O=C(CO)CC(=O)c1ccc(nc1)Cl 1458a_100000210174_100009864725 [1,1,0,0,0,0|2,0,0]=4 2149 B14R1.11 C#CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000211873_100000212080 [1,1,0,0,0,0|0,0,2]=4 2150 B14R1.11 C#CC(=O)CC(=O)c1cccc(c1)C 1458a_100000211873_100000739480 [1,1,0,0,0,0|0,0,2]=4 2151 B14R1.11 C#CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000211873_100000211444 [1,1,0,0,0,0|0,0,2]=4 2152 B14R1.11 C#CC(=O)CC(=O)c1cccc(c1)F 1458a_100000211873_100000215616 [1,1,0,0,0,0|0,0,2]=4 2153 B14R1.11 C#CC(=O)CC(=O)c1cccc(c1)O 1458a_100000211873_100009813753 [1,1,0,0,0,0|0,0,2]=4 2154 B14R1.11 C=CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000185746_100000212080 [1,1,0,0,0,0|0,0,2]=4 2155 B14R1.11 C=CC(=O)CC(=O)c1cccc(c1)C 1458a_100000185746_100000739480 [1,1,0,0,0,0|0,0,2]=4 2156 B14R1.11 C=CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000185746_100000211444 [1,1,0,0,0,0|0,0,2]=4 2157 B14R1.11 C=CC(=O)CC(=O)c1cccc(c1)F 1458a_100000185746_100000215616 [1,1,0,0,0,0|0,0,2]=4 2158 B14R1.11 C=CC(=O)CC(=O)c1cccc(c1)O 1458a_100000185746_100009813753 [1,1,0,0,0,0|0,0,2]=4 2159 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210414_100000212080 [1,1,0,0,0,0|0,0,0]=2 2160 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000747405 [1,1,0,0,0,0|0,0,0]=2 2161 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000747405 [1,1,0,0,0,0|0,0,0]=2 2162 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)C 1458a_100000210414_100000739480 [1,1,0,0,0,0|0,0,0]=2 2163 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000747405 [1,1,0,0,0,0|0,0,0]=2 2164 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210414_100000211444 [1,1,0,0,0,0|0,0,0]=2 2165 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)F 1458a_100000210414_100000215616 [1,1,0,0,0,0|0,0,0]=2 2166 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000747405 [1,1,0,0,0,0|0,0,0]=2 2167 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000747405 [1,1,0,0,0,0|0,0,0]=2 2168 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000747405 [1,1,0,0,0,0|0,0,0]=2 2169 B14R1.11 CCC(=O)CC(=O)c1cccc(c1)O 1458a_100000210414_100009813753 [1,1,0,0,0,0|0,0,0]=2 2170 B14R1.11 CCC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000210414_100009817076 [1,1,0,0,0,0|1,0,0]=3 2171 B14R1.11 CCC(=O)CN(C)c1cccc(c1)Br 269982a_100000219648_100000747405 [1,1,0,0,0,0|2,0,0]=4 2172 B14R1.11 CCC(=O)CN(C)c1cccc(c1)C 269982a_100000219674_100000747405 [1,1,0,0,0,0|2,0,0]=4 2173 B14R1.11 CCC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000747405 [1,1,0,0,0,0|2,0,0]=4 2174 B14R1.11 CCC(=O)CN(C)c1cccc(c1)F 269982a_100020633736_100000747405 [1,1,0,0,0,0|2,0,0]=4 2175 B14R1.11 CCC(=O)CN(C)c1cccc(c1)I 269982a_100000221217_100000747405 [1,1,0,0,0,0|2,0,0]=4 2176 B14R1.11 CCC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_100000747405 [1,1,0,0,0,0|2,0,0]=4 2177 B14R1.11 CCC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_100000210202 [1,1,0,0,0,0|0,0,2]=4 2178 B14R1.11 CCC(C)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000748023 [1,1,0,0,0,0|1,0,1]=4 2179 B14R1.11 CCC(C)CC(=O)c1cccc(c1)C 1458a_100000189346_100000748023 [1,1,0,0,0,0|1,0,1]=4 2180 B14R1.11 CCC(C)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000748023 [1,1,0,0,0,0|1,0,1]=4 2181 B14R1.11 CCC(C)CC(=O)c1cccc(c1)F 1458a_100000210950_100000748023 [1,1,0,0,0,0|1,0,1]=4 2182 B14R1.11 CCC(C)CC(=O)c1cccc(c1)I 1458a_100000184098_100000748023 [1,1,0,0,0,0|1,0,1]=4 2183 B14R1.11 CCC(C)CC(=O)c1cccc(c1)O 1458a_100000183914_100000748023 [1,1,0,0,0,0|1,0,1]=4 2184 B14R1.11 CCC(O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100011218378 [1,1,0,0,0,0|0,0,2]=4 2185 B14R1.11 CCC(O)CC(=O)c1cccc(c1)C 1458a_100000189346_100011218378 [1,1,0,0,0,0|0,0,2]=4 2186 B14R1.11 CCC(O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100011218378 [1,1,0,0,0,0|0,0,2]=4 2187 B14R1.11 CCC(O)CC(=O)c1cccc(c1)F 1458a_100000210950_100011218378 [1,1,0,0,0,0|0,0,2]=4 2188 B14R1.11 CCC(O)CC(=O)c1cccc(c1)I 1458a_100000184098_100011218378 [1,1,0,0,0,0|0,0,2]=4 2189 B14R1.11 CCC(O)CC(=O)c1cccc(c1)O 1458a_100000183914_100011218378 [1,1,0,0,0,0|0,0,2]=4 2190 B14R1.11 CCN(C)CC(=O)c1cccc(c1)Br 2230a_100000225621_100000212080 [1,1,0,0,0,0|2,0,0]=4 2191 B14R1.11 CCN(C)CC(=O)c1cccc(c1)Br 269982a_100000225621_100000212080 [1,1,0,0,0,0|2,0,0]=4 2192 B14R1.11 CCN(C)CC(=O)c1cccc(c1)C 2230a_100000225621_100000739480 [1,1,0,0,0,0|2,0,0]=4 2193 B14R1.11 CCN(C)CC(=O)c1cccc(c1)C 269982a_100000225621_100000739480 [1,1,0,0,0,0|2,0,0]=4 2194 B14R1.11 CCN(C)CC(=O)c1cccc(c1)Cl 2230a_100000225621_100000211444 [1,1,0,0,0,0|2,0,0]=4 2195 B14R1.11 CCN(C)CC(=O)c1cccc(c1)Cl 269982a_100000225621_100000211444 [1,1,0,0,0,0|2,0,0]=4 2196 B14R1.11 CCN(C)CC(=O)c1cccc(c1)F 2230a_100000225621_100000215616 [1,1,0,0,0,0|2,0,0]=4 2197 B14R1.11 CCN(C)CC(=O)c1cccc(c1)F 269982a_100000225621_100000215616 [1,1,0,0,0,0|2,0,0]=4 2198 B14R1.11 CCN(C)CC(=O)c1cccc(c1)O 269982a_100000225621_100009813753 [1,1,0,0,0,0|2,0,0]=4 2199 B14R1.11 CC[C@H](C)CC(=O)c1cccc(c1)Br 1458a_100000210664_100009816398 [1,1,0,0,0,0|1,0,1]=4 2200 B14R1.11 CC[C@H](C)CC(=O)c1cccc(c1)C 1458a_100000189346_100009816398 [1,1,0,0,0,0|1,0,1]=4 2201 B14R1.11 CC[C@H](C)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100009816398 [1,1,0,0,0,0|1,0,1]=4 2202 B14R1.11 CC[C@H](C)CC(=O)c1cccc(c1)F 1458a_100000210950_100009816398 [1,1,0,0,0,0|1,0,1]=4 2203 B14R1.11 CC[C@H](C)CC(=O)c1cccc(c1)I 1458a_100000184098_100009816398 [1,1,0,0,0,0|1,0,1]=4 2204 B14R1.11 CC[C@H](C)CC(=O)c1cccc(c1)O 1458a_100000183914_100009816398 [1,1,0,0,0,0|1,0,1]=4 2205 B14R1.11 CNC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000183359 [1,1,0,0,0,0|1,0,0]=3 2206 B14R1.11 CNC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000183359 [1,1,0,0,0,0|1,0,0]=3 2207 B14R1.11 CNC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000183359 [1,1,0,0,0,0|1,0,0]=3 2208 B14R1.11 CNC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000183359 [1,1,0,0,0,0|1,0,0]=3 2209 B14R1.11 CNC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000183359 [1,1,0,0,0,0|1,0,0]=3 2210 B14R1.11 CNC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000183359 [1,1,0,0,0,0|1,0,0]=3 2211 B14R1.11 COC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000747449 [1,1,0,0,0,0|0,0,0]=2 2212 B14R1.11 COC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000747449 [1,1,0,0,0,0|0,0,0]=2 2213 B14R1.11 COC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000747449 [1,1,0,0,0,0|0,0,0]=2 2214 B14R1.11 COC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000747449 [1,1,0,0,0,0|0,0,0]=2 2215 B14R1.11 COC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000747449 [1,1,0,0,0,0|0,0,0]=2 2216 B14R1.11 COC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000747449 [1,1,0,0,0,0|0,0,0]=2 2217 B14R1.11 COC(=O)CC(=O)c1cccc(c1)O 271570a_203496583355_100012340505 [1,1,0,0,0,0|0,0,0]=2 2218 B14R1.11 COC(=O)CC(=O)c1cncc(c1)O 271570a_203496583355_100009813722 [1,1,0,0,0,0|1,0,0]=3 2219 B14R1.11 COC(=O)CN(C)c1cccc(c1)Br 2230a_100000219648_100000747449 [1,1,0,0,0,0|2,0,0]=4 2220 B14R1.11 COC(=O)CN(C)c1cccc(c1)Br 269982a_100000219648_100000747449 [1,1,0,0,0,0|2,0,0]=4 2221 B14R1.11 COC(=O)CN(C)c1cccc(c1)Br 34a_100000219648_100000747449 [1,1,0,0,0,0|2,0,0]=4 2222 B14R1.11 COC(=O)CN(C)c1cccc(c1)C 2230a_100000219674_100000747449 [1,1,0,0,0,0|2,0,0]=4 2223 B14R1.11 COC(=O)CN(C)c1cccc(c1)C 269982a_100000219674_100000747449 [1,1,0,0,0,0|2,0,0]=4 2224 B14R1.11 COC(=O)CN(C)c1cccc(c1)C 34a_100000219674_100000747449 [1,1,0,0,0,0|2,0,0]=4 2225 B14R1.11 COC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100000747449 [1,1,0,0,0,0|2,0,0]=4 2226 B14R1.11 COC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100000747449 [1,1,0,0,0,0|2,0,0]=4 2227 B14R1.11 COC(=O)CN(C)c1cccc(c1)Cl 34a_100000220044_100000747449 [1,1,0,0,0,0|2,0,0]=4 2228 B14R1.11 COC(=O)CN(C)c1cccc(c1)F 2230a_100020633736_100000747449 [1,1,0,0,0,0|2,0,0]=4 2229 B14R1.11 COC(=O)CN(C)c1cccc(c1)F 269982a_100020633736_100000747449 [1,1,0,0,0,0|2,0,0]=4 2230 B14R1.11 COC(=O)CN(C)c1cccc(c1)F 34a_100020633736_100000747449 [1,1,0,0,0,0|2,0,0]=4 2231 B14R1.11 COC(=O)CN(C)c1cccc(c1)I 2230a_100000221217_100000747449 [1,1,0,0,0,0|2,0,0]=4 2232 B14R1.11 COC(=O)CN(C)c1cccc(c1)I 269982a_100000221217_100000747449 [1,1,0,0,0,0|2,0,0]=4 2233 B14R1.11 COC(=O)CN(C)c1cccc(c1)I 34a_100000221217_100000747449 [1,1,0,0,0,0|2,0,0]=4 2234 B14R1.11 COC(=O)CN(C)c1cccc(c1)O 2230a_100000756613_100000747449 [1,1,0,0,0,0|2,0,0]=4 2235 B14R1.11 COC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_100000747449 [1,1,0,0,0,0|2,0,0]=4 2236 B14R1.11 COC(=O)CN(C)c1cccc(c1)O 34a_100000756613_100000747449 [1,1,0,0,0,0|2,0,0]=4 2237 B14R1.11 COC(=O)C[C@@H](N)c1cccc(c1)O 271570a_203496583355_100000700175 [1,1,0,0,0,0|1,0,1]=4 2238 B14R1.11 Cc1cccc(c1)C(=O)CC(=O)CO 1458a_100000210174_100000739480 [1,1,0,0,0,0|1,0,0]=3 2239 B14R1.11 O=C(CO)CC(=O)c1cccc(c1)Br 1458a_100000210174_100000212080 [1,1,0,0,0,0|1,0,0]=3 2240 B14R1.11 O=C(CO)CC(=O)c1cccc(c1)Cl 1458a_100000210174_100000211444 [1,1,0,0,0,0|1,0,0]=3 2241 B14R1.11 O=C(CO)CC(=O)c1cccc(c1)F 1458a_100000210174_100000215616 [1,1,0,0,0,0|1,0,0]=3 2242 B14R1.11 O=C(CO)CC(=O)c1cccc(c1)O 1458a_100000210174_100009813753 [1,1,0,0,0,0|1,0,0]=3 2243 B14R1.11 O=C(CO)CC(=O)c1ccnc(c1)Cl 1458a_100000210174_100009817076 [1,1,0,0,0,0|2,0,0]=4 2244 B14R1.58 CCC(CC)CC(=O)c1ccccc1 1458a_100000185807_100011215472 [1,1,0,0,0,0|1,0,1]=4 2245 B14R1.58 CCN(CC)CC(=O)c1ccccc1 269956a_100000042499_100000211460 [1,1,0,0,0,0|2,0,0]=4 2246 B14R1.58 CCN(CC)CC(=O)c1ccccc1 269982a_100000724800_100000211460 [1,1,0,0,0,0|2,0,0]=4 2247 B14R1.58 COC(CC(=O)c1ccccc1)OC 1458a_100000185807_100000751394 [1,1,0,0,0,0|0,0,2]=4 2248 B14R1.85 C#CC(=O)C(C)C(=O)c1ccccc1 1458a_100000211873_100000239700 [1,1,0,0,0,0|0,0,2]=4 2249 B14R1.85 C=CC(=O)C(C)C(=O)c1ccccc1 1458a_100000185746_100000239700 [1,1,0,0,0,0|0,0,2]=4 2250 B14R1.85 CC(C(=O)CO)C(=O)c1ccccc1 1458a_100000210174_100000239700 [1,1,0,0,0,0|1,0,0]=3 2251 B14R1.85 CCC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000742827 [1,1,0,0,0,0|0,0,0]=2 2252 B14R1.85 CCC(=O)C(C)C(=O)c1ccccc1 1458a_100000210414_100000239700 [1,1,0,0,0,0|0,0,0]=2 2253 B14R1.85 CCC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100000742827 [1,1,0,0,0,0|2,0,0]=4 2254 B14R1.85 CCC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100000742827 [1,1,0,0,0,0|2,0,0]=4 2255 B14R1.85 CCN(C)C(C)C(=O)c1ccccc1 2230a_100000225621_100000239700 [1,1,0,0,0,0|2,0,0]=4 2256 B14R1.85 CCN(C)C(C)C(=O)c1ccccc1 269982a_100000225621_100000239700 [1,1,0,0,0,0|2,0,0]=4 2257 B14R1.85 CNC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000209862 [1,1,0,0,0,0|1,0,0]=3 2258 B14R1.85 CNC(=O)C(F)C(=O)c1ccccc1 1458a_100000185807_100009813575 [1,1,0,0,0,0|1,0,0]=3 2259 B14R1.85 COC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000211248 [1,1,0,0,0,0|0,0,0]=2 2260 B14R1.85 COC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100000211248 [1,1,0,0,0,0|2,0,0]=4 2261 B14R1.85 COC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100000211248 [1,1,0,0,0,0|2,0,0]=4 2262 B14R1.85 COC(=O)C(C)N(C)c1ccccc1 34a_100000210012_100000211248 [1,1,0,0,0,0|2,0,0]=4 2263 B14R1.290 CCS(=O)(=O)NC(=O)c1ccccc1 2740a_100000171174_100000185807 [1,1,0,0,0,0|2,0,0]=4 2264 B14R1.415 C=C(C)C(=O)CC(=O)c1ccccc1 1458a_100000185857_100000211460 [1,1,0,0,0,0|0,0,1]=3 2265 B14R1.415 C=C(C)C(=O)CC(=O)c1ccccn1 1458a_100000185857_100000027445 [1,1,0,0,0,0|1,0,1]=4 2266 B14R1.415 C=C(C)C(=O)CC(=O)c1cccnc1 1458a_100000185857_100015188593 [1,1,0,0,0,0|1,0,1]=4 2267 B14R1.415 C=C(C)C(=O)CC(=O)c1ccncc1 1458a_100000185857_100000027454 [1,1,0,0,0,0|1,0,1]=4 2268 B14R1.415 CC(=CC(=O)C(C)C)c1ccccc1 1458a_100000743005_100000210206 [1,1,0,0,0,0|1,0,1]=4 2269 B14R1.415 CC(=O)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100011261029 [1,1,0,0,0,0|0,0,1]=3 2270 B14R1.415 CC(C)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100000753385 [1,1,0,0,0,0|0,0,0]=2 2271 B14R1.415 CC(C)C(=O)CC(=O)c1ccccc1 1458a_100000210198_100000211460 [1,1,0,0,0,0|0,0,0]=2 2272 B14R1.415 CC(C)C(=O)CC(=O)c1ccccn1 1458a_100000210198_100000027445 [1,1,0,0,0,0|1,0,0]=3 2273 B14R1.415 CC(C)C(=O)CC(=O)c1cccnc1 1458a_100000210198_100015188593 [1,1,0,0,0,0|1,0,0]=3 2274 B14R1.415 CC(C)C(=O)CC(=O)c1ccncc1 1458a_100000210198_100000027454 [1,1,0,0,0,0|1,0,0]=3 2275 B14R1.415 CC(C)C(=O)CC(=O)c1ncccn1 1458a_100000210198_100020636365 [1,1,0,0,0,0|2,0,0]=4 2276 B14R1.415 CC(C)C(=O)CC(C)c1ccccc1 1458a_100000183687_100000210206 [1,1,0,0,0,0|1,0,1]=4 2277 B14R1.415 CC(C)C(=O)CC(C)c1ccccc1 1458a_100000210198_100000756946 [1,1,0,0,0,0|1,0,1]=4 2278 B14R1.415 CC(C)C(=O)CC(O)c1ccccc1 1458a_100000210198_100000185958 [1,1,0,0,0,0|0,0,2]=4 2279 B14R1.415 CC(C)C(=O)CC(O)c1ccccc1 1458a_100000690199_100000210206 [1,1,0,0,0,0|0,0,2]=4 2280 B14R1.415 CC(C)C(=O)CN(C)c1ccccc1 1458a_100000745425_100000210206 [1,1,0,0,0,0|2,0,0]=4 2281 B14R1.415 CC(C)C(=O)CN(C)c1ccccc1 2230a_100000210012_100000753385 [1,1,0,0,0,0|2,0,0]=4 2282 B14R1.415 CC(C)C(=O)CN(C)c1ccccc1 269982a_100000210012_100000753385 [1,1,0,0,0,0|2,0,0]=4 2283 B14R1.415 CC(C)C(=O)CN(C)c1ccccc1 34a_100000210012_100000753385 [1,1,0,0,0,0|2,0,0]=4 2284 B14R1.415 CC(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100000210198_100011933945 [1,1,0,0,0,0|0,0,2]=4 2285 B14R1.415 CC(C)N(C)CC(=O)c1ccccc1 269982a_200000211004_100000211460 [1,1,0,0,0,0|2,0,0]=4 2286 B14R1.415 CC(CC(=O)[C@@H](C)O)c1ccccc1 1458a_100000717761_100000756946 [1,1,0,0,0,0|1,0,1]=4 2287 B14R1.415 CC(CC(=O)[C@H](C)O)c1ccccc1 1458a_217856618621_100000756946 [1,1,0,0,0,0|1,0,1]=4 2288 B14R1.415 CC(F)C(=O)CC(=O)c1ccccc1 1458a_100000062450_100000211460 [1,1,0,0,0,0|0,0,0]=2 2289 B14R1.415 CC(F)C(=O)CC(=O)c1ccccn1 1458a_100000062450_100000027445 [1,1,0,0,0,0|1,0,0]=3 2290 B14R1.415 CC(F)C(=O)CC(=O)c1cccnc1 1458a_100000062450_100015188593 [1,1,0,0,0,0|1,0,0]=3 2291 B14R1.415 CC(F)C(=O)CC(=O)c1ccncc1 1458a_100000062450_100000027454 [1,1,0,0,0,0|1,0,0]=3 2292 B14R1.415 CC(F)C(=O)CC(=O)c1ncccn1 1458a_100000062450_100020636365 [1,1,0,0,0,0|2,0,0]=4 2293 B14R1.415 CC(F)C(=O)CC(C)c1ccccc1 1458a_100000062450_100000756946 [1,1,0,0,0,0|1,0,1]=4 2294 B14R1.415 CC(F)C(=O)CC(O)c1ccccc1 1458a_100000062450_100000185958 [1,1,0,0,0,0|0,0,2]=4 2295 B14R1.415 CC(F)C(=O)C[C@@H](O)c1ccccc1 1458a_100000062450_100011933945 [1,1,0,0,0,0|0,0,2]=4 2296 B14R1.415 CN(C)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100000185267 [1,1,0,0,0,0|1,0,0]=3 2297 B14R1.415 C[C@@H](O)C(=O)CC(=O)c1ccccc1 1458a_100000717761_100000211460 [1,1,0,0,0,0|0,0,0]=2 2298 B14R1.415 C[C@@H](O)C(=O)CC(=O)c1ccccn1 1458a_100000717761_100000027445 [1,1,0,0,0,0|1,0,0]=3 2299 B14R1.415 C[C@@H](O)C(=O)CC(=O)c1cccnc1 1458a_100000717761_100015188593 [1,1,0,0,0,0|1,0,0]=3 2300 B14R1.415 C[C@@H](O)C(=O)CC(=O)c1ccncc1 1458a_100000717761_100000027454 [1,1,0,0,0,0|1,0,0]=3 2301 B14R1.415 C[C@@H](O)C(=O)CC(=O)c1ncccn1 1458a_100000717761_100020636365 [1,1,0,0,0,0|2,0,0]=4 2302 B14R1.415 C[C@@H](O)C(=O)CC(O)c1ccccc1 1458a_100000717761_100000185958 [1,1,0,0,0,0|0,0,2]=4 2303 B14R1.415 C[C@@H](O)C(=O)C[C@@H](O)c1ccccc1 1458a_100000717761_100011933945 [1,1,0,0,0,0|0,0,2]=4 2304 B14R1.415 C[C@H](O)C(=O)CC(=O)c1ccccc1 1458a_217856618621_100000211460 [1,1,0,0,0,0|0,0,0]=2 2305 B14R1.415 C[C@H](O)C(=O)CC(=O)c1ccccn1 1458a_217856618621_100000027445 [1,1,0,0,0,0|1,0,0]=3 2306 B14R1.415 C[C@H](O)C(=O)CC(=O)c1cccnc1 1458a_217856618621_100015188593 [1,1,0,0,0,0|1,0,0]=3 2307 B14R1.415 C[C@H](O)C(=O)CC(=O)c1ccncc1 1458a_217856618621_100000027454 [1,1,0,0,0,0|1,0,0]=3 2308 B14R1.415 C[C@H](O)C(=O)CC(=O)c1ncccn1 1458a_217856618621_100020636365 [1,1,0,0,0,0|2,0,0]=4 2309 B14R1.415 C[C@H](O)C(=O)CC(O)c1ccccc1 1458a_217856618621_100000185958 [1,1,0,0,0,0|0,0,2]=4 2310 B14R1.415 C[C@H](O)C(=O)C[C@@H](O)c1ccccc1 1458a_217856618621_100011933945 [1,1,0,0,0,0|0,0,2]=4 2311 B14R1.415 O=C(CC(=O)C(O)O)c1ccccc1 1458a_100000233687_100000211460 [1,1,0,0,0,0|1,0,0]=3 2312 B14R1.415 O=C(CC(=O)C(O)O)c1ccccn1 1458a_100000233687_100000027445 [1,1,0,0,0,0|2,0,0]=4 2313 B14R1.415 O=C(CC(=O)C(O)O)c1cccnc1 1458a_100000233687_100015188593 [1,1,0,0,0,0|2,0,0]=4 2314 B14R1.415 O=C(CC(=O)C(O)O)c1ccncc1 1458a_100000233687_100000027454 [1,1,0,0,0,0|2,0,0]=4 2315 B14R1.587 C#CC(=O)CC(=O)c1ccccc1Br 1458a_100000211873_100000199116 [1,1,0,0,0,0|0,0,2]=4 2316 B14R1.587 C#CC(=O)CC(=O)c1ccccc1C 1458a_100000211873_100000741374 [1,1,0,0,0,0|0,0,2]=4 2317 B14R1.587 C#CC(=O)CC(=O)c1ccccc1Cl 1458a_100000211873_100000211432 [1,1,0,0,0,0|0,0,2]=4 2318 B14R1.587 C#CC(=O)CC(=O)c1ccccc1F 1458a_100000211873_100000204681 [1,1,0,0,0,0|0,0,2]=4 2319 B14R1.587 C#CC(=O)CC(=O)c1ccccc1O 1458a_100000211873_100000188908 [1,1,0,0,0,0|0,0,2]=4 2320 B14R1.587 C=CC(=O)CC(=O)c1ccccc1Br 1458a_100000185746_100000199116 [1,1,0,0,0,0|0,0,2]=4 2321 B14R1.587 C=CC(=O)CC(=O)c1ccccc1C 1458a_100000185746_100000741374 [1,1,0,0,0,0|0,0,2]=4 2322 B14R1.587 C=CC(=O)CC(=O)c1ccccc1Cl 1458a_100000185746_100000211432 [1,1,0,0,0,0|0,0,2]=4 2323 B14R1.587 C=CC(=O)CC(=O)c1ccccc1F 1458a_100000185746_100000204681 [1,1,0,0,0,0|0,0,2]=4 2324 B14R1.587 C=CC(=O)CC(=O)c1ccccc1O 1458a_100000185746_100000188908 [1,1,0,0,0,0|0,0,2]=4 2325 B14R1.587 CCC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000747405 [1,1,0,0,0,0|0,0,0]=2 2326 B14R1.587 CCC(=O)CC(=O)c1ccccc1Br 1458a_100000210414_100000199116 [1,1,0,0,0,0|0,0,0]=2 2327 B14R1.587 CCC(=O)CC(=O)c1ccccc1C 1458a_100000210414_100000741374 [1,1,0,0,0,0|0,0,0]=2 2328 B14R1.587 CCC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000747405 [1,1,0,0,0,0|0,0,0]=2 2329 B14R1.587 CCC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000747405 [1,1,0,0,0,0|0,0,0]=2 2330 B14R1.587 CCC(=O)CC(=O)c1ccccc1Cl 1458a_100000210414_100000211432 [1,1,0,0,0,0|0,0,0]=2 2331 B14R1.587 CCC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000747405 [1,1,0,0,0,0|0,0,0]=2 2332 B14R1.587 CCC(=O)CC(=O)c1ccccc1F 1458a_100000210414_100000204681 [1,1,0,0,0,0|0,0,0]=2 2333 B14R1.587 CCC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000747405 [1,1,0,0,0,0|0,0,0]=2 2334 B14R1.587 CCC(=O)CC(=O)c1ccccc1O 1458a_100000210414_100000188908 [1,1,0,0,0,0|0,0,0]=2 2335 B14R1.587 CCC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000747405 [1,1,0,0,0,0|0,0,0]=2 2336 B14R1.587 CCC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000747405 [1,1,0,0,0,0|0,0,0]=2 2337 B14R1.587 CCC(=O)CC(C)c1ccccc1Br 1458a_100000743458_100000210202 [1,1,0,0,0,0|1,0,1]=4 2338 B14R1.587 CCC(=O)CC(C)c1ccccc1Cl 1458a_100012184337_100000210202 [1,1,0,0,0,0|1,0,1]=4 2339 B14R1.587 CCC(=O)CN(C)c1ccccc1Br 269982a_100020606079_100000747405 [1,1,0,0,0,0|2,0,0]=4 2340 B14R1.587 CCC(=O)CN(C)c1ccccc1C 269982a_100000219699_100000747405 [1,1,0,0,0,0|2,0,0]=4 2341 B14R1.587 CCC(=O)CN(C)c1ccccc1Cl 269982a_100000219374_100000747405 [1,1,0,0,0,0|2,0,0]=4 2342 B14R1.587 CCC(=O)CN(C)c1ccccc1F 269982a_100000220357_100000747405 [1,1,0,0,0,0|2,0,0]=4 2343 B14R1.587 CCC(=O)CN(C)c1ccccc1O 269982a_100000033821_100000747405 [1,1,0,0,0,0|2,0,0]=4 2344 B14R1.587 CCC(C)CC(=O)c1ccccc1Br 1458a_100000188424_100000748023 [1,1,0,0,0,0|1,0,1]=4 2345 B14R1.587 CCC(C)CC(=O)c1ccccc1C 1458a_100000212026_100000748023 [1,1,0,0,0,0|1,0,1]=4 2346 B14R1.587 CCC(C)CC(=O)c1ccccc1Cl 1458a_100000185844_100000748023 [1,1,0,0,0,0|1,0,1]=4 2347 B14R1.587 CCC(C)CC(=O)c1ccccc1F 1458a_100000188656_100000748023 [1,1,0,0,0,0|1,0,1]=4 2348 B14R1.587 CCC(C)CC(=O)c1ccccc1I 1458a_100000187884_100000748023 [1,1,0,0,0,0|1,0,1]=4 2349 B14R1.587 CCC(C)CC(=O)c1ccccc1O 1458a_100015234032_100000748023 [1,1,0,0,0,0|1,0,1]=4 2350 B14R1.587 CCC(C)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000748023 [1,1,0,0,0,0|1,0,1]=4 2351 B14R1.587 CCC(O)CC(=O)c1ccccc1Br 1458a_100000188424_100011218378 [1,1,0,0,0,0|0,0,2]=4 2352 B14R1.587 CCC(O)CC(=O)c1ccccc1C 1458a_100000212026_100011218378 [1,1,0,0,0,0|0,0,2]=4 2353 B14R1.587 CCC(O)CC(=O)c1ccccc1Cl 1458a_100000185844_100011218378 [1,1,0,0,0,0|0,0,2]=4 2354 B14R1.587 CCC(O)CC(=O)c1ccccc1F 1458a_100000188656_100011218378 [1,1,0,0,0,0|0,0,2]=4 2355 B14R1.587 CCC(O)CC(=O)c1ccccc1I 1458a_100000187884_100011218378 [1,1,0,0,0,0|0,0,2]=4 2356 B14R1.587 CCC(O)CC(=O)c1ccccc1O 1458a_100015234032_100011218378 [1,1,0,0,0,0|0,0,2]=4 2357 B14R1.587 CCC(O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100011218378 [1,1,0,0,0,0|0,0,2]=4 2358 B14R1.587 CCN(C)CC(=O)c1ccccc1Br 269982a_100000225621_100000199116 [1,1,0,0,0,0|2,0,0]=4 2359 B14R1.587 CCN(C)CC(=O)c1ccccc1C 2230a_100000225621_100000741374 [1,1,0,0,0,0|2,0,0]=4 2360 B14R1.587 CCN(C)CC(=O)c1ccccc1C 269982a_100000225621_100000741374 [1,1,0,0,0,0|2,0,0]=4 2361 B14R1.587 CCN(C)CC(=O)c1ccccc1Cl 269982a_100000225621_100000211432 [1,1,0,0,0,0|2,0,0]=4 2362 B14R1.587 CCN(C)CC(=O)c1ccccc1F 269982a_100000225621_100000204681 [1,1,0,0,0,0|2,0,0]=4 2363 B14R1.587 CCN(C)CC(=O)c1ccccc1O 269982a_100000225621_100000188908 [1,1,0,0,0,0|2,0,0]=4 2364 B14R1.587 CC[C@H](C)CC(=O)c1ccccc1Br 1458a_100000188424_100009816398 [1,1,0,0,0,0|1,0,1]=4 2365 B14R1.587 CC[C@H](C)CC(=O)c1ccccc1C 1458a_100000212026_100009816398 [1,1,0,0,0,0|1,0,1]=4 2366 B14R1.587 CC[C@H](C)CC(=O)c1ccccc1Cl 1458a_100000185844_100009816398 [1,1,0,0,0,0|1,0,1]=4 2367 B14R1.587 CC[C@H](C)CC(=O)c1ccccc1F 1458a_100000188656_100009816398 [1,1,0,0,0,0|1,0,1]=4 2368 B14R1.587 CC[C@H](C)CC(=O)c1ccccc1I 1458a_100000187884_100009816398 [1,1,0,0,0,0|1,0,1]=4 2369 B14R1.587 CC[C@H](C)CC(=O)c1ccccc1O 1458a_100015234032_100009816398 [1,1,0,0,0,0|1,0,1]=4 2370 B14R1.587 CC[C@H](C)CC(=O)c1ccccc1[O-] 1458a_100009911694_100009816398 [1,1,0,0,0,0|1,0,1]=4 2371 B14R1.587 CNC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000183359 [1,1,0,0,0,0|1,0,0]=3 2372 B14R1.587 CNC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000183359 [1,1,0,0,0,0|1,0,0]=3 2373 B14R1.587 CNC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000183359 [1,1,0,0,0,0|1,0,0]=3 2374 B14R1.587 CNC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000183359 [1,1,0,0,0,0|1,0,0]=3 2375 B14R1.587 CNC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000183359 [1,1,0,0,0,0|1,0,0]=3 2376 B14R1.587 CNC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000183359 [1,1,0,0,0,0|1,0,0]=3 2377 B14R1.587 CNC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000183359 [1,1,0,0,0,0|1,0,0]=3 2378 B14R1.587 COC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000747449 [1,1,0,0,0,0|0,0,0]=2 2379 B14R1.587 COC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000747449 [1,1,0,0,0,0|0,0,0]=2 2380 B14R1.587 COC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000747449 [1,1,0,0,0,0|0,0,0]=2 2381 B14R1.587 COC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000747449 [1,1,0,0,0,0|0,0,0]=2 2382 B14R1.587 COC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000747449 [1,1,0,0,0,0|0,0,0]=2 2383 B14R1.587 COC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000747449 [1,1,0,0,0,0|0,0,0]=2 2384 B14R1.587 COC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000747449 [1,1,0,0,0,0|0,0,0]=2 2385 B14R1.587 COC(=O)CN(C)c1ccccc1Br 2230a_100020606079_100000747449 [1,1,0,0,0,0|2,0,0]=4 2386 B14R1.587 COC(=O)CN(C)c1ccccc1Br 269982a_100020606079_100000747449 [1,1,0,0,0,0|2,0,0]=4 2387 B14R1.587 COC(=O)CN(C)c1ccccc1Br 34a_100020606079_100000747449 [1,1,0,0,0,0|2,0,0]=4 2388 B14R1.587 COC(=O)CN(C)c1ccccc1C 2230a_100000219699_100000747449 [1,1,0,0,0,0|2,0,0]=4 2389 B14R1.587 COC(=O)CN(C)c1ccccc1C 269982a_100000219699_100000747449 [1,1,0,0,0,0|2,0,0]=4 2390 B14R1.587 COC(=O)CN(C)c1ccccc1C 34a_100000219699_100000747449 [1,1,0,0,0,0|2,0,0]=4 2391 B14R1.587 COC(=O)CN(C)c1ccccc1Cl 2230a_100000219374_100000747449 [1,1,0,0,0,0|2,0,0]=4 2392 B14R1.587 COC(=O)CN(C)c1ccccc1Cl 269982a_100000219374_100000747449 [1,1,0,0,0,0|2,0,0]=4 2393 B14R1.587 COC(=O)CN(C)c1ccccc1Cl 34a_100000219374_100000747449 [1,1,0,0,0,0|2,0,0]=4 2394 B14R1.587 COC(=O)CN(C)c1ccccc1F 2230a_100000220357_100000747449 [1,1,0,0,0,0|2,0,0]=4 2395 B14R1.587 COC(=O)CN(C)c1ccccc1F 269982a_100000220357_100000747449 [1,1,0,0,0,0|2,0,0]=4 2396 B14R1.587 COC(=O)CN(C)c1ccccc1F 34a_100000220357_100000747449 [1,1,0,0,0,0|2,0,0]=4 2397 B14R1.587 COC(=O)CN(C)c1ccccc1F 38a_100000220357_100000747449 [1,1,0,0,0,0|2,0,0]=4 2398 B14R1.587 COC(=O)CN(C)c1ccccc1O 269982a_100000033821_100000747449 [1,1,0,0,0,0|2,0,0]=4 2399 B14R1.587 Cc1ccccc1C(=O)CC(=O)CO 1458a_100000210174_100000741374 [1,1,0,0,0,0|1,0,0]=3 2400 B14R1.587 O=C(CO)CC(=O)c1ccccc1Br 1458a_100000210174_100000199116 [1,1,0,0,0,0|1,0,0]=3 2401 B14R1.587 O=C(CO)CC(=O)c1ccccc1Cl 1458a_100000210174_100000211432 [1,1,0,0,0,0|1,0,0]=3 2402 B14R1.587 O=C(CO)CC(=O)c1ccccc1F 1458a_100000210174_100000204681 [1,1,0,0,0,0|1,0,0]=3 2403 B14R1.587 O=C(CO)CC(=O)c1ccccc1O 1458a_100000210174_100000188908 [1,1,0,0,0,0|1,0,0]=3 2404 B14R1.741 CCC(=O)CC(C)(C)c1ccccc1 1458a_100011409233_100000210202 [1,1,0,0,0,0|1,0,1]=4 2405 B14R1.741 CCC(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_100000210202 [1,1,0,0,0,0|1,0,0]=3 2406 B14R1.741 CCC(=O)CS(=O)(=O)c1ccccc1 1458a_100000210414_100000240042 [1,1,0,0,0,0|1,0,0]=3 2407 B14R1.741 CCC(=O)C[Si](C)(C)c1ccccc1 1458a_100000210414_100000038972 [1,1,0,0,0,0|1,1,0]=4 2408 B14R1.741 CCC(=O)NS(=O)(=O)c1ccccc1 2740a_100000164509_100000210414 [1,1,0,0,0,0|2,0,0]=4 2409 B14R1.741 CNC(=O)CS(=O)(=O)c1ccccc1 11a_106832991635_100000187771 [1,1,0,0,0,0|2,0,0]=4 2410 B14R1.741 CNC(=O)CS(=O)(=O)c1ccccc1 1626a_100102657272_100000187771 [1,1,0,0,0,0|2,0,0]=4 2411 B14R1.741 CNC(=O)CS(=O)(=O)c1ccccc1 240690a_100102657272_100000187771 [1,1,0,0,0,0|2,0,0]=4 2412 B14R1.741 CNC(=O)CS(=O)(=O)c1ccccc1 527a_100102657272_100000187771 [1,1,0,0,0,0|2,0,0]=4 2413 B14R1.741 O=C(CF)CS(=O)(=O)c1ccccc1 1458a_100000187771_100015361967 [1,1,0,0,0,0|2,0,0]=4 2414 B14R1.741 O=C(CO)CS(=O)(=O)c1ccccc1 1458a_100000210174_100000240042 [1,1,0,0,0,0|2,0,0]=4 2415 B14R1.3297 CCC(=O)CC(C#N)c1ccccc1 1458a_200000079825_100000210202 [1,1,0,0,0,0|1,0,1]=4 2416 B14R1.3297 CCC(=O)CC(CO)c1ccccc1 1458a_106726389045_100000210202 [1,1,0,0,0,0|0,0,2]=4 2417 B14R1.3297 CCC(=O)CN(CC)c1ccccc1 269982a_100000210013_100000747405 [1,1,0,0,0,0|2,0,0]=4 2418 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 2230a_100000210013_100000747449 [1,1,0,0,0,0|2,0,0]=4 2419 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 2230a_100000757779_100000210202 [1,1,0,0,0,0|2,0,0]=4 2420 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 269982a_100000210013_100000747449 [1,1,0,0,0,0|2,0,0]=4 2421 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 269982a_100000757779_100000204670 [1,1,0,0,0,0|2,0,0]=4 2422 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 34a_100000210013_100000747449 [1,1,0,0,0,0|2,0,0]=4 2423 B14R1.3297 COC(=O)CN(CF)c1ccccc1 269982a_100000757779_100015361967 [1,1,0,0,0,0|2,0,0]=4 2424 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)Br 1458a_100000185839_100103147603 [1,1,0,0,0,0|1,0,0]=3 2425 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)C 1458a_100000188618_100103147603 [1,1,0,0,0,0|1,0,0]=3 2426 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100103147603 [1,1,0,0,0,0|1,0,0]=3 2427 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)F 1458a_100000187176_100103147603 [1,1,0,0,0,0|1,0,0]=3 2428 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)I 1458a_100000187904_100103147603 [1,1,0,0,0,0|1,0,0]=3 2429 B14R1.19 CC/C=C\CC(=O)c1ccc(cc1)O 1458a_100000212099_100103147603 [1,1,0,0,0,0|1,0,0]=3 2430 B14R1.19 CCC#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100009813939 [1,1,0,0,0,0|1,0,1]=4 2431 B14R1.19 CCC#CCC(=O)c1ccc(cc1)C 1458a_100000188618_100009813939 [1,1,0,0,0,0|1,0,1]=4 2432 B14R1.19 CCC#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100009813939 [1,1,0,0,0,0|1,0,1]=4 2433 B14R1.19 CCC#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100009813939 [1,1,0,0,0,0|1,0,1]=4 2434 B14R1.19 CCC#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100009813939 [1,1,0,0,0,0|1,0,1]=4 2435 B14R1.19 CCC#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100009813939 [1,1,0,0,0,0|1,0,1]=4 2436 B14R1.19 CCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210326 [1,1,0,0,0,0|1,0,1]=4 2437 B14R1.19 CCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210326 [1,1,0,0,0,0|1,0,1]=4 2438 B14R1.19 CCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210326 [1,1,0,0,0,0|1,0,1]=4 2439 B14R1.19 CCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210326 [1,1,0,0,0,0|1,0,1]=4 2440 B14R1.19 CCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210326 [1,1,0,0,0,0|1,0,1]=4 2441 B14R1.19 CCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210326 [1,1,0,0,0,0|1,0,1]=4 2442 B14R1.19 CCCCCC(=O)c1ccc(cc1)O 271570a_203496583355_200011267725 [1,1,0,0,0,0|1,0,1]=4 2443 B14R1.19 CCCOCC(=O)c1ccc(cc1)Br 34a_100000210258_100000188085 [1,1,0,0,0,0|2,0,0]=4 2444 B14R1.19 CCCOCC(=O)c1ccc(cc1)C 34a_100000210258_100000211441 [1,1,0,0,0,0|2,0,0]=4 2445 B14R1.19 CCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000210303 [1,1,0,0,0,0|2,0,0]=4 2446 B14R1.19 CCCOCC(=O)c1ccc(cc1)I 34a_100000210258_100011216261 [1,1,0,0,0,0|2,0,0]=4 2447 B14R1.19 CCCOCC(=O)c1ccc(cc1)O 34a_100000210258_100009814261 [1,1,0,0,0,0|2,0,0]=4 2448 B14R1.19 CCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210303 [1,1,0,0,0,0|2,0,0]=4 2449 B14R1.19 CCCSCC(=O)c1ccc(cc1)C 62a_100000210303_100000211441 [1,1,0,0,0,0|2,0,0]=4 2450 B14R1.19 CCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000210303 [1,1,0,0,0,0|2,0,0]=4 2451 B14R1.19 CCCSCC(=O)c1ccc(cc1)Cl 62a_100000210303_100000211071 [1,1,0,0,0,0|2,0,0]=4 2452 B14R1.19 CCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210303 [1,1,0,0,0,0|2,0,0]=4 2453 B14R1.19 CCCSCC(=O)c1ccc(cc1)F 62a_100000210303_100000211279 [1,1,0,0,0,0|2,0,0]=4 2454 B14R1.19 CCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000210303 [1,1,0,0,0,0|2,0,0]=4 2455 B14R1.19 CCCSCC(=O)c1ccc(cc1)I 62a_100000210303_100011216261 [1,1,0,0,0,0|2,0,0]=4 2456 B14R1.19 CCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000210303 [1,1,0,0,0,0|2,0,0]=4 2457 B14R1.19 CCCSCC(=O)c1ccc(cc1)O 62a_100000210303_100009814261 [1,1,0,0,0,0|2,0,0]=4 2458 B14R1.19 CCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210303 [1,1,0,0,0,0|2,0,0]=4 2459 B14R1.19 CCNCCC(=O)c1ccc(cc1)C 2230a_100015525214_100000701375 [1,1,0,0,0,0|1,0,1]=4 2460 B14R1.19 CCNCCC(=O)c1ccc(cc1)F 2230a_100015525214_100000211231 [1,1,0,0,0,0|1,0,1]=4 2461 B14R1.19 CCNCCC(=O)c1ccc(cc1)O 2230a_100015525214_100009879949 [1,1,0,0,0,0|1,0,1]=4 2462 B14R1.19 CCOCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011215890 [1,1,0,0,0,0|0,0,1]=3 2463 B14R1.19 CCOCCC(=O)c1ccc(cc1)C 1458a_100000188618_100011215890 [1,1,0,0,0,0|0,0,1]=3 2464 B14R1.19 CCOCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011215890 [1,1,0,0,0,0|0,0,1]=3 2465 B14R1.19 CCOCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011215890 [1,1,0,0,0,0|0,0,1]=3 2466 B14R1.19 CCOCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011215890 [1,1,0,0,0,0|0,0,1]=3 2467 B14R1.19 CCOCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011215890 [1,1,0,0,0,0|0,0,1]=3 2468 B14R1.19 CCOCCC(=O)c1ccc(cc1)O 271570a_203496583355_100018808408 [1,1,0,0,0,0|0,0,1]=3 2469 B14R1.19 CCSCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000757381 [1,1,0,0,0,0|0,1,1]=4 2470 B14R1.19 CCSCCC(=O)c1ccc(cc1)Br 62a_100000210202_100011215963 [1,1,0,0,0,0|0,1,1]=4 2471 B14R1.19 CCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000210202 [1,1,0,0,0,0|0,1,1]=4 2472 B14R1.19 CCSCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000757381 [1,1,0,0,0,0|0,1,1]=4 2473 B14R1.19 CCSCCC(=O)c1ccc(cc1)C 62a_100000210202_100000701375 [1,1,0,0,0,0|0,1,1]=4 2474 B14R1.19 CCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100000210202 [1,1,0,0,0,0|0,1,1]=4 2475 B14R1.19 CCSCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000757381 [1,1,0,0,0,0|0,1,1]=4 2476 B14R1.19 CCSCCC(=O)c1ccc(cc1)Cl 62a_100000210202_100011216492 [1,1,0,0,0,0|0,1,1]=4 2477 B14R1.19 CCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000210202 [1,1,0,0,0,0|0,1,1]=4 2478 B14R1.19 CCSCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000757381 [1,1,0,0,0,0|0,1,1]=4 2479 B14R1.19 CCSCCC(=O)c1ccc(cc1)F 62a_100000210202_100000211231 [1,1,0,0,0,0|0,1,1]=4 2480 B14R1.19 CCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000210202 [1,1,0,0,0,0|0,1,1]=4 2481 B14R1.19 CCSCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000757381 [1,1,0,0,0,0|0,1,1]=4 2482 B14R1.19 CCSCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000757381 [1,1,0,0,0,0|0,1,1]=4 2483 B14R1.19 CCSCCC(=O)c1ccc(cc1)O 62a_100000210202_100009879949 [1,1,0,0,0,0|0,1,1]=4 2484 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)Br 1458a_100000210664_100103147603 [1,1,0,0,0,0|1,0,0]=3 2485 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)C 1458a_100000189346_100103147603 [1,1,0,0,0,0|1,0,0]=3 2486 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)Cl 1458a_100000210390_100103147603 [1,1,0,0,0,0|1,0,0]=3 2487 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)F 1458a_100000210950_100103147603 [1,1,0,0,0,0|1,0,0]=3 2488 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)I 1458a_100000184098_100103147603 [1,1,0,0,0,0|1,0,0]=3 2489 B14R1.20 CC/C=C\CC(=O)c1cccc(c1)O 1458a_100000183914_100103147603 [1,1,0,0,0,0|1,0,0]=3 2490 B14R1.20 CCC#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100009813939 [1,1,0,0,0,0|1,0,1]=4 2491 B14R1.20 CCC#CCC(=O)c1cccc(c1)C 1458a_100000189346_100009813939 [1,1,0,0,0,0|1,0,1]=4 2492 B14R1.20 CCC#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100009813939 [1,1,0,0,0,0|1,0,1]=4 2493 B14R1.20 CCC#CCC(=O)c1cccc(c1)F 1458a_100000210950_100009813939 [1,1,0,0,0,0|1,0,1]=4 2494 B14R1.20 CCC#CCC(=O)c1cccc(c1)I 1458a_100000184098_100009813939 [1,1,0,0,0,0|1,0,1]=4 2495 B14R1.20 CCC#CCC(=O)c1cccc(c1)O 1458a_100000183914_100009813939 [1,1,0,0,0,0|1,0,1]=4 2496 B14R1.20 CCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210326 [1,1,0,0,0,0|1,0,1]=4 2497 B14R1.20 CCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210326 [1,1,0,0,0,0|1,0,1]=4 2498 B14R1.20 CCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210326 [1,1,0,0,0,0|1,0,1]=4 2499 B14R1.20 CCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210326 [1,1,0,0,0,0|1,0,1]=4 2500 B14R1.20 CCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210326 [1,1,0,0,0,0|1,0,1]=4 2501 B14R1.20 CCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210326 [1,1,0,0,0,0|1,0,1]=4 2502 B14R1.20 CCCOCC(=O)c1cccc(c1)Br 34a_100000210258_100000212080 [1,1,0,0,0,0|2,0,0]=4 2503 B14R1.20 CCCOCC(=O)c1cccc(c1)C 34a_100000210258_100000739480 [1,1,0,0,0,0|2,0,0]=4 2504 B14R1.20 CCCOCC(=O)c1cccc(c1)Cl 34a_100000210258_100000211444 [1,1,0,0,0,0|2,0,0]=4 2505 B14R1.20 CCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210303 [1,1,0,0,0,0|2,0,0]=4 2506 B14R1.20 CCCOCC(=O)c1cccc(c1)F 34a_100000210258_100000215616 [1,1,0,0,0,0|2,0,0]=4 2507 B14R1.20 CCCOCC(=O)c1cccc(c1)F 34a_100011592800_100000210303 [1,1,0,0,0,0|2,0,0]=4 2508 B14R1.20 CCCOCC(=O)c1cccc(c1)F 7a_100011592800_100000210303 [1,1,0,0,0,0|2,0,0]=4 2509 B14R1.20 CCCOCC(=O)c1cccc(c1)O 34a_100000210258_100009813753 [1,1,0,0,0,0|2,0,0]=4 2510 B14R1.20 CCCSCC(=O)c1cccc(c1)Br 62a_100000210303_100000212080 [1,1,0,0,0,0|2,0,0]=4 2511 B14R1.20 CCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000210303 [1,1,0,0,0,0|2,0,0]=4 2512 B14R1.20 CCCSCC(=O)c1cccc(c1)C 62a_100000210303_100000739480 [1,1,0,0,0,0|2,0,0]=4 2513 B14R1.20 CCCSCC(=O)c1cccc(c1)C 62a_100000739480_100000210303 [1,1,0,0,0,0|2,0,0]=4 2514 B14R1.20 CCCSCC(=O)c1cccc(c1)Cl 62a_100000210303_100000211444 [1,1,0,0,0,0|2,0,0]=4 2515 B14R1.20 CCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210303 [1,1,0,0,0,0|2,0,0]=4 2516 B14R1.20 CCCSCC(=O)c1cccc(c1)F 62a_100000210303_100000215616 [1,1,0,0,0,0|2,0,0]=4 2517 B14R1.20 CCCSCC(=O)c1cccc(c1)F 62a_100000215616_100000210303 [1,1,0,0,0,0|2,0,0]=4 2518 B14R1.20 CCCSCC(=O)c1cccc(c1)O 62a_100000210303_100009813753 [1,1,0,0,0,0|2,0,0]=4 2519 B14R1.20 CCCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210303 [1,1,0,0,0,0|2,0,0]=4 2520 B14R1.20 CCOCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011215890 [1,1,0,0,0,0|0,0,1]=3 2521 B14R1.20 CCOCCC(=O)c1cccc(c1)C 1458a_100000189346_100011215890 [1,1,0,0,0,0|0,0,1]=3 2522 B14R1.20 CCOCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011215890 [1,1,0,0,0,0|0,0,1]=3 2523 B14R1.20 CCOCCC(=O)c1cccc(c1)F 1458a_100000210950_100011215890 [1,1,0,0,0,0|0,0,1]=3 2524 B14R1.20 CCOCCC(=O)c1cccc(c1)I 1458a_100000184098_100011215890 [1,1,0,0,0,0|0,0,1]=3 2525 B14R1.20 CCOCCC(=O)c1cccc(c1)O 1458a_100000183914_100011215890 [1,1,0,0,0,0|0,0,1]=3 2526 B14R1.20 CCSCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000757381 [1,1,0,0,0,0|0,1,1]=4 2527 B14R1.20 CCSCCC(=O)c1cccc(c1)C 1458a_100000189346_100000757381 [1,1,0,0,0,0|0,1,1]=4 2528 B14R1.20 CCSCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000757381 [1,1,0,0,0,0|0,1,1]=4 2529 B14R1.20 CCSCCC(=O)c1cccc(c1)F 1458a_100000210950_100000757381 [1,1,0,0,0,0|0,1,1]=4 2530 B14R1.20 CCSCCC(=O)c1cccc(c1)I 1458a_100000184098_100000757381 [1,1,0,0,0,0|0,1,1]=4 2531 B14R1.20 CCSCCC(=O)c1cccc(c1)O 1458a_100000183914_100000757381 [1,1,0,0,0,0|0,1,1]=4 2532 B14R1.38 C#CCOCCC(=O)c1ccccc1 1458a_100000185807_100010402529 [1,1,0,0,0,0|0,0,2]=4 2533 B14R1.38 CC/C=C\CCC(=O)c1ccccc1 1458a_100000185807_100015370543 [1,1,0,0,0,0|1,0,0]=3 2534 B14R1.38 CCCC=NNC(=O)c1ccccc1 4a_100000184135_100000185831 [1,1,0,0,0,0|2,0,0]=4 2535 B14R1.38 CCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210757 [1,1,0,0,0,0|1,0,1]=4 2536 B14R1.38 CCCCCNC(=O)c1ccccc1 11a_100000209983_100000185807 [1,1,0,0,0,0|1,0,1]=4 2537 B14R1.38 CCCCCNC(=O)c1ccccc1 1626a_100000209983_100000185807 [1,1,0,0,0,0|1,0,1]=4 2538 B14R1.38 CCCCCNC(=O)c1ccccc1 240690a_100000209983_100000185807 [1,1,0,0,0,0|1,0,1]=4 2539 B14R1.38 CCCCCNC(=O)c1ccccc1 527a_100000209983_100000185807 [1,1,0,0,0,0|1,0,1]=4 2540 B14R1.38 CCCCNCC(=O)c1ccccc1 7a_106832991798_100000211460 [1,1,0,0,0,0|1,0,1]=4 2541 B14R1.38 CCCCOCC(=O)c1ccccc1 1458a_100000185807_100011995733 [1,1,0,0,0,0|1,0,1]=4 2542 B14R1.38 CCCCOCC(=O)c1ccccc1 7a_100000210227_100000211460 [1,1,0,0,0,0|1,0,1]=4 2543 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000210211_100000211460 [1,1,0,0,0,0|1,0,1]=4 2544 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000211460_100000210210 [1,1,0,0,0,0|1,0,1]=4 2545 B14R1.38 CCCOCCC(=O)c1ccccc1 1458a_100000185807_100011215938 [1,1,0,0,0,0|0,0,1]=3 2546 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000210303_100000750707 [1,1,0,0,0,0|0,1,1]=4 2547 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000750707_100000210303 [1,1,0,0,0,0|0,1,1]=4 2548 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000073877_100000210303 [1,1,0,0,0,0|2,0,0]=4 2549 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000210303_100000073877 [1,1,0,0,0,0|2,0,0]=4 2550 B14R1.38 CCNCCCC(=O)c1ccccc1 2230a_100015525214_100000211006 [1,1,0,0,0,0|1,0,1]=4 2551 B14R1.38 CCNCCNC(=O)c1ccccc1 2230a_100000736134_100000210202 [1,1,0,0,0,0|1,0,1]=4 2552 B14R1.38 CCOCCCC(=O)c1ccccc1 1458a_100000185807_100012232248 [1,1,0,0,0,0|0,0,1]=3 2553 B14R1.38 CCOCCNC(=O)c1ccccc1 11a_100011200944_100000185807 [1,1,0,0,0,0|0,0,1]=3 2554 B14R1.38 CCOCCNC(=O)c1ccccc1 1626a_102516460346_100000185807 [1,1,0,0,0,0|0,0,1]=3 2555 B14R1.38 CCOCCNC(=O)c1ccccc1 240690a_100011200944_100000185807 [1,1,0,0,0,0|0,0,1]=3 2556 B14R1.38 CCOCCNC(=O)c1ccccc1 34a_200000158897_100000210202 [1,1,0,0,0,0|0,0,1]=3 2557 B14R1.38 CCOCCNC(=O)c1ccccc1 527a_100011200944_100000185807 [1,1,0,0,0,0|0,0,1]=3 2558 B14R1.38 CCOCCNC(=O)c1ccccc1 7a_200000158897_100000210202 [1,1,0,0,0,0|0,0,1]=3 2559 B14R1.38 CCOCCOC(=O)c1ccccc1 34a_100121572206_100009812718 [1,1,0,0,0,0|0,0,1]=3 2560 B14R1.38 CCOCCOC(=O)c1ccccc1 7a_100000025465_100000210202 [1,1,0,0,0,0|0,0,1]=3 2561 B14R1.38 CCOCSCC(=O)c1ccccc1 62a_100000211460_100000739092 [1,1,0,0,0,0|0,0,1]=3 2562 B14R1.38 CCOCSCC(=O)c1ccccc1 62a_100000739092_100000211460 [1,1,0,0,0,0|0,0,1]=3 2563 B14R1.38 CCOCSCC(=O)c1ccccn1 62a_100000027445_100000739092 [1,1,0,0,0,0|1,0,1]=4 2564 B14R1.38 CCOCSCC(=O)c1ccccn1 62a_100000739092_100000027445 [1,1,0,0,0,0|1,0,1]=4 2565 B14R1.38 CCOCSCC(=O)c1cccnc1 62a_100000739092_100000757877 [1,1,0,0,0,0|1,0,1]=4 2566 B14R1.38 CCOCSCC(=O)c1cccnc1 62a_100000757877_100000739092 [1,1,0,0,0,0|1,0,1]=4 2567 B14R1.38 CCOCSCC(=O)c1ccncc1 62a_100000027454_100000739092 [1,1,0,0,0,0|1,0,1]=4 2568 B14R1.38 CCOCSCC(=O)c1ccncc1 62a_100000739092_100000027454 [1,1,0,0,0,0|1,0,1]=4 2569 B14R1.38 CCOCSCS(=O)c1ccccc1 62a_100000739092_100000031784 [1,1,0,0,0,0|1,0,1]=4 2570 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000210202_100000211006 [1,1,0,0,0,0|0,1,1]=4 2571 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000211006_100000210202 [1,1,0,0,0,0|0,1,1]=4 2572 B14R1.38 CCSCCNC(=O)c1ccccc1 11a_100000106463_100000185807 [1,1,0,0,0,0|0,1,1]=4 2573 B14R1.38 CCSCCNC(=O)c1ccccc1 1626a_100000106463_100000185807 [1,1,0,0,0,0|0,1,1]=4 2574 B14R1.38 CCSCCNC(=O)c1ccccc1 240690a_100000106463_100000185807 [1,1,0,0,0,0|0,1,1]=4 2575 B14R1.38 CCSCCNC(=O)c1ccccc1 527a_100000106463_100000185807 [1,1,0,0,0,0|0,1,1]=4 2576 B14R1.38 CCSCCNC(=O)c1ccccc1 62a_100000210202_200011215302 [1,1,0,0,0,0|0,1,1]=4 2577 B14R1.38 CCSCCNC(=O)c1ccccc1 62a_200011215302_100000210202 [1,1,0,0,0,0|0,1,1]=4 2578 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100000210202_100009812718 [1,1,0,0,0,0|0,1,1]=4 2579 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100009812718_100000210202 [1,1,0,0,0,0|0,1,1]=4 2580 B14R1.38 COCCCCC(=O)c1ccccc1 1458a_100000185807_100000755781 [1,1,0,0,0,0|1,0,1]=4 2581 B14R1.38 COCCSCC(=O)c1ccccc1 62a_100000211460_100000233755 [1,1,0,0,0,0|2,0,0]=4 2582 B14R1.38 COCCSCC(=O)c1ccccc1 62a_100000233755_100000211460 [1,1,0,0,0,0|2,0,0]=4 2583 B14R1.38 COCSCCC(=O)c1ccccc1 62a_100000750707_100000766300 [1,1,0,0,0,0|0,1,1]=4 2584 B14R1.38 COCSCCC(=O)c1ccccc1 62a_100000766300_100000750707 [1,1,0,0,0,0|0,1,1]=4 2585 B14R1.38 CSCCOCC(=O)c1ccccc1 7a_100000230434_100000211460 [1,1,0,0,0,0|2,0,0]=4 2586 B14R1.38 CSCCSCC(=O)c1ccccc1 62a_100000211460_100000751147 [1,1,0,0,0,0|2,0,0]=4 2587 B14R1.38 CSCCSCC(=O)c1ccccc1 62a_100000212216_100000211460 [1,1,0,0,0,0|2,0,0]=4 2588 B14R1.38 CSCSCCC(=O)c1ccccc1 62a_100000750707_100011218213 [1,1,0,0,0,0|0,1,1]=4 2589 B14R1.38 CSCSCCC(=O)c1ccccc1 62a_100011218213_100000750707 [1,1,0,0,0,0|0,1,1]=4 2590 B14R1.38 N#CCOCCC(=O)c1ccccc1 1458a_100000185807_200000047693 [1,1,0,0,0,0|0,0,2]=4 2591 B14R1.38 O=C(CCCCCF)c1ccccc1 1458a_100000185807_100000729378 [1,1,0,0,0,0|1,0,1]=4 2592 B14R1.38 O=C(CCCCCO)c1ccccc1 1458a_100000185807_100000746330 [1,1,0,0,0,0|1,0,1]=4 2593 B14R1.38 O=C(CCNCCO)c1ccccc1 2230a_100016997473_100000750707 [1,1,0,0,0,0|1,0,1]=4 2594 B14R1.38 O=C(CCOCCO)c1ccccc1 1458a_100000185807_100011215305 [1,1,0,0,0,0|0,0,1]=3 2595 B14R1.38 O=C(CCSCCF)c1ccccc1 62a_100000750707_100011217306 [1,1,0,0,0,0|0,1,1]=4 2596 B14R1.38 O=C(CCSCCF)c1ccccc1 62a_100011217306_100000750707 [1,1,0,0,0,0|0,1,1]=4 2597 B14R1.38 O=C(CCSCCO)c1ccccc1 62a_100000211926_100000750707 [1,1,0,0,0,0|0,1,1]=4 2598 B14R1.38 O=C(CCSCCO)c1ccccc1 62a_100000750707_100000211926 [1,1,0,0,0,0|0,1,1]=4 2599 B14R1.38 O=C(CSCCCF)c1ccccc1 62a_100000211460_100011934791 [1,1,0,0,0,0|2,0,0]=4 2600 B14R1.38 O=C(CSCCCF)c1ccccc1 62a_100011934791_100000211460 [1,1,0,0,0,0|2,0,0]=4 2601 B14R1.38 O=C(CSCCCO)c1ccccc1 62a_100000211460_100011215043 [1,1,0,0,0,0|2,0,0]=4 2602 B14R1.38 O=C(CSCCCO)c1ccccc1 62a_100011215043_100000211460 [1,1,0,0,0,0|2,0,0]=4 2603 B14R1.38 O=C(NCCOCF)c1ccccc1 34a_200000158897_100015361967 [1,1,0,0,0,0|1,0,1]=4 2604 B14R1.38 O=C(NCCOCF)c1ccccc1 7a_200000158897_100015361967 [1,1,0,0,0,0|1,0,1]=4 2605 B14R1.38 O=C(OCCOCF)c1ccccc1 7a_100000025465_100015361967 [1,1,0,0,0,0|1,0,1]=4 2606 B14R1.46 CCOCCS(=O)(=O)c1ccccc1 34a_200011215558_100000210202 [1,1,0,0,0,0|1,0,1]=4 2607 B14R1.46 CCOCCS(=O)(=O)c1ccccc1 7a_200011215558_100000210202 [1,1,0,0,0,0|1,0,1]=4 2608 B14R1.163 CCC(=O)CCC(=O)c1ccccc1 1458a_100000210414_100000750707 [1,1,0,0,0,0|1,0,1]=4 2609 B14R1.163 CCC(C)OCC(=O)c1ccccc1 7a_100000210228_100000211460 [1,1,0,0,0,0|2,0,0]=4 2610 B14R1.163 CCC(C)SCC(=O)c1ccccc1 62a_100000211460_100000758301 [1,1,0,0,0,0|2,0,0]=4 2611 B14R1.163 CCC(C)SCC(=O)c1ccccc1 62a_100000758301_100000211460 [1,1,0,0,0,0|2,0,0]=4 2612 B14R1.163 CCN(C)CCC(=O)c1ccccc1 2230a_100000225621_100000750707 [1,1,0,0,0,0|1,0,1]=4 2613 B14R1.163 CCN(C)CCC(=O)c1ccccc1 269982a_100000225621_100000750707 [1,1,0,0,0,0|1,0,1]=4 2614 B14R1.166 CCCCC(C)C(=O)c1ccccc1 1458a_100000185807_200011215066 [1,1,0,0,0,0|1,0,1]=4 2615 B14R1.166 CCCSC(C)C(=O)c1ccccc1 62a_100000210303_100000239700 [1,1,0,0,0,0|2,0,0]=4 2616 B14R1.166 CCCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210303 [1,1,0,0,0,0|2,0,0]=4 2617 B14R1.420 CC(=O)OCCC(=O)c1ccccc1 1458a_100000185807_100009814007 [1,1,0,0,0,0|0,0,2]=4 2618 B14R1.420 CC(C)CCCC(=O)c1ccccc1 1458a_100000185807_100011214892 [1,1,0,0,0,0|1,0,1]=4 2619 B14R1.420 CC(C)CSCC(=O)c1ccccc1 62a_100000210624_100000211460 [1,1,0,0,0,0|2,0,0]=4 2620 B14R1.420 CC(C)CSCC(=O)c1ccccc1 62a_100000211460_100000210760 [1,1,0,0,0,0|2,0,0]=4 2621 B14R1.420 CC(C)NCCC(=O)c1ccccc1 2230a_100138425928_100000750707 [1,1,0,0,0,0|1,0,1]=4 2622 B14R1.420 CC(C)OCCC(=O)c1ccccc1 1458a_100000185807_100000211751 [1,1,0,0,0,0|0,0,1]=3 2623 B14R1.420 CC(C)SCCC(=O)c1ccccc1 1458a_100000185807_100000730970 [1,1,0,0,0,0|0,1,1]=4 2624 B14R1.420 CC(C)SCCC(=O)c1ccccc1 62a_100000210206_100000750707 [1,1,0,0,0,0|0,1,1]=4 2625 B14R1.420 CC(C)SCCC(=O)c1ccccc1 62a_100000750707_100000210206 [1,1,0,0,0,0|0,1,1]=4 2626 B14R1.420 CC(O)CCCC(=O)c1ccccc1 1458a_100000185807_200000718107 [1,1,0,0,0,0|1,0,1]=4 2627 B14R1.420 CC(O)CSCC(=O)c1ccccc1 62a_100000211460_100011218427 [1,1,0,0,0,0|2,0,0]=4 2628 B14R1.420 CC(O)CSCC(=O)c1ccccc1 62a_100011218427_100000211460 [1,1,0,0,0,0|2,0,0]=4 2629 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccc1 62a_100000211460_100009817552 [1,1,0,0,0,0|2,0,0]=4 2630 B14R1.420 C[C@@H](O)CSCC(=O)c1ccccc1 62a_100009817552_100000211460 [1,1,0,0,0,0|2,0,0]=4 2631 B14R1.1035 CC/C=C\CC(=O)c1ccccc1Br 1458a_100000188424_100103147603 [1,1,0,0,0,0|1,0,0]=3 2632 B14R1.1035 CC/C=C\CC(=O)c1ccccc1C 1458a_100000212026_100103147603 [1,1,0,0,0,0|1,0,0]=3 2633 B14R1.1035 CC/C=C\CC(=O)c1ccccc1Cl 1458a_100000185844_100103147603 [1,1,0,0,0,0|1,0,0]=3 2634 B14R1.1035 CC/C=C\CC(=O)c1ccccc1F 1458a_100000188656_100103147603 [1,1,0,0,0,0|1,0,0]=3 2635 B14R1.1035 CC/C=C\CC(=O)c1ccccc1I 1458a_100000187884_100103147603 [1,1,0,0,0,0|1,0,0]=3 2636 B14R1.1035 CC/C=C\CC(=O)c1ccccc1O 1458a_100015234032_100103147603 [1,1,0,0,0,0|1,0,0]=3 2637 B14R1.1035 CC/C=C\CC(=O)c1ccccc1[O-] 1458a_100009911694_100103147603 [1,1,0,0,0,0|1,0,0]=3 2638 B14R1.1035 CCC#CCC(=O)c1ccccc1Br 1458a_100000188424_100009813939 [1,1,0,0,0,0|1,0,1]=4 2639 B14R1.1035 CCC#CCC(=O)c1ccccc1C 1458a_100000212026_100009813939 [1,1,0,0,0,0|1,0,1]=4 2640 B14R1.1035 CCC#CCC(=O)c1ccccc1Cl 1458a_100000185844_100009813939 [1,1,0,0,0,0|1,0,1]=4 2641 B14R1.1035 CCC#CCC(=O)c1ccccc1F 1458a_100000188656_100009813939 [1,1,0,0,0,0|1,0,1]=4 2642 B14R1.1035 CCC#CCC(=O)c1ccccc1I 1458a_100000187884_100009813939 [1,1,0,0,0,0|1,0,1]=4 2643 B14R1.1035 CCC#CCC(=O)c1ccccc1O 1458a_100015234032_100009813939 [1,1,0,0,0,0|1,0,1]=4 2644 B14R1.1035 CCC#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100009813939 [1,1,0,0,0,0|1,0,1]=4 2645 B14R1.1035 CCCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210326 [1,1,0,0,0,0|1,0,1]=4 2646 B14R1.1035 CCCCCC(=O)c1ccccc1C 1458a_100000212026_100000210326 [1,1,0,0,0,0|1,0,1]=4 2647 B14R1.1035 CCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210326 [1,1,0,0,0,0|1,0,1]=4 2648 B14R1.1035 CCCCCC(=O)c1ccccc1F 1458a_100000188656_100000210326 [1,1,0,0,0,0|1,0,1]=4 2649 B14R1.1035 CCCCCC(=O)c1ccccc1I 1458a_100000187884_100000210326 [1,1,0,0,0,0|1,0,1]=4 2650 B14R1.1035 CCCCCC(=O)c1ccccc1O 1458a_100015234032_100000210326 [1,1,0,0,0,0|1,0,1]=4 2651 B14R1.1035 CCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210326 [1,1,0,0,0,0|1,0,1]=4 2652 B14R1.1035 CCCOCC(=O)c1ccccc1Br 34a_100000210258_100000199116 [1,1,0,0,0,0|2,0,0]=4 2653 B14R1.1035 CCCOCC(=O)c1ccccc1C 34a_100000210258_100000741374 [1,1,0,0,0,0|2,0,0]=4 2654 B14R1.1035 CCCOCC(=O)c1ccccc1Cl 34a_100000210258_100000211432 [1,1,0,0,0,0|2,0,0]=4 2655 B14R1.1035 CCCOCC(=O)c1ccccc1F 34a_100000210258_100000204681 [1,1,0,0,0,0|2,0,0]=4 2656 B14R1.1035 CCCSCC(=O)c1ccccc1Br 62a_100000199116_100000210303 [1,1,0,0,0,0|2,0,0]=4 2657 B14R1.1035 CCCSCC(=O)c1ccccc1C 62a_100000210303_100000741374 [1,1,0,0,0,0|2,0,0]=4 2658 B14R1.1035 CCCSCC(=O)c1ccccc1C 62a_100000741374_100000210303 [1,1,0,0,0,0|2,0,0]=4 2659 B14R1.1035 CCCSCC(=O)c1ccccc1Cl 62a_100000210303_100000211432 [1,1,0,0,0,0|2,0,0]=4 2660 B14R1.1035 CCCSCC(=O)c1ccccc1Cl 62a_100000211432_100000210303 [1,1,0,0,0,0|2,0,0]=4 2661 B14R1.1035 CCCSCC(=O)c1ccccc1F 62a_100000204681_100000210303 [1,1,0,0,0,0|2,0,0]=4 2662 B14R1.1035 CCCSCC(=O)c1ccccc1F 62a_100000210303_100000204681 [1,1,0,0,0,0|2,0,0]=4 2663 B14R1.1035 CCCSCC(=O)c1ccccc1O 62a_100000188908_100000210303 [1,1,0,0,0,0|2,0,0]=4 2664 B14R1.1035 CCCSCC(=O)c1ccccc1O 62a_100000210303_100000188908 [1,1,0,0,0,0|2,0,0]=4 2665 B14R1.1035 CCNCCC(=O)c1ccccc1F 2230a_100015525214_100000086012 [1,1,0,0,0,0|1,0,1]=4 2666 B14R1.1035 CCOCCC(=O)c1ccccc1Br 1458a_100000188424_100011215890 [1,1,0,0,0,0|0,0,1]=3 2667 B14R1.1035 CCOCCC(=O)c1ccccc1C 1458a_100000212026_100011215890 [1,1,0,0,0,0|0,0,1]=3 2668 B14R1.1035 CCOCCC(=O)c1ccccc1Cl 1458a_100000185844_100011215890 [1,1,0,0,0,0|0,0,1]=3 2669 B14R1.1035 CCOCCC(=O)c1ccccc1F 1458a_100000188656_100011215890 [1,1,0,0,0,0|0,0,1]=3 2670 B14R1.1035 CCOCCC(=O)c1ccccc1I 1458a_100000187884_100011215890 [1,1,0,0,0,0|0,0,1]=3 2671 B14R1.1035 CCOCCC(=O)c1ccccc1O 1458a_100015234032_100011215890 [1,1,0,0,0,0|0,0,1]=3 2672 B14R1.1035 CCOCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011215890 [1,1,0,0,0,0|0,0,1]=3 2673 B14R1.1035 CCSCCC(=O)c1ccccc1Br 1458a_100000188424_100000757381 [1,1,0,0,0,0|0,1,1]=4 2674 B14R1.1035 CCSCCC(=O)c1ccccc1C 1458a_100000212026_100000757381 [1,1,0,0,0,0|0,1,1]=4 2675 B14R1.1035 CCSCCC(=O)c1ccccc1Cl 1458a_100000185844_100000757381 [1,1,0,0,0,0|0,1,1]=4 2676 B14R1.1035 CCSCCC(=O)c1ccccc1F 1458a_100000188656_100000757381 [1,1,0,0,0,0|0,1,1]=4 2677 B14R1.1035 CCSCCC(=O)c1ccccc1F 62a_100000086012_100000210202 [1,1,0,0,0,0|0,1,1]=4 2678 B14R1.1035 CCSCCC(=O)c1ccccc1F 62a_100000210202_100000086012 [1,1,0,0,0,0|0,1,1]=4 2679 B14R1.1035 CCSCCC(=O)c1ccccc1I 1458a_100000187884_100000757381 [1,1,0,0,0,0|0,1,1]=4 2680 B14R1.1035 CCSCCC(=O)c1ccccc1O 1458a_100015234032_100000757381 [1,1,0,0,0,0|0,1,1]=4 2681 B14R1.1035 CCSCCC(=O)c1ccccc1O 62a_100000210202_100009873196 [1,1,0,0,0,0|0,1,1]=4 2682 B14R1.1035 CCSCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000757381 [1,1,0,0,0,0|0,1,1]=4 2683 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Br 1458a_100016258244_100000210303 [1,1,0,0,0,0|1,0,1]=4 2684 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Br 6a_100000210085_100011215381 [1,1,0,0,0,0|1,0,1]=4 2685 B14R1.32 CCCC(=O)C=Cc1cccc(c1)C 1458a_100000690095_100000210303 [1,1,0,0,0,0|1,0,1]=4 2686 B14R1.32 CCCC(=O)C=Cc1cccc(c1)Cl 1458a_100000184502_100000210303 [1,1,0,0,0,0|1,0,1]=4 2687 B14R1.32 CCCC(=O)C=Cc1cccc(c1)F 1458a_100000718793_100000210303 [1,1,0,0,0,0|1,0,1]=4 2688 B14R1.32 CCCC(=O)C=Cc1cccc(c1)F 6a_100000210812_100011215381 [1,1,0,0,0,0|1,0,1]=4 2689 B14R1.32 CCCC(=O)C=Cc1cccc(c1)I 1458a_100020647043_100000210303 [1,1,0,0,0,0|1,0,1]=4 2690 B14R1.32 CCCC(=O)C=Cc1cccc(c1)I 6a_100000014684_100011215381 [1,1,0,0,0,0|1,0,1]=4 2691 B14R1.32 CCCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210303 [1,1,0,0,0,0|1,0,1]=4 2692 B14R1.32 CCCC(=O)CCc1cccc(c1)Br 1458a_100000211992_100011740638 [1,1,0,0,0,0|1,0,1]=4 2693 B14R1.32 CCCC(=O)CCc1cccc(c1)C 1458a_100000211992_100011713685 [1,1,0,0,0,0|1,0,1]=4 2694 B14R1.32 CCCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210303 [1,1,0,0,0,0|1,0,1]=4 2695 B14R1.32 CCCC(=O)CCc1cccc(c1)Cl 1458a_100000211992_100011713710 [1,1,0,0,0,0|1,0,1]=4 2696 B14R1.32 CCCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210303 [1,1,0,0,0,0|1,0,1]=4 2697 B14R1.32 CCCC(=O)CCc1cccc(c1)F 1458a_100000211992_100011217235 [1,1,0,0,0,0|1,0,1]=4 2698 B14R1.32 CCCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210303 [1,1,0,0,0,0|1,0,1]=4 2699 B14R1.32 CCCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210303 [1,1,0,0,0,0|1,0,1]=4 2700 B14R1.32 CCCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210303 [1,1,0,0,0,0|1,0,1]=4 2701 B14R1.32 CCCC(=O)CNc1cccc(c1)C 2230a_100000188690_100000747444 [1,1,0,0,0,0|2,0,0]=4 2702 B14R1.32 CCCC(=O)COc1cccc(c1)Br 1458a_100000182359_100000210303 [1,1,0,0,0,0|2,0,0]=4 2703 B14R1.32 CCCC(=O)COc1cccc(c1)Br 7a_100000210342_100000747444 [1,1,0,0,0,0|2,0,0]=4 2704 B14R1.32 CCCC(=O)COc1cccc(c1)C 1458a_100000183606_100000210303 [1,1,0,0,0,0|2,0,0]=4 2705 B14R1.32 CCCC(=O)COc1cccc(c1)C 7a_100000210337_100000747444 [1,1,0,0,0,0|2,0,0]=4 2706 B14R1.32 CCCC(=O)COc1cccc(c1)Cl 1458a_100000184978_100000210303 [1,1,0,0,0,0|2,0,0]=4 2707 B14R1.32 CCCC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747444 [1,1,0,0,0,0|2,0,0]=4 2708 B14R1.32 CCCC(=O)COc1cccc(c1)F 1458a_100000182781_100000210303 [1,1,0,0,0,0|2,0,0]=4 2709 B14R1.32 CCCC(=O)COc1cccc(c1)F 7a_100000210426_100000747444 [1,1,0,0,0,0|2,0,0]=4 2710 B14R1.32 CCCC(=O)COc1cccc(c1)I 7a_100000211634_100000747444 [1,1,0,0,0,0|2,0,0]=4 2711 B14R1.32 CCCC(=O)CSc1cccc(c1)Br 1458a_100000760868_100000210303 [1,1,0,0,0,0|2,0,0]=4 2712 B14R1.32 CCCC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747444 [1,1,0,0,0,0|2,0,0]=4 2713 B14R1.32 CCCC(=O)CSc1cccc(c1)Br 62a_100000747444_100000691529 [1,1,0,0,0,0|2,0,0]=4 2714 B14R1.32 CCCC(=O)CSc1cccc(c1)C 62a_100000747444_100011215228 [1,1,0,0,0,0|2,0,0]=4 2715 B14R1.32 CCCC(=O)CSc1cccc(c1)C 62a_100011215228_100000747444 [1,1,0,0,0,0|2,0,0]=4 2716 B14R1.32 CCCC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747444 [1,1,0,0,0,0|2,0,0]=4 2717 B14R1.32 CCCC(=O)CSc1cccc(c1)Cl 62a_100000747444_100000699651 [1,1,0,0,0,0|2,0,0]=4 2718 B14R1.32 CCCC(=O)CSc1cccc(c1)F 62a_100000685547_100000747444 [1,1,0,0,0,0|2,0,0]=4 2719 B14R1.32 CCCC(=O)CSc1cccc(c1)F 62a_100000747444_100000685547 [1,1,0,0,0,0|2,0,0]=4 2720 B14R1.32 CCCC(=O)CSc1cccc(c1)N 62a_100000210019_100000747444 [1,1,0,0,0,0|2,0,0]=4 2721 B14R1.32 CCCC(=O)CSc1cccc(c1)N 62a_100000747444_100000210019 [1,1,0,0,0,0|2,0,0]=4 2722 B14R1.32 CCCC(=O)CSc1cccc(c1)O 62a_100000747444_100000211634 [1,1,0,0,0,0|2,0,0]=4 2723 B14R1.32 CCCC(=O)CSc1cccc(c1)[S] 62a_100000747444_114929384022 [1,1,0,0,0,0|2,0,0]=4 2724 B14R1.32 CCCC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747444 [1,1,0,0,0,0|2,0,0]=4 2725 B14R1.32 CCNC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266304 [1,1,0,0,0,0|1,0,1]=4 2726 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Br 11a_100015525214_100016258244 [1,1,0,0,0,0|1,0,1]=4 2727 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Br 240690a_100015525214_100016258244 [1,1,0,0,0,0|1,0,1]=4 2728 B14R1.32 CCNC(=O)C=Cc1cccc(c1)C 11a_100015525214_100000690095 [1,1,0,0,0,0|1,0,1]=4 2729 B14R1.32 CCNC(=O)C=Cc1cccc(c1)C 240690a_100015525214_100000690095 [1,1,0,0,0,0|1,0,1]=4 2730 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl 11a_100015525214_100000184502 [1,1,0,0,0,0|1,0,1]=4 2731 B14R1.32 CCNC(=O)C=Cc1cccc(c1)Cl 240690a_100015525214_100000184502 [1,1,0,0,0,0|1,0,1]=4 2732 B14R1.32 CCNC(=O)C=Cc1cccc(c1)F 11a_100015525214_100000718793 [1,1,0,0,0,0|1,0,1]=4 2733 B14R1.32 CCNC(=O)C=Cc1cccc(c1)F 240690a_100015525214_100000718793 [1,1,0,0,0,0|1,0,1]=4 2734 B14R1.32 CCNC(=O)C=Cc1cccc(c1)I 11a_100015525214_100020647043 [1,1,0,0,0,0|1,0,1]=4 2735 B14R1.32 CCNC(=O)C=Cc1cccc(c1)I 240690a_100015525214_100020647043 [1,1,0,0,0,0|1,0,1]=4 2736 B14R1.32 CCNC(=O)CCc1cccc(c1)Br 11a_100015525214_100000184314 [1,1,0,0,0,0|1,0,1]=4 2737 B14R1.32 CCNC(=O)CCc1cccc(c1)Br 240690a_100015525214_100000184314 [1,1,0,0,0,0|1,0,1]=4 2738 B14R1.32 CCNC(=O)CCc1cccc(c1)Br 527a_100015525214_100000184314 [1,1,0,0,0,0|1,0,1]=4 2739 B14R1.32 CCNC(=O)CCc1cccc(c1)C 11a_100015525214_100000234952 [1,1,0,0,0,0|1,0,1]=4 2740 B14R1.32 CCNC(=O)CCc1cccc(c1)C 240690a_100015525214_100000234952 [1,1,0,0,0,0|1,0,1]=4 2741 B14R1.32 CCNC(=O)CCc1cccc(c1)C 527a_100015525214_100000234952 [1,1,0,0,0,0|1,0,1]=4 2742 B14R1.32 CCNC(=O)CCc1cccc(c1)Cl 11a_100015525214_100000235675 [1,1,0,0,0,0|1,0,1]=4 2743 B14R1.32 CCNC(=O)CCc1cccc(c1)Cl 240690a_100015525214_100000235675 [1,1,0,0,0,0|1,0,1]=4 2744 B14R1.32 CCNC(=O)CCc1cccc(c1)Cl 527a_100015525214_100000235675 [1,1,0,0,0,0|1,0,1]=4 2745 B14R1.32 CCNC(=O)CCc1cccc(c1)F 11a_100015525214_100000235673 [1,1,0,0,0,0|1,0,1]=4 2746 B14R1.32 CCNC(=O)CCc1cccc(c1)F 240690a_100015525214_100000235673 [1,1,0,0,0,0|1,0,1]=4 2747 B14R1.32 CCNC(=O)CCc1cccc(c1)F 527a_100015525214_100000235673 [1,1,0,0,0,0|1,0,1]=4 2748 B14R1.32 CCNC(=O)CCc1cccc(c1)I 11a_100015525214_100010007846 [1,1,0,0,0,0|1,0,1]=4 2749 B14R1.32 CCNC(=O)CCc1cccc(c1)I 240690a_100015525214_100010007846 [1,1,0,0,0,0|1,0,1]=4 2750 B14R1.32 CCNC(=O)CCc1cccc(c1)I 527a_100015525214_100010007846 [1,1,0,0,0,0|1,0,1]=4 2751 B14R1.32 CCNC(=O)CCc1cccc(c1)O 240690a_100015525214_100011216126 [1,1,0,0,0,0|1,0,1]=4 2752 B14R1.32 CCNC(=O)CCc1cccc(c1)O 527a_100015525214_100011216126 [1,1,0,0,0,0|1,0,1]=4 2753 B14R1.32 CCNC(=O)CNc1cccc(c1)Br 34a_100000210019_100000183381 [1,1,0,0,0,0|2,0,0]=4 2754 B14R1.32 CCNC(=O)CNc1cccc(c1)C 2230a_100000188690_100000183381 [1,1,0,0,0,0|2,0,0]=4 2755 B14R1.32 CCNC(=O)CNc1cccc(c1)C 34a_100000188690_100000183381 [1,1,0,0,0,0|2,0,0]=4 2756 B14R1.32 CCNC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000183381 [1,1,0,0,0,0|2,0,0]=4 2757 B14R1.32 CCNC(=O)CNc1cccc(c1)F 34a_100000210047_100000183381 [1,1,0,0,0,0|2,0,0]=4 2758 B14R1.32 CCNC(=O)CNc1cccc(c1)I 34a_100000211102_100000183381 [1,1,0,0,0,0|2,0,0]=4 2759 B14R1.32 CCNC(=O)CNc1cccc(c1)O 34a_100000210217_100000183381 [1,1,0,0,0,0|2,0,0]=4 2760 B14R1.32 CCNC(=O)COc1cccc(c1)Br 11a_100015525214_100000182359 [1,1,0,0,0,0|2,0,0]=4 2761 B14R1.32 CCNC(=O)COc1cccc(c1)Br 240690a_100015525214_100000182359 [1,1,0,0,0,0|2,0,0]=4 2762 B14R1.32 CCNC(=O)COc1cccc(c1)Br 34a_100000210342_100000183381 [1,1,0,0,0,0|2,0,0]=4 2763 B14R1.32 CCNC(=O)COc1cccc(c1)Br 527a_100015525214_100000182359 [1,1,0,0,0,0|2,0,0]=4 2764 B14R1.32 CCNC(=O)COc1cccc(c1)Br 7a_100000210342_100000183381 [1,1,0,0,0,0|2,0,0]=4 2765 B14R1.32 CCNC(=O)COc1cccc(c1)C 11a_100015525214_100000183606 [1,1,0,0,0,0|2,0,0]=4 2766 B14R1.32 CCNC(=O)COc1cccc(c1)C 240690a_100015525214_100000183606 [1,1,0,0,0,0|2,0,0]=4 2767 B14R1.32 CCNC(=O)COc1cccc(c1)C 34a_100000210337_100000183381 [1,1,0,0,0,0|2,0,0]=4 2768 B14R1.32 CCNC(=O)COc1cccc(c1)C 527a_100015525214_100000183606 [1,1,0,0,0,0|2,0,0]=4 2769 B14R1.32 CCNC(=O)COc1cccc(c1)C 7a_100000210337_100000183381 [1,1,0,0,0,0|2,0,0]=4 2770 B14R1.32 CCNC(=O)COc1cccc(c1)Cl 11a_100015525214_100000184978 [1,1,0,0,0,0|2,0,0]=4 2771 B14R1.32 CCNC(=O)COc1cccc(c1)Cl 240690a_100015525214_100000184978 [1,1,0,0,0,0|2,0,0]=4 2772 B14R1.32 CCNC(=O)COc1cccc(c1)Cl 34a_100000210295_100000183381 [1,1,0,0,0,0|2,0,0]=4 2773 B14R1.32 CCNC(=O)COc1cccc(c1)Cl 527a_100015525214_100000184978 [1,1,0,0,0,0|2,0,0]=4 2774 B14R1.32 CCNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000183381 [1,1,0,0,0,0|2,0,0]=4 2775 B14R1.32 CCNC(=O)COc1cccc(c1)F 11a_100015525214_100000182781 [1,1,0,0,0,0|2,0,0]=4 2776 B14R1.32 CCNC(=O)COc1cccc(c1)F 240690a_100015525214_100000182781 [1,1,0,0,0,0|2,0,0]=4 2777 B14R1.32 CCNC(=O)COc1cccc(c1)F 34a_100000210426_100000183381 [1,1,0,0,0,0|2,0,0]=4 2778 B14R1.32 CCNC(=O)COc1cccc(c1)F 527a_100015525214_100000182781 [1,1,0,0,0,0|2,0,0]=4 2779 B14R1.32 CCNC(=O)COc1cccc(c1)F 7a_100000210426_100000183381 [1,1,0,0,0,0|2,0,0]=4 2780 B14R1.32 CCNC(=O)COc1cccc(c1)I 34a_100000211634_100000183381 [1,1,0,0,0,0|2,0,0]=4 2781 B14R1.32 CCNC(=O)COc1cccc(c1)I 7a_100000211634_100000183381 [1,1,0,0,0,0|2,0,0]=4 2782 B14R1.32 CCNC(=O)COc1cccc(c1)N 34a_100000210217_100000183381 [1,1,0,0,0,0|2,0,0]=4 2783 B14R1.32 CCNC(=O)CSc1cccc(c1)Br 11a_100015525214_100000760868 [1,1,0,0,0,0|2,0,0]=4 2784 B14R1.32 CCNC(=O)CSc1cccc(c1)Br 240690a_100015525214_100000760868 [1,1,0,0,0,0|2,0,0]=4 2785 B14R1.32 CCNC(=O)CSc1cccc(c1)Br 527a_100015525214_100000760868 [1,1,0,0,0,0|2,0,0]=4 2786 B14R1.32 CCNC(=O)CSc1cccc(c1)Br 62a_100000183381_100000691529 [1,1,0,0,0,0|2,0,0]=4 2787 B14R1.32 CCNC(=O)CSc1cccc(c1)Br 62a_100000691529_100000183381 [1,1,0,0,0,0|2,0,0]=4 2788 B14R1.32 CCNC(=O)CSc1cccc(c1)C 62a_100000183381_100011215228 [1,1,0,0,0,0|2,0,0]=4 2789 B14R1.32 CCNC(=O)CSc1cccc(c1)C 62a_100011215228_100000183381 [1,1,0,0,0,0|2,0,0]=4 2790 B14R1.32 CCNC(=O)CSc1cccc(c1)Cl 62a_100000183381_100000699651 [1,1,0,0,0,0|2,0,0]=4 2791 B14R1.32 CCNC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000183381 [1,1,0,0,0,0|2,0,0]=4 2792 B14R1.32 CCNC(=O)CSc1cccc(c1)F 62a_100000183381_100000685547 [1,1,0,0,0,0|2,0,0]=4 2793 B14R1.32 CCNC(=O)CSc1cccc(c1)F 62a_100000685547_100000183381 [1,1,0,0,0,0|2,0,0]=4 2794 B14R1.32 CCNC(=O)CSc1cccc(c1)N 62a_100000183381_100000210019 [1,1,0,0,0,0|2,0,0]=4 2795 B14R1.32 CCNC(=O)CSc1cccc(c1)N 62a_100000210019_100000183381 [1,1,0,0,0,0|2,0,0]=4 2796 B14R1.32 CCNC(=O)CSc1cccc(c1)O 62a_100000183381_100000211634 [1,1,0,0,0,0|2,0,0]=4 2797 B14R1.32 CCNC(=O)CSc1cccc(c1)[S] 62a_100000183381_114929384022 [1,1,0,0,0,0|2,0,0]=4 2798 B14R1.32 CCNC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000183381 [1,1,0,0,0,0|2,0,0]=4 2799 B14R1.32 CCOC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016304034 [1,1,0,0,0,0|0,0,1]=3 2800 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)C 271570a_100010199719_100000750283 [1,1,0,0,0,0|1,0,1]=4 2801 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)Cl 271570a_100010199719_100010167805 [1,1,0,0,0,0|1,0,1]=4 2802 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)F 271570a_100010199719_100009817058 [1,1,0,0,0,0|1,0,1]=4 2803 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)N 271570a_100010199719_100009814236 [1,1,0,0,0,0|1,0,1]=4 2804 B14R1.32 CCOC(=O)C=Cc1cc(ccn1)O 271570a_100010199719_100000762945 [1,1,0,0,0,0|1,0,1]=4 2805 B14R1.32 CCOC(=O)C=Cc1cc[nH]c(=O)c1 271570a_100010199719_100009816521 [1,1,0,0,0,0|1,0,1]=4 2806 B14R1.32 CCOC(=O)C=Cc1ccc[n+](c1)C 271570a_100010199719_100009996589 [1,1,0,0,0,0|1,0,1]=4 2807 B14R1.32 CCOC(=O)C=Cc1ccc[n+](c1)[O-] 271570a_100010199719_100009815978 [1,1,0,0,0,0|1,0,1]=4 2808 B14R1.32 CCOC(=O)C=Cc1cccc(=O)[nH]1 271570a_100010199719_100000761760 [1,1,0,0,0,0|1,0,1]=4 2809 B14R1.32 CCOC(=O)C=Cc1cccc(c1)Br 271570a_100010199719_100000691529 [1,1,0,0,0,0|0,0,1]=3 2810 B14R1.32 CCOC(=O)C=Cc1cccc(c1)C 271570a_100010199719_100011215228 [1,1,0,0,0,0|0,0,1]=3 2811 B14R1.32 CCOC(=O)C=Cc1cccc(c1)Cl 271570a_100010199719_100000699651 [1,1,0,0,0,0|0,0,1]=3 2812 B14R1.32 CCOC(=O)C=Cc1cccc(c1)F 271570a_100010199719_100000685547 [1,1,0,0,0,0|0,0,1]=3 2813 B14R1.32 CCOC(=O)C=Cc1cccc(c1)N 271570a_100010199719_100000210019 [1,1,0,0,0,0|0,0,1]=3 2814 B14R1.32 CCOC(=O)C=Cc1cccc(c1)O 271570a_100010199719_100000211634 [1,1,0,0,0,0|0,0,1]=3 2815 B14R1.32 CCOC(=O)C=Cc1cccc(c1)[S] 271570a_100010199719_114929384022 [1,1,0,0,0,0|0,0,1]=3 2816 B14R1.32 CCOC(=O)C=Cc1cccc(n1)Br 271570a_100010199719_100000684672 [1,1,0,0,0,0|1,0,1]=4 2817 B14R1.32 CCOC(=O)C=Cc1cccc(n1)C 271570a_100010199719_100000742759 [1,1,0,0,0,0|1,0,1]=4 2818 B14R1.32 CCOC(=O)C=Cc1cccc(n1)F 271570a_100010199719_100009815982 [1,1,0,0,0,0|1,0,1]=4 2819 B14R1.32 CCOC(=O)C=Cc1cccc(n1)N 271570a_100010199719_100000740741 [1,1,0,0,0,0|1,0,1]=4 2820 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)Br 271570a_100010199719_100009814637 [1,1,0,0,0,0|1,0,1]=4 2821 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)C 271570a_100010199719_100000758586 [1,1,0,0,0,0|1,0,1]=4 2822 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)Cl 271570a_100010199719_100000035001 [1,1,0,0,0,0|1,0,1]=4 2823 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)F 271570a_100010199719_100009816116 [1,1,0,0,0,0|1,0,1]=4 2824 B14R1.32 CCOC(=O)C=Cc1ccnc(c1)N 271570a_100010199719_100000744379 [1,1,0,0,0,0|1,0,1]=4 2825 B14R1.32 CCOC(=O)C=Cc1cncc(c1)Br 271570a_100010199719_100000728054 [1,1,0,0,0,0|1,0,1]=4 2826 B14R1.32 CCOC(=O)C=Cc1cncc(c1)C 271570a_100010199719_100000760492 [1,1,0,0,0,0|1,0,1]=4 2827 B14R1.32 CCOC(=O)C=Cc1cncc(c1)Cl 271570a_100010199719_100000049639 [1,1,0,0,0,0|1,0,1]=4 2828 B14R1.32 CCOC(=O)C=Cc1cncc(c1)F 271570a_100010199719_100000744099 [1,1,0,0,0,0|1,0,1]=4 2829 B14R1.32 CCOC(=O)C=Cc1cncc(c1)N 271570a_100010199719_100000687067 [1,1,0,0,0,0|1,0,1]=4 2830 B14R1.32 CCOC(=O)C=Cc1cncc(c1)O 271570a_100010199719_100000754920 [1,1,0,0,0,0|1,0,1]=4 2831 B14R1.32 CCOC(=O)CCc1cccc(c1)O 271570a_203496583355_200000172381 [1,1,0,0,0,0|0,0,1]=3 2832 B14R1.32 CCOC(=O)CNc1cccc(c1)Br 34a_100000210019_100000188475 [1,1,0,0,0,0|1,0,0]=3 2833 B14R1.32 CCOC(=O)CNc1cccc(c1)C 2230a_100000188690_100000188475 [1,1,0,0,0,0|1,0,0]=3 2834 B14R1.32 CCOC(=O)CNc1cccc(c1)C 34a_100000188690_100000188475 [1,1,0,0,0,0|1,0,0]=3 2835 B14R1.32 CCOC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000188475 [1,1,0,0,0,0|1,0,0]=3 2836 B14R1.32 CCOC(=O)CNc1cccc(c1)F 34a_100000210047_100000188475 [1,1,0,0,0,0|1,0,0]=3 2837 B14R1.32 CCOC(=O)CNc1cccc(c1)I 34a_100000211102_100000188475 [1,1,0,0,0,0|1,0,0]=3 2838 B14R1.32 CCOC(=O)CNc1cccc(c1)O 271570a_203496583355_200000219647 [1,1,0,0,0,0|1,0,0]=3 2839 B14R1.32 CCOC(=O)CNc1cccc(c1)O 34a_100000210217_100000188475 [1,1,0,0,0,0|1,0,0]=3 2840 B14R1.32 CCOC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000188475 [1,1,0,0,0,0|2,0,0]=4 2841 B14R1.32 CCOC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000188475 [1,1,0,0,0,0|2,0,0]=4 2842 B14R1.32 CCOC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000188475 [1,1,0,0,0,0|2,0,0]=4 2843 B14R1.32 CCOC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000188475 [1,1,0,0,0,0|2,0,0]=4 2844 B14R1.32 CCOC(=O)COc1cccc(c1)Br 34a_100000210342_100000188475 [1,1,0,0,0,0|1,0,0]=3 2845 B14R1.32 CCOC(=O)COc1cccc(c1)Br 7a_100000210342_100000188475 [1,1,0,0,0,0|1,0,0]=3 2846 B14R1.32 CCOC(=O)COc1cccc(c1)C 34a_100000210337_100000188475 [1,1,0,0,0,0|1,0,0]=3 2847 B14R1.32 CCOC(=O)COc1cccc(c1)C 7a_100000210337_100000188475 [1,1,0,0,0,0|1,0,0]=3 2848 B14R1.32 CCOC(=O)COc1cccc(c1)Cl 34a_100000210295_100000188475 [1,1,0,0,0,0|1,0,0]=3 2849 B14R1.32 CCOC(=O)COc1cccc(c1)Cl 7a_100000210295_100000188475 [1,1,0,0,0,0|1,0,0]=3 2850 B14R1.32 CCOC(=O)COc1cccc(c1)F 34a_100000210426_100000188475 [1,1,0,0,0,0|1,0,0]=3 2851 B14R1.32 CCOC(=O)COc1cccc(c1)F 7a_100000210426_100000188475 [1,1,0,0,0,0|1,0,0]=3 2852 B14R1.32 CCOC(=O)COc1cccc(c1)I 34a_100000211634_100000188475 [1,1,0,0,0,0|1,0,0]=3 2853 B14R1.32 CCOC(=O)COc1cccc(c1)I 7a_100000211634_100000188475 [1,1,0,0,0,0|1,0,0]=3 2854 B14R1.32 CCOC(=O)COc1cccc(c1)N 34a_100000210217_100000188475 [1,1,0,0,0,0|1,0,0]=3 2855 B14R1.32 CCOC(=O)COc1cccc(c1)O 271570a_203496583355_100000170171 [1,1,0,0,0,0|1,0,0]=3 2856 B14R1.32 CCOC(=O)COc1cccc(n1)F 34a_100011432558_100000188475 [1,1,0,0,0,0|2,0,0]=4 2857 B14R1.32 CCOC(=O)COc1ccnc(c1)C 34a_100000688365_100000188475 [1,1,0,0,0,0|2,0,0]=4 2858 B14R1.32 CCOC(=O)COc1ccnc(c1)Cl 34a_100000762945_100000188475 [1,1,0,0,0,0|2,0,0]=4 2859 B14R1.32 CCOC(=O)COc1ccnc(c1)F 34a_100000732698_100000188475 [1,1,0,0,0,0|2,0,0]=4 2860 B14R1.32 CCOC(=O)COc1ccnc(c1)N 34a_100011834064_100000188475 [1,1,0,0,0,0|2,0,0]=4 2861 B14R1.32 CCOC(=O)COc1cncc(c1)Br 34a_100000754920_100000188475 [1,1,0,0,0,0|2,0,0]=4 2862 B14R1.32 CCOC(=O)COc1cncc(c1)Br 7a_100000754920_100000188475 [1,1,0,0,0,0|2,0,0]=4 2863 B14R1.32 CCOC(=O)COc1cncc(c1)C 34a_100011830280_100000188475 [1,1,0,0,0,0|2,0,0]=4 2864 B14R1.32 CCOC(=O)COc1cncc(c1)C 7a_100011830280_100000188475 [1,1,0,0,0,0|2,0,0]=4 2865 B14R1.32 CCOC(=O)COc1cncc(c1)Cl 7a_100000032511_100000188475 [1,1,0,0,0,0|2,0,0]=4 2866 B14R1.32 CCOC(=O)COc1cncc(c1)F 34a_100011830296_100000188475 [1,1,0,0,0,0|2,0,0]=4 2867 B14R1.32 CCOC(=O)COc1cncc(c1)F 7a_100011830296_100000188475 [1,1,0,0,0,0|2,0,0]=4 2868 B14R1.32 CCOC(=O)COc1cncc(c1)N 34a_100011997051_100000188475 [1,1,0,0,0,0|2,0,0]=4 2869 B14R1.32 CCOC(=O)CSc1cc(=O)cc[nH]1 62a_100009817434_100000188475 [1,1,0,0,0,0|2,0,0]=4 2870 B14R1.32 CCOC(=O)CSc1cc(ccn1)C 62a_100000188475_100000750283 [1,1,0,0,0,0|2,0,0]=4 2871 B14R1.32 CCOC(=O)CSc1cc(ccn1)C 62a_100000750283_100000188475 [1,1,0,0,0,0|2,0,0]=4 2872 B14R1.32 CCOC(=O)CSc1cc(ccn1)Cl 62a_100000188475_100010167805 [1,1,0,0,0,0|2,0,0]=4 2873 B14R1.32 CCOC(=O)CSc1cc(ccn1)Cl 62a_100010167805_100000188475 [1,1,0,0,0,0|2,0,0]=4 2874 B14R1.32 CCOC(=O)CSc1cc(ccn1)F 62a_100000188475_100000764206 [1,1,0,0,0,0|2,0,0]=4 2875 B14R1.32 CCOC(=O)CSc1cc(ccn1)F 62a_100000764206_100000188475 [1,1,0,0,0,0|2,0,0]=4 2876 B14R1.32 CCOC(=O)CSc1cc(ccn1)N 62a_100000188475_100009814236 [1,1,0,0,0,0|2,0,0]=4 2877 B14R1.32 CCOC(=O)CSc1cc(ccn1)N 62a_100009814236_100000188475 [1,1,0,0,0,0|2,0,0]=4 2878 B14R1.32 CCOC(=O)CSc1cc(ccn1)O 62a_100000188475_100000762945 [1,1,0,0,0,0|2,0,0]=4 2879 B14R1.32 CCOC(=O)CSc1cc[nH]c(=O)c1 62a_100000188475_100009816521 [1,1,0,0,0,0|2,0,0]=4 2880 B14R1.32 CCOC(=O)CSc1cc[nH]c(=O)c1 62a_100009816521_100000188475 [1,1,0,0,0,0|2,0,0]=4 2881 B14R1.32 CCOC(=O)CSc1ccc[n+](c1)C 62a_100000188475_100009996589 [1,1,0,0,0,0|2,0,0]=4 2882 B14R1.32 CCOC(=O)CSc1ccc[n+](c1)C 62a_100009996589_100000188475 [1,1,0,0,0,0|2,0,0]=4 2883 B14R1.32 CCOC(=O)CSc1ccc[n+](c1)[O-] 62a_100000188475_100009815978 [1,1,0,0,0,0|2,0,0]=4 2884 B14R1.32 CCOC(=O)CSc1cccc(=O)[nH]1 62a_100000188475_100000752884 [1,1,0,0,0,0|2,0,0]=4 2885 B14R1.32 CCOC(=O)CSc1cccc(c1)Br 62a_100000188475_100000691529 [1,1,0,0,0,0|1,0,0]=3 2886 B14R1.32 CCOC(=O)CSc1cccc(c1)Br 62a_100000691529_100000188475 [1,1,0,0,0,0|1,0,0]=3 2887 B14R1.32 CCOC(=O)CSc1cccc(c1)C 62a_100000188475_100011215228 [1,1,0,0,0,0|1,0,0]=3 2888 B14R1.32 CCOC(=O)CSc1cccc(c1)C 62a_100011215228_100000188475 [1,1,0,0,0,0|1,0,0]=3 2889 B14R1.32 CCOC(=O)CSc1cccc(c1)Cl 62a_100000188475_100000699651 [1,1,0,0,0,0|1,0,0]=3 2890 B14R1.32 CCOC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000188475 [1,1,0,0,0,0|1,0,0]=3 2891 B14R1.32 CCOC(=O)CSc1cccc(c1)F 62a_100000188475_100000685547 [1,1,0,0,0,0|1,0,0]=3 2892 B14R1.32 CCOC(=O)CSc1cccc(c1)F 62a_100000685547_100000188475 [1,1,0,0,0,0|1,0,0]=3 2893 B14R1.32 CCOC(=O)CSc1cccc(c1)N 62a_100000188475_100000210019 [1,1,0,0,0,0|1,0,0]=3 2894 B14R1.32 CCOC(=O)CSc1cccc(c1)N 62a_100000210019_100000188475 [1,1,0,0,0,0|1,0,0]=3 2895 B14R1.32 CCOC(=O)CSc1cccc(c1)O 62a_100000188475_100000211634 [1,1,0,0,0,0|1,0,0]=3 2896 B14R1.32 CCOC(=O)CSc1cccc(c1)[S] 62a_100000188475_114929384022 [1,1,0,0,0,0|1,0,0]=3 2897 B14R1.32 CCOC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000188475 [1,1,0,0,0,0|1,0,0]=3 2898 B14R1.32 CCOC(=O)CSc1cccc(n1)Br 62a_100000188475_100000684672 [1,1,0,0,0,0|2,0,0]=4 2899 B14R1.32 CCOC(=O)CSc1cccc(n1)Br 62a_100000684672_100000188475 [1,1,0,0,0,0|2,0,0]=4 2900 B14R1.32 CCOC(=O)CSc1cccc(n1)C 62a_100000188475_100000742759 [1,1,0,0,0,0|2,0,0]=4 2901 B14R1.32 CCOC(=O)CSc1cccc(n1)C 62a_100000742759_100000188475 [1,1,0,0,0,0|2,0,0]=4 2902 B14R1.32 CCOC(=O)CSc1cccc(n1)Cl 62a_100000051397_100000188475 [1,1,0,0,0,0|2,0,0]=4 2903 B14R1.32 CCOC(=O)CSc1cccc(n1)Cl 62a_100000188475_100000051397 [1,1,0,0,0,0|2,0,0]=4 2904 B14R1.32 CCOC(=O)CSc1cccc(n1)F 62a_100000188475_100009815982 [1,1,0,0,0,0|2,0,0]=4 2905 B14R1.32 CCOC(=O)CSc1cccc(n1)F 62a_100009815982_100000188475 [1,1,0,0,0,0|2,0,0]=4 2906 B14R1.32 CCOC(=O)CSc1cccc(n1)N 62a_100000188475_100000740741 [1,1,0,0,0,0|2,0,0]=4 2907 B14R1.32 CCOC(=O)CSc1cccc(n1)N 62a_100000740741_100000188475 [1,1,0,0,0,0|2,0,0]=4 2908 B14R1.32 CCOC(=O)CSc1ccnc(c1)Br 62a_100000188475_100009814637 [1,1,0,0,0,0|2,0,0]=4 2909 B14R1.32 CCOC(=O)CSc1ccnc(c1)Br 62a_100009814637_100000188475 [1,1,0,0,0,0|2,0,0]=4 2910 B14R1.32 CCOC(=O)CSc1ccnc(c1)C 62a_100000188475_100000758586 [1,1,0,0,0,0|2,0,0]=4 2911 B14R1.32 CCOC(=O)CSc1ccnc(c1)C 62a_100000758586_100000188475 [1,1,0,0,0,0|2,0,0]=4 2912 B14R1.32 CCOC(=O)CSc1ccnc(c1)Cl 62a_100000035001_100000188475 [1,1,0,0,0,0|2,0,0]=4 2913 B14R1.32 CCOC(=O)CSc1ccnc(c1)Cl 62a_100000188475_100000035001 [1,1,0,0,0,0|2,0,0]=4 2914 B14R1.32 CCOC(=O)CSc1ccnc(c1)F 62a_100000188475_100009816116 [1,1,0,0,0,0|2,0,0]=4 2915 B14R1.32 CCOC(=O)CSc1ccnc(c1)F 62a_100009816116_100000188475 [1,1,0,0,0,0|2,0,0]=4 2916 B14R1.32 CCOC(=O)CSc1ccnc(c1)N 62a_100000049665_100000188475 [1,1,0,0,0,0|2,0,0]=4 2917 B14R1.32 CCOC(=O)CSc1ccnc(c1)N 62a_100000188475_100000049665 [1,1,0,0,0,0|2,0,0]=4 2918 B14R1.32 CCOC(=O)CSc1cncc(c1)Br 62a_100000188475_100000728054 [1,1,0,0,0,0|2,0,0]=4 2919 B14R1.32 CCOC(=O)CSc1cncc(c1)Br 62a_100000728054_100000188475 [1,1,0,0,0,0|2,0,0]=4 2920 B14R1.32 CCOC(=O)CSc1cncc(c1)C 62a_100000188475_100000760492 [1,1,0,0,0,0|2,0,0]=4 2921 B14R1.32 CCOC(=O)CSc1cncc(c1)C 62a_100000760492_100000188475 [1,1,0,0,0,0|2,0,0]=4 2922 B14R1.32 CCOC(=O)CSc1cncc(c1)Cl 62a_100000049639_100000188475 [1,1,0,0,0,0|2,0,0]=4 2923 B14R1.32 CCOC(=O)CSc1cncc(c1)Cl 62a_100000188475_100000049639 [1,1,0,0,0,0|2,0,0]=4 2924 B14R1.32 CCOC(=O)CSc1cncc(c1)F 62a_100000188475_100000744099 [1,1,0,0,0,0|2,0,0]=4 2925 B14R1.32 CCOC(=O)CSc1cncc(c1)F 62a_100000744099_100000188475 [1,1,0,0,0,0|2,0,0]=4 2926 B14R1.32 CCOC(=O)CSc1cncc(c1)N 62a_100000188475_100000687067 [1,1,0,0,0,0|2,0,0]=4 2927 B14R1.32 CCOC(=O)CSc1cncc(c1)N 62a_100000687067_100000188475 [1,1,0,0,0,0|2,0,0]=4 2928 B14R1.32 CCOC(=O)CSc1cncc(c1)O 62a_100000188475_100000754920 [1,1,0,0,0,0|2,0,0]=4 2929 B14R1.32 CCOC(=O)CSc1cncc(c1)O 62a_100000754920_100000188475 [1,1,0,0,0,0|2,0,0]=4 2930 B14R1.60 CCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210303 [1,1,0,0,0,0|1,0,1]=4 2931 B14R1.60 CCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210303 [1,1,0,0,0,0|1,0,1]=4 2932 B14R1.60 CCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210303 [1,1,0,0,0,0|1,0,1]=4 2933 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000211992_200011218536 [1,1,0,0,0,0|1,0,1]=4 2934 B14R1.60 CCCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210303 [1,1,0,0,0,0|1,0,1]=4 2935 B14R1.60 CCCC(=O)C(C)Oc1ccccc1 1458a_100000188414_100000210303 [1,1,0,0,0,0|2,0,0]=4 2936 B14R1.60 CCCC(=O)C(C)Sc1ccccc1 1458a_100000199063_100000210303 [1,1,0,0,0,0|2,0,0]=4 2937 B14R1.60 CCCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210303 [1,1,0,0,0,0|1,0,1]=4 2938 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/C 11a_100015525214_100016990649 [1,1,0,0,0,0|1,0,1]=4 2939 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/C 527a_100015525214_100016990649 [1,1,0,0,0,0|1,0,1]=4 2940 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 11a_100015525214_200020598536 [1,1,0,0,0,0|1,0,1]=4 2941 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100015525214_200020598536 [1,1,0,0,0,0|1,0,1]=4 2942 B14R1.60 CCNC(=O)/C(=C/c1ccccc1)/Cl 527a_100015525214_200020598536 [1,1,0,0,0,0|1,0,1]=4 2943 B14R1.60 CCNC(=O)/C(=C\c1ccccc1)/F 11a_100015525214_100020889036 [1,1,0,0,0,0|1,0,1]=4 2944 B14R1.60 CCNC(=O)/C(=C\c1ccccc1)/F 527a_100015525214_100020889036 [1,1,0,0,0,0|1,0,1]=4 2945 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 11a_100015525214_100000754839 [1,1,0,0,0,0|1,0,1]=4 2946 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 240690a_100015525214_100000754839 [1,1,0,0,0,0|1,0,1]=4 2947 B14R1.60 CCNC(=O)C(C)Cc1ccccc1 527a_100015525214_100000754839 [1,1,0,0,0,0|1,0,1]=4 2948 B14R1.60 CCNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000230173 [1,1,0,0,0,0|2,0,0]=4 2949 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 11a_100015525214_100000188414 [1,1,0,0,0,0|2,0,0]=4 2950 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 240690a_100015525214_100000188414 [1,1,0,0,0,0|2,0,0]=4 2951 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000230173 [1,1,0,0,0,0|2,0,0]=4 2952 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 527a_100015525214_100000188414 [1,1,0,0,0,0|2,0,0]=4 2953 B14R1.60 CCNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000230173 [1,1,0,0,0,0|2,0,0]=4 2954 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 11a_100015525214_100000199063 [1,1,0,0,0,0|2,0,0]=4 2955 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 240690a_100015525214_100000199063 [1,1,0,0,0,0|2,0,0]=4 2956 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 527a_100015525214_100000199063 [1,1,0,0,0,0|2,0,0]=4 2957 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 62a_100000230173_100000041952 [1,1,0,0,0,0|2,0,0]=4 2958 B14R1.60 CCNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000230173 [1,1,0,0,0,0|2,0,0]=4 2959 B14R1.60 CCNC(=O)[C@H](O)Cc1ccccc1 240690a_100015525214_100009816399 [1,1,0,0,0,0|1,0,1]=4 2960 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 11a_100000106764_100014798877 [1,1,0,0,0,0|1,0,1]=4 2961 B14R1.60 CCOC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100014798877 [1,1,0,0,0,0|1,0,1]=4 2962 B14R1.60 CCOC(=O)C(C)Nc1ccccc1 34a_100000106764_100011216346 [1,1,0,0,0,0|1,0,0]=3 2963 B14R1.60 CCOC(=O)C(C)Oc1ccccc1 34a_100000210340_100011216346 [1,1,0,0,0,0|1,0,0]=3 2964 B14R1.60 CCOC(=O)C(C)Oc1ccccc1 7a_100000210340_100011216346 [1,1,0,0,0,0|1,0,0]=3 2965 B14R1.60 CCOC(=O)C(C)Oc1cccnc1 34a_100000210849_100011216346 [1,1,0,0,0,0|2,0,0]=4 2966 B14R1.60 CCOC(=O)C(C)Oc1cccnc1 7a_100000210849_100011216346 [1,1,0,0,0,0|2,0,0]=4 2967 B14R1.60 CCOC(=O)C(C)Oc1ccncc1 34a_100000212176_100011216346 [1,1,0,0,0,0|2,0,0]=4 2968 B14R1.60 CCOC(=O)C(C)Sc1ccccc1 62a_100000719477_100011216346 [1,1,0,0,0,0|1,0,0]=3 2969 B14R1.60 CCOC(=O)C(C)Sc1ccccc1 62a_100011216346_100000041952 [1,1,0,0,0,0|1,0,0]=3 2970 B14R1.60 CCOC(=O)C(C)Sc1ccccn1 62a_100011216346_100011216584 [1,1,0,0,0,0|2,0,0]=4 2971 B14R1.60 CCOC(=O)C(C)Sc1ccccn1 62a_100011216584_100011216346 [1,1,0,0,0,0|2,0,0]=4 2972 B14R1.60 CCOC(=O)C(C)Sc1cccnc1 62a_100000210063_100011216346 [1,1,0,0,0,0|2,0,0]=4 2973 B14R1.60 CCOC(=O)C(C)Sc1cccnc1 62a_100011216346_100000210063 [1,1,0,0,0,0|2,0,0]=4 2974 B14R1.60 CCOC(=O)C(C)Sc1ccncc1 62a_100000728582_100011216346 [1,1,0,0,0,0|2,0,0]=4 2975 B14R1.60 CCOC(=O)C(C)Sc1ccncc1 62a_100011216346_100000728582 [1,1,0,0,0,0|2,0,0]=4 2976 B14R1.60 CCOC(=O)C(F)Nc1ccccc1 34a_100000106764_100000760018 [1,1,0,0,0,0|1,0,0]=3 2977 B14R1.60 CCOC(=O)C(F)Oc1ccccc1 34a_100000210340_100000760018 [1,1,0,0,0,0|1,0,0]=3 2978 B14R1.60 CCOC(=O)C(F)Oc1ccccc1 7a_100000210340_100000040065 [1,1,0,0,0,0|1,0,0]=3 2979 B14R1.60 CCOC(=O)C(F)Oc1cccnc1 34a_100000210849_100000760018 [1,1,0,0,0,0|2,0,0]=4 2980 B14R1.60 CCOC(=O)C(F)Oc1cccnc1 7a_100000210849_100000040065 [1,1,0,0,0,0|2,0,0]=4 2981 B14R1.60 CCOC(=O)C(F)Oc1ccncc1 34a_100000212176_100000760018 [1,1,0,0,0,0|2,0,0]=4 2982 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 62a_100000719477_100000760018 [1,1,0,0,0,0|1,0,0]=3 2983 B14R1.60 CCOC(=O)C(F)Sc1ccccc1 62a_100000760018_100000041952 [1,1,0,0,0,0|1,0,0]=3 2984 B14R1.60 CCOC(=O)C(F)Sc1ccccn1 62a_100000760018_100011216584 [1,1,0,0,0,0|2,0,0]=4 2985 B14R1.60 CCOC(=O)C(F)Sc1ccccn1 62a_100011216584_100000760018 [1,1,0,0,0,0|2,0,0]=4 2986 B14R1.60 CCOC(=O)C(F)Sc1cccnc1 62a_100000210063_100000760018 [1,1,0,0,0,0|2,0,0]=4 2987 B14R1.60 CCOC(=O)C(F)Sc1cccnc1 62a_100000760018_100000210063 [1,1,0,0,0,0|2,0,0]=4 2988 B14R1.60 CCOC(=O)C(F)Sc1ccncc1 62a_100000728582_100000760018 [1,1,0,0,0,0|2,0,0]=4 2989 B14R1.60 CCOC(=O)C(F)Sc1ccncc1 62a_100000760018_100000728582 [1,1,0,0,0,0|2,0,0]=4 2990 B14R1.156 C=C(CNc1ccccc1)OCOC 34a_100000106764_100000042856 [1,1,0,0,0,0|2,0,0]=4 2991 B14R1.156 C=C(COc1ccccc1)OCOC 34a_100000210340_100000042856 [1,1,0,0,0,0|2,0,0]=4 2992 B14R1.156 C=C(CSc1ccccc1)OCOC 62a_100000042856_100000041952 [1,1,0,0,0,0|2,0,0]=4 2993 B14R1.156 C=C(CSc1ccccc1)OCOC 62a_100000719477_100000042856 [1,1,0,0,0,0|2,0,0]=4 2994 B14R1.156 C=CCOC(=O)CNc1ccccc1 34a_100000106764_100000033060 [1,1,0,0,0,0|1,0,1]=4 2995 B14R1.156 C=CCOC(=O)COc1ccccc1 34a_100000210340_100000033060 [1,1,0,0,0,0|1,0,1]=4 2996 B14R1.156 C=CCOC(=O)COc1ccccc1 7a_100000210340_100000033060 [1,1,0,0,0,0|1,0,1]=4 2997 B14R1.156 C=CCOC(=O)CSc1ccccc1 62a_100000033060_100000041952 [1,1,0,0,0,0|1,0,1]=4 2998 B14R1.156 C=CCOC(=O)CSc1ccccc1 62a_100000719477_100000033060 [1,1,0,0,0,0|1,0,1]=4 2999 B14R1.156 CCC#CC(=O)CCc1ccccc1 1458a_100011827653_100000765856 [1,1,0,0,0,0|1,0,1]=4 3000 B14R1.156 CCC=CC(=O)CCc1ccccc1 1458a_100000212282_100000765856 [1,1,0,0,0,0|1,0,1]=4 3001 B14R1.156 CCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210211 [1,1,0,0,0,0|1,0,1]=4 3002 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210211 [1,1,0,0,0,0|1,0,1]=4 3003 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000210183_100000765856 [1,1,0,0,0,0|1,0,1]=4 3004 B14R1.156 CCCCC(=O)COc1ccccc1 1458a_100000186222_100000210211 [1,1,0,0,0,0|2,0,0]=4 3005 B14R1.156 CCCCC(=O)CSc1ccccc1 1458a_100000211596_100000210211 [1,1,0,0,0,0|2,0,0]=4 3006 B14R1.156 CCCNC(=O)C=Cc1ccccc1 11a_100020643023_100000210462 [1,1,0,0,0,0|1,0,1]=4 3007 B14R1.156 CCCNC(=O)C=Cc1ccccc1 1626a_100020643023_100000210462 [1,1,0,0,0,0|1,0,1]=4 3008 B14R1.156 CCCNC(=O)CCc1ccccc1 11a_100020643023_100000185753 [1,1,0,0,0,0|1,0,1]=4 3009 B14R1.156 CCCNC(=O)CCc1ccccc1 1626a_100020643023_100000185753 [1,1,0,0,0,0|1,0,1]=4 3010 B14R1.156 CCCNC(=O)CCc1ccccc1 240690a_100020643023_100000185753 [1,1,0,0,0,0|1,0,1]=4 3011 B14R1.156 CCCNC(=O)CCc1ccccc1 527a_100020643023_100000185753 [1,1,0,0,0,0|1,0,1]=4 3012 B14R1.156 CCCNC(=O)CNc1ccccc1 34a_100000106764_100000183358 [1,1,0,0,0,0|2,0,0]=4 3013 B14R1.156 CCCNC(=O)COc1ccccc1 11a_100020643023_100000186222 [1,1,0,0,0,0|2,0,0]=4 3014 B14R1.156 CCCNC(=O)COc1ccccc1 1626a_100020643023_100000186222 [1,1,0,0,0,0|2,0,0]=4 3015 B14R1.156 CCCNC(=O)COc1ccccc1 240690a_100020643023_100000186222 [1,1,0,0,0,0|2,0,0]=4 3016 B14R1.156 CCCNC(=O)COc1ccccc1 34a_100000210340_100000183358 [1,1,0,0,0,0|2,0,0]=4 3017 B14R1.156 CCCNC(=O)COc1ccccc1 527a_100020643023_100000186222 [1,1,0,0,0,0|2,0,0]=4 3018 B14R1.156 CCCNC(=O)COc1ccccc1 7a_100000210340_100000183358 [1,1,0,0,0,0|2,0,0]=4 3019 B14R1.156 CCCNC(=O)CSc1ccccc1 11a_100020643023_100000211596 [1,1,0,0,0,0|2,0,0]=4 3020 B14R1.156 CCCNC(=O)CSc1ccccc1 1626a_100020643023_100000211596 [1,1,0,0,0,0|2,0,0]=4 3021 B14R1.156 CCCNC(=O)CSc1ccccc1 240690a_100020643023_100000211596 [1,1,0,0,0,0|2,0,0]=4 3022 B14R1.156 CCCNC(=O)CSc1ccccc1 527a_100020643023_100000211596 [1,1,0,0,0,0|2,0,0]=4 3023 B14R1.156 CCCNC(=O)CSc1ccccc1 62a_100000183358_100000041952 [1,1,0,0,0,0|2,0,0]=4 3024 B14R1.156 CCCNC(=O)CSc1ccccc1 62a_100000719477_100000183358 [1,1,0,0,0,0|2,0,0]=4 3025 B14R1.156 CCCOC(=O)CNc1ccccc1 34a_100000106764_200011215008 [1,1,0,0,0,0|1,0,0]=3 3026 B14R1.156 CCCOC(=O)COc1ccccc1 34a_100000210340_200011215008 [1,1,0,0,0,0|1,0,0]=3 3027 B14R1.156 CCCOC(=O)COc1ccccc1 7a_100000210340_200011215008 [1,1,0,0,0,0|1,0,0]=3 3028 B14R1.156 CCCOC(=O)COc1cccnc1 34a_100000210849_200011215008 [1,1,0,0,0,0|2,0,0]=4 3029 B14R1.156 CCCOC(=O)COc1cccnc1 7a_100000210849_200011215008 [1,1,0,0,0,0|2,0,0]=4 3030 B14R1.156 CCCOC(=O)COc1ccncc1 34a_100000212176_200011215008 [1,1,0,0,0,0|2,0,0]=4 3031 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_100000719477_200011215008 [1,1,0,0,0,0|1,0,0]=3 3032 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_200011215008_100000041952 [1,1,0,0,0,0|1,0,0]=3 3033 B14R1.156 CCCOC(=O)CSc1ccccn1 62a_100011216584_200011215008 [1,1,0,0,0,0|2,0,0]=4 3034 B14R1.156 CCCOC(=O)CSc1ccccn1 62a_200011215008_100011216584 [1,1,0,0,0,0|2,0,0]=4 3035 B14R1.156 CCCOC(=O)CSc1cccnc1 62a_100000210063_200011215008 [1,1,0,0,0,0|2,0,0]=4 3036 B14R1.156 CCCOC(=O)CSc1cccnc1 62a_200011215008_100000210063 [1,1,0,0,0,0|2,0,0]=4 3037 B14R1.156 CCCOC(=O)CSc1ccncc1 62a_100000728582_200011215008 [1,1,0,0,0,0|2,0,0]=4 3038 B14R1.156 CCCOC(=O)CSc1ccncc1 62a_200011215008_100000728582 [1,1,0,0,0,0|2,0,0]=4 3039 B14R1.156 CCNCC(=O)CCc1ccccc1 2230a_100015525214_100012361361 [1,1,0,0,0,0|1,0,1]=4 3040 B14R1.156 CCNNC(=O)C=Cc1ccccc1 22a_100000756455_100000210462 [1,1,0,0,0,0|1,0,1]=4 3041 B14R1.156 CCNNC(=O)CCc1ccccc1 22a_100000756455_100000185753 [1,1,0,0,0,0|1,0,1]=4 3042 B14R1.156 CCNNC(=O)COc1ccccc1 22a_100000756455_100000186222 [1,1,0,0,0,0|2,0,0]=4 3043 B14R1.156 CCNNC(=O)CSc1ccccc1 22a_100000756455_100000211596 [1,1,0,0,0,0|2,0,0]=4 3044 B14R1.156 CCOCC(=O)CCc1ccccc1 1458a_100000211967_100000765856 [1,1,0,0,0,0|0,0,1]=3 3045 B14R1.156 CCOCC(=O)CCc1ccccc1 34a_100121572206_100012361361 [1,1,0,0,0,0|0,0,1]=3 3046 B14R1.156 CCOCC(=O)CCc1ccccn1 1458a_100000211967_100015183660 [1,1,0,0,0,0|1,0,1]=4 3047 B14R1.156 CCOCC(=O)CCc1cccnc1 1458a_100000211967_200011713674 [1,1,0,0,0,0|1,0,1]=4 3048 B14R1.156 CCOCC(=O)CCc1ccncc1 1458a_100000211967_100000723409 [1,1,0,0,0,0|1,0,1]=4 3049 B14R1.156 CCOCC(=O)NCc1ccccc1 11a_100015324214_100000211967 [1,1,0,0,0,0|1,0,1]=4 3050 B14R1.156 CCOCC(=O)NCc1ccccc1 1626a_100015324214_100000211967 [1,1,0,0,0,0|1,0,1]=4 3051 B14R1.156 CCOCC(=O)NCc1ccccc1 240690a_100015324214_100000211967 [1,1,0,0,0,0|1,0,1]=4 3052 B14R1.156 CCOCC(=O)NCc1ccccc1 34a_100121572206_100000183539 [1,1,0,0,0,0|1,0,1]=4 3053 B14R1.156 CCOCC(=O)NCc1ccccc1 527a_100015324214_100000211967 [1,1,0,0,0,0|1,0,1]=4 3054 B14R1.156 CCOCC(=O)NNc1ccccc1 22a_100015195140_100000211967 [1,1,0,0,0,0|2,0,0]=4 3055 B14R1.156 CCOCC(=O)OCc1ccccc1 34a_100121572206_100000753625 [1,1,0,0,0,0|1,0,1]=4 3056 B14R1.156 CCSCC(=O)CCc1ccccc1 1458a_100000230394_100000765856 [1,1,0,0,0,0|0,1,1]=4 3057 B14R1.156 CCSCC(=O)CCc1ccccc1 62a_100000210202_100012361361 [1,1,0,0,0,0|0,1,1]=4 3058 B14R1.156 CCSCC(=O)CCc1ccccc1 62a_100012361361_100000210202 [1,1,0,0,0,0|0,1,1]=4 3059 B14R1.156 COCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000233755 [1,1,0,0,0,0|1,0,1]=4 3060 B14R1.156 COCCC(=O)CCc1ccccc1 1458a_100000185753_100000233755 [1,1,0,0,0,0|1,0,1]=4 3061 B14R1.156 COCCC(=O)CCc1ccccc1 1458a_100000749529_100000765856 [1,1,0,0,0,0|1,0,1]=4 3062 B14R1.156 COCCC(=O)COc1ccccc1 1458a_100000186222_100000233755 [1,1,0,0,0,0|2,0,0]=4 3063 B14R1.156 COCCC(=O)CSc1ccccc1 1458a_100000211596_100000233755 [1,1,0,0,0,0|2,0,0]=4 3064 B14R1.156 CSCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000751147 [1,1,0,0,0,0|1,0,1]=4 3065 B14R1.156 CSCCC(=O)CCc1ccccc1 1458a_100000174002_100000765856 [1,1,0,0,0,0|1,0,1]=4 3066 B14R1.156 CSCCC(=O)CCc1ccccc1 1458a_100000185753_100000751147 [1,1,0,0,0,0|1,0,1]=4 3067 B14R1.156 CSCCC(=O)COc1ccccc1 1458a_100000186222_100000751147 [1,1,0,0,0,0|2,0,0]=4 3068 B14R1.156 CSCCC(=O)CSc1ccccc1 1458a_100000211596_100000751147 [1,1,0,0,0,0|2,0,0]=4 3069 B14R1.156 O=C(C=Cc1ccccc1)CCCF 1458a_100000210462_100011934791 [1,1,0,0,0,0|1,0,1]=4 3070 B14R1.156 O=C(C=Cc1ccccc1)CCCO 1458a_100000210462_100011215043 [1,1,0,0,0,0|1,0,1]=4 3071 B14R1.156 O=C(C=Cc1ccccc1)NCCF 11a_100000724931_100000210462 [1,1,0,0,0,0|1,0,1]=4 3072 B14R1.156 O=C(C=Cc1ccccc1)NCCF 1626a_100000724931_100000210462 [1,1,0,0,0,0|1,0,1]=4 3073 B14R1.156 O=C(CCCF)CCc1ccccc1 1458a_100000185753_100011934791 [1,1,0,0,0,0|1,0,1]=4 3074 B14R1.156 O=C(CCCF)COc1ccccc1 1458a_100000186222_100011934791 [1,1,0,0,0,0|2,0,0]=4 3075 B14R1.156 O=C(CCCF)CSc1ccccc1 1458a_100000211596_100011934791 [1,1,0,0,0,0|2,0,0]=4 3076 B14R1.156 O=C(CCCO)CCc1ccccc1 1458a_100000185753_100011215043 [1,1,0,0,0,0|1,0,1]=4 3077 B14R1.156 O=C(CCCO)COc1ccccc1 1458a_100000186222_100011215043 [1,1,0,0,0,0|2,0,0]=4 3078 B14R1.156 O=C(CCCO)CSc1ccccc1 1458a_100000211596_100011215043 [1,1,0,0,0,0|2,0,0]=4 3079 B14R1.156 O=C(CCc1ccccc1)NCCF 11a_100000724931_100000185753 [1,1,0,0,0,0|1,0,1]=4 3080 B14R1.156 O=C(CCc1ccccc1)NCCF 1626a_100000724931_100000185753 [1,1,0,0,0,0|1,0,1]=4 3081 B14R1.156 O=C(CCc1ccccc1)NCCF 240690a_100000724931_100000185753 [1,1,0,0,0,0|1,0,1]=4 3082 B14R1.156 O=C(CCc1ccccc1)NCCF 527a_100000724931_100000185753 [1,1,0,0,0,0|1,0,1]=4 3083 B14R1.156 O=C(CCc1ccccc1)NCCO 240690a_100000210304_100000185753 [1,1,0,0,0,0|1,0,1]=4 3084 B14R1.156 O=C(CCc1ccccc1)NCCO 527a_100000210304_100000185753 [1,1,0,0,0,0|1,0,1]=4 3085 B14R1.156 O=C(COc1ccccc1)NCCF 11a_100000724931_100000186222 [1,1,0,0,0,0|2,0,0]=4 3086 B14R1.156 O=C(COc1ccccc1)NCCF 1626a_100000724931_100000186222 [1,1,0,0,0,0|2,0,0]=4 3087 B14R1.156 O=C(COc1ccccc1)NCCF 240690a_100000724931_100000186222 [1,1,0,0,0,0|2,0,0]=4 3088 B14R1.156 O=C(COc1ccccc1)NCCF 527a_100000724931_100000186222 [1,1,0,0,0,0|2,0,0]=4 3089 B14R1.156 O=C(COc1ccccc1)NCCO 240690a_100000210304_100000186222 [1,1,0,0,0,0|2,0,0]=4 3090 B14R1.156 O=C(COc1ccccc1)NCCO 527a_100000210304_100000186222 [1,1,0,0,0,0|2,0,0]=4 3091 B14R1.156 O=C(CSc1ccccc1)NCCF 11a_100000724931_100000211596 [1,1,0,0,0,0|2,0,0]=4 3092 B14R1.156 O=C(CSc1ccccc1)NCCF 1626a_100000724931_100000211596 [1,1,0,0,0,0|2,0,0]=4 3093 B14R1.156 O=C(CSc1ccccc1)NCCF 240690a_100000724931_100000211596 [1,1,0,0,0,0|2,0,0]=4 3094 B14R1.156 O=C(CSc1ccccc1)NCCF 527a_100000724931_100000211596 [1,1,0,0,0,0|2,0,0]=4 3095 B14R1.156 O=C(CSc1ccccc1)NCCO 240690a_100000210304_100000211596 [1,1,0,0,0,0|2,0,0]=4 3096 B14R1.156 O=C(CSc1ccccc1)NCCO 527a_100000210304_100000211596 [1,1,0,0,0,0|2,0,0]=4 3097 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Br 1458a_100016267368_100000210303 [1,1,0,0,0,0|1,0,1]=4 3098 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Br 6a_100000186029_100011215381 [1,1,0,0,0,0|1,0,1]=4 3099 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)C 1458a_100000716854_100000210303 [1,1,0,0,0,0|1,0,1]=4 3100 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)Cl 1458a_100000184863_100000210303 [1,1,0,0,0,0|1,0,1]=4 3101 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)F 1458a_100000182136_100000210303 [1,1,0,0,0,0|1,0,1]=4 3102 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)F 6a_100000210084_100011215381 [1,1,0,0,0,0|1,0,1]=4 3103 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)I 1458a_100102526154_100000210303 [1,1,0,0,0,0|1,0,1]=4 3104 B14R1.502 CCCC(=O)C=Cc1ccc(cc1)I 6a_100000188517_100011215381 [1,1,0,0,0,0|1,0,1]=4 3105 B14R1.502 CCCC(=O)CCc1ccc(cc1)Br 1458a_100000211992_100011740612 [1,1,0,0,0,0|1,0,1]=4 3106 B14R1.502 CCCC(=O)CCc1ccc(cc1)Br 1458a_100000217147_100000210303 [1,1,0,0,0,0|1,0,1]=4 3107 B14R1.502 CCCC(=O)CCc1ccc(cc1)C 1458a_100000211992_100011713686 [1,1,0,0,0,0|1,0,1]=4 3108 B14R1.502 CCCC(=O)CCc1ccc(cc1)C 1458a_100000234883_100000210303 [1,1,0,0,0,0|1,0,1]=4 3109 B14R1.502 CCCC(=O)CCc1ccc(cc1)Cl 1458a_100000211992_100011713675 [1,1,0,0,0,0|1,0,1]=4 3110 B14R1.502 CCCC(=O)CCc1ccc(cc1)Cl 1458a_100000235379_100000210303 [1,1,0,0,0,0|1,0,1]=4 3111 B14R1.502 CCCC(=O)CCc1ccc(cc1)F 1458a_100000198493_100000210303 [1,1,0,0,0,0|1,0,1]=4 3112 B14R1.502 CCCC(=O)CCc1ccc(cc1)F 1458a_100000211992_100011217392 [1,1,0,0,0,0|1,0,1]=4 3113 B14R1.502 CCCC(=O)CCc1ccc(cc1)I 1458a_100011217499_100000210303 [1,1,0,0,0,0|1,0,1]=4 3114 B14R1.502 CCCC(=O)CCc1ccc(cc1)O 1458a_100000211992_100009816426 [1,1,0,0,0,0|1,0,1]=4 3115 B14R1.502 CCCC(=O)CCc1ccc(cc1)O 1458a_100000742835_100000210303 [1,1,0,0,0,0|1,0,1]=4 3116 B14R1.502 CCCC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000747444 [1,1,0,0,0,0|2,0,0]=4 3117 B14R1.502 CCCC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000747444 [1,1,0,0,0,0|2,0,0]=4 3118 B14R1.502 CCCC(=O)COc1ccc(cc1)Br 1458a_100000182358_100000210303 [1,1,0,0,0,0|2,0,0]=4 3119 B14R1.502 CCCC(=O)COc1ccc(cc1)Br 7a_100000185759_100000747444 [1,1,0,0,0,0|2,0,0]=4 3120 B14R1.502 CCCC(=O)COc1ccc(cc1)C 1458a_100000182360_100000210303 [1,1,0,0,0,0|2,0,0]=4 3121 B14R1.502 CCCC(=O)COc1ccc(cc1)C 7a_100000210336_100000747444 [1,1,0,0,0,0|2,0,0]=4 3122 B14R1.502 CCCC(=O)COc1ccc(cc1)Cl 1458a_100016990877_100000210303 [1,1,0,0,0,0|2,0,0]=4 3123 B14R1.502 CCCC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000747444 [1,1,0,0,0,0|2,0,0]=4 3124 B14R1.502 CCCC(=O)COc1ccc(cc1)F 1458a_100000184765_100000210303 [1,1,0,0,0,0|2,0,0]=4 3125 B14R1.502 CCCC(=O)COc1ccc(cc1)I 1458a_100000184369_100000210303 [1,1,0,0,0,0|2,0,0]=4 3126 B14R1.502 CCCC(=O)COc1ccc(cc1)I 7a_100000212066_100000747444 [1,1,0,0,0,0|2,0,0]=4 3127 B14R1.502 CCCC(=O)COc1ccc(cc1)O 1458a_100000031633_100000210303 [1,1,0,0,0,0|2,0,0]=4 3128 B14R1.502 CCCC(=O)CSc1ccc(cc1)Br 1458a_100000179496_100000210303 [1,1,0,0,0,0|2,0,0]=4 3129 B14R1.502 CCCC(=O)CSc1ccc(cc1)Br 62a_100000747444_100000752885 [1,1,0,0,0,0|2,0,0]=4 3130 B14R1.502 CCCC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000747444 [1,1,0,0,0,0|2,0,0]=4 3131 B14R1.502 CCCC(=O)CSc1ccc(cc1)C 1458a_100000179497_100000210303 [1,1,0,0,0,0|2,0,0]=4 3132 B14R1.502 CCCC(=O)CSc1ccc(cc1)C 62a_100000186775_100000747444 [1,1,0,0,0,0|2,0,0]=4 3133 B14R1.502 CCCC(=O)CSc1ccc(cc1)C 62a_100000747444_100000186775 [1,1,0,0,0,0|2,0,0]=4 3134 B14R1.502 CCCC(=O)CSc1ccc(cc1)Cl 1458a_100000178402_100000210303 [1,1,0,0,0,0|2,0,0]=4 3135 B14R1.502 CCCC(=O)CSc1ccc(cc1)Cl 62a_100000747444_100000755918 [1,1,0,0,0,0|2,0,0]=4 3136 B14R1.502 CCCC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000747444 [1,1,0,0,0,0|2,0,0]=4 3137 B14R1.502 CCCC(=O)CSc1ccc(cc1)F 1458a_100000691584_100000210303 [1,1,0,0,0,0|2,0,0]=4 3138 B14R1.502 CCCC(=O)CSc1ccc(cc1)F 62a_100000211213_100000747444 [1,1,0,0,0,0|2,0,0]=4 3139 B14R1.502 CCCC(=O)CSc1ccc(cc1)F 62a_100000747444_100000211213 [1,1,0,0,0,0|2,0,0]=4 3140 B14R1.502 CCCC(=O)CSc1ccc(cc1)N 62a_100000185761_100000747444 [1,1,0,0,0,0|2,0,0]=4 3141 B14R1.502 CCCC(=O)CSc1ccc(cc1)N 62a_100000747444_100000185761 [1,1,0,0,0,0|2,0,0]=4 3142 B14R1.502 CCCC(=O)CSc1ccc(cc1)O 62a_100000747444_100000185759 [1,1,0,0,0,0|2,0,0]=4 3143 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Br 11a_100015525214_100016267368 [1,1,0,0,0,0|1,0,1]=4 3144 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C 11a_100015525214_100000716854 [1,1,0,0,0,0|1,0,1]=4 3145 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)C 240690a_100015525214_100000716854 [1,1,0,0,0,0|1,0,1]=4 3146 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl 11a_100015525214_100000184863 [1,1,0,0,0,0|1,0,1]=4 3147 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)Cl 240690a_100015525214_100000184863 [1,1,0,0,0,0|1,0,1]=4 3148 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F 11a_100015525214_100000182136 [1,1,0,0,0,0|1,0,1]=4 3149 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)F 240690a_100015525214_100000182136 [1,1,0,0,0,0|1,0,1]=4 3150 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)I 11a_100015525214_100102526154 [1,1,0,0,0,0|1,0,1]=4 3151 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)I 240690a_100015525214_100102526154 [1,1,0,0,0,0|1,0,1]=4 3152 B14R1.502 CCNC(=O)C=Cc1ccc(cc1)O 240690a_100015525214_100016269017 [1,1,0,0,0,0|1,0,1]=4 3153 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br 11a_100015525214_100000217147 [1,1,0,0,0,0|1,0,1]=4 3154 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br 240690a_100015525214_100000217147 [1,1,0,0,0,0|1,0,1]=4 3155 B14R1.502 CCNC(=O)CCc1ccc(cc1)Br 527a_100015525214_100000217147 [1,1,0,0,0,0|1,0,1]=4 3156 B14R1.502 CCNC(=O)CCc1ccc(cc1)C 11a_100015525214_100000234883 [1,1,0,0,0,0|1,0,1]=4 3157 B14R1.502 CCNC(=O)CCc1ccc(cc1)C 240690a_100015525214_100000234883 [1,1,0,0,0,0|1,0,1]=4 3158 B14R1.502 CCNC(=O)CCc1ccc(cc1)C 527a_100015525214_100000234883 [1,1,0,0,0,0|1,0,1]=4 3159 B14R1.502 CCNC(=O)CCc1ccc(cc1)Cl 11a_100015525214_100000235379 [1,1,0,0,0,0|1,0,1]=4 3160 B14R1.502 CCNC(=O)CCc1ccc(cc1)Cl 240690a_100015525214_100000235379 [1,1,0,0,0,0|1,0,1]=4 3161 B14R1.502 CCNC(=O)CCc1ccc(cc1)Cl 527a_100015525214_100000235379 [1,1,0,0,0,0|1,0,1]=4 3162 B14R1.502 CCNC(=O)CCc1ccc(cc1)F 11a_100015525214_100000198493 [1,1,0,0,0,0|1,0,1]=4 3163 B14R1.502 CCNC(=O)CCc1ccc(cc1)F 240690a_100015525214_100000198493 [1,1,0,0,0,0|1,0,1]=4 3164 B14R1.502 CCNC(=O)CCc1ccc(cc1)F 527a_100015525214_100000198493 [1,1,0,0,0,0|1,0,1]=4 3165 B14R1.502 CCNC(=O)CCc1ccc(cc1)I 11a_100015525214_100011217499 [1,1,0,0,0,0|1,0,1]=4 3166 B14R1.502 CCNC(=O)CCc1ccc(cc1)I 240690a_100015525214_100011217499 [1,1,0,0,0,0|1,0,1]=4 3167 B14R1.502 CCNC(=O)CCc1ccc(cc1)I 527a_100015525214_100011217499 [1,1,0,0,0,0|1,0,1]=4 3168 B14R1.502 CCNC(=O)CCc1ccc(cc1)O 240690a_100015525214_100000742835 [1,1,0,0,0,0|1,0,1]=4 3169 B14R1.502 CCNC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000183381 [1,1,0,0,0,0|2,0,0]=4 3170 B14R1.502 CCNC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000183381 [1,1,0,0,0,0|2,0,0]=4 3171 B14R1.502 CCNC(=O)CNc1ccc(cc1)C 34a_100000124888_100000183381 [1,1,0,0,0,0|2,0,0]=4 3172 B14R1.502 CCNC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000183381 [1,1,0,0,0,0|2,0,0]=4 3173 B14R1.502 CCNC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000183381 [1,1,0,0,0,0|2,0,0]=4 3174 B14R1.502 CCNC(=O)CNc1ccc(cc1)F 34a_100000185862_100000183381 [1,1,0,0,0,0|2,0,0]=4 3175 B14R1.502 CCNC(=O)CNc1ccc(cc1)I 34a_100000185761_100000183381 [1,1,0,0,0,0|2,0,0]=4 3176 B14R1.502 CCNC(=O)CNc1ccc(cc1)O 34a_100000185829_100000183381 [1,1,0,0,0,0|2,0,0]=4 3177 B14R1.502 CCNC(=O)COc1ccc(cc1)Br 11a_100015525214_100000182358 [1,1,0,0,0,0|2,0,0]=4 3178 B14R1.502 CCNC(=O)COc1ccc(cc1)Br 240690a_100015525214_100000182358 [1,1,0,0,0,0|2,0,0]=4 3179 B14R1.502 CCNC(=O)COc1ccc(cc1)Br 34a_100000185759_100000183381 [1,1,0,0,0,0|2,0,0]=4 3180 B14R1.502 CCNC(=O)COc1ccc(cc1)Br 527a_100015525214_100000182358 [1,1,0,0,0,0|2,0,0]=4 3181 B14R1.502 CCNC(=O)COc1ccc(cc1)Br 7a_100000185759_100000183381 [1,1,0,0,0,0|2,0,0]=4 3182 B14R1.502 CCNC(=O)COc1ccc(cc1)C 11a_100015525214_100000182360 [1,1,0,0,0,0|2,0,0]=4 3183 B14R1.502 CCNC(=O)COc1ccc(cc1)C 240690a_100015525214_100000182360 [1,1,0,0,0,0|2,0,0]=4 3184 B14R1.502 CCNC(=O)COc1ccc(cc1)C 34a_100000210336_100000183381 [1,1,0,0,0,0|2,0,0]=4 3185 B14R1.502 CCNC(=O)COc1ccc(cc1)C 527a_100015525214_100000182360 [1,1,0,0,0,0|2,0,0]=4 3186 B14R1.502 CCNC(=O)COc1ccc(cc1)C 7a_100000210336_100000183381 [1,1,0,0,0,0|2,0,0]=4 3187 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 11a_100015525214_100016990877 [1,1,0,0,0,0|2,0,0]=4 3188 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 240690a_100015525214_100016990877 [1,1,0,0,0,0|2,0,0]=4 3189 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183381 [1,1,0,0,0,0|2,0,0]=4 3190 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 527a_100015525214_100016990877 [1,1,0,0,0,0|2,0,0]=4 3191 B14R1.502 CCNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183381 [1,1,0,0,0,0|2,0,0]=4 3192 B14R1.502 CCNC(=O)COc1ccc(cc1)F 11a_100015525214_100000184765 [1,1,0,0,0,0|2,0,0]=4 3193 B14R1.502 CCNC(=O)COc1ccc(cc1)F 240690a_100015525214_100000184765 [1,1,0,0,0,0|2,0,0]=4 3194 B14R1.502 CCNC(=O)COc1ccc(cc1)F 34a_100000210339_100000183381 [1,1,0,0,0,0|2,0,0]=4 3195 B14R1.502 CCNC(=O)COc1ccc(cc1)F 527a_100015525214_100000184765 [1,1,0,0,0,0|2,0,0]=4 3196 B14R1.502 CCNC(=O)COc1ccc(cc1)I 11a_100015525214_100000184369 [1,1,0,0,0,0|2,0,0]=4 3197 B14R1.502 CCNC(=O)COc1ccc(cc1)I 240690a_100015525214_100000184369 [1,1,0,0,0,0|2,0,0]=4 3198 B14R1.502 CCNC(=O)COc1ccc(cc1)I 34a_100000212066_100000183381 [1,1,0,0,0,0|2,0,0]=4 3199 B14R1.502 CCNC(=O)COc1ccc(cc1)I 527a_100015525214_100000184369 [1,1,0,0,0,0|2,0,0]=4 3200 B14R1.502 CCNC(=O)COc1ccc(cc1)I 7a_100000212066_100000183381 [1,1,0,0,0,0|2,0,0]=4 3201 B14R1.502 CCNC(=O)COc1ccc(cc1)N 34a_100000185829_100000183381 [1,1,0,0,0,0|2,0,0]=4 3202 B14R1.502 CCNC(=O)COc1ccc(cc1)O 240690a_100015525214_100000031633 [1,1,0,0,0,0|2,0,0]=4 3203 B14R1.502 CCNC(=O)COc1ccc(cc1)O 527a_100015525214_100000031633 [1,1,0,0,0,0|2,0,0]=4 3204 B14R1.502 CCNC(=O)CSc1ccc(cc1)Br 11a_100015525214_100000179496 [1,1,0,0,0,0|2,0,0]=4 3205 B14R1.502 CCNC(=O)CSc1ccc(cc1)Br 240690a_100015525214_100000179496 [1,1,0,0,0,0|2,0,0]=4 3206 B14R1.502 CCNC(=O)CSc1ccc(cc1)Br 527a_100015525214_100000179496 [1,1,0,0,0,0|2,0,0]=4 3207 B14R1.502 CCNC(=O)CSc1ccc(cc1)Br 62a_100000183381_100000752885 [1,1,0,0,0,0|2,0,0]=4 3208 B14R1.502 CCNC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000183381 [1,1,0,0,0,0|2,0,0]=4 3209 B14R1.502 CCNC(=O)CSc1ccc(cc1)C 11a_100015525214_100000179497 [1,1,0,0,0,0|2,0,0]=4 3210 B14R1.502 CCNC(=O)CSc1ccc(cc1)C 240690a_100015525214_100000179497 [1,1,0,0,0,0|2,0,0]=4 3211 B14R1.502 CCNC(=O)CSc1ccc(cc1)C 527a_100015525214_100000179497 [1,1,0,0,0,0|2,0,0]=4 3212 B14R1.502 CCNC(=O)CSc1ccc(cc1)C 62a_100000183381_100000186775 [1,1,0,0,0,0|2,0,0]=4 3213 B14R1.502 CCNC(=O)CSc1ccc(cc1)C 62a_100000186775_100000183381 [1,1,0,0,0,0|2,0,0]=4 3214 B14R1.502 CCNC(=O)CSc1ccc(cc1)Cl 11a_100015525214_100000178402 [1,1,0,0,0,0|2,0,0]=4 3215 B14R1.502 CCNC(=O)CSc1ccc(cc1)Cl 240690a_100015525214_100000178402 [1,1,0,0,0,0|2,0,0]=4 3216 B14R1.502 CCNC(=O)CSc1ccc(cc1)Cl 527a_100015525214_100000178402 [1,1,0,0,0,0|2,0,0]=4 3217 B14R1.502 CCNC(=O)CSc1ccc(cc1)Cl 62a_100000183381_100000755918 [1,1,0,0,0,0|2,0,0]=4 3218 B14R1.502 CCNC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000183381 [1,1,0,0,0,0|2,0,0]=4 3219 B14R1.502 CCNC(=O)CSc1ccc(cc1)F 11a_100015525214_100000691584 [1,1,0,0,0,0|2,0,0]=4 3220 B14R1.502 CCNC(=O)CSc1ccc(cc1)F 240690a_100015525214_100000691584 [1,1,0,0,0,0|2,0,0]=4 3221 B14R1.502 CCNC(=O)CSc1ccc(cc1)F 527a_100015525214_100000691584 [1,1,0,0,0,0|2,0,0]=4 3222 B14R1.502 CCNC(=O)CSc1ccc(cc1)F 62a_100000183381_100000211213 [1,1,0,0,0,0|2,0,0]=4 3223 B14R1.502 CCNC(=O)CSc1ccc(cc1)F 62a_100000211213_100000183381 [1,1,0,0,0,0|2,0,0]=4 3224 B14R1.502 CCNC(=O)CSc1ccc(cc1)N 62a_100000183381_100000185761 [1,1,0,0,0,0|2,0,0]=4 3225 B14R1.502 CCNC(=O)CSc1ccc(cc1)N 62a_100000185761_100000183381 [1,1,0,0,0,0|2,0,0]=4 3226 B14R1.502 CCNC(=O)CSc1ccc(cc1)O 62a_100000183381_100000185759 [1,1,0,0,0,0|2,0,0]=4 3227 B14R1.502 CCOC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100016304033 [1,1,0,0,0,0|0,0,1]=3 3228 B14R1.502 CCOC(=O)C=Cc1cc[n+](cc1)[O-] 271570a_100010199719_100000039755 [1,1,0,0,0,0|1,0,1]=4 3229 B14R1.502 CCOC(=O)C=Cc1ccc(=O)[nH]c1 271570a_100010199719_100000212171 [1,1,0,0,0,0|1,0,1]=4 3230 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Br 271570a_100010199719_100000752885 [1,1,0,0,0,0|0,0,1]=3 3231 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)C 271570a_100010199719_100000186775 [1,1,0,0,0,0|0,0,1]=3 3232 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)Cl 271570a_100010199719_100000755918 [1,1,0,0,0,0|0,0,1]=3 3233 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)F 271570a_100010199719_100000211213 [1,1,0,0,0,0|0,0,1]=3 3234 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)N 271570a_100010199719_100000185761 [1,1,0,0,0,0|0,0,1]=3 3235 B14R1.502 CCOC(=O)C=Cc1ccc(cc1)O 271570a_100010199719_100000185759 [1,1,0,0,0,0|0,0,1]=3 3236 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)Br 271570a_100010199719_100000686858 [1,1,0,0,0,0|1,0,1]=4 3237 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)C 271570a_100010199719_100000754016 [1,1,0,0,0,0|1,0,1]=4 3238 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)Cl 271570a_100010199719_100011356976 [1,1,0,0,0,0|1,0,1]=4 3239 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)F 271570a_100010199719_100000744514 [1,1,0,0,0,0|1,0,1]=4 3240 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)N 271570a_100010199719_100000744251 [1,1,0,0,0,0|1,0,1]=4 3241 B14R1.502 CCOC(=O)C=Cc1ccc(cn1)O 271570a_100010199719_100000685995 [1,1,0,0,0,0|1,0,1]=4 3242 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Br 271570a_100010199719_100009814638 [1,1,0,0,0,0|1,0,1]=4 3243 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)C 271570a_100010199719_100000751577 [1,1,0,0,0,0|1,0,1]=4 3244 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)Cl 271570a_100010199719_100000034144 [1,1,0,0,0,0|1,0,1]=4 3245 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)F 271570a_100010199719_100000748661 [1,1,0,0,0,0|1,0,1]=4 3246 B14R1.502 CCOC(=O)C=Cc1ccc(nc1)N 271570a_100010199719_100000187370 [1,1,0,0,0,0|1,0,1]=4 3247 B14R1.502 CCOC(=O)CCc1ccc(cc1)O 271570a_203496583355_100012353604 [1,1,0,0,0,0|0,0,1]=3 3248 B14R1.502 CCOC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000188475 [1,1,0,0,0,0|1,0,0]=3 3249 B14R1.502 CCOC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000188475 [1,1,0,0,0,0|1,0,0]=3 3250 B14R1.502 CCOC(=O)CNc1ccc(cc1)C 34a_100000124888_100000188475 [1,1,0,0,0,0|1,0,0]=3 3251 B14R1.502 CCOC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000188475 [1,1,0,0,0,0|1,0,0]=3 3252 B14R1.502 CCOC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000188475 [1,1,0,0,0,0|1,0,0]=3 3253 B14R1.502 CCOC(=O)CNc1ccc(cc1)F 34a_100000185862_100000188475 [1,1,0,0,0,0|1,0,0]=3 3254 B14R1.502 CCOC(=O)CNc1ccc(cc1)I 34a_100000185761_100000188475 [1,1,0,0,0,0|1,0,0]=3 3255 B14R1.502 CCOC(=O)CNc1ccc(cc1)O 271570a_203496583355_200000220479 [1,1,0,0,0,0|1,0,0]=3 3256 B14R1.502 CCOC(=O)CNc1ccc(cc1)O 34a_100000185829_100000188475 [1,1,0,0,0,0|1,0,0]=3 3257 B14R1.502 CCOC(=O)COc1ccc(=O)[nH]c1 34a_100000075641_100000188475 [1,1,0,0,0,0|2,0,0]=4 3258 B14R1.502 CCOC(=O)COc1ccc(cc1)Br 34a_100000185759_100000188475 [1,1,0,0,0,0|1,0,0]=3 3259 B14R1.502 CCOC(=O)COc1ccc(cc1)Br 7a_100000185759_100000188475 [1,1,0,0,0,0|1,0,0]=3 3260 B14R1.502 CCOC(=O)COc1ccc(cc1)C 34a_100000210336_100000188475 [1,1,0,0,0,0|1,0,0]=3 3261 B14R1.502 CCOC(=O)COc1ccc(cc1)C 7a_100000210336_100000188475 [1,1,0,0,0,0|1,0,0]=3 3262 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000188475 [1,1,0,0,0,0|1,0,0]=3 3263 B14R1.502 CCOC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000188475 [1,1,0,0,0,0|1,0,0]=3 3264 B14R1.502 CCOC(=O)COc1ccc(cc1)F 34a_100000210339_100000188475 [1,1,0,0,0,0|1,0,0]=3 3265 B14R1.502 CCOC(=O)COc1ccc(cc1)I 34a_100000212066_100000188475 [1,1,0,0,0,0|1,0,0]=3 3266 B14R1.502 CCOC(=O)COc1ccc(cc1)I 7a_100000212066_100000188475 [1,1,0,0,0,0|1,0,0]=3 3267 B14R1.502 CCOC(=O)COc1ccc(cc1)N 34a_100000185829_100000188475 [1,1,0,0,0,0|1,0,0]=3 3268 B14R1.502 CCOC(=O)COc1ccc(cc1)O 271570a_203496583355_100000170664 [1,1,0,0,0,0|1,0,0]=3 3269 B14R1.502 CCOC(=O)COc1ccc(cn1)C 34a_100000759353_100000188475 [1,1,0,0,0,0|2,0,0]=4 3270 B14R1.502 CCOC(=O)COc1ccc(cn1)Cl 34a_100011215309_100000188475 [1,1,0,0,0,0|2,0,0]=4 3271 B14R1.502 CCOC(=O)COc1ccc(cn1)F 34a_100000742473_100000188475 [1,1,0,0,0,0|2,0,0]=4 3272 B14R1.502 CCOC(=O)COc1ccc(cn1)N 34a_100000729260_100000188475 [1,1,0,0,0,0|2,0,0]=4 3273 B14R1.502 CCOC(=O)COc1ccc(nc1)Br 34a_100000685995_100000188475 [1,1,0,0,0,0|2,0,0]=4 3274 B14R1.502 CCOC(=O)COc1ccc(nc1)Br 7a_100000685995_100000188475 [1,1,0,0,0,0|2,0,0]=4 3275 B14R1.502 CCOC(=O)COc1ccc(nc1)C 34a_100000745506_100000188475 [1,1,0,0,0,0|2,0,0]=4 3276 B14R1.502 CCOC(=O)COc1ccc(nc1)C 7a_100000745506_100000188475 [1,1,0,0,0,0|2,0,0]=4 3277 B14R1.502 CCOC(=O)COc1ccc(nc1)Cl 34a_100000744096_100000188475 [1,1,0,0,0,0|2,0,0]=4 3278 B14R1.502 CCOC(=O)COc1ccc(nc1)Cl 7a_100000744096_100000188475 [1,1,0,0,0,0|2,0,0]=4 3279 B14R1.502 CCOC(=O)COc1ccc(nc1)F 34a_100000688820_100000188475 [1,1,0,0,0,0|2,0,0]=4 3280 B14R1.502 CCOC(=O)COc1ccc(nc1)F 7a_100000688820_100000188475 [1,1,0,0,0,0|2,0,0]=4 3281 B14R1.502 CCOC(=O)COc1ccc(nc1)I 34a_100000687607_100000188475 [1,1,0,0,0,0|2,0,0]=4 3282 B14R1.502 CCOC(=O)COc1ccc(nc1)I 7a_100000687607_100000188475 [1,1,0,0,0,0|2,0,0]=4 3283 B14R1.502 CCOC(=O)COc1ccc(nc1)N 34a_100015188713_100000188475 [1,1,0,0,0,0|2,0,0]=4 3284 B14R1.502 CCOC(=O)COc1ccc(nc1)N 7a_100015188713_100000188475 [1,1,0,0,0,0|2,0,0]=4 3285 B14R1.502 CCOC(=O)CSc1cc[n+](cc1)[O-] 62a_100000188475_100000039755 [1,1,0,0,0,0|2,0,0]=4 3286 B14R1.502 CCOC(=O)CSc1ccc(=O)[nH]c1 62a_100000188475_100000212171 [1,1,0,0,0,0|2,0,0]=4 3287 B14R1.502 CCOC(=O)CSc1ccc(=O)[nH]c1 62a_100000212171_100000188475 [1,1,0,0,0,0|2,0,0]=4 3288 B14R1.502 CCOC(=O)CSc1ccc(cc1)Br 62a_100000188475_100000752885 [1,1,0,0,0,0|1,0,0]=3 3289 B14R1.502 CCOC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000188475 [1,1,0,0,0,0|1,0,0]=3 3290 B14R1.502 CCOC(=O)CSc1ccc(cc1)C 62a_100000186775_100000188475 [1,1,0,0,0,0|1,0,0]=3 3291 B14R1.502 CCOC(=O)CSc1ccc(cc1)C 62a_100000188475_100000186775 [1,1,0,0,0,0|1,0,0]=3 3292 B14R1.502 CCOC(=O)CSc1ccc(cc1)Cl 62a_100000188475_100000755918 [1,1,0,0,0,0|1,0,0]=3 3293 B14R1.502 CCOC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000188475 [1,1,0,0,0,0|1,0,0]=3 3294 B14R1.502 CCOC(=O)CSc1ccc(cc1)F 62a_100000188475_100000211213 [1,1,0,0,0,0|1,0,0]=3 3295 B14R1.502 CCOC(=O)CSc1ccc(cc1)F 62a_100000211213_100000188475 [1,1,0,0,0,0|1,0,0]=3 3296 B14R1.502 CCOC(=O)CSc1ccc(cc1)N 62a_100000185761_100000188475 [1,1,0,0,0,0|1,0,0]=3 3297 B14R1.502 CCOC(=O)CSc1ccc(cc1)N 62a_100000188475_100000185761 [1,1,0,0,0,0|1,0,0]=3 3298 B14R1.502 CCOC(=O)CSc1ccc(cc1)O 62a_100000188475_100000185759 [1,1,0,0,0,0|1,0,0]=3 3299 B14R1.502 CCOC(=O)CSc1ccc(cn1)Br 62a_100000188475_100000686858 [1,1,0,0,0,0|2,0,0]=4 3300 B14R1.502 CCOC(=O)CSc1ccc(cn1)Br 62a_100000686858_100000188475 [1,1,0,0,0,0|2,0,0]=4 3301 B14R1.502 CCOC(=O)CSc1ccc(cn1)C 62a_100000188475_100000754016 [1,1,0,0,0,0|2,0,0]=4 3302 B14R1.502 CCOC(=O)CSc1ccc(cn1)C 62a_100011192072_100000188475 [1,1,0,0,0,0|2,0,0]=4 3303 B14R1.502 CCOC(=O)CSc1ccc(cn1)Cl 62a_100000188475_100011356976 [1,1,0,0,0,0|2,0,0]=4 3304 B14R1.502 CCOC(=O)CSc1ccc(cn1)Cl 62a_100011356976_100000188475 [1,1,0,0,0,0|2,0,0]=4 3305 B14R1.502 CCOC(=O)CSc1ccc(cn1)F 62a_100000188475_100000744514 [1,1,0,0,0,0|2,0,0]=4 3306 B14R1.502 CCOC(=O)CSc1ccc(cn1)F 62a_100000744514_100000188475 [1,1,0,0,0,0|2,0,0]=4 3307 B14R1.502 CCOC(=O)CSc1ccc(cn1)N 62a_100000188475_100000737798 [1,1,0,0,0,0|2,0,0]=4 3308 B14R1.502 CCOC(=O)CSc1ccc(cn1)N 62a_100000737798_100000188475 [1,1,0,0,0,0|2,0,0]=4 3309 B14R1.502 CCOC(=O)CSc1ccc(cn1)O 62a_100000188475_100000744096 [1,1,0,0,0,0|2,0,0]=4 3310 B14R1.502 CCOC(=O)CSc1ccc(cn1)O 62a_100000685995_100000188475 [1,1,0,0,0,0|2,0,0]=4 3311 B14R1.502 CCOC(=O)CSc1ccc(nc1)Br 62a_100000188475_100009814638 [1,1,0,0,0,0|2,0,0]=4 3312 B14R1.502 CCOC(=O)CSc1ccc(nc1)Br 62a_100009814638_100000188475 [1,1,0,0,0,0|2,0,0]=4 3313 B14R1.502 CCOC(=O)CSc1ccc(nc1)C 62a_100000188475_100000751577 [1,1,0,0,0,0|2,0,0]=4 3314 B14R1.502 CCOC(=O)CSc1ccc(nc1)C 62a_100000751577_100000188475 [1,1,0,0,0,0|2,0,0]=4 3315 B14R1.502 CCOC(=O)CSc1ccc(nc1)Cl 62a_100000034144_100000188475 [1,1,0,0,0,0|2,0,0]=4 3316 B14R1.502 CCOC(=O)CSc1ccc(nc1)Cl 62a_100000188475_100000034144 [1,1,0,0,0,0|2,0,0]=4 3317 B14R1.502 CCOC(=O)CSc1ccc(nc1)F 62a_100000042367_100000188475 [1,1,0,0,0,0|2,0,0]=4 3318 B14R1.502 CCOC(=O)CSc1ccc(nc1)F 62a_100000188475_100000042367 [1,1,0,0,0,0|2,0,0]=4 3319 B14R1.502 CCOC(=O)CSc1ccc(nc1)N 62a_100000187370_100000188475 [1,1,0,0,0,0|2,0,0]=4 3320 B14R1.502 CCOC(=O)CSc1ccc(nc1)N 62a_100000188475_100000187370 [1,1,0,0,0,0|2,0,0]=4 3321 B14R1.598 CCCC(=O)C=Cc1ccccc1Br 1458a_100000719032_100000210303 [1,1,0,0,0,0|1,0,1]=4 3322 B14R1.598 CCCC(=O)C=Cc1ccccc1Cl 1458a_100000720304_100000210303 [1,1,0,0,0,0|1,0,1]=4 3323 B14R1.598 CCCC(=O)C=Cc1ccccc1F 1458a_100016256065_100000210303 [1,1,0,0,0,0|1,0,1]=4 3324 B14R1.598 CCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100000210303 [1,1,0,0,0,0|1,0,1]=4 3325 B14R1.598 CCCC(=O)CCc1ccccc1Br 1458a_100000211992_100012161201 [1,1,0,0,0,0|1,0,1]=4 3326 B14R1.598 CCCC(=O)CCc1ccccc1Br 1458a_100000740810_100000210303 [1,1,0,0,0,0|1,0,1]=4 3327 B14R1.598 CCCC(=O)CCc1ccccc1C 1458a_100000211992_100011713688 [1,1,0,0,0,0|1,0,1]=4 3328 B14R1.598 CCCC(=O)CCc1ccccc1C 1458a_100000748742_100000210303 [1,1,0,0,0,0|1,0,1]=4 3329 B14R1.598 CCCC(=O)CCc1ccccc1Cl 1458a_100000184300_100000210303 [1,1,0,0,0,0|1,0,1]=4 3330 B14R1.598 CCCC(=O)CCc1ccccc1Cl 1458a_100000211992_100011713703 [1,1,0,0,0,0|1,0,1]=4 3331 B14R1.598 CCCC(=O)CCc1ccccc1F 1458a_100000189703_100000210303 [1,1,0,0,0,0|1,0,1]=4 3332 B14R1.598 CCCC(=O)CCc1ccccc1F 1458a_100000211992_100000720011 [1,1,0,0,0,0|1,0,1]=4 3333 B14R1.598 CCCC(=O)CCc1ccccc1I 1458a_100000037306_100000210303 [1,1,0,0,0,0|1,0,1]=4 3334 B14R1.598 CCCC(=O)CCc1ccccc1O 1458a_100000181328_100000210303 [1,1,0,0,0,0|1,0,1]=4 3335 B14R1.598 CCCC(=O)CCc1ccccc1O 1458a_100000211992_100000722297 [1,1,0,0,0,0|1,0,1]=4 3336 B14R1.598 CCCC(=O)COc1ccccc1Br 1458a_100000216496_100000210303 [1,1,0,0,0,0|2,0,0]=4 3337 B14R1.598 CCCC(=O)COc1ccccc1Br 7a_100000181306_100000747444 [1,1,0,0,0,0|2,0,0]=4 3338 B14R1.598 CCCC(=O)COc1ccccc1C 1458a_100000182418_100000210303 [1,1,0,0,0,0|2,0,0]=4 3339 B14R1.598 CCCC(=O)COc1ccccc1C 7a_100000210338_100000747444 [1,1,0,0,0,0|2,0,0]=4 3340 B14R1.598 CCCC(=O)COc1ccccc1Cl 1458a_100000185159_100000210303 [1,1,0,0,0,0|2,0,0]=4 3341 B14R1.598 CCCC(=O)COc1ccccc1Cl 7a_100000210172_100000747444 [1,1,0,0,0,0|2,0,0]=4 3342 B14R1.598 CCCC(=O)COc1ccccc1F 1458a_100000182486_100000210303 [1,1,0,0,0,0|2,0,0]=4 3343 B14R1.598 CCCC(=O)COc1ccccc1F 7a_100000210171_100000747444 [1,1,0,0,0,0|2,0,0]=4 3344 B14R1.598 CCCC(=O)COc1ccccc1I 7a_100000739446_100000747444 [1,1,0,0,0,0|2,0,0]=4 3345 B14R1.598 CCCC(=O)COc1ccccc1N 7a_100000185747_100000747444 [1,1,0,0,0,0|2,0,0]=4 3346 B14R1.598 CCCC(=O)COc1ccccc1O 1458a_100000183020_100000210303 [1,1,0,0,0,0|2,0,0]=4 3347 B14R1.598 CCCC(=O)CSc1ccccc1Br 62a_100000695589_100000747444 [1,1,0,0,0,0|2,0,0]=4 3348 B14R1.598 CCCC(=O)CSc1ccccc1Br 62a_100000747444_100000695589 [1,1,0,0,0,0|2,0,0]=4 3349 B14R1.598 CCCC(=O)CSc1ccccc1C 1458a_100000183026_100000210303 [1,1,0,0,0,0|2,0,0]=4 3350 B14R1.598 CCCC(=O)CSc1ccccc1C 62a_100000210755_100000747444 [1,1,0,0,0,0|2,0,0]=4 3351 B14R1.598 CCCC(=O)CSc1ccccc1C 62a_100000747444_100000210755 [1,1,0,0,0,0|2,0,0]=4 3352 B14R1.598 CCCC(=O)CSc1ccccc1Cl 62a_100000747444_100000764095 [1,1,0,0,0,0|2,0,0]=4 3353 B14R1.598 CCCC(=O)CSc1ccccc1Cl 62a_100000764095_100000747444 [1,1,0,0,0,0|2,0,0]=4 3354 B14R1.598 CCCC(=O)CSc1ccccc1F 1458a_100000179528_100000210303 [1,1,0,0,0,0|2,0,0]=4 3355 B14R1.598 CCCC(=O)CSc1ccccc1F 62a_100000747444_100011215700 [1,1,0,0,0,0|2,0,0]=4 3356 B14R1.598 CCCC(=O)CSc1ccccc1F 62a_100011215700_100000747444 [1,1,0,0,0,0|2,0,0]=4 3357 B14R1.598 CCCC(=O)CSc1ccccc1N 62a_100000210017_100000747444 [1,1,0,0,0,0|2,0,0]=4 3358 B14R1.598 CCCC(=O)CSc1ccccc1N 62a_100000747444_100000210017 [1,1,0,0,0,0|2,0,0]=4 3359 B14R1.598 CCCC(=O)CSc1ccccc1O 1458a_100000695322_100000210303 [1,1,0,0,0,0|2,0,0]=4 3360 B14R1.598 CCCC(=O)CSc1ccccc1O 62a_100000739446_100000747444 [1,1,0,0,0,0|2,0,0]=4 3361 B14R1.598 CCCC(=O)CSc1ccccc1O 62a_100000747444_100000739446 [1,1,0,0,0,0|2,0,0]=4 3362 B14R1.598 CCNC(=O)C=Cc1ccccc1Br 11a_100015525214_100000719032 [1,1,0,0,0,0|1,0,1]=4 3363 B14R1.598 CCNC(=O)C=Cc1ccccc1Br 240690a_100015525214_100000719032 [1,1,0,0,0,0|1,0,1]=4 3364 B14R1.598 CCNC(=O)C=Cc1ccccc1Cl 11a_100015525214_100000720304 [1,1,0,0,0,0|1,0,1]=4 3365 B14R1.598 CCNC(=O)C=Cc1ccccc1Cl 240690a_100015525214_100000720304 [1,1,0,0,0,0|1,0,1]=4 3366 B14R1.598 CCNC(=O)C=Cc1ccccc1F 11a_100015525214_100016256065 [1,1,0,0,0,0|1,0,1]=4 3367 B14R1.598 CCNC(=O)C=Cc1ccccc1F 240690a_100015525214_100016256065 [1,1,0,0,0,0|1,0,1]=4 3368 B14R1.598 CCNC(=O)CCc1ccccc1Br 11a_100015525214_100000740810 [1,1,0,0,0,0|1,0,1]=4 3369 B14R1.598 CCNC(=O)CCc1ccccc1Br 240690a_100015525214_100000740810 [1,1,0,0,0,0|1,0,1]=4 3370 B14R1.598 CCNC(=O)CCc1ccccc1Br 527a_100015525214_100000740810 [1,1,0,0,0,0|1,0,1]=4 3371 B14R1.598 CCNC(=O)CCc1ccccc1C 11a_100015525214_100000748742 [1,1,0,0,0,0|1,0,1]=4 3372 B14R1.598 CCNC(=O)CCc1ccccc1C 240690a_100015525214_100000748742 [1,1,0,0,0,0|1,0,1]=4 3373 B14R1.598 CCNC(=O)CCc1ccccc1C 527a_100015525214_100000748742 [1,1,0,0,0,0|1,0,1]=4 3374 B14R1.598 CCNC(=O)CCc1ccccc1Cl 11a_100015525214_100000184300 [1,1,0,0,0,0|1,0,1]=4 3375 B14R1.598 CCNC(=O)CCc1ccccc1Cl 240690a_100015525214_100000184300 [1,1,0,0,0,0|1,0,1]=4 3376 B14R1.598 CCNC(=O)CCc1ccccc1Cl 527a_100015525214_100000184300 [1,1,0,0,0,0|1,0,1]=4 3377 B14R1.598 CCNC(=O)CCc1ccccc1F 11a_100015525214_100000189703 [1,1,0,0,0,0|1,0,1]=4 3378 B14R1.598 CCNC(=O)CCc1ccccc1F 240690a_100015525214_100000189703 [1,1,0,0,0,0|1,0,1]=4 3379 B14R1.598 CCNC(=O)CCc1ccccc1F 527a_100015525214_100000189703 [1,1,0,0,0,0|1,0,1]=4 3380 B14R1.598 CCNC(=O)CCc1ccccc1I 11a_100015525214_100000037306 [1,1,0,0,0,0|1,0,1]=4 3381 B14R1.598 CCNC(=O)CCc1ccccc1I 240690a_100015525214_100000037306 [1,1,0,0,0,0|1,0,1]=4 3382 B14R1.598 CCNC(=O)CCc1ccccc1I 527a_100015525214_100000037306 [1,1,0,0,0,0|1,0,1]=4 3383 B14R1.598 CCNC(=O)CCc1ccccc1O 11a_100015525214_100000181328 [1,1,0,0,0,0|1,0,1]=4 3384 B14R1.598 CCNC(=O)CCc1ccccc1O 240690a_100015525214_100000181328 [1,1,0,0,0,0|1,0,1]=4 3385 B14R1.598 CCNC(=O)CCc1ccccc1O 527a_100015525214_100000181328 [1,1,0,0,0,0|1,0,1]=4 3386 B14R1.598 CCNC(=O)CNc1ccccc1Br 34a_100000210017_100000183381 [1,1,0,0,0,0|2,0,0]=4 3387 B14R1.598 CCNC(=O)CNc1ccccc1C 34a_100015192222_100000183381 [1,1,0,0,0,0|2,0,0]=4 3388 B14R1.598 CCNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183381 [1,1,0,0,0,0|2,0,0]=4 3389 B14R1.598 CCNC(=O)CNc1ccccc1F 34a_100000210422_100000183381 [1,1,0,0,0,0|2,0,0]=4 3390 B14R1.598 CCNC(=O)CNc1ccccc1I 34a_100000210053_100000183381 [1,1,0,0,0,0|2,0,0]=4 3391 B14R1.598 CCNC(=O)CNc1ccccc1O 34a_100000185747_100000183381 [1,1,0,0,0,0|2,0,0]=4 3392 B14R1.598 CCNC(=O)COc1ccccc1Br 11a_100015525214_100000216496 [1,1,0,0,0,0|2,0,0]=4 3393 B14R1.598 CCNC(=O)COc1ccccc1Br 240690a_100015525214_100000216496 [1,1,0,0,0,0|2,0,0]=4 3394 B14R1.598 CCNC(=O)COc1ccccc1Br 34a_100000181306_100000183381 [1,1,0,0,0,0|2,0,0]=4 3395 B14R1.598 CCNC(=O)COc1ccccc1Br 527a_100015525214_100000216496 [1,1,0,0,0,0|2,0,0]=4 3396 B14R1.598 CCNC(=O)COc1ccccc1Br 7a_100000181306_100000183381 [1,1,0,0,0,0|2,0,0]=4 3397 B14R1.598 CCNC(=O)COc1ccccc1C 11a_100015525214_100000182418 [1,1,0,0,0,0|2,0,0]=4 3398 B14R1.598 CCNC(=O)COc1ccccc1C 240690a_100015525214_100000182418 [1,1,0,0,0,0|2,0,0]=4 3399 B14R1.598 CCNC(=O)COc1ccccc1C 34a_100000210338_100000183381 [1,1,0,0,0,0|2,0,0]=4 3400 B14R1.598 CCNC(=O)COc1ccccc1C 527a_100015525214_100000182418 [1,1,0,0,0,0|2,0,0]=4 3401 B14R1.598 CCNC(=O)COc1ccccc1C 7a_100000210338_100000183381 [1,1,0,0,0,0|2,0,0]=4 3402 B14R1.598 CCNC(=O)COc1ccccc1Cl 11a_100015525214_100000185159 [1,1,0,0,0,0|2,0,0]=4 3403 B14R1.598 CCNC(=O)COc1ccccc1Cl 240690a_100015525214_100000185159 [1,1,0,0,0,0|2,0,0]=4 3404 B14R1.598 CCNC(=O)COc1ccccc1Cl 34a_100000210172_100000183381 [1,1,0,0,0,0|2,0,0]=4 3405 B14R1.598 CCNC(=O)COc1ccccc1Cl 527a_100015525214_100000185159 [1,1,0,0,0,0|2,0,0]=4 3406 B14R1.598 CCNC(=O)COc1ccccc1Cl 7a_100000210172_100000183381 [1,1,0,0,0,0|2,0,0]=4 3407 B14R1.598 CCNC(=O)COc1ccccc1F 11a_100015525214_100000182486 [1,1,0,0,0,0|2,0,0]=4 3408 B14R1.598 CCNC(=O)COc1ccccc1F 240690a_100015525214_100000182486 [1,1,0,0,0,0|2,0,0]=4 3409 B14R1.598 CCNC(=O)COc1ccccc1F 34a_100000210171_100000183381 [1,1,0,0,0,0|2,0,0]=4 3410 B14R1.598 CCNC(=O)COc1ccccc1F 527a_100015525214_100000182486 [1,1,0,0,0,0|2,0,0]=4 3411 B14R1.598 CCNC(=O)COc1ccccc1F 7a_100000210171_100000183381 [1,1,0,0,0,0|2,0,0]=4 3412 B14R1.598 CCNC(=O)COc1ccccc1I 34a_100000739446_100000183381 [1,1,0,0,0,0|2,0,0]=4 3413 B14R1.598 CCNC(=O)COc1ccccc1I 7a_100000739446_100000183381 [1,1,0,0,0,0|2,0,0]=4 3414 B14R1.598 CCNC(=O)COc1ccccc1N 34a_100000185747_100000183381 [1,1,0,0,0,0|2,0,0]=4 3415 B14R1.598 CCNC(=O)COc1ccccc1N 7a_100000185747_100000183381 [1,1,0,0,0,0|2,0,0]=4 3416 B14R1.598 CCNC(=O)COc1ccccc1O 240690a_100015525214_100000183020 [1,1,0,0,0,0|2,0,0]=4 3417 B14R1.598 CCNC(=O)COc1ccccc1O 527a_100015525214_100000183020 [1,1,0,0,0,0|2,0,0]=4 3418 B14R1.598 CCNC(=O)CSc1ccccc1Br 62a_100000183381_100000695589 [1,1,0,0,0,0|2,0,0]=4 3419 B14R1.598 CCNC(=O)CSc1ccccc1Br 62a_100000695589_100000183381 [1,1,0,0,0,0|2,0,0]=4 3420 B14R1.598 CCNC(=O)CSc1ccccc1C 11a_100015525214_100000183026 [1,1,0,0,0,0|2,0,0]=4 3421 B14R1.598 CCNC(=O)CSc1ccccc1C 240690a_100015525214_100000183026 [1,1,0,0,0,0|2,0,0]=4 3422 B14R1.598 CCNC(=O)CSc1ccccc1C 527a_100015525214_100000183026 [1,1,0,0,0,0|2,0,0]=4 3423 B14R1.598 CCNC(=O)CSc1ccccc1C 62a_100000183381_100000210755 [1,1,0,0,0,0|2,0,0]=4 3424 B14R1.598 CCNC(=O)CSc1ccccc1C 62a_100000210755_100000183381 [1,1,0,0,0,0|2,0,0]=4 3425 B14R1.598 CCNC(=O)CSc1ccccc1Cl 62a_100000183381_100000764095 [1,1,0,0,0,0|2,0,0]=4 3426 B14R1.598 CCNC(=O)CSc1ccccc1Cl 62a_100000764095_100000183381 [1,1,0,0,0,0|2,0,0]=4 3427 B14R1.598 CCNC(=O)CSc1ccccc1F 11a_100015525214_100000179528 [1,1,0,0,0,0|2,0,0]=4 3428 B14R1.598 CCNC(=O)CSc1ccccc1F 240690a_100015525214_100000179528 [1,1,0,0,0,0|2,0,0]=4 3429 B14R1.598 CCNC(=O)CSc1ccccc1F 62a_100000183381_100011215700 [1,1,0,0,0,0|2,0,0]=4 3430 B14R1.598 CCNC(=O)CSc1ccccc1F 62a_100011215700_100000183381 [1,1,0,0,0,0|2,0,0]=4 3431 B14R1.598 CCNC(=O)CSc1ccccc1N 62a_100000183381_100000210017 [1,1,0,0,0,0|2,0,0]=4 3432 B14R1.598 CCNC(=O)CSc1ccccc1N 62a_100000210017_100000183381 [1,1,0,0,0,0|2,0,0]=4 3433 B14R1.598 CCNC(=O)CSc1ccccc1O 240690a_100015525214_100000695322 [1,1,0,0,0,0|2,0,0]=4 3434 B14R1.598 CCNC(=O)CSc1ccccc1O 527a_100015525214_100000695322 [1,1,0,0,0,0|2,0,0]=4 3435 B14R1.598 CCNC(=O)CSc1ccccc1O 62a_100000183381_100000739446 [1,1,0,0,0,0|2,0,0]=4 3436 B14R1.598 CCNC(=O)CSc1ccccc1O 62a_100000739446_100000183381 [1,1,0,0,0,0|2,0,0]=4 3437 B14R1.598 CCOC(=O)/C=C/c1ccccc1O 271570a_203496583355_100016317929 [1,1,0,0,0,0|0,0,1]=3 3438 B14R1.598 CCOC(=O)/C=C/c1cccnc1O 271570a_203496583355_200020681690 [1,1,0,0,0,0|1,0,1]=4 3439 B14R1.598 CCOC(=O)C=Cc1c[nH]ccc1=O 271570a_100010199719_100009998708 [1,1,0,0,0,0|1,0,1]=4 3440 B14R1.598 CCOC(=O)C=Cc1c[nH]ccc1=S 271570a_100010199719_200012280681 [1,1,0,0,0,0|1,0,1]=4 3441 B14R1.598 CCOC(=O)C=Cc1ccc[nH]c1=O 271570a_100010199719_100000050042 [1,1,0,0,0,0|1,0,1]=4 3442 B14R1.598 CCOC(=O)C=Cc1cccc[n+]1C 271570a_100010199719_100000212160 [1,1,0,0,0,0|1,0,1]=4 3443 B14R1.598 CCOC(=O)C=Cc1cccc[n+]1[O-] 271570a_100010199719_200000042595 [1,1,0,0,0,0|1,0,1]=4 3444 B14R1.598 CCOC(=O)C=Cc1ccccc1Br 271570a_100010199719_100000695589 [1,1,0,0,0,0|0,0,1]=3 3445 B14R1.598 CCOC(=O)C=Cc1ccccc1C 271570a_100010199719_100000210755 [1,1,0,0,0,0|0,0,1]=3 3446 B14R1.598 CCOC(=O)C=Cc1ccccc1Cl 271570a_100010199719_100000764095 [1,1,0,0,0,0|0,0,1]=3 3447 B14R1.598 CCOC(=O)C=Cc1ccccc1F 271570a_100010199719_100011215700 [1,1,0,0,0,0|0,0,1]=3 3448 B14R1.598 CCOC(=O)C=Cc1ccccc1N 271570a_100010199719_100000210017 [1,1,0,0,0,0|0,0,1]=3 3449 B14R1.598 CCOC(=O)C=Cc1ccccc1O 271570a_100010199719_100000739446 [1,1,0,0,0,0|0,0,1]=3 3450 B14R1.598 CCOC(=O)C=Cc1cccnc1Br 271570a_100010199719_100010202626 [1,1,0,0,0,0|1,0,1]=4 3451 B14R1.598 CCOC(=O)C=Cc1cccnc1C 271570a_100010199719_100000751574 [1,1,0,0,0,0|1,0,1]=4 3452 B14R1.598 CCOC(=O)C=Cc1cccnc1Cl 271570a_100010199719_100000036424 [1,1,0,0,0,0|1,0,1]=4 3453 B14R1.598 CCOC(=O)C=Cc1cccnc1F 271570a_100010199719_100009816115 [1,1,0,0,0,0|1,0,1]=4 3454 B14R1.598 CCOC(=O)C=Cc1cccnc1N 271570a_100010199719_100000045569 [1,1,0,0,0,0|1,0,1]=4 3455 B14R1.598 CCOC(=O)C=Cc1ccncc1Br 271570a_100010199719_100000726257 [1,1,0,0,0,0|1,0,1]=4 3456 B14R1.598 CCOC(=O)C=Cc1ccncc1C 271570a_100010199719_100015191297 [1,1,0,0,0,0|1,0,1]=4 3457 B14R1.598 CCOC(=O)C=Cc1ccncc1Cl 271570a_100010199719_100000708259 [1,1,0,0,0,0|1,0,1]=4 3458 B14R1.598 CCOC(=O)C=Cc1ccncc1F 271570a_100010199719_100000047030 [1,1,0,0,0,0|1,0,1]=4 3459 B14R1.598 CCOC(=O)C=Cc1ccncc1N 271570a_100010199719_100009815883 [1,1,0,0,0,0|1,0,1]=4 3460 B14R1.598 CCOC(=O)C=Cc1ccncc1O 271570a_100010199719_100009817591 [1,1,0,0,0,0|1,0,1]=4 3461 B14R1.598 CCOC(=O)C=Cc1cnccc1Br 271570a_100010199719_100010138639 [1,1,0,0,0,0|1,0,1]=4 3462 B14R1.598 CCOC(=O)C=Cc1cnccc1C 271570a_100010199719_100000761580 [1,1,0,0,0,0|1,0,1]=4 3463 B14R1.598 CCOC(=O)C=Cc1cnccc1Cl 271570a_100010199719_100009995489 [1,1,0,0,0,0|1,0,1]=4 3464 B14R1.598 CCOC(=O)C=Cc1cnccc1F 271570a_100010199719_100009820683 [1,1,0,0,0,0|1,0,1]=4 3465 B14R1.598 CCOC(=O)C=Cc1cnccc1N 271570a_100010199719_100000047001 [1,1,0,0,0,0|1,0,1]=4 3466 B14R1.598 CCOC(=O)C=Cc1ncccc1Br 271570a_100010199719_100000696092 [1,1,0,0,0,0|1,0,1]=4 3467 B14R1.598 CCOC(=O)C=Cc1ncccc1C 271570a_100010199719_100000751373 [1,1,0,0,0,0|1,0,1]=4 3468 B14R1.598 CCOC(=O)C=Cc1ncccc1Cl 271570a_100010199719_100011356963 [1,1,0,0,0,0|1,0,1]=4 3469 B14R1.598 CCOC(=O)C=Cc1ncccc1F 271570a_100010199719_100000685392 [1,1,0,0,0,0|1,0,1]=4 3470 B14R1.598 CCOC(=O)C=Cc1ncccc1N 271570a_100010199719_100000688686 [1,1,0,0,0,0|1,0,1]=4 3471 B14R1.598 CCOC(=O)C=Cc1ncccc1O 271570a_100010199719_100000034122 [1,1,0,0,0,0|1,0,1]=4 3472 B14R1.598 CCOC(=O)CCc1ccccc1O 271570a_203496583355_100009815309 [1,1,0,0,0,0|0,0,1]=3 3473 B14R1.598 CCOC(=O)CNc1ccccc1Br 34a_100000210017_100000188475 [1,1,0,0,0,0|1,0,0]=3 3474 B14R1.598 CCOC(=O)CNc1ccccc1C 34a_100015192222_100000188475 [1,1,0,0,0,0|1,0,0]=3 3475 B14R1.598 CCOC(=O)CNc1ccccc1Cl 34a_100000185783_100000188475 [1,1,0,0,0,0|1,0,0]=3 3476 B14R1.598 CCOC(=O)CNc1ccccc1F 34a_100000210422_100000188475 [1,1,0,0,0,0|1,0,0]=3 3477 B14R1.598 CCOC(=O)CNc1ccccc1I 34a_100000210053_100000188475 [1,1,0,0,0,0|1,0,0]=3 3478 B14R1.598 CCOC(=O)CNc1ccccc1O 34a_100000185747_100000188475 [1,1,0,0,0,0|1,0,0]=3 3479 B14R1.598 CCOC(=O)COc1cccc[n+]1[O-] 7a_100000211761_100000188475 [1,1,0,0,0,0|2,0,0]=4 3480 B14R1.598 CCOC(=O)COc1ccccc1Br 34a_100000181306_100000188475 [1,1,0,0,0,0|1,0,0]=3 3481 B14R1.598 CCOC(=O)COc1ccccc1Br 7a_100000181306_100000188475 [1,1,0,0,0,0|1,0,0]=3 3482 B14R1.598 CCOC(=O)COc1ccccc1C 34a_100000210338_100000188475 [1,1,0,0,0,0|1,0,0]=3 3483 B14R1.598 CCOC(=O)COc1ccccc1C 7a_100000210338_100000188475 [1,1,0,0,0,0|1,0,0]=3 3484 B14R1.598 CCOC(=O)COc1ccccc1Cl 34a_100000210172_100000188475 [1,1,0,0,0,0|1,0,0]=3 3485 B14R1.598 CCOC(=O)COc1ccccc1Cl 7a_100000210172_100000188475 [1,1,0,0,0,0|1,0,0]=3 3486 B14R1.598 CCOC(=O)COc1ccccc1F 34a_100000210171_100000188475 [1,1,0,0,0,0|1,0,0]=3 3487 B14R1.598 CCOC(=O)COc1ccccc1F 7a_100000210171_100000188475 [1,1,0,0,0,0|1,0,0]=3 3488 B14R1.598 CCOC(=O)COc1ccccc1I 34a_100000739446_100000188475 [1,1,0,0,0,0|1,0,0]=3 3489 B14R1.598 CCOC(=O)COc1ccccc1I 7a_100000739446_100000188475 [1,1,0,0,0,0|1,0,0]=3 3490 B14R1.598 CCOC(=O)COc1ccccc1N 34a_100000185747_100000188475 [1,1,0,0,0,0|1,0,0]=3 3491 B14R1.598 CCOC(=O)COc1ccccc1N 7a_100000185747_100000188475 [1,1,0,0,0,0|1,0,0]=3 3492 B14R1.598 CCOC(=O)COc1ccccc1O 271570a_203496583355_100000174061 [1,1,0,0,0,0|1,0,0]=3 3493 B14R1.598 CCOC(=O)COc1cccnc1Br 34a_100000744436_100000188475 [1,1,0,0,0,0|2,0,0]=4 3494 B14R1.598 CCOC(=O)COc1cccnc1Br 7a_100000744436_100000188475 [1,1,0,0,0,0|2,0,0]=4 3495 B14R1.598 CCOC(=O)COc1cccnc1C 34a_100000745507_100000188475 [1,1,0,0,0,0|2,0,0]=4 3496 B14R1.598 CCOC(=O)COc1cccnc1C 7a_100000745507_100000188475 [1,1,0,0,0,0|2,0,0]=4 3497 B14R1.598 CCOC(=O)COc1cccnc1Cl 34a_100000757616_100000188475 [1,1,0,0,0,0|2,0,0]=4 3498 B14R1.598 CCOC(=O)COc1cccnc1Cl 7a_100000757616_100000188475 [1,1,0,0,0,0|2,0,0]=4 3499 B14R1.598 CCOC(=O)COc1cccnc1F 34a_100000061740_100000188475 [1,1,0,0,0,0|2,0,0]=4 3500 B14R1.598 CCOC(=O)COc1cccnc1F 7a_100000061740_100000188475 [1,1,0,0,0,0|2,0,0]=4 3501 B14R1.598 CCOC(=O)COc1cccnc1I 34a_100000034122_100000188475 [1,1,0,0,0,0|2,0,0]=4 3502 B14R1.598 CCOC(=O)COc1cccnc1I 7a_100000034122_100000188475 [1,1,0,0,0,0|2,0,0]=4 3503 B14R1.598 CCOC(=O)COc1cccnc1N 34a_100000211975_100000188475 [1,1,0,0,0,0|2,0,0]=4 3504 B14R1.598 CCOC(=O)COc1cccnc1N 7a_100000211975_100000188475 [1,1,0,0,0,0|2,0,0]=4 3505 B14R1.598 CCOC(=O)COc1cccoc1=O 34a_100000077404_100000188475 [1,1,0,0,0,0|2,0,0]=4 3506 B14R1.598 CCOC(=O)COc1cccoc1=O 7a_100000077404_100000188475 [1,1,0,0,0,0|2,0,0]=4 3507 B14R1.598 CCOC(=O)COc1ccncc1Br 34a_100011996408_100000188475 [1,1,0,0,0,0|2,0,0]=4 3508 B14R1.598 CCOC(=O)COc1ccncc1C 34a_100000694293_100000188475 [1,1,0,0,0,0|2,0,0]=4 3509 B14R1.598 CCOC(=O)COc1ccncc1Cl 34a_100011997054_100000188475 [1,1,0,0,0,0|2,0,0]=4 3510 B14R1.598 CCOC(=O)COc1ccncc1F 34a_200000081243_100000188475 [1,1,0,0,0,0|2,0,0]=4 3511 B14R1.598 CCOC(=O)COc1cnccc1C 34a_100011997053_100000188475 [1,1,0,0,0,0|2,0,0]=4 3512 B14R1.598 CCOC(=O)COc1cnccc1C 7a_100011997053_100000188475 [1,1,0,0,0,0|2,0,0]=4 3513 B14R1.598 CCOC(=O)COc1cnccc1Cl 34a_100011996695_100000188475 [1,1,0,0,0,0|2,0,0]=4 3514 B14R1.598 CCOC(=O)COc1cnccc1I 34a_100000050107_100000188475 [1,1,0,0,0,0|2,0,0]=4 3515 B14R1.598 CCOC(=O)COc1cnccc1N 34a_100000753702_100000188475 [1,1,0,0,0,0|2,0,0]=4 3516 B14R1.598 CCOC(=O)COc1coccc1=O 34a_100000060831_100000188475 [1,1,0,0,0,0|2,0,0]=4 3517 B14R1.598 CCOC(=O)COc1ncccc1Cl 34a_100011290957_100000188475 [1,1,0,0,0,0|2,0,0]=4 3518 B14R1.598 CCOC(=O)COc1ncccc1F 34a_100011219419_100000188475 [1,1,0,0,0,0|2,0,0]=4 3519 B14R1.598 CCOC(=O)COc1ncccc1N 34a_100000746358_100000188475 [1,1,0,0,0,0|2,0,0]=4 3520 B14R1.598 CCOC(=O)CSc1c[nH]ccc1=O 62a_100000188475_100009998708 [1,1,0,0,0,0|2,0,0]=4 3521 B14R1.598 CCOC(=O)CSc1c[nH]ccc1=O 62a_100009998708_100000188475 [1,1,0,0,0,0|2,0,0]=4 3522 B14R1.598 CCOC(=O)CSc1c[nH]ccc1=S 62a_100000188475_200012280681 [1,1,0,0,0,0|2,0,0]=4 3523 B14R1.598 CCOC(=O)CSc1c[nH]ccc1=S 62a_200012280681_100000188475 [1,1,0,0,0,0|2,0,0]=4 3524 B14R1.598 CCOC(=O)CSc1cccc[n+]1C 62a_100000188475_100000212160 [1,1,0,0,0,0|2,0,0]=4 3525 B14R1.598 CCOC(=O)CSc1cccc[n+]1[O-] 62a_100000188475_200000042595 [1,1,0,0,0,0|2,0,0]=4 3526 B14R1.598 CCOC(=O)CSc1ccccc1Br 62a_100000188475_100000695589 [1,1,0,0,0,0|1,0,0]=3 3527 B14R1.598 CCOC(=O)CSc1ccccc1Br 62a_100000695589_100000188475 [1,1,0,0,0,0|1,0,0]=3 3528 B14R1.598 CCOC(=O)CSc1ccccc1C 62a_100000188475_100000210755 [1,1,0,0,0,0|1,0,0]=3 3529 B14R1.598 CCOC(=O)CSc1ccccc1C 62a_100000210755_100000188475 [1,1,0,0,0,0|1,0,0]=3 3530 B14R1.598 CCOC(=O)CSc1ccccc1Cl 62a_100000188475_100000764095 [1,1,0,0,0,0|1,0,0]=3 3531 B14R1.598 CCOC(=O)CSc1ccccc1Cl 62a_100000764095_100000188475 [1,1,0,0,0,0|1,0,0]=3 3532 B14R1.598 CCOC(=O)CSc1ccccc1F 62a_100000188475_100011215700 [1,1,0,0,0,0|1,0,0]=3 3533 B14R1.598 CCOC(=O)CSc1ccccc1F 62a_100011215700_100000188475 [1,1,0,0,0,0|1,0,0]=3 3534 B14R1.598 CCOC(=O)CSc1ccccc1N 62a_100000188475_100000210017 [1,1,0,0,0,0|1,0,0]=3 3535 B14R1.598 CCOC(=O)CSc1ccccc1N 62a_100000210017_100000188475 [1,1,0,0,0,0|1,0,0]=3 3536 B14R1.598 CCOC(=O)CSc1ccccc1O 62a_100000188475_100000739446 [1,1,0,0,0,0|1,0,0]=3 3537 B14R1.598 CCOC(=O)CSc1ccccc1O 62a_100000739446_100000188475 [1,1,0,0,0,0|1,0,0]=3 3538 B14R1.598 CCOC(=O)CSc1cccnc1Br 62a_100000188475_100010202626 [1,1,0,0,0,0|2,0,0]=4 3539 B14R1.598 CCOC(=O)CSc1cccnc1Br 62a_100010202626_100000188475 [1,1,0,0,0,0|2,0,0]=4 3540 B14R1.598 CCOC(=O)CSc1cccnc1C 62a_100000188475_100000751574 [1,1,0,0,0,0|2,0,0]=4 3541 B14R1.598 CCOC(=O)CSc1cccnc1C 62a_100000751574_100000188475 [1,1,0,0,0,0|2,0,0]=4 3542 B14R1.598 CCOC(=O)CSc1cccnc1Cl 62a_100000036424_100000188475 [1,1,0,0,0,0|2,0,0]=4 3543 B14R1.598 CCOC(=O)CSc1cccnc1Cl 62a_100000188475_100000036424 [1,1,0,0,0,0|2,0,0]=4 3544 B14R1.598 CCOC(=O)CSc1cccnc1F 62a_100000188475_100009816115 [1,1,0,0,0,0|2,0,0]=4 3545 B14R1.598 CCOC(=O)CSc1cccnc1F 62a_100009816115_100000188475 [1,1,0,0,0,0|2,0,0]=4 3546 B14R1.598 CCOC(=O)CSc1cccnc1N 62a_100000045569_100000188475 [1,1,0,0,0,0|2,0,0]=4 3547 B14R1.598 CCOC(=O)CSc1cccnc1N 62a_100000188475_100000045569 [1,1,0,0,0,0|2,0,0]=4 3548 B14R1.598 CCOC(=O)CSc1cccnc1O 62a_100000188475_100000760158 [1,1,0,0,0,0|2,0,0]=4 3549 B14R1.598 CCOC(=O)CSc1cccnc1O 62a_100000760158_100000188475 [1,1,0,0,0,0|2,0,0]=4 3550 B14R1.598 CCOC(=O)CSc1ccncc1Br 62a_100000188475_100000726257 [1,1,0,0,0,0|2,0,0]=4 3551 B14R1.598 CCOC(=O)CSc1ccncc1Br 62a_100000726257_100000188475 [1,1,0,0,0,0|2,0,0]=4 3552 B14R1.598 CCOC(=O)CSc1ccncc1C 62a_100000188475_100000765111 [1,1,0,0,0,0|2,0,0]=4 3553 B14R1.598 CCOC(=O)CSc1ccncc1C 62a_100000765111_100000188475 [1,1,0,0,0,0|2,0,0]=4 3554 B14R1.598 CCOC(=O)CSc1ccncc1Cl 62a_100000188475_100000708259 [1,1,0,0,0,0|2,0,0]=4 3555 B14R1.598 CCOC(=O)CSc1ccncc1Cl 62a_100000708259_100000188475 [1,1,0,0,0,0|2,0,0]=4 3556 B14R1.598 CCOC(=O)CSc1ccncc1F 62a_100000047030_100000188475 [1,1,0,0,0,0|2,0,0]=4 3557 B14R1.598 CCOC(=O)CSc1ccncc1F 62a_100000188475_100000047030 [1,1,0,0,0,0|2,0,0]=4 3558 B14R1.598 CCOC(=O)CSc1ccncc1N 62a_100000188475_100000756074 [1,1,0,0,0,0|2,0,0]=4 3559 B14R1.598 CCOC(=O)CSc1ccncc1N 62a_100000756074_100000188475 [1,1,0,0,0,0|2,0,0]=4 3560 B14R1.598 CCOC(=O)CSc1ccncc1O 62a_100000188475_100009817591 [1,1,0,0,0,0|2,0,0]=4 3561 B14R1.598 CCOC(=O)CSc1ccncc1O 62a_100009817591_100000188475 [1,1,0,0,0,0|2,0,0]=4 3562 B14R1.598 CCOC(=O)CSc1cnccc1Br 62a_100000188475_100010138639 [1,1,0,0,0,0|2,0,0]=4 3563 B14R1.598 CCOC(=O)CSc1cnccc1Br 62a_100010138639_100000188475 [1,1,0,0,0,0|2,0,0]=4 3564 B14R1.598 CCOC(=O)CSc1cnccc1C 62a_100000188475_100000761580 [1,1,0,0,0,0|2,0,0]=4 3565 B14R1.598 CCOC(=O)CSc1cnccc1C 62a_100000761580_100000188475 [1,1,0,0,0,0|2,0,0]=4 3566 B14R1.598 CCOC(=O)CSc1cnccc1Cl 62a_100000188475_100009995489 [1,1,0,0,0,0|2,0,0]=4 3567 B14R1.598 CCOC(=O)CSc1cnccc1Cl 62a_100009995489_100000188475 [1,1,0,0,0,0|2,0,0]=4 3568 B14R1.598 CCOC(=O)CSc1cnccc1F 62a_100000188475_100009820683 [1,1,0,0,0,0|2,0,0]=4 3569 B14R1.598 CCOC(=O)CSc1cnccc1F 62a_100009820683_100000188475 [1,1,0,0,0,0|2,0,0]=4 3570 B14R1.598 CCOC(=O)CSc1cnccc1N 62a_100000047001_100000188475 [1,1,0,0,0,0|2,0,0]=4 3571 B14R1.598 CCOC(=O)CSc1cnccc1N 62a_100000188475_100000047001 [1,1,0,0,0,0|2,0,0]=4 3572 B14R1.598 CCOC(=O)CSc1ncccc1Br 62a_100000188475_100000696092 [1,1,0,0,0,0|2,0,0]=4 3573 B14R1.598 CCOC(=O)CSc1ncccc1Br 62a_100000696092_100000188475 [1,1,0,0,0,0|2,0,0]=4 3574 B14R1.598 CCOC(=O)CSc1ncccc1C 62a_100000188475_100000751373 [1,1,0,0,0,0|2,0,0]=4 3575 B14R1.598 CCOC(=O)CSc1ncccc1C 62a_100000751373_100000188475 [1,1,0,0,0,0|2,0,0]=4 3576 B14R1.598 CCOC(=O)CSc1ncccc1Cl 62a_100000188475_100011356963 [1,1,0,0,0,0|2,0,0]=4 3577 B14R1.598 CCOC(=O)CSc1ncccc1Cl 62a_100011356963_100000188475 [1,1,0,0,0,0|2,0,0]=4 3578 B14R1.598 CCOC(=O)CSc1ncccc1F 62a_100000188475_100000685392 [1,1,0,0,0,0|2,0,0]=4 3579 B14R1.598 CCOC(=O)CSc1ncccc1F 62a_100000685392_100000188475 [1,1,0,0,0,0|2,0,0]=4 3580 B14R1.598 CCOC(=O)CSc1ncccc1N 62a_100000188475_100000688686 [1,1,0,0,0,0|2,0,0]=4 3581 B14R1.598 CCOC(=O)CSc1ncccc1N 62a_100000688686_100000188475 [1,1,0,0,0,0|2,0,0]=4 3582 B14R1.598 CCOC(=O)CSc1ncccc1O 62a_100000034122_100000188475 [1,1,0,0,0,0|2,0,0]=4 3583 B14R1.598 CCOC(=O)CSc1ncccc1O 62a_100000188475_100000034122 [1,1,0,0,0,0|2,0,0]=4 3584 B14R1.756 CCC(C)C(=O)C=Cc1ccccc1 1458a_100000210462_100000758301 [1,1,0,0,0,0|1,0,1]=4 3585 B14R1.756 CCC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000758301 [1,1,0,0,0,0|1,0,1]=4 3586 B14R1.756 CCC(C)C(=O)CCc1ccccc1 1458a_100011192722_100000765856 [1,1,0,0,0,0|1,0,1]=4 3587 B14R1.756 CCC(C)C(=O)COc1ccccc1 1458a_100000186222_100000758301 [1,1,0,0,0,0|2,0,0]=4 3588 B14R1.756 CCC(C)C(=O)CSc1ccccc1 1458a_100000211596_100000758301 [1,1,0,0,0,0|2,0,0]=4 3589 B14R1.756 CCC(O)C(=O)CCc1ccccc1 1458a_100011196387_100000765856 [1,1,0,0,0,0|1,0,1]=4 3590 B14R1.756 CCN(C)C(=O)C=Cc1ccccc1 11a_100000225621_100000210462 [1,1,0,0,0,0|1,0,1]=4 3591 B14R1.756 CCN(C)C(=O)C=Cc1ccccc1 1626a_100000225621_100000210462 [1,1,0,0,0,0|1,0,1]=4 3592 B14R1.756 CCN(C)C(=O)CCc1ccccc1 11a_100000225621_100000185753 [1,1,0,0,0,0|1,0,1]=4 3593 B14R1.756 CCN(C)C(=O)CCc1ccccc1 1626a_100000225621_100000185753 [1,1,0,0,0,0|1,0,1]=4 3594 B14R1.756 CCN(C)C(=O)CCc1ccccc1 240690a_100000225621_100000185753 [1,1,0,0,0,0|1,0,1]=4 3595 B14R1.756 CCN(C)C(=O)CCc1ccccc1 527a_100000225621_100000185753 [1,1,0,0,0,0|1,0,1]=4 3596 B14R1.756 CCN(C)C(=O)CNc1ccccc1 34a_100000106764_100000738999 [1,1,0,0,0,0|2,0,0]=4 3597 B14R1.756 CCN(C)C(=O)COc1ccccc1 11a_100000225621_100000186222 [1,1,0,0,0,0|2,0,0]=4 3598 B14R1.756 CCN(C)C(=O)COc1ccccc1 1626a_100000225621_100000186222 [1,1,0,0,0,0|2,0,0]=4 3599 B14R1.756 CCN(C)C(=O)COc1ccccc1 240690a_100000225621_100000186222 [1,1,0,0,0,0|2,0,0]=4 3600 B14R1.756 CCN(C)C(=O)COc1ccccc1 34a_100000210340_100000738999 [1,1,0,0,0,0|2,0,0]=4 3601 B14R1.756 CCN(C)C(=O)COc1ccccc1 527a_100000225621_100000186222 [1,1,0,0,0,0|2,0,0]=4 3602 B14R1.756 CCN(C)C(=O)COc1ccccc1 7a_100000210340_100000738999 [1,1,0,0,0,0|2,0,0]=4 3603 B14R1.756 CCN(C)C(=O)CSc1ccccc1 11a_100000225621_100000211596 [1,1,0,0,0,0|2,0,0]=4 3604 B14R1.756 CCN(C)C(=O)CSc1ccccc1 1626a_100000225621_100000211596 [1,1,0,0,0,0|2,0,0]=4 3605 B14R1.756 CCN(C)C(=O)CSc1ccccc1 240690a_100000225621_100000211596 [1,1,0,0,0,0|2,0,0]=4 3606 B14R1.756 CCN(C)C(=O)CSc1ccccc1 527a_100000225621_100000211596 [1,1,0,0,0,0|2,0,0]=4 3607 B14R1.756 CCN(C)C(=O)CSc1ccccc1 62a_100000719477_100000738999 [1,1,0,0,0,0|2,0,0]=4 3608 B14R1.756 CCN(C)C(=O)CSc1ccccc1 62a_100000738999_100000041952 [1,1,0,0,0,0|2,0,0]=4 3609 B14R1.818 CC(C)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000210624 [1,1,0,0,0,0|1,0,1]=4 3610 B14R1.818 CC(C)CC(=O)CCc1ccccc1 1458a_100000185753_100000210624 [1,1,0,0,0,0|1,0,1]=4 3611 B14R1.818 CC(C)CC(=O)CCc1ccccc1 1458a_100000210554_100000765856 [1,1,0,0,0,0|1,0,1]=4 3612 B14R1.818 CC(C)CC(=O)COc1ccccc1 1458a_100000186222_100000210624 [1,1,0,0,0,0|2,0,0]=4 3613 B14R1.818 CC(C)CC(=O)CSc1ccccc1 1458a_100000211596_100000210624 [1,1,0,0,0,0|2,0,0]=4 3614 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 11a_100138425928_100000210462 [1,1,0,0,0,0|1,0,1]=4 3615 B14R1.818 CC(C)NC(=O)C=Cc1ccccc1 1626a_100138425928_100000210462 [1,1,0,0,0,0|1,0,1]=4 3616 B14R1.818 CC(C)NC(=O)CCc1ccccc1 11a_100138425928_100000185753 [1,1,0,0,0,0|1,0,1]=4 3617 B14R1.818 CC(C)NC(=O)CCc1ccccc1 1626a_100138425928_100000185753 [1,1,0,0,0,0|1,0,1]=4 3618 B14R1.818 CC(C)NC(=O)CCc1ccccc1 240690a_100138425928_100000185753 [1,1,0,0,0,0|1,0,1]=4 3619 B14R1.818 CC(C)NC(=O)CCc1ccccc1 527a_100138425928_100000185753 [1,1,0,0,0,0|1,0,1]=4 3620 B14R1.818 CC(C)NC(=O)CNc1ccccc1 34a_100000106764_100000183996 [1,1,0,0,0,0|2,0,0]=4 3621 B14R1.818 CC(C)NC(=O)COc1ccccc1 11a_100138425928_100000186222 [1,1,0,0,0,0|2,0,0]=4 3622 B14R1.818 CC(C)NC(=O)COc1ccccc1 1626a_100138425928_100000186222 [1,1,0,0,0,0|2,0,0]=4 3623 B14R1.818 CC(C)NC(=O)COc1ccccc1 240690a_100138425928_100000186222 [1,1,0,0,0,0|2,0,0]=4 3624 B14R1.818 CC(C)NC(=O)COc1ccccc1 34a_100000210340_100000183996 [1,1,0,0,0,0|2,0,0]=4 3625 B14R1.818 CC(C)NC(=O)COc1ccccc1 527a_100138425928_100000186222 [1,1,0,0,0,0|2,0,0]=4 3626 B14R1.818 CC(C)NC(=O)COc1ccccc1 7a_100000210340_100000183996 [1,1,0,0,0,0|2,0,0]=4 3627 B14R1.818 CC(C)NC(=O)CSc1ccccc1 11a_100138425928_100000211596 [1,1,0,0,0,0|2,0,0]=4 3628 B14R1.818 CC(C)NC(=O)CSc1ccccc1 1626a_100138425928_100000211596 [1,1,0,0,0,0|2,0,0]=4 3629 B14R1.818 CC(C)NC(=O)CSc1ccccc1 240690a_100138425928_100000211596 [1,1,0,0,0,0|2,0,0]=4 3630 B14R1.818 CC(C)NC(=O)CSc1ccccc1 527a_100138425928_100000211596 [1,1,0,0,0,0|2,0,0]=4 3631 B14R1.818 CC(C)NC(=O)CSc1ccccc1 62a_100000183996_100000041952 [1,1,0,0,0,0|2,0,0]=4 3632 B14R1.818 CC(C)NC(=O)CSc1ccccc1 62a_100000719477_100000183996 [1,1,0,0,0,0|2,0,0]=4 3633 B14R1.818 CC(C)OC(=O)CNc1ccccc1 34a_100000106764_100011215430 [1,1,0,0,0,0|1,0,0]=3 3634 B14R1.818 CC(C)OC(=O)COc1ccccc1 34a_100000210340_100011215430 [1,1,0,0,0,0|1,0,0]=3 3635 B14R1.818 CC(C)OC(=O)COc1ccccc1 7a_100000210340_100011215430 [1,1,0,0,0,0|1,0,0]=3 3636 B14R1.818 CC(C)OC(=O)COc1cccnc1 34a_100000210849_100011215430 [1,1,0,0,0,0|2,0,0]=4 3637 B14R1.818 CC(C)OC(=O)COc1cccnc1 7a_100000210849_100011215430 [1,1,0,0,0,0|2,0,0]=4 3638 B14R1.818 CC(C)OC(=O)COc1ccncc1 34a_100000212176_100011215430 [1,1,0,0,0,0|2,0,0]=4 3639 B14R1.818 CC(C)OC(=O)CSc1ccccc1 62a_100000719477_100011215430 [1,1,0,0,0,0|1,0,0]=3 3640 B14R1.818 CC(C)OC(=O)CSc1ccccc1 62a_100011215430_100000041952 [1,1,0,0,0,0|1,0,0]=3 3641 B14R1.818 CC(C)OC(=O)CSc1ccccn1 62a_100011215430_100011216584 [1,1,0,0,0,0|2,0,0]=4 3642 B14R1.818 CC(C)OC(=O)CSc1ccccn1 62a_100011216584_100011215430 [1,1,0,0,0,0|2,0,0]=4 3643 B14R1.818 CC(C)OC(=O)CSc1cccnc1 62a_100000210063_100011215430 [1,1,0,0,0,0|2,0,0]=4 3644 B14R1.818 CC(C)OC(=O)CSc1cccnc1 62a_100011215430_100000210063 [1,1,0,0,0,0|2,0,0]=4 3645 B14R1.818 CC(C)OC(=O)CSc1ccncc1 62a_100000728582_100011215430 [1,1,0,0,0,0|2,0,0]=4 3646 B14R1.818 CC(C)OC(=O)CSc1ccncc1 62a_100011215430_100000728582 [1,1,0,0,0,0|2,0,0]=4 3647 B14R1.818 CC(O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100011218427 [1,1,0,0,0,0|1,0,1]=4 3648 B14R1.818 CC(O)CC(=O)CCc1ccccc1 1458a_100000185753_100011218427 [1,1,0,0,0,0|1,0,1]=4 3649 B14R1.818 CC(O)CC(=O)COc1ccccc1 1458a_100000186222_100011218427 [1,1,0,0,0,0|2,0,0]=4 3650 B14R1.818 CC(O)CC(=O)CSc1ccccc1 1458a_100000211596_100011218427 [1,1,0,0,0,0|2,0,0]=4 3651 B14R1.818 C[C@@H](O)CC(=O)CCc1ccccc1 1458a_100011933948_100000765856 [1,1,0,0,0,0|1,0,1]=4 3652 B14R1.28 CCCC(=O)CC(=O)c1ccc(s1)Br 1458a_100000211992_100000185163 [0,1,0,0,1,0|2,0,0]=4 3653 B14R1.28 CCCC(=O)CC(=O)c1ccc(s1)C 1458a_100000211992_100011262362 [0,1,0,0,1,0|2,0,0]=4 3654 B14R1.28 CCCC(=O)CC(=O)c1ccc(s1)Cl 1458a_100000211992_100000185135 [0,1,0,0,1,0|2,0,0]=4 3655 B14R1.137 CCC#CC(=O)CC(=O)c1ccc[nH]1 1458a_100011827653_200011262396 [0,1,0,0,1,0|2,0,0]=4 3656 B14R1.137 CCC#CC(=O)CC(=O)c1ccco1 1458a_100011827653_100000211439 [0,1,0,0,1,0|2,0,0]=4 3657 B14R1.137 CCC#CC(=O)CC(=O)c1cccs1 1458a_100011827653_100000211436 [0,1,0,0,1,0|2,0,0]=4 3658 B14R1.137 CCC#CC(=O)CC(=O)c1ccsc1 1458a_100011827653_100011219462 [0,1,0,0,1,0|2,0,0]=4 3659 B14R1.137 CCC=CC(=O)CC(=O)c1ccc[nH]1 1458a_100000212282_200011262396 [0,1,0,0,1,0|2,0,0]=4 3660 B14R1.137 CCC=CC(=O)CC(=O)c1ccco1 1458a_100000212282_100000211439 [0,1,0,0,1,0|2,0,0]=4 3661 B14R1.137 CCC=CC(=O)CC(=O)c1cccs1 1458a_100000212282_100000211436 [0,1,0,0,1,0|2,0,0]=4 3662 B14R1.137 CCC=CC(=O)CC(=O)c1ccsc1 1458a_100000212282_100011219462 [0,1,0,0,1,0|2,0,0]=4 3663 B14R1.137 CCCCC(=O)CC(=O)c1ccc[nH]1 1458a_100000210183_200011262396 [0,1,0,0,1,0|2,0,0]=4 3664 B14R1.137 CCCCC(=O)CC(=O)c1ccco1 1458a_100000210183_100000211439 [0,1,0,0,1,0|2,0,0]=4 3665 B14R1.137 CCCCC(=O)CC(=O)c1cccs1 1458a_100000210183_100000211436 [0,1,0,0,1,0|2,0,0]=4 3666 B14R1.137 CCCCC(=O)CC(=O)c1ccsc1 1458a_100000210183_100011219462 [0,1,0,0,1,0|2,0,0]=4 3667 B14R1.137 CCOCC(=O)CC(=O)c1ccc[nH]1 1458a_100000211967_200011262396 [0,1,0,0,1,0|1,0,0]=3 3668 B14R1.137 CCOCC(=O)CC(=O)c1ccco1 1458a_100000211967_100000211439 [0,1,0,0,1,0|1,0,0]=3 3669 B14R1.137 CCOCC(=O)CC(=O)c1cccs1 1458a_100000211967_100000211436 [0,1,0,0,1,0|1,0,0]=3 3670 B14R1.137 CCOCC(=O)CC(=O)c1ccsc1 1458a_100000211967_100011219462 [0,1,0,0,1,0|1,0,0]=3 3671 B14R1.137 CCOCC(=O)CC(=O)c1nccs1 1458a_100000211967_100000718653 [0,1,0,0,1,0|2,0,0]=4 3672 B14R1.137 CCOCC(=O)CC(=O)n1cccn1 1458a_100000211967_100000077511 [0,1,0,0,1,0|2,0,0]=4 3673 B14R1.137 CCSCC(=O)CC(=O)c1ccc[nH]1 1458a_100000230394_200011262396 [0,1,0,0,1,0|1,1,0]=4 3674 B14R1.137 CCSCC(=O)CC(=O)c1ccco1 1458a_100000230394_100000211439 [0,1,0,0,1,0|1,1,0]=4 3675 B14R1.137 CCSCC(=O)CC(=O)c1cccs1 1458a_100000230394_100000211436 [0,1,0,0,1,0|1,1,0]=4 3676 B14R1.137 CCSCC(=O)CC(=O)c1ccsc1 1458a_100000230394_100011219462 [0,1,0,0,1,0|1,1,0]=4 3677 B14R1.137 COCCC(=O)CC(=O)c1ccc[nH]1 1458a_100000749529_200011262396 [0,1,0,0,1,0|2,0,0]=4 3678 B14R1.137 COCCC(=O)CC(=O)c1ccco1 1458a_100000749529_100000211439 [0,1,0,0,1,0|2,0,0]=4 3679 B14R1.137 COCCC(=O)CC(=O)c1cccs1 1458a_100000749529_100000211436 [0,1,0,0,1,0|2,0,0]=4 3680 B14R1.137 COCCC(=O)CC(=O)c1ccsc1 1458a_100000749529_100011219462 [0,1,0,0,1,0|2,0,0]=4 3681 B14R1.137 CSCCC(=O)CC(=O)c1ccc[nH]1 1458a_100000174002_200011262396 [0,1,0,0,1,0|2,0,0]=4 3682 B14R1.137 CSCCC(=O)CC(=O)c1ccco1 1458a_100000174002_100000211439 [0,1,0,0,1,0|2,0,0]=4 3683 B14R1.137 CSCCC(=O)CC(=O)c1cccs1 1458a_100000174002_100000211436 [0,1,0,0,1,0|2,0,0]=4 3684 B14R1.137 CSCCC(=O)CC(=O)c1ccsc1 1458a_100000174002_100011219462 [0,1,0,0,1,0|2,0,0]=4 3685 B14R1.475 CCCC(=O)C(C)C(=O)c1cccs1 1458a_100000211992_100011262360 [0,1,0,0,1,0|2,0,0]=4 3686 B14R1.720 CCC(C)C(=O)CC(=O)c1ccc[nH]1 1458a_100011192722_200011262396 [0,1,0,0,1,0|2,0,0]=4 3687 B14R1.720 CCC(C)C(=O)CC(=O)c1ccco1 1458a_100011192722_100000211439 [0,1,0,0,1,0|2,0,0]=4 3688 B14R1.720 CCC(C)C(=O)CC(=O)c1cccs1 1458a_100011192722_100000211436 [0,1,0,0,1,0|2,0,0]=4 3689 B14R1.720 CCC(C)C(=O)CC(=O)c1ccsc1 1458a_100011192722_100011219462 [0,1,0,0,1,0|2,0,0]=4 3690 B14R1.720 CCC(O)C(=O)CC(=O)c1ccc[nH]1 1458a_100011196387_200011262396 [0,1,0,0,1,0|2,0,0]=4 3691 B14R1.720 CCC(O)C(=O)CC(=O)c1ccco1 1458a_100011196387_100000211439 [0,1,0,0,1,0|2,0,0]=4 3692 B14R1.720 CCC(O)C(=O)CC(=O)c1cccs1 1458a_100011196387_100000211436 [0,1,0,0,1,0|2,0,0]=4 3693 B14R1.720 CCC(O)C(=O)CC(=O)c1ccsc1 1458a_100011196387_100011219462 [0,1,0,0,1,0|2,0,0]=4 3694 B14R1.807 CC(C)CC(=O)CC(=O)c1ccc[nH]1 1458a_100000210554_200011262396 [0,1,0,0,1,0|2,0,0]=4 3695 B14R1.807 CC(C)CC(=O)CC(=O)c1ccco1 1458a_100000210554_100000211439 [0,1,0,0,1,0|2,0,0]=4 3696 B14R1.807 CC(C)CC(=O)CC(=O)c1cccs1 1458a_100000210554_100000211436 [0,1,0,0,1,0|2,0,0]=4 3697 B14R1.807 CC(C)CC(=O)CC(=O)c1ccsc1 1458a_100000210554_100011219462 [0,1,0,0,1,0|2,0,0]=4 3698 B14R1.807 C[C@@H](O)CC(=O)CC(=O)c1ccc[nH]1 1458a_100011933948_200011262396 [0,1,0,0,1,0|2,0,0]=4 3699 B14R1.807 C[C@@H](O)CC(=O)CC(=O)c1ccco1 1458a_100011933948_100000211439 [0,1,0,0,1,0|2,0,0]=4 3700 B14R1.807 C[C@@H](O)CC(=O)CC(=O)c1cccs1 1458a_100011933948_100000211436 [0,1,0,0,1,0|2,0,0]=4 3701 B14R1.807 C[C@@H](O)CC(=O)CC(=O)c1ccsc1 1458a_100011933948_100011219462 [0,1,0,0,1,0|2,0,0]=4 3702 B14R1.3242 CCCC(=O)CC(=O)c1cccn1C 1458a_100000211992_200011262399 [0,1,0,0,1,0|2,0,0]=4 3703 B14R1.3242 CCCC(=O)CC(=O)c1sccc1Br 1458a_100000211992_100000740827 [0,1,0,0,1,0|2,0,0]=4 3704 B14R1.35 CCOC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_100011512959 [0,1,0,0,1,0|0,0,0]=2 3705 B14R1.35 CCOC(=O)C(=O)c1ccc(nc1)O 271570a_203496583355_100000047086 [0,1,0,0,1,0|1,0,0]=3 3706 B14R1.35 CCOC(=O)C(C)c1ccc(cc1)O 271570a_203496583355_100010077027 [0,1,0,0,1,0|1,0,1]=4 3707 B14R1.35 CCOC(C)C(=O)c1ccc(cc1)Br 34a_100121572206_100000184162 [0,1,0,0,1,0|1,0,1]=4 3708 B14R1.35 CCOC(C)C(=O)c1ccc(cc1)C 34a_100121572206_100000726416 [0,1,0,0,1,0|1,0,1]=4 3709 B14R1.35 CCOC(C)C(=O)c1ccc(cc1)F 34a_100121572206_100000229918 [0,1,0,0,1,0|1,0,1]=4 3710 B14R1.35 CCOC(C)C(=O)c1ccc(cc1)O 34a_100121572206_200010205864 [0,1,0,0,1,0|1,0,1]=4 3711 B14R1.36 CCOC(C)C(=O)c1cccc(c1)Br 34a_100121572206_100012349134 [0,1,0,0,1,0|1,0,1]=4 3712 B14R1.36 CCOC(C)C(=O)c1cccc(c1)Cl 34a_100121572206_100000184413 [0,1,0,0,1,0|1,0,1]=4 3713 B14R1.36 CCOC(C)C(=O)c1cccc(c1)F 34a_100121572206_100012356231 [0,1,0,0,1,0|1,0,1]=4 3714 B14R1.417 C=C(C(=O)CC(C)C)c1ccccc1 1458a_100000065200_100000210624 [0,1,0,0,1,0|2,0,0]=4 3715 B14R1.417 C=C(C(=O)CC(C)O)c1ccccc1 1458a_100000065200_100011218427 [0,1,0,0,1,0|2,0,0]=4 3716 B14R1.417 C=C(C(=O)NC(C)C)c1ccccc1 1626a_100138425928_100000065200 [0,1,0,0,1,0|2,0,0]=4 3717 B14R1.604 CCOC(=O)C(NC)c1ccccc1 2230a_106832991635_100000709949 [0,1,0,0,1,0|1,0,1]=4 3718 B14R1.604 CCOC(=O)C(NC)c1ccccc1 34a_100102657272_100000184263 [0,1,0,0,1,0|1,0,1]=4 3719 B14R1.604 CCOC(=O)C(NC)c1ccccc1 7a_106832991635_100000709949 [0,1,0,0,1,0|1,0,1]=4 3720 B14R1.604 CCOC(=O)C(OC)c1ccccc1 34a_100138415774_100000184263 [0,1,0,0,1,0|0,0,2]=4 3721 B14R1.604 CCOC(=O)C(OC)c1ccccc1 7a_100000174076_200000210301 [0,1,0,0,1,0|0,0,2]=4 3722 B14R1.604 CCOC(=O)C(O[13CH3])c1ccccc1 7a_100000174076_200025704644 [0,1,0,0,1,0|0,0,2]=4 3723 B14R1.604 CCOC(=O)C(SC)c1ccccc1 62a_100000709949_200000210301 [0,1,0,0,1,0|0,1,1]=4 3724 B14R1.604 CCOC(=O)C(SC)c1ccccc1 62a_200000210301_100000709949 [0,1,0,0,1,0|0,1,1]=4 3725 B14R1.604 CCOC(=O)C(S[13CH3])c1ccccc1 62a_100000709949_200025704644 [0,1,0,0,1,0|0,1,1]=4 3726 B14R1.604 CCOC(=O)C(S[13CH3])c1ccccc1 62a_200025704644_100000709949 [0,1,0,0,1,0|0,1,1]=4 3727 B14R1.6708 CCOC(C)(C)C(=O)c1ccccc1 34a_100011217161_100000210202 [0,1,0,0,1,0|1,0,1]=4 3728 B14R1.6708 CCOC(C)(C)C(=O)c1ccccc1 7a_100011217161_100000210202 [0,1,0,0,1,0|1,0,1]=4 3729 B16R1.58 CC#CC(=O)CCC(=O)c1ccc(cc1)C 1458a_100000763181_100000701375 [0,1,0,0,0,1|1,0,1]=4 3730 B16R1.58 CC#CC(=O)CCC(=O)c1ccc(cc1)F 1458a_100000763181_100000211231 [0,1,0,0,0,1|1,0,1]=4 3731 B16R1.58 CC=CC(=O)CCC(=O)c1ccc(cc1)C 1458a_100000210699_100000701375 [0,1,0,0,0,1|1,0,1]=4 3732 B16R1.58 CC=CC(=O)CCC(=O)c1ccc(cc1)F 1458a_100000210699_100000211231 [0,1,0,0,0,1|1,0,1]=4 3733 B16R1.58 CCCC(=O)CCC(=O)c1ccc(cc1)C 1458a_100000211992_100000701375 [0,1,0,0,0,1|1,0,0]=3 3734 B16R1.58 CCCC(=O)CCC(=O)c1ccc(cc1)F 1458a_100000211992_100000211231 [0,1,0,0,0,1|1,0,0]=3 3735 B16R1.58 CCCC(=O)CNC(=O)c1ccc(cc1)C 1458a_100000183637_100000210303 [0,1,0,0,0,1|1,0,0]=3 3736 B16R1.58 CCCC(=O)CNC(=O)c1ccc(cc1)Cl 1458a_100000182666_100000210303 [0,1,0,0,0,1|1,0,0]=3 3737 B16R1.58 CCCC(=O)CNC(=O)c1ccc(cc1)F 1458a_100000183488_100000210303 [0,1,0,0,0,1|1,0,0]=3 3738 B16R1.58 CCCC(=O)CNC(=O)c1ccc(cc1)O 1458a_100000205570_100000210303 [0,1,0,0,0,1|1,0,0]=3 3739 B16R1.58 CCCC(=O)NNC(=O)c1ccc(cc1)Br 22a_100000183614_100000211992 [0,1,0,0,0,1|2,0,0]=4 3740 B16R1.58 CCCC(=O)NNC(=O)c1ccc(cc1)Br 22a_100000189770_100000185839 [0,1,0,0,0,1|2,0,0]=4 3741 B16R1.58 CCCC(=O)NNC(=O)c1ccc(cc1)C 22a_100000189770_100000188618 [0,1,0,0,0,1|2,0,0]=4 3742 B16R1.58 CCCC(=O)NNC(=O)c1ccc(cc1)C 22a_100000189790_100000211992 [0,1,0,0,0,1|2,0,0]=4 3743 B16R1.58 CCCC(=O)NNC(=O)c1ccc(cc1)Cl 22a_100000184390_100000211992 [0,1,0,0,0,1|2,0,0]=4 3744 B16R1.58 CCCC(=O)NNC(=O)c1ccc(cc1)Cl 22a_100000189770_100000210187 [0,1,0,0,0,1|2,0,0]=4 3745 B16R1.58 CCCC(=O)NNC(=O)c1ccc(cc1)F 22a_100000182866_100000211992 [0,1,0,0,0,1|2,0,0]=4 3746 B16R1.58 CCCC(=O)NNC(=O)c1ccc(cc1)F 22a_100000189770_100000187176 [0,1,0,0,0,1|2,0,0]=4 3747 B16R1.58 CCCC(=O)NNC(=O)c1ccc(cc1)I 22a_100000189770_100000187904 [0,1,0,0,0,1|2,0,0]=4 3748 B16R1.58 CCCC(=O)NNC(=O)c1ccc(cc1)I 22a_100000189773_100000211992 [0,1,0,0,0,1|2,0,0]=4 3749 B16R1.58 CCCC(=O)NNC(=O)c1ccc(cc1)O 22a_100000189770_100000212099 [0,1,0,0,0,1|2,0,0]=4 3750 B16R1.58 CCCC(=O)OCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000034017 [0,1,0,0,0,1|1,0,0]=3 3751 B16R1.58 CCCC(=O)OCC(=O)c1ccc(cc1)C 1458a_100000188618_100000034017 [0,1,0,0,0,1|1,0,0]=3 3752 B16R1.58 CCCC(=O)OCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000034017 [0,1,0,0,0,1|1,0,0]=3 3753 B16R1.58 CCCC(=O)OCC(=O)c1ccc(cc1)F 1458a_100000187176_100000034017 [0,1,0,0,0,1|1,0,0]=3 3754 B16R1.58 CCCC(=O)OCC(=O)c1ccc(cc1)I 1458a_100000187904_100000034017 [0,1,0,0,0,1|1,0,0]=3 3755 B16R1.58 CCCC(=O)OCC(=O)c1ccc(cc1)O 1458a_100000212099_100000034017 [0,1,0,0,0,1|1,0,0]=3 3756 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)Br 11a_100016988866_100000185839 [0,1,0,0,0,1|1,0,0]=3 3757 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)Br 1626a_100016988866_100000185839 [0,1,0,0,0,1|1,0,0]=3 3758 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)Br 240690a_100016988866_100000185839 [0,1,0,0,0,1|1,0,0]=3 3759 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)Br 527a_100016988866_100000185839 [0,1,0,0,0,1|1,0,0]=3 3760 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)C 11a_100015525214_100000183637 [0,1,0,0,0,1|1,0,0]=3 3761 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)C 11a_100016988866_100000188618 [0,1,0,0,0,1|1,0,0]=3 3762 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)C 1626a_100016988866_100000188618 [0,1,0,0,0,1|1,0,0]=3 3763 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)C 240690a_100015525214_100000183637 [0,1,0,0,0,1|1,0,0]=3 3764 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)C 240690a_100016988866_100000188618 [0,1,0,0,0,1|1,0,0]=3 3765 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)C 527a_100015525214_100000183637 [0,1,0,0,0,1|1,0,0]=3 3766 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)C 527a_100016988866_100000188618 [0,1,0,0,0,1|1,0,0]=3 3767 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)Cl 11a_100015525214_100000182666 [0,1,0,0,0,1|1,0,0]=3 3768 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)Cl 11a_100016988866_100000210187 [0,1,0,0,0,1|1,0,0]=3 3769 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)Cl 1626a_100016988866_100000210187 [0,1,0,0,0,1|1,0,0]=3 3770 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)Cl 240690a_100015525214_100000182666 [0,1,0,0,0,1|1,0,0]=3 3771 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)Cl 240690a_100016988866_100000210187 [0,1,0,0,0,1|1,0,0]=3 3772 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)Cl 527a_100015525214_100000182666 [0,1,0,0,0,1|1,0,0]=3 3773 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)Cl 527a_100016988866_100000210187 [0,1,0,0,0,1|1,0,0]=3 3774 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)F 11a_100015525214_100000183488 [0,1,0,0,0,1|1,0,0]=3 3775 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)F 11a_100016988866_100000187176 [0,1,0,0,0,1|1,0,0]=3 3776 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)F 1626a_100016988866_100000187176 [0,1,0,0,0,1|1,0,0]=3 3777 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)F 240690a_100015525214_100000183488 [0,1,0,0,0,1|1,0,0]=3 3778 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)F 240690a_100016988866_100000187176 [0,1,0,0,0,1|1,0,0]=3 3779 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)F 527a_100015525214_100000183488 [0,1,0,0,0,1|1,0,0]=3 3780 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)F 527a_100016988866_100000187176 [0,1,0,0,0,1|1,0,0]=3 3781 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)I 11a_100016988866_100000187904 [0,1,0,0,0,1|1,0,0]=3 3782 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)I 1626a_100016988866_100000187904 [0,1,0,0,0,1|1,0,0]=3 3783 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)I 240690a_100016988866_100000187904 [0,1,0,0,0,1|1,0,0]=3 3784 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)I 527a_100016988866_100000187904 [0,1,0,0,0,1|1,0,0]=3 3785 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)O 240690a_100015525214_100000205570 [0,1,0,0,0,1|1,0,0]=3 3786 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)O 240690a_100016988866_100000212099 [0,1,0,0,0,1|1,0,0]=3 3787 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)O 527a_100015525214_100000205570 [0,1,0,0,0,1|1,0,0]=3 3788 B16R1.58 CCNC(=O)CNC(=O)c1ccc(cc1)O 527a_100016988866_100000212099 [0,1,0,0,0,1|1,0,0]=3 3789 B16R1.58 CCNC(=O)NNC(=O)c1ccc(cc1)Br 273464a_100015525214_100000183614 [0,1,0,0,0,1|2,0,0]=4 3790 B16R1.58 CCNC(=O)NNC(=O)c1ccc(cc1)Br 512a_100000183614_100015525214 [0,1,0,0,0,1|2,0,0]=4 3791 B16R1.58 CCNC(=O)NNC(=O)c1ccc(cc1)Br 512a_100015525214_100000183614 [0,1,0,0,0,1|2,0,0]=4 3792 B16R1.58 CCNC(=O)NNC(=O)c1ccc(cc1)C 273464a_100015525214_100000189790 [0,1,0,0,0,1|2,0,0]=4 3793 B16R1.58 CCNC(=O)NNC(=O)c1ccc(cc1)C 512a_100000189790_100015525214 [0,1,0,0,0,1|2,0,0]=4 3794 B16R1.58 CCNC(=O)NNC(=O)c1ccc(cc1)C 512a_100015525214_100000189790 [0,1,0,0,0,1|2,0,0]=4 3795 B16R1.58 CCNC(=O)NNC(=O)c1ccc(cc1)Cl 273464a_100015525214_100000184390 [0,1,0,0,0,1|2,0,0]=4 3796 B16R1.58 CCNC(=O)NNC(=O)c1ccc(cc1)F 273464a_100015525214_100000182866 [0,1,0,0,0,1|2,0,0]=4 3797 B16R1.58 CCNC(=O)NNC(=O)c1ccc(cc1)F 512a_100000182866_100015525214 [0,1,0,0,0,1|2,0,0]=4 3798 B16R1.58 CCNC(=O)NNC(=O)c1ccc(cc1)F 512a_100015525214_100000182866 [0,1,0,0,0,1|2,0,0]=4 3799 B16R1.58 CCNC(=O)NNC(=O)c1ccc(cc1)I 273464a_100015525214_100000189773 [0,1,0,0,0,1|2,0,0]=4 3800 B16R1.58 CCNC(=O)NNC(=O)c1ccc(cc1)I 512a_100000189773_100015525214 [0,1,0,0,0,1|2,0,0]=4 3801 B16R1.58 CCOC(=O)CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000171430 [0,1,0,0,0,1|0,0,0]=2 3802 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)Br 2230a_100000219623_100011206558 [0,1,0,0,0,1|2,0,0]=4 3803 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)Br 269982a_100000219623_100011206558 [0,1,0,0,0,1|2,0,0]=4 3804 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)Br 34a_100000219623_100000765890 [0,1,0,0,0,1|2,0,0]=4 3805 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)C 2230a_100000219977_100011206558 [0,1,0,0,0,1|2,0,0]=4 3806 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)C 269982a_100000219977_100011206558 [0,1,0,0,0,1|2,0,0]=4 3807 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)C 34a_100000219977_100000765890 [0,1,0,0,0,1|2,0,0]=4 3808 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100011206558 [0,1,0,0,0,1|2,0,0]=4 3809 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100011206558 [0,1,0,0,0,1|2,0,0]=4 3810 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000765890 [0,1,0,0,0,1|2,0,0]=4 3811 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)F 2230a_100000219829_100011206558 [0,1,0,0,0,1|2,0,0]=4 3812 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)F 269982a_100000219829_100011206558 [0,1,0,0,0,1|2,0,0]=4 3813 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)F 269982a_200011277774_200000210301 [0,1,0,0,0,1|2,0,0]=4 3814 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)F 34a_100000219829_100000765890 [0,1,0,0,0,1|2,0,0]=4 3815 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)F 34a_200011277774_200000210301 [0,1,0,0,0,1|2,0,0]=4 3816 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)I 2230a_100000743151_100011206558 [0,1,0,0,0,1|2,0,0]=4 3817 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)I 269982a_100000743151_100011206558 [0,1,0,0,0,1|2,0,0]=4 3818 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)I 34a_100000743151_100000765890 [0,1,0,0,0,1|2,0,0]=4 3819 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)O 269982a_100000182112_100011206558 [0,1,0,0,0,1|2,0,0]=4 3820 B16R1.58 CCOC(=O)CCN(C)c1ccc(cc1)O 34a_100000182112_100000765890 [0,1,0,0,0,1|2,0,0]=4 3821 B16R1.58 CCOC(=O)CCN([13CH3])c1ccc(cc1)F 269982a_200011277774_200025704644 [0,1,0,0,0,1|2,0,0]=4 3822 B16R1.58 CCOC(=O)CCN([13CH3])c1ccc(cc1)F 34a_200011277774_200025704644 [0,1,0,0,0,1|2,0,0]=4 3823 B16R1.58 CCOC(=O)CNC(=O)c1ccc(cc1)Br 188690a_100000741813_100000185839 [0,1,0,0,0,1|0,0,0]=2 3824 B16R1.58 CCOC(=O)CNC(=O)c1ccc(cc1)C 188690a_100000741813_100000188618 [0,1,0,0,0,1|0,0,0]=2 3825 B16R1.58 CCOC(=O)CNC(=O)c1ccc(cc1)Cl 188690a_100000741813_100000210187 [0,1,0,0,0,1|0,0,0]=2 3826 B16R1.58 CCOC(=O)CNC(=O)c1ccc(cc1)F 188690a_100000741813_100000187176 [0,1,0,0,0,1|0,0,0]=2 3827 B16R1.58 CCOC(=O)CNC(=O)c1ccc(cc1)I 188690a_100000741813_100000187904 [0,1,0,0,0,1|0,0,0]=2 3828 B16R1.58 CCOC(=O)CNC(=O)c1ccc(cc1)O 188690a_100000741813_100000212099 [0,1,0,0,0,1|0,0,0]=2 3829 B16R1.58 CCOC(=O)CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000188475 [0,1,0,0,0,1|1,0,1]=4 3830 B16R1.58 CCOC(=O)CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000188475 [0,1,0,0,0,1|1,0,1]=4 3831 B16R1.58 CCOC(=O)CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000188475 [0,1,0,0,0,1|1,0,1]=4 3832 B16R1.58 CCOC(=O)CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000188475 [0,1,0,0,0,1|1,0,1]=4 3833 B16R1.58 CCOC(=O)CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000188475 [0,1,0,0,0,1|1,0,1]=4 3834 B16R1.58 CCOC(=O)CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000188475 [0,1,0,0,0,1|1,0,1]=4 3835 B16R1.58 CCOC(=O)CN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000188475 [0,1,0,0,0,1|1,0,1]=4 3836 B16R1.58 CCOC(=O)CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000188475 [0,1,0,0,0,1|1,0,1]=4 3837 B16R1.58 CCOC(=O)CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000188475 [0,1,0,0,0,1|1,0,1]=4 3838 B16R1.58 CCOC(=O)COC(C)c1ccc(cc1)Br 34a_100000745893_100000188475 [0,1,0,0,0,1|1,0,1]=4 3839 B16R1.58 CCOC(=O)COC(C)c1ccc(cc1)Br 7a_100000745893_100000188475 [0,1,0,0,0,1|1,0,1]=4 3840 B16R1.58 CCOC(=O)COC(C)c1ccc(cc1)F 34a_100000181323_100000188475 [0,1,0,0,0,1|1,0,1]=4 3841 B16R1.58 CCOC(=O)COC(C)c1ccc(cc1)F 7a_100000181323_100000188475 [0,1,0,0,0,1|1,0,1]=4 3842 B16R1.58 CCOC(=O)COC(C)c1ccc(cc1)N 34a_100011216399_100000188475 [0,1,0,0,0,1|1,0,1]=4 3843 B16R1.58 CCOC(=O)CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000188475 [0,1,0,0,0,1|1,0,1]=4 3844 B16R1.58 CCOC(=O)CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000188475 [0,1,0,0,0,1|1,0,1]=4 3845 B16R1.58 CCOC(=O)CO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000188475 [0,1,0,0,0,1|1,0,1]=4 3846 B16R1.58 CCOC(=O)CO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000188475 [0,1,0,0,0,1|1,0,1]=4 3847 B16R1.58 CCOC(=O)CSC(C)c1ccc(cc1)Br 62a_100000188475_100000755118 [0,1,0,0,0,1|1,0,1]=4 3848 B16R1.58 CCOC(=O)CSC(C)c1ccc(cc1)Br 62a_100000755118_100000188475 [0,1,0,0,0,1|1,0,1]=4 3849 B16R1.58 CCOC(=O)CSC(C)c1ccc(cc1)C 62a_100000188475_100011261388 [0,1,0,0,0,1|1,0,1]=4 3850 B16R1.58 CCOC(=O)CSC(C)c1ccc(cc1)C 62a_100011261388_100000188475 [0,1,0,0,0,1|1,0,1]=4 3851 B16R1.58 CCOC(=O)CSC(C)c1ccc(cc1)Cl 62a_100000188475_100000684792 [0,1,0,0,0,1|1,0,1]=4 3852 B16R1.58 CCOC(=O)CSC(C)c1ccc(cc1)Cl 62a_100000684792_100000188475 [0,1,0,0,0,1|1,0,1]=4 3853 B16R1.58 CCOC(=O)CSC(C)c1ccc(cc1)F 62a_100000188475_100000743420 [0,1,0,0,0,1|1,0,1]=4 3854 B16R1.58 CCOC(=O)CSC(C)c1ccc(cc1)F 62a_100000743420_100000188475 [0,1,0,0,0,1|1,0,1]=4 3855 B16R1.58 CNNC(=O)CNC(=O)c1ccc(cc1)C 22a_100016993582_100000183637 [0,1,0,0,0,1|2,0,0]=4 3856 B16R1.58 CNNC(=O)CNC(=O)c1ccc(cc1)Cl 22a_100016993582_100000182666 [0,1,0,0,0,1|2,0,0]=4 3857 B16R1.58 CNNC(=O)CNC(=O)c1ccc(cc1)F 22a_100016993582_100000183488 [0,1,0,0,0,1|2,0,0]=4 3858 B16R1.58 CNNC(=O)CNC(=O)c1ccc(cc1)O 22a_100016993582_100000205570 [0,1,0,0,0,1|2,0,0]=4 3859 B16R1.58 COCC(=O)CCC(=O)c1ccc(cc1)C 1458a_100000210968_100000701375 [0,1,0,0,0,1|2,0,0]=4 3860 B16R1.58 COCC(=O)CCC(=O)c1ccc(cc1)F 1458a_100000210968_100000211231 [0,1,0,0,0,1|2,0,0]=4 3861 B16R1.58 CSCC(=O)CCC(=O)c1ccc(cc1)C 1458a_100000184570_100000701375 [0,1,0,0,0,1|2,0,0]=4 3862 B16R1.58 CSCC(=O)CCC(=O)c1ccc(cc1)F 1458a_100000184570_100000211231 [0,1,0,0,0,1|2,0,0]=4 3863 B16R1.58 Cc1ccc(cc1)C(=O)CCC(=O)CCO 1458a_100011216618_100000701375 [0,1,0,0,0,1|2,0,0]=4 3864 B16R1.58 Cc1ccc(cc1)C(=O)NCC(=O)CCF 1458a_100000183637_100011217306 [0,1,0,0,0,1|2,0,0]=4 3865 B16R1.58 Cc1ccc(cc1)C(=O)NCC(=O)CCO 1458a_100000183637_100000211926 [0,1,0,0,0,1|2,0,0]=4 3866 B16R1.58 O=C(CCF)CNC(=O)c1ccc(cc1)Cl 1458a_100000182666_100011217306 [0,1,0,0,0,1|2,0,0]=4 3867 B16R1.58 O=C(CCF)CNC(=O)c1ccc(cc1)F 1458a_100000183488_100011217306 [0,1,0,0,0,1|2,0,0]=4 3868 B16R1.58 O=C(CCF)CNC(=O)c1ccc(cc1)O 1458a_100000205570_100011217306 [0,1,0,0,0,1|2,0,0]=4 3869 B16R1.58 O=C(CCO)CCC(=O)c1ccc(cc1)F 1458a_100011216618_100000211231 [0,1,0,0,0,1|2,0,0]=4 3870 B16R1.58 O=C(CCO)CNC(=O)c1ccc(cc1)Cl 1458a_100000182666_100000211926 [0,1,0,0,0,1|2,0,0]=4 3871 B16R1.58 O=C(CCO)CNC(=O)c1ccc(cc1)F 1458a_100000183488_100000211926 [0,1,0,0,0,1|2,0,0]=4 3872 B16R1.58 O=C(CCO)CNC(=O)c1ccc(cc1)O 1458a_100000205570_100000211926 [0,1,0,0,0,1|2,0,0]=4 3873 B16R1.58 [2H]C(OCC(=O)OCC)c1ccc(cc1)F 34a_217856618577_100000188475 [0,1,0,0,0,1|1,0,1]=4 3874 B16R1.58 [2H]C(OCC(=O)OCC)c1ccc(cc1)F 7a_217856618577_100000188475 [0,1,0,0,0,1|1,0,1]=4 3875 B16R1.59 CCCC(=O)CNC(=O)c1cccc(c1)Br 1458a_100000179737_100000210303 [0,1,0,0,0,1|1,0,0]=3 3876 B16R1.59 CCCC(=O)CNC(=O)c1cccc(c1)C 1458a_100000182573_100000210303 [0,1,0,0,0,1|1,0,0]=3 3877 B16R1.59 CCCC(=O)CNC(=O)c1cccc(c1)Cl 1458a_100000182572_100000210303 [0,1,0,0,0,1|1,0,0]=3 3878 B16R1.59 CCCC(=O)CNC(=O)c1cccc(c1)F 1458a_100000183068_100000210303 [0,1,0,0,0,1|1,0,0]=3 3879 B16R1.59 CCCC(=O)NNC(=O)c1cccc(c1)Br 22a_100000189770_100000210664 [0,1,0,0,0,1|2,0,0]=4 3880 B16R1.59 CCCC(=O)NNC(=O)c1cccc(c1)Br 22a_100000189783_100000211992 [0,1,0,0,0,1|2,0,0]=4 3881 B16R1.59 CCCC(=O)NNC(=O)c1cccc(c1)C 22a_100000189770_100000189346 [0,1,0,0,0,1|2,0,0]=4 3882 B16R1.59 CCCC(=O)NNC(=O)c1cccc(c1)C 22a_100000189845_100000211992 [0,1,0,0,0,1|2,0,0]=4 3883 B16R1.59 CCCC(=O)NNC(=O)c1cccc(c1)Cl 22a_100000183659_100000211992 [0,1,0,0,0,1|2,0,0]=4 3884 B16R1.59 CCCC(=O)NNC(=O)c1cccc(c1)Cl 22a_100000189770_100000210390 [0,1,0,0,0,1|2,0,0]=4 3885 B16R1.59 CCCC(=O)NNC(=O)c1cccc(c1)F 22a_100000189770_100000210950 [0,1,0,0,0,1|2,0,0]=4 3886 B16R1.59 CCCC(=O)NNC(=O)c1cccc(c1)F 22a_100000189798_100000211992 [0,1,0,0,0,1|2,0,0]=4 3887 B16R1.59 CCCC(=O)NNC(=O)c1cccc(c1)I 22a_100000186306_100000211992 [0,1,0,0,0,1|2,0,0]=4 3888 B16R1.59 CCCC(=O)NNC(=O)c1cccc(c1)I 22a_100000189770_100000184098 [0,1,0,0,0,1|2,0,0]=4 3889 B16R1.59 CCCC(=O)NNC(=O)c1cccc(c1)O 22a_100000189770_100000183914 [0,1,0,0,0,1|2,0,0]=4 3890 B16R1.59 CCCC(=O)OCC(=O)c1cccc(c1)Br 1458a_100000210664_100000034017 [0,1,0,0,0,1|1,0,0]=3 3891 B16R1.59 CCCC(=O)OCC(=O)c1cccc(c1)C 1458a_100000189346_100000034017 [0,1,0,0,0,1|1,0,0]=3 3892 B16R1.59 CCCC(=O)OCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000034017 [0,1,0,0,0,1|1,0,0]=3 3893 B16R1.59 CCCC(=O)OCC(=O)c1cccc(c1)F 1458a_100000210950_100000034017 [0,1,0,0,0,1|1,0,0]=3 3894 B16R1.59 CCCC(=O)OCC(=O)c1cccc(c1)I 1458a_100000184098_100000034017 [0,1,0,0,0,1|1,0,0]=3 3895 B16R1.59 CCCC(=O)OCC(=O)c1cccc(c1)O 1458a_100000183914_100000034017 [0,1,0,0,0,1|1,0,0]=3 3896 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)Br 11a_100015525214_100000179737 [0,1,0,0,0,1|1,0,0]=3 3897 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)Br 11a_100016988866_100000210664 [0,1,0,0,0,1|1,0,0]=3 3898 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)Br 1626a_100016988866_100000210664 [0,1,0,0,0,1|1,0,0]=3 3899 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)Br 240690a_100015525214_100000179737 [0,1,0,0,0,1|1,0,0]=3 3900 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)Br 240690a_100016988866_100000210664 [0,1,0,0,0,1|1,0,0]=3 3901 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)Br 527a_100015525214_100000179737 [0,1,0,0,0,1|1,0,0]=3 3902 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)Br 527a_100016988866_100000210664 [0,1,0,0,0,1|1,0,0]=3 3903 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)C 11a_100015525214_100000182573 [0,1,0,0,0,1|1,0,0]=3 3904 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)C 11a_100016988866_100000189346 [0,1,0,0,0,1|1,0,0]=3 3905 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)C 1626a_100016988866_100000189346 [0,1,0,0,0,1|1,0,0]=3 3906 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)C 240690a_100015525214_100000182573 [0,1,0,0,0,1|1,0,0]=3 3907 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)C 240690a_100016988866_100000189346 [0,1,0,0,0,1|1,0,0]=3 3908 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)C 527a_100015525214_100000182573 [0,1,0,0,0,1|1,0,0]=3 3909 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)C 527a_100016988866_100000189346 [0,1,0,0,0,1|1,0,0]=3 3910 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)Cl 11a_100016988866_100000210390 [0,1,0,0,0,1|1,0,0]=3 3911 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)Cl 1626a_100016988866_100000210390 [0,1,0,0,0,1|1,0,0]=3 3912 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)Cl 240690a_100015525214_100000182572 [0,1,0,0,0,1|1,0,0]=3 3913 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)Cl 240690a_100016988866_100000210390 [0,1,0,0,0,1|1,0,0]=3 3914 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)Cl 527a_100015525214_100000182572 [0,1,0,0,0,1|1,0,0]=3 3915 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)Cl 527a_100016988866_100000210390 [0,1,0,0,0,1|1,0,0]=3 3916 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)F 11a_100015525214_100000183068 [0,1,0,0,0,1|1,0,0]=3 3917 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)F 11a_100016988866_100000210950 [0,1,0,0,0,1|1,0,0]=3 3918 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)F 1626a_100016988866_100000210950 [0,1,0,0,0,1|1,0,0]=3 3919 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)F 240690a_100015525214_100000183068 [0,1,0,0,0,1|1,0,0]=3 3920 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)F 240690a_100016988866_100000210950 [0,1,0,0,0,1|1,0,0]=3 3921 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)F 527a_100015525214_100000183068 [0,1,0,0,0,1|1,0,0]=3 3922 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)F 527a_100016988866_100000210950 [0,1,0,0,0,1|1,0,0]=3 3923 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)I 11a_100016988866_100000184098 [0,1,0,0,0,1|1,0,0]=3 3924 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)I 1626a_100016988866_100000184098 [0,1,0,0,0,1|1,0,0]=3 3925 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)I 240690a_100016988866_100000184098 [0,1,0,0,0,1|1,0,0]=3 3926 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)I 527a_100016988866_100000184098 [0,1,0,0,0,1|1,0,0]=3 3927 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)O 240690a_100016988866_100000183914 [0,1,0,0,0,1|1,0,0]=3 3928 B16R1.59 CCNC(=O)CNC(=O)c1cccc(c1)O 527a_100016988866_100000183914 [0,1,0,0,0,1|1,0,0]=3 3929 B16R1.59 CCNC(=O)NNC(=O)c1cccc(c1)Br 273464a_100015525214_100000189783 [0,1,0,0,0,1|2,0,0]=4 3930 B16R1.59 CCNC(=O)NNC(=O)c1cccc(c1)Br 512a_100000189783_100015525214 [0,1,0,0,0,1|2,0,0]=4 3931 B16R1.59 CCNC(=O)NNC(=O)c1cccc(c1)Br 512a_100015525214_100000189783 [0,1,0,0,0,1|2,0,0]=4 3932 B16R1.59 CCNC(=O)NNC(=O)c1cccc(c1)C 273464a_100015525214_100000189845 [0,1,0,0,0,1|2,0,0]=4 3933 B16R1.59 CCNC(=O)NNC(=O)c1cccc(c1)C 512a_100000189845_100015525214 [0,1,0,0,0,1|2,0,0]=4 3934 B16R1.59 CCNC(=O)NNC(=O)c1cccc(c1)C 512a_100015525214_100000189845 [0,1,0,0,0,1|2,0,0]=4 3935 B16R1.59 CCNC(=O)NNC(=O)c1cccc(c1)Cl 273464a_100015525214_100000183659 [0,1,0,0,0,1|2,0,0]=4 3936 B16R1.59 CCNC(=O)NNC(=O)c1cccc(c1)F 273464a_100015525214_100000189798 [0,1,0,0,0,1|2,0,0]=4 3937 B16R1.59 CCNC(=O)NNC(=O)c1cccc(c1)F 512a_100000189798_100015525214 [0,1,0,0,0,1|2,0,0]=4 3938 B16R1.59 CCNC(=O)NNC(=O)c1cccc(c1)I 273464a_100015525214_100000186306 [0,1,0,0,0,1|2,0,0]=4 3939 B16R1.59 CCNC(=O)NNC(=O)c1cccc(c1)I 512a_100000186306_100015525214 [0,1,0,0,0,1|2,0,0]=4 3940 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)Br 2230a_100000219648_100011206558 [0,1,0,0,0,1|2,0,0]=4 3941 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)Br 269982a_100000219648_100011206558 [0,1,0,0,0,1|2,0,0]=4 3942 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)Br 34a_100000219648_100000765890 [0,1,0,0,0,1|2,0,0]=4 3943 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)C 2230a_100000219674_100011206558 [0,1,0,0,0,1|2,0,0]=4 3944 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)C 269982a_100000219674_100011206558 [0,1,0,0,0,1|2,0,0]=4 3945 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)C 34a_100000219674_100000765890 [0,1,0,0,0,1|2,0,0]=4 3946 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)Cl 2230a_100000220044_100011206558 [0,1,0,0,0,1|2,0,0]=4 3947 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)Cl 269982a_100000220044_100011206558 [0,1,0,0,0,1|2,0,0]=4 3948 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)Cl 34a_100000220044_100000765890 [0,1,0,0,0,1|2,0,0]=4 3949 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)F 2230a_100020633736_100011206558 [0,1,0,0,0,1|2,0,0]=4 3950 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)F 269982a_100020633736_100011206558 [0,1,0,0,0,1|2,0,0]=4 3951 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)F 34a_100020633736_100000765890 [0,1,0,0,0,1|2,0,0]=4 3952 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)I 2230a_100000221217_100011206558 [0,1,0,0,0,1|2,0,0]=4 3953 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)I 269982a_100000221217_100011206558 [0,1,0,0,0,1|2,0,0]=4 3954 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)I 34a_100000221217_100000765890 [0,1,0,0,0,1|2,0,0]=4 3955 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)O 2230a_100000756613_100011206558 [0,1,0,0,0,1|2,0,0]=4 3956 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)O 269982a_100000756613_100011206558 [0,1,0,0,0,1|2,0,0]=4 3957 B16R1.59 CCOC(=O)CCN(C)c1cccc(c1)O 34a_100000756613_100000765890 [0,1,0,0,0,1|2,0,0]=4 3958 B16R1.59 CCOC(=O)CNC(=O)c1cccc(c1)Br 188690a_100000741813_100000210664 [0,1,0,0,0,1|0,0,0]=2 3959 B16R1.59 CCOC(=O)CNC(=O)c1cccc(c1)C 188690a_100000741813_100000189346 [0,1,0,0,0,1|0,0,0]=2 3960 B16R1.59 CCOC(=O)CNC(=O)c1cccc(c1)Cl 188690a_100000741813_100000210390 [0,1,0,0,0,1|0,0,0]=2 3961 B16R1.59 CCOC(=O)CNC(=O)c1cccc(c1)F 188690a_100000741813_100000210950 [0,1,0,0,0,1|0,0,0]=2 3962 B16R1.59 CCOC(=O)CNC(=O)c1cccc(c1)I 188690a_100000741813_100000184098 [0,1,0,0,0,1|0,0,0]=2 3963 B16R1.59 CCOC(=O)CNC(=O)c1cccc(c1)O 188690a_100000741813_100000183914 [0,1,0,0,0,1|0,0,0]=2 3964 B16R1.59 CCOC(=O)CNC(C)c1cccc(c1)Br 2230a_100020642005_100000188475 [0,1,0,0,0,1|1,0,1]=4 3965 B16R1.59 CCOC(=O)CNC(C)c1cccc(c1)Cl 2230a_100102723534_100000188475 [0,1,0,0,0,1|1,0,1]=4 3966 B16R1.59 CCOC(=O)CNC(C)c1cccc(c1)Cl 34a_100102723534_100000188475 [0,1,0,0,0,1|1,0,1]=4 3967 B16R1.59 CCOC(=O)CNC(C)c1cccc(c1)O 2230a_100000740644_100000188475 [0,1,0,0,0,1|1,0,1]=4 3968 B16R1.59 CCOC(=O)CN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000188475 [0,1,0,0,0,1|1,0,1]=4 3969 B16R1.59 CCOC(=O)CN[C@H](C)c1cccc(c1)C 34a_100000698126_100000188475 [0,1,0,0,0,1|1,0,1]=4 3970 B16R1.59 CCOC(=O)CN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000188475 [0,1,0,0,0,1|1,0,1]=4 3971 B16R1.59 CCOC(=O)CN[C@H](C)c1cccc(c1)F 34a_100015193778_100000188475 [0,1,0,0,0,1|1,0,1]=4 3972 B16R1.59 CCOC(=O)COC(C)c1cccc(c1)Br 34a_100000246457_100000188475 [0,1,0,0,0,1|1,0,1]=4 3973 B16R1.59 CCOC(=O)COC(C)c1cccc(c1)Br 7a_100000246457_100000188475 [0,1,0,0,0,1|1,0,1]=4 3974 B16R1.59 CCOC(=O)COC(C)c1cccc(c1)C 34a_100000757818_100000188475 [0,1,0,0,0,1|1,0,1]=4 3975 B16R1.59 CCOC(=O)COC(C)c1cccc(c1)C 7a_100000757818_100000188475 [0,1,0,0,0,1|1,0,1]=4 3976 B16R1.59 CCOC(=O)COC(C)c1cccc(c1)F 34a_100000744526_100000188475 [0,1,0,0,0,1|1,0,1]=4 3977 B16R1.59 CCOC(=O)COC(C)c1cccc(c1)F 7a_100000744526_100000188475 [0,1,0,0,0,1|1,0,1]=4 3978 B16R1.59 CCOC(=O)COC(C)c1cccc(c1)I 34a_100013085317_100000188475 [0,1,0,0,0,1|1,0,1]=4 3979 B16R1.59 CCOC(=O)COC(C)c1cccc(c1)I 7a_100013085317_100000188475 [0,1,0,0,0,1|1,0,1]=4 3980 B16R1.59 CCOC(=O)COC(C)c1cccc(c1)N 34a_100011217120_100000188475 [0,1,0,0,0,1|1,0,1]=4 3981 B16R1.59 CCOC(=O)COC(C)c1cccc(c1)N 7a_100011217120_100000188475 [0,1,0,0,0,1|1,0,1]=4 3982 B16R1.59 CCOC(=O)CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000188475 [0,1,0,0,0,1|1,0,1]=4 3983 B16R1.59 CCOC(=O)CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000188475 [0,1,0,0,0,1|1,0,1]=4 3984 B16R1.59 CNNC(=O)CNC(=O)c1cccc(c1)Br 22a_100016993582_100000179737 [0,1,0,0,0,1|2,0,0]=4 3985 B16R1.59 CNNC(=O)CNC(=O)c1cccc(c1)C 22a_100016993582_100000182573 [0,1,0,0,0,1|2,0,0]=4 3986 B16R1.59 CNNC(=O)CNC(=O)c1cccc(c1)Cl 22a_100016993582_100000182572 [0,1,0,0,0,1|2,0,0]=4 3987 B16R1.59 CNNC(=O)CNC(=O)c1cccc(c1)F 22a_100016993582_100000183068 [0,1,0,0,0,1|2,0,0]=4 3988 B16R1.59 Cc1cccc(c1)C(=O)NCC(=O)CCF 1458a_100000182573_100011217306 [0,1,0,0,0,1|2,0,0]=4 3989 B16R1.59 Cc1cccc(c1)C(=O)NCC(=O)CCO 1458a_100000182573_100000211926 [0,1,0,0,0,1|2,0,0]=4 3990 B16R1.59 O=C(CCF)CNC(=O)c1cccc(c1)Br 1458a_100000179737_100011217306 [0,1,0,0,0,1|2,0,0]=4 3991 B16R1.59 O=C(CCF)CNC(=O)c1cccc(c1)Cl 1458a_100000182572_100011217306 [0,1,0,0,0,1|2,0,0]=4 3992 B16R1.59 O=C(CCF)CNC(=O)c1cccc(c1)F 1458a_100000183068_100011217306 [0,1,0,0,0,1|2,0,0]=4 3993 B16R1.59 O=C(CCO)CNC(=O)c1cccc(c1)Br 1458a_100000179737_100000211926 [0,1,0,0,0,1|2,0,0]=4 3994 B16R1.59 O=C(CCO)CNC(=O)c1cccc(c1)Cl 1458a_100000182572_100000211926 [0,1,0,0,0,1|2,0,0]=4 3995 B16R1.59 O=C(CCO)CNC(=O)c1cccc(c1)F 1458a_100000183068_100000211926 [0,1,0,0,0,1|2,0,0]=4 3996 B16R1.612 C=C(C)CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000748629 [0,1,0,0,0,1|1,0,1]=4 3997 B16R1.612 CC(=CC(=O)CCC(=O)c1ccccc1)C 1458a_100000211388_100000750707 [0,1,0,0,0,1|1,0,1]=4 3998 B16R1.612 CC(=CC(=O)CCC(=O)c1ccccc1)Cl 1458a_200042562850_100000750707 [0,1,0,0,0,1|1,0,1]=4 3999 B16R1.612 CC(=CC(=O)CCC(=O)c1ccccc1)I 1458a_100025716642_100000750707 [0,1,0,0,0,1|1,0,1]=4 4000 B16R1.612 CC(=CC(=O)COC(=O)c1ccccc1)C 1458a_100000211388_100000073877 [0,1,0,0,0,1|1,0,1]=4 4001 B16R1.612 CC(=CC(=O)COC(=O)c1ccccc1)Cl 1458a_200042562850_100000073877 [0,1,0,0,0,1|1,0,1]=4 4002 B16R1.612 CC(=CC(=O)COC(=O)c1ccccc1)I 1458a_100025716642_100000073877 [0,1,0,0,0,1|1,0,1]=4 4003 B16R1.612 CC(C)CC(=O)CCC(=O)c1ccccc1 1458a_100000210554_100000750707 [0,1,0,0,0,1|1,0,0]=3 4004 B16R1.612 CC(C)CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210624 [0,1,0,0,0,1|1,0,0]=3 4005 B16R1.612 CC(C)CC(=O)CNC(=O)c1cccnc1 1458a_100000688122_100000210624 [0,1,0,0,0,1|2,0,0]=4 4006 B16R1.612 CC(C)CC(=O)COC(=O)c1ccccc1 1458a_100000210554_100000073877 [0,1,0,0,0,1|1,0,0]=3 4007 B16R1.612 CC(C)CC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000210624 [0,1,0,0,0,1|1,1,0]=4 4008 B16R1.612 CC(C)CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000210554 [0,1,0,0,0,1|2,0,0]=4 4009 B16R1.612 CC(C)CC(=O)NNC(=O)c1ccccc1 22a_100000189787_100000185807 [0,1,0,0,0,1|2,0,0]=4 4010 B16R1.612 CC(C)NC(=O)CCC(=O)c1ccccc1 1458a_100000185807_100000737564 [0,1,0,0,0,1|1,0,0]=3 4011 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 11a_100000168517_100000185807 [0,1,0,0,0,1|1,0,0]=3 4012 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 11a_100138425928_100000182045 [0,1,0,0,0,1|1,0,0]=3 4013 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 1626a_100000168517_100000185807 [0,1,0,0,0,1|1,0,0]=3 4014 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 1626a_100138425928_100000182045 [0,1,0,0,0,1|1,0,0]=3 4015 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 240690a_100000168517_100000185807 [0,1,0,0,0,1|1,0,0]=3 4016 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 240690a_100138425928_100000182045 [0,1,0,0,0,1|1,0,0]=3 4017 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 527a_100000168517_100000185807 [0,1,0,0,0,1|1,0,0]=3 4018 B16R1.612 CC(C)NC(=O)CNC(=O)c1ccccc1 527a_100138425928_100000182045 [0,1,0,0,0,1|1,0,0]=3 4019 B16R1.612 CC(C)NC(=O)CNC(=O)c1cccnc1 11a_100138425928_100000688122 [0,1,0,0,0,1|2,0,0]=4 4020 B16R1.612 CC(C)NC(=O)CNC(=O)c1cccnc1 240690a_100138425928_100000688122 [0,1,0,0,0,1|2,0,0]=4 4021 B16R1.612 CC(C)NC(=O)CNC(=O)c1cccnc1 527a_100138425928_100000688122 [0,1,0,0,0,1|2,0,0]=4 4022 B16R1.612 CC(C)NC(=O)CSC(=S)c1ccccc1 1626a_100138425928_100000043459 [0,1,0,0,0,1|1,1,0]=4 4023 B16R1.612 CC(C)NC(=O)CSC(=S)c1ccccc1 240690a_100138425928_100000043459 [0,1,0,0,0,1|1,1,0]=4 4024 B16R1.612 CC(C)NC(=O)CSC(=S)c1ccccc1 527a_100138425928_100000043459 [0,1,0,0,0,1|1,1,0]=4 4025 B16R1.612 CC(C)NC(=O)NNC(=O)c1ccccc1 273464a_100138425928_100000184135 [0,1,0,0,0,1|2,0,0]=4 4026 B16R1.612 CC(C)NC(=O)NNC(=O)c1ccccc1 512a_100000184135_100138425928 [0,1,0,0,0,1|2,0,0]=4 4027 B16R1.612 CC(C)OC(=O)CCC(=O)c1ccccc1 1458a_100000185807_100000760027 [0,1,0,0,0,1|0,0,0]=2 4028 B16R1.612 CC(C)OC(=O)CCN(C)c1ccccc1 2230a_100000210012_100000760027 [0,1,0,0,0,1|2,0,0]=4 4029 B16R1.612 CC(C)OC(=O)CCN(C)c1ccccc1 269982a_100000210012_100000760027 [0,1,0,0,0,1|2,0,0]=4 4030 B16R1.612 CC(C)OC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_100011215430 [0,1,0,0,0,1|1,0,1]=4 4031 B16R1.612 CC(C)OC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_100011215430 [0,1,0,0,0,1|1,0,1]=4 4032 B16R1.612 CC(C)OC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_100011215430 [0,1,0,0,0,1|1,0,1]=4 4033 B16R1.612 CC(C)OC(=O)CSC(C)c1ccccc1 62a_100000230085_100011215430 [0,1,0,0,0,1|1,0,1]=4 4034 B16R1.612 CC(C)OC(=O)CSC(C)c1ccccc1 62a_100011215430_100000230085 [0,1,0,0,0,1|1,0,1]=4 4035 B16R1.612 CC(C)OC(=O)OCC(=O)c1ccccc1 1458a_100000185807_100000003507 [0,1,0,0,0,1|0,0,0]=2 4036 B16R1.612 CC(C)OC(=O)OCN(C)c1ccccc1 269982a_100000210012_100010125566 [0,1,0,0,0,1|2,0,0]=4 4037 B16R1.612 CC(C)OC(C)CCC(=O)c1ccccc1 7a_200012571355_100000210206 [0,1,0,0,0,1|1,0,1]=4 4038 B16R1.612 CC(O)CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100011218427 [0,1,0,0,0,1|1,0,0]=3 4039 B16R1.612 CC(O)CC(=O)CNC(=O)c1cccnc1 1458a_100000688122_100011218427 [0,1,0,0,0,1|2,0,0]=4 4040 B16R1.612 CC(O)CC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100011218427 [0,1,0,0,0,1|1,1,0]=4 4041 B16R1.612 CN(C)CC(=O)CCC(=O)c1ccccc1 1458a_100000750896_100000750707 [0,1,0,0,0,1|2,0,0]=4 4042 B16R1.612 CN(C)CC(=O)COC(=O)c1ccccc1 1458a_100000750896_100000073877 [0,1,0,0,0,1|2,0,0]=4 4043 B16R1.612 C[C@@H](O)CC(=O)CCC(=O)c1ccccc1 1458a_100011933948_100000750707 [0,1,0,0,0,1|1,0,0]=3 4044 B16R1.612 C[C@@H](O)CC(=O)COC(=O)c1ccccc1 1458a_100011933948_100000073877 [0,1,0,0,0,1|1,0,0]=3 4045 B16R1.612 C[C@@H](O)CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100011933948 [0,1,0,0,0,1|2,0,0]=4 4046 B16R1.612 C[S+](C)CC(=O)CCC(=O)c1ccccc1 1458a_200159257847_100000750707 [0,1,0,0,0,1|2,0,0]=4 4047 B16R1.612 C[S+](C)CC(=O)COC(=O)c1ccccc1 1458a_200159257847_100000073877 [0,1,0,0,0,1|2,0,0]=4 4048 B16R1.612 O=C(CNC(=O)c1ccccc1)CC(F)F 1458a_100000182045_100011934356 [0,1,0,0,0,1|2,0,0]=4 4049 B16R1.700 C#CCCC(=O)CCC(=O)c1ccccc1 1458a_100000692101_100000750707 [0,1,0,0,0,1|1,0,1]=4 4050 B16R1.700 C#CCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000753159 [0,1,0,0,0,1|1,0,1]=4 4051 B16R1.700 C#CCCC(=O)COC(=O)c1ccccc1 1458a_100000692101_100000073877 [0,1,0,0,0,1|1,0,1]=4 4052 B16R1.700 C#CCNC(=O)CNC(=O)c1ccccc1 11a_100000212058_100000182045 [0,1,0,0,0,1|1,0,1]=4 4053 B16R1.700 C#CCNC(=O)CNC(=O)c1ccccc1 11a_100000747989_100000185807 [0,1,0,0,0,1|1,0,1]=4 4054 B16R1.700 C#CCNC(=O)CNC(=O)c1ccccc1 1626a_100000212058_100000182045 [0,1,0,0,0,1|1,0,1]=4 4055 B16R1.700 C#CCNC(=O)CNC(=O)c1ccccc1 1626a_100000747989_100000185807 [0,1,0,0,0,1|1,0,1]=4 4056 B16R1.700 C#CCNC(=O)CNC(=O)c1ccccc1 240690a_100000212058_100000182045 [0,1,0,0,0,1|1,0,1]=4 4057 B16R1.700 C#CCNC(=O)CNC(=O)c1ccccc1 240690a_100000747989_100000185807 [0,1,0,0,0,1|1,0,1]=4 4058 B16R1.700 C#CCNC(=O)CNC(=O)c1ccccc1 527a_100000212058_100000182045 [0,1,0,0,0,1|1,0,1]=4 4059 B16R1.700 C#CCNC(=O)CNC(=O)c1ccccc1 527a_100000747989_100000185807 [0,1,0,0,0,1|1,0,1]=4 4060 B16R1.700 C/C=C/CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100102629194 [0,1,0,0,0,1|1,0,1]=4 4061 B16R1.700 C=CCCC(=O)CCC(=O)c1ccccc1 1458a_100000749702_100000750707 [0,1,0,0,0,1|1,0,1]=4 4062 B16R1.700 C=CCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000754431 [0,1,0,0,0,1|1,0,1]=4 4063 B16R1.700 C=CCCC(=O)COC(=O)c1ccccc1 1458a_100000749702_100000073877 [0,1,0,0,0,1|1,0,1]=4 4064 B16R1.700 C=CCNC(=O)CNC(=O)c1ccccc1 1626a_100020586998_100000182045 [0,1,0,0,0,1|1,0,1]=4 4065 B16R1.700 C=CCNC(=O)CNC(=O)c1ccccc1 240690a_100020586998_100000182045 [0,1,0,0,0,1|1,0,1]=4 4066 B16R1.700 C=CCNC(=O)CNC(=O)c1ccccc1 527a_100020586998_100000182045 [0,1,0,0,0,1|1,0,1]=4 4067 B16R1.700 CC#CCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000748600 [0,1,0,0,0,1|1,0,1]=4 4068 B16R1.700 CC(CCC(=O)c1ccccc1)OCCF 7a_200012571355_100011217306 [0,1,0,0,0,1|1,0,1]=4 4069 B16R1.700 CC(CCC(=O)c1ccccc1)OCCO 7a_200012571355_100000211926 [0,1,0,0,0,1|1,0,1]=4 4070 B16R1.700 CC=CCC(=O)CCC(=O)c1ccccc1 1458a_100121576822_100000750707 [0,1,0,0,0,1|1,0,1]=4 4071 B16R1.700 CC=CCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000070051 [0,1,0,0,0,1|1,0,1]=4 4072 B16R1.700 CC=CCC(=O)COC(=O)c1ccccc1 1458a_100121576822_100000073877 [0,1,0,0,0,1|1,0,1]=4 4073 B16R1.700 CCC#CC(=O)CCC(=O)c1ccccc1 1458a_100011827653_100000750707 [0,1,0,0,0,1|1,0,0]=3 4074 B16R1.700 CCC#CC(=O)COC(=O)c1ccccc1 1458a_100011827653_100000073877 [0,1,0,0,0,1|1,0,0]=3 4075 B16R1.700 CCC#CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100011827653 [0,1,0,0,0,1|2,0,0]=4 4076 B16R1.700 CCC=CC(=O)CCC(=O)c1ccccc1 1458a_100000212282_100000750707 [0,1,0,0,0,1|1,0,0]=3 4077 B16R1.700 CCC=CC(=O)COC(=O)c1ccccc1 1458a_100000212282_100000073877 [0,1,0,0,0,1|1,0,0]=3 4078 B16R1.700 CCC=CC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000212282 [0,1,0,0,0,1|2,0,0]=4 4079 B16R1.700 CCCCC(=O)CCC(=O)c1ccccc1 1458a_100000210183_100000750707 [0,1,0,0,0,1|1,0,0]=3 4080 B16R1.700 CCCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210211 [0,1,0,0,0,1|1,0,0]=3 4081 B16R1.700 CCCCC(=O)CNC(=O)c1cccnc1 1458a_100000688122_100000210211 [0,1,0,0,0,1|2,0,0]=4 4082 B16R1.700 CCCCC(=O)COC(=O)c1ccccc1 1458a_100000210183_100000073877 [0,1,0,0,0,1|1,0,0]=3 4083 B16R1.700 CCCCC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000210211 [0,1,0,0,0,1|1,1,0]=4 4084 B16R1.700 CCCCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000210183 [0,1,0,0,0,1|2,0,0]=4 4085 B16R1.700 CCCCC(=O)NNC(=O)c1ccccc1 22a_100000189769_100000185807 [0,1,0,0,0,1|2,0,0]=4 4086 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 11a_100000174927_100000185807 [0,1,0,0,0,1|1,0,0]=3 4087 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 11a_100020643023_100000182045 [0,1,0,0,0,1|1,0,0]=3 4088 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 1626a_100000174927_100000185807 [0,1,0,0,0,1|1,0,0]=3 4089 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 1626a_100020643023_100000182045 [0,1,0,0,0,1|1,0,0]=3 4090 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 240690a_100000174927_100000185807 [0,1,0,0,0,1|1,0,0]=3 4091 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 240690a_100020643023_100000182045 [0,1,0,0,0,1|1,0,0]=3 4092 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 527a_100000174927_100000185807 [0,1,0,0,0,1|1,0,0]=3 4093 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 527a_100020643023_100000182045 [0,1,0,0,0,1|1,0,0]=3 4094 B16R1.700 CCCNC(=O)CNC(=O)c1cccnc1 11a_100020643023_100000688122 [0,1,0,0,0,1|2,0,0]=4 4095 B16R1.700 CCCNC(=O)CNC(=O)c1cccnc1 240690a_100020643023_100000688122 [0,1,0,0,0,1|2,0,0]=4 4096 B16R1.700 CCCNC(=O)CNC(=O)c1cccnc1 527a_100020643023_100000688122 [0,1,0,0,0,1|2,0,0]=4 4097 B16R1.700 CCCNC(=O)CSC(=S)c1ccccc1 1626a_100020643023_100000043459 [0,1,0,0,0,1|1,1,0]=4 4098 B16R1.700 CCCNC(=O)CSC(=S)c1ccccc1 240690a_100020643023_100000043459 [0,1,0,0,0,1|1,1,0]=4 4099 B16R1.700 CCCNC(=O)CSC(=S)c1ccccc1 527a_100020643023_100000043459 [0,1,0,0,0,1|1,1,0]=4 4100 B16R1.700 CCCNC(=O)NNC(=O)c1ccccc1 273464a_100020643023_100000184135 [0,1,0,0,0,1|2,0,0]=4 4101 B16R1.700 CCCNC(=O)NNC(=O)c1ccccc1 512a_100000184135_100020643023 [0,1,0,0,0,1|2,0,0]=4 4102 B16R1.700 CCCOC(=O)CN[C@H](C)c1ccccc1 2230a_100000751104_200011215008 [0,1,0,0,0,1|1,0,1]=4 4103 B16R1.700 CCCOC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_200011215008 [0,1,0,0,0,1|1,0,1]=4 4104 B16R1.700 CCCOC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_200011215008 [0,1,0,0,0,1|1,0,1]=4 4105 B16R1.700 CCCOC(=O)CSC(C)c1ccccc1 62a_100000230085_200011215008 [0,1,0,0,0,1|1,0,1]=4 4106 B16R1.700 CCCOC(=O)CSC(C)c1ccccc1 62a_200011215008_100000230085 [0,1,0,0,0,1|1,0,1]=4 4107 B16R1.700 CCCOC(=O)OCC(=O)c1ccccc1 1458a_100000185807_200000139673 [0,1,0,0,0,1|0,0,0]=2 4108 B16R1.700 CCCOC(=O)OCN(C)c1ccccc1 269982a_100000210012_200000139673 [0,1,0,0,0,1|2,0,0]=4 4109 B16R1.700 CCCOC(=O)OCN(C)c1ccccc1 34a_100000210012_200000139673 [0,1,0,0,0,1|2,0,0]=4 4110 B16R1.700 CCCOC(C)CCC(=O)c1ccccc1 7a_200012571355_100000210303 [0,1,0,0,0,1|1,0,1]=4 4111 B16R1.700 CCCOC(C)CNC(=O)c1ccccc1 11a_100015185124_100000185807 [0,1,0,0,0,1|1,0,1]=4 4112 B16R1.700 CCCOC(C)CNC(=O)c1ccccc1 1626a_100015185124_100000185807 [0,1,0,0,0,1|1,0,1]=4 4113 B16R1.700 CCCOC(C)CNC(=O)c1ccccc1 240690a_100015185124_100000185807 [0,1,0,0,0,1|1,0,1]=4 4114 B16R1.700 CCCOC(C)CNC(=O)c1ccccc1 527a_100015185124_100000185807 [0,1,0,0,0,1|1,0,1]=4 4115 B16R1.700 CCNCC(=O)NNC(=O)c1ccccc1 2230a_100015525214_100000010089 [0,1,0,0,0,1|2,0,0]=4 4116 B16R1.700 CCNNC(=O)CNC(=O)c1ccccc1 22a_100000756455_100000182045 [0,1,0,0,0,1|1,0,0]=3 4117 B16R1.700 CCNNC(=O)CNC(=O)c1cccnc1 22a_100000756455_100000688122 [0,1,0,0,0,1|2,0,0]=4 4118 B16R1.700 CCNNC(=O)NNC(=O)c1ccccc1 512a_100000184135_100000756455 [0,1,0,0,0,1|2,0,0]=4 4119 B16R1.700 CCOCC(=O)CCC(=O)c1ccccc1 1458a_100000211967_100000750707 [0,1,0,0,0,1|0,0,0]=2 4120 B16R1.700 CCOCC(=O)CC[C@@H](O)c1ccccc1 1458a_100000211967_100000729684 [0,1,0,0,0,1|0,0,2]=4 4121 B16R1.700 CCOCC(=O)COC(=O)c1ccccc1 1458a_100000211967_100000073877 [0,1,0,0,0,1|0,0,0]=2 4122 B16R1.700 CCOCC(=O)NCC(C)c1ccccc1 11a_100000701038_100000211967 [0,1,0,0,0,1|1,0,1]=4 4123 B16R1.700 CCOCC(=O)NCC(C)c1ccccc1 1626a_100000701038_100000211967 [0,1,0,0,0,1|1,0,1]=4 4124 B16R1.700 CCOCC(=O)NCC(C)c1ccccc1 240690a_100000701038_100000211967 [0,1,0,0,0,1|1,0,1]=4 4125 B16R1.700 CCOCC(=O)NCC(C)c1ccccc1 527a_100000701038_100000211967 [0,1,0,0,0,1|1,0,1]=4 4126 B16R1.700 CCOCC(=O)NCC(O)c1ccccc1 240690a_100000210709_100000211967 [0,1,0,0,0,1|0,0,2]=4 4127 B16R1.700 CCOCC(=O)NCC(O)c1ccccc1 527a_100000210709_100000211967 [0,1,0,0,0,1|0,0,2]=4 4128 B16R1.700 CCOCC(=O)NN=C(C)c1ccccc1 4a_100000216846_100000185851 [0,1,0,0,0,1|2,0,0]=4 4129 B16R1.700 CCOCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000211967 [0,1,0,0,0,1|1,0,0]=3 4130 B16R1.700 CCOCC(=O)NNC(=O)c1ccccc1 22a_100000216846_100000185807 [0,1,0,0,0,1|1,0,0]=3 4131 B16R1.700 CCOCC(=O)NNC(=O)c1ccccn1 22a_100000184044_100000211967 [0,1,0,0,0,1|2,0,0]=4 4132 B16R1.700 CCOCC(=O)NNC(=O)c1cccnc1 22a_100000189771_100000211967 [0,1,0,0,0,1|2,0,0]=4 4133 B16R1.700 CCOCC(=O)NNC(=O)c1ccncc1 22a_100000189768_100000211967 [0,1,0,0,0,1|2,0,0]=4 4134 B16R1.700 CCOCC(C)OCC(=O)c1ccccc1 7a_100000718985_100000211460 [0,1,0,0,0,1|1,0,1]=4 4135 B16R1.700 CCOCC(O)CNC(=O)c1ccccc1 240690a_102515437182_100000185807 [0,1,0,0,0,1|0,0,2]=4 4136 B16R1.700 CCOCC(O)CNC(=O)c1ccccc1 527a_102515437182_100000185807 [0,1,0,0,0,1|0,0,2]=4 4137 B16R1.700 CCSCC(=O)CCC(=O)c1ccccc1 1458a_100000230394_100000750707 [0,1,0,0,0,1|0,1,0]=3 4138 B16R1.700 CCSCC(=O)COC(=O)c1ccccc1 1458a_100000230394_100000073877 [0,1,0,0,0,1|0,1,0]=3 4139 B16R1.700 CCSCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000230394 [0,1,0,0,0,1|1,1,0]=4 4140 B16R1.700 CCSCC(=O)NNC(=O)c1ccccc1 62a_100000010089_100000210202 [0,1,0,0,0,1|1,1,0]=4 4141 B16R1.700 CCSCC(=O)NNC(=O)c1ccccc1 62a_100000210202_100000010089 [0,1,0,0,0,1|1,1,0]=4 4142 B16R1.700 COC=CC(=O)CCC(=O)c1ccccc1 1458a_100016268678_100000750707 [0,1,0,0,0,1|1,0,1]=4 4143 B16R1.700 COC=CC(=O)COC(=O)c1ccccc1 1458a_100016268678_100000073877 [0,1,0,0,0,1|1,0,1]=4 4144 B16R1.700 COCCC(=O)CCC(=O)c1ccccc1 1458a_100000749529_100000750707 [0,1,0,0,0,1|1,0,0]=3 4145 B16R1.700 COCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000233755 [0,1,0,0,0,1|1,0,0]=3 4146 B16R1.700 COCCC(=O)CNC(=O)c1cccnc1 1458a_100000688122_100000233755 [0,1,0,0,0,1|2,0,0]=4 4147 B16R1.700 COCCC(=O)COC(=O)c1ccccc1 1458a_100000749529_100000073877 [0,1,0,0,0,1|1,0,0]=3 4148 B16R1.700 COCCC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000233755 [0,1,0,0,0,1|1,1,0]=4 4149 B16R1.700 COCCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000749529 [0,1,0,0,0,1|2,0,0]=4 4150 B16R1.700 COCCC(=O)NNC(=O)c1ccccc1 22a_100011260505_100000185807 [0,1,0,0,0,1|2,0,0]=4 4151 B16R1.700 CSCCC(=O)CCC(=O)c1ccccc1 1458a_100000174002_100000750707 [0,1,0,0,0,1|1,0,0]=3 4152 B16R1.700 CSCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000751147 [0,1,0,0,0,1|1,0,0]=3 4153 B16R1.700 CSCCC(=O)CNC(=O)c1cccnc1 1458a_100000688122_100000751147 [0,1,0,0,0,1|2,0,0]=4 4154 B16R1.700 CSCCC(=O)COC(=O)c1ccccc1 1458a_100000174002_100000073877 [0,1,0,0,0,1|1,0,0]=3 4155 B16R1.700 CSCCC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000751147 [0,1,0,0,0,1|1,1,0]=4 4156 B16R1.700 CSCCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000174002 [0,1,0,0,0,1|2,0,0]=4 4157 B16R1.700 N#CCCC(=O)CCC(=O)c1ccccc1 1458a_100011934036_100000750707 [0,1,0,0,0,1|1,0,1]=4 4158 B16R1.700 N#CCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100011215226 [0,1,0,0,0,1|1,0,1]=4 4159 B16R1.700 N#CCCC(=O)COC(=O)c1ccccc1 1458a_100011934036_100000073877 [0,1,0,0,0,1|1,0,1]=4 4160 B16R1.700 N#CCNC(=O)CNC(=O)c1ccccc1 1626a_100000734998_100000182045 [0,1,0,0,0,1|1,0,1]=4 4161 B16R1.700 N#CCNC(=O)CNC(=O)c1ccccc1 527a_100000734998_100000182045 [0,1,0,0,0,1|1,0,1]=4 4162 B16R1.700 O=C(C#CCO)CCC(=O)c1ccccc1 1458a_100000049017_100000750707 [0,1,0,0,0,1|1,0,1]=4 4163 B16R1.700 O=C(C#CCO)COC(=O)c1ccccc1 1458a_100000049017_100000073877 [0,1,0,0,0,1|1,0,1]=4 4164 B16R1.700 O=C(CCCF)CNC(=O)c1ccccc1 1458a_100000182045_100011934791 [0,1,0,0,0,1|1,0,0]=3 4165 B16R1.700 O=C(CCCF)CNC(=O)c1cccnc1 1458a_100000688122_100011934791 [0,1,0,0,0,1|2,0,0]=4 4166 B16R1.700 O=C(CCCF)CSC(=S)c1ccccc1 1458a_100000043459_100011934791 [0,1,0,0,0,1|1,1,0]=4 4167 B16R1.700 O=C(CCCO)CNC(=O)c1ccccc1 1458a_100000182045_100011215043 [0,1,0,0,0,1|1,0,0]=3 4168 B16R1.700 O=C(CCCO)CNC(=O)c1cccnc1 1458a_100000688122_100011215043 [0,1,0,0,0,1|2,0,0]=4 4169 B16R1.700 O=C(CCCO)CSC(=S)c1ccccc1 1458a_100000043459_100011215043 [0,1,0,0,0,1|1,1,0]=4 4170 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 11a_100000724931_100000182045 [0,1,0,0,0,1|1,0,0]=3 4171 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 11a_100000725713_100000185807 [0,1,0,0,0,1|1,0,0]=3 4172 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 1626a_100000724931_100000182045 [0,1,0,0,0,1|1,0,0]=3 4173 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 1626a_100000725713_100000185807 [0,1,0,0,0,1|1,0,0]=3 4174 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 240690a_100000724931_100000182045 [0,1,0,0,0,1|1,0,0]=3 4175 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 240690a_100000725713_100000185807 [0,1,0,0,0,1|1,0,0]=3 4176 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 527a_100000724931_100000182045 [0,1,0,0,0,1|1,0,0]=3 4177 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCF 527a_100000725713_100000185807 [0,1,0,0,0,1|1,0,0]=3 4178 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCO 240690a_100000210304_100000182045 [0,1,0,0,0,1|1,0,0]=3 4179 B16R1.700 O=C(CNC(=O)c1ccccc1)NCCO 527a_100000210304_100000182045 [0,1,0,0,0,1|1,0,0]=3 4180 B16R1.700 O=C(CNC(=O)c1cccnc1)NCCF 11a_100000724931_100000688122 [0,1,0,0,0,1|2,0,0]=4 4181 B16R1.700 O=C(CNC(=O)c1cccnc1)NCCF 240690a_100000724931_100000688122 [0,1,0,0,0,1|2,0,0]=4 4182 B16R1.700 O=C(CNC(=O)c1cccnc1)NCCF 527a_100000724931_100000688122 [0,1,0,0,0,1|2,0,0]=4 4183 B16R1.700 O=C(CNC(=O)c1cccnc1)NCCO 240690a_100000210304_100000688122 [0,1,0,0,0,1|2,0,0]=4 4184 B16R1.700 O=C(CNC(=O)c1cccnc1)NCCO 527a_100000210304_100000688122 [0,1,0,0,0,1|2,0,0]=4 4185 B16R1.700 O=C(CSC(=S)c1ccccc1)NCCF 1626a_100000724931_100000043459 [0,1,0,0,0,1|1,1,0]=4 4186 B16R1.700 O=C(CSC(=S)c1ccccc1)NCCF 240690a_100000724931_100000043459 [0,1,0,0,0,1|1,1,0]=4 4187 B16R1.700 O=C(CSC(=S)c1ccccc1)NCCF 527a_100000724931_100000043459 [0,1,0,0,0,1|1,1,0]=4 4188 B16R1.700 O=C(CSC(=S)c1ccccc1)NCCO 240690a_100000210304_100000043459 [0,1,0,0,0,1|1,1,0]=4 4189 B16R1.700 O=C(CSC(=S)c1ccccc1)NCCO 527a_100000210304_100000043459 [0,1,0,0,0,1|1,1,0]=4 4190 B16R1.700 O=C(NCCF)NNC(=O)c1ccccc1 273464a_100000724931_100000184135 [0,1,0,0,0,1|2,0,0]=4 4191 B16R1.700 O=C(NCCF)NNC(=O)c1ccccc1 512a_100000184135_100000724931 [0,1,0,0,0,1|2,0,0]=4 4192 B16R1.700 O=C(NCCO)NNC(=O)c1ccccc1 273464a_100000210304_100000184135 [0,1,0,0,0,1|2,0,0]=4 4193 B16R1.700 O=C(NCCO)NNC(=O)c1ccccc1 512a_100000184135_100000210304 [0,1,0,0,0,1|2,0,0]=4 4194 B16R1.912 C=C(CN(C)c1ccccc1)C(=O)OCC 269982a_100000210012_100000755967 [0,1,0,0,0,1|2,0,0]=4 4195 B16R1.912 C=C(CN(C)c1ccccc1)C(=O)OCC 34a_100000210012_100000755967 [0,1,0,0,0,1|2,0,0]=4 4196 B16R1.912 CC/C=C(\C)/C(=O)CC(=O)c1ccccc1 1458a_100016988807_100000211460 [0,1,0,0,0,1|2,0,0]=4 4197 B16R1.912 CCCC(=O)C(O)NC(=O)c1ccccc1 1458a_100000067094_100000210303 [0,1,0,0,0,1|1,0,0]=3 4198 B16R1.912 CCCC(=O)[C@@H](C)NC(=O)c1ccccc1 1458a_100011504567_100000210303 [0,1,0,0,0,1|1,0,0]=3 4199 B16R1.912 CCCC(=O)[C@@H](C)OC(=O)c1ccccc1 1458a_200035542198_100000210303 [0,1,0,0,0,1|1,0,0]=3 4200 B16R1.912 CCNC(=O)C(=O)CC(=O)c1ccccc1 1458a_200011297158_100000211460 [0,1,0,0,0,1|1,0,0]=3 4201 B16R1.912 CCNC(=O)C(=O)CC(=O)c1ccccn1 1458a_200011297158_100000027445 [0,1,0,0,0,1|2,0,0]=4 4202 B16R1.912 CCNC(=O)C(=O)CC(=O)c1cccnc1 1458a_200011297158_100015188593 [0,1,0,0,0,1|2,0,0]=4 4203 B16R1.912 CCNC(=O)C(=O)CC(=O)c1ccncc1 1458a_200011297158_100000027454 [0,1,0,0,0,1|2,0,0]=4 4204 B16R1.912 CCNC(=O)C(C)NC(=O)c1ccccc1 11a_100000736553_100000185807 [0,1,0,0,0,1|1,0,0]=3 4205 B16R1.912 CCNC(=O)C(C)NC(=O)c1ccccc1 1626a_100000736553_100000185807 [0,1,0,0,0,1|1,0,0]=3 4206 B16R1.912 CCNC(=O)C(C)NC(=O)c1ccccc1 240690a_100000736553_100000185807 [0,1,0,0,0,1|1,0,0]=3 4207 B16R1.912 CCNC(=O)C(C)NC(=O)c1ccccc1 527a_100000736553_100000185807 [0,1,0,0,0,1|1,0,0]=3 4208 B16R1.912 CCNC(=O)C(O)NC(=O)c1ccccc1 240690a_100015525214_100000067094 [0,1,0,0,0,1|1,0,0]=3 4209 B16R1.912 CCNC(=O)[C@@H](C)NC(=O)c1ccccc1 240690a_100015525214_100011504567 [0,1,0,0,0,1|1,0,0]=3 4210 B16R1.912 CCNC(=O)[C@@H](C)NC(=O)c1ccccc1 527a_100015525214_100011504567 [0,1,0,0,0,1|1,0,0]=3 4211 B16R1.912 CCNC(=O)[C@@H](C)OC(=O)c1ccccc1 11a_100015525214_200035542198 [0,1,0,0,0,1|1,0,0]=3 4212 B16R1.912 CCNC(=O)[C@@H](C)OC(=O)c1ccccc1 240690a_100015525214_200035542198 [0,1,0,0,0,1|1,0,0]=3 4213 B16R1.912 CCNC(=O)[C@@H](C)OC(=O)c1ccccc1 527a_100015525214_200035542198 [0,1,0,0,0,1|1,0,0]=3 4214 B16R1.912 CCOC(=O)C(=O)CN(C)c1ccccc1 269982a_100000210012_100000211299 [0,1,0,0,0,1|2,0,0]=4 4215 B16R1.912 CCOC(=O)C(C)N[C@H](C)c1ccccc1 2230a_100000751104_100011215307 [0,1,0,0,0,1|1,0,1]=4 4216 B16R1.912 CCOC(=O)C(C)O[C@H](C)c1ccccc1 34a_100000761318_100011216346 [0,1,0,0,0,1|1,0,1]=4 4217 B16R1.912 CCOC(=O)C(C)O[C@H](C)c1ccccc1 7a_100000761318_100011216346 [0,1,0,0,0,1|1,0,1]=4 4218 B16R1.912 CCOC(=O)C(C)SC(C)c1ccccc1 62a_100000230085_100011216346 [0,1,0,0,0,1|1,0,1]=4 4219 B16R1.912 CCOC(=O)C(C)SC(C)c1ccccc1 62a_100011216346_100000230085 [0,1,0,0,0,1|1,0,1]=4 4220 B16R1.912 CCOC(=O)C(F)N[C@H](C)c1ccccc1 2230a_100000751104_100000760018 [0,1,0,0,0,1|1,0,1]=4 4221 B16R1.912 CCOC(=O)C(F)O[C@H](C)c1ccccc1 34a_100000761318_100000760018 [0,1,0,0,0,1|1,0,1]=4 4222 B16R1.912 CCOC(=O)C(F)O[C@H](C)c1ccccc1 7a_100000761318_100000040065 [0,1,0,0,0,1|1,0,1]=4 4223 B16R1.912 CCOC(=O)C(F)SC(C)c1ccccc1 62a_100000230085_100000760018 [0,1,0,0,0,1|1,0,1]=4 4224 B16R1.912 CCOC(=O)C(F)SC(C)c1ccccc1 62a_100000760018_100000230085 [0,1,0,0,0,1|1,0,1]=4 4225 B16R1.912 CCOC(=O)[C@@H](C)NC(=O)c1ccccc1 188690a_100016988386_100000185807 [0,1,0,0,0,1|0,0,0]=2 4226 B16R1.912 CCOC(=O)[C@H](C)OC(C)c1ccccc1 7a_100000751109_100000230085 [0,1,0,0,0,1|1,0,1]=4 4227 B16R1.912 CCOC(C)C(=O)CC(=O)c1ccccc1 1458a_100000739345_100000211460 [0,1,0,0,0,1|1,0,1]=4 4228 B16R1.912 CCSC(=O)[C@H](C)NC(=O)c1ccccc1 11a_100103168634_100000185807 [0,1,0,0,0,1|0,1,0]=3 4229 B16R1.912 CCSC(=O)[C@H](C)NC(=O)c1ccccc1 1626a_100103168634_100000185807 [0,1,0,0,0,1|0,1,0]=3 4230 B16R1.912 CCSC(=O)[C@H](C)NC(=O)c1ccccc1 240690a_100103168634_100000185807 [0,1,0,0,0,1|0,1,0]=3 4231 B16R1.912 CCSC(=O)[C@H](C)NC(=O)c1ccccc1 527a_100103168634_100000185807 [0,1,0,0,0,1|0,1,0]=3 4232 B16R1.912 CNNC(=O)[C@@H](C)NC(=O)c1ccccc1 22a_100016993582_100011504567 [0,1,0,0,0,1|2,0,0]=4 4233 B16R1.912 CNNC(=O)[C@@H](C)OC(=O)c1ccccc1 22a_100016993582_200035542198 [0,1,0,0,0,1|2,0,0]=4 4234 B16R1.912 C[C@@H](NC(=O)c1ccccc1)C(=O)CCF 1458a_100011504567_100011217306 [0,1,0,0,0,1|2,0,0]=4 4235 B16R1.912 C[C@@H](NC(=O)c1ccccc1)C(=O)CCO 1458a_100011504567_100000211926 [0,1,0,0,0,1|2,0,0]=4 4236 B16R1.912 C[C@@H](OC(=O)c1ccccc1)C(=O)CCF 1458a_200035542198_100011217306 [0,1,0,0,0,1|2,0,0]=4 4237 B16R1.912 C[C@@H](OC(=O)c1ccccc1)C(=O)CCO 1458a_200035542198_100000211926 [0,1,0,0,0,1|2,0,0]=4 4238 B16R1.912 O=C(NC(O)C(=O)CCF)c1ccccc1 1458a_100000067094_100011217306 [0,1,0,0,0,1|2,0,0]=4 4239 B16R1.912 O=C(NC(O)C(=O)CCO)c1ccccc1 1458a_100000067094_100000211926 [0,1,0,0,0,1|2,0,0]=4 4240 B16R1.915 C=C(C(=O)CC(=O)CCC)c1ccccc1 1458a_100000065200_100000747444 [0,1,0,0,0,1|2,0,0]=4 4241 B16R1.915 C=C(C(=O)CC(=O)NCC)c1ccccc1 1458a_100000065200_100000183381 [0,1,0,0,0,1|2,0,0]=4 4242 B16R1.915 C=C(C(=O)CC(=O)OCC)c1ccccc1 1458a_100000065200_100000188475 [0,1,0,0,0,1|1,0,0]=3 4243 B16R1.915 CCCC(=O)CN(C)C(=O)c1ccccc1 1458a_100000194983_100000210303 [0,1,0,0,0,1|1,0,0]=3 4244 B16R1.915 CCNC(=O)CN(C)C(=O)c1ccccc1 11a_100000741943_100000185807 [0,1,0,0,0,1|1,0,0]=3 4245 B16R1.915 CCNC(=O)CN(C)C(=O)c1ccccc1 11a_100015525214_100000194983 [0,1,0,0,0,1|1,0,0]=3 4246 B16R1.915 CCNC(=O)CN(C)C(=O)c1ccccc1 1626a_100000741943_100000185807 [0,1,0,0,0,1|1,0,0]=3 4247 B16R1.915 CCNC(=O)CN(C)C(=O)c1ccccc1 240690a_100000741943_100000185807 [0,1,0,0,0,1|1,0,0]=3 4248 B16R1.915 CCNC(=O)CN(C)C(=O)c1ccccc1 240690a_100015525214_100000194983 [0,1,0,0,0,1|1,0,0]=3 4249 B16R1.915 CCNC(=O)CN(C)C(=O)c1ccccc1 527a_100000741943_100000185807 [0,1,0,0,0,1|1,0,0]=3 4250 B16R1.915 CCNC(=O)CN(C)C(=O)c1ccccc1 527a_100015525214_100000194983 [0,1,0,0,0,1|1,0,0]=3 4251 B16R1.915 CCOC(=O)CC(=O)C(C)c1ccccc1 1458a_100000243816_100000230085 [0,1,0,0,0,1|1,0,1]=4 4252 B16R1.915 CCOC(=O)CC(=O)C(F)c1ccccc1 1458a_100000698975_100000188475 [0,1,0,0,0,1|1,0,1]=4 4253 B16R1.915 CCOC(=O)CC(=O)N(C)c1ccccc1 22a_100000210012_100000243816 [0,1,0,0,0,1|2,0,0]=4 4254 B16R1.915 CCOC(=O)CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000188475 [0,1,0,0,0,1|1,0,1]=4 4255 B16R1.915 CCOC(=O)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000188475 [0,1,0,0,0,1|0,0,2]=4 4256 B16R1.915 CCOC(=O)CC(C)C(=O)c1ccccc1 1458a_100000185807_100009817359 [0,1,0,0,0,1|0,0,0]=2 4257 B16R1.915 CCOC(=O)CC(C)N(C)c1ccccc1 2230a_100000210012_100009817359 [0,1,0,0,0,1|2,0,0]=4 4258 B16R1.915 CCOC(=O)CC(C)N(C)c1ccccc1 269982a_100000210012_100009817359 [0,1,0,0,0,1|2,0,0]=4 4259 B16R1.915 CCOC(=O)CN(C)C(=O)c1ccccc1 11a_100000220588_100000185807 [0,1,0,0,0,1|0,0,0]=2 4260 B16R1.915 CCOC(=O)CN(C)C(=O)c1ccccc1 1626a_100000220588_100000185807 [0,1,0,0,0,1|0,0,0]=2 4261 B16R1.915 CCOC(=O)CN(C)C(=O)c1ccccc1 240690a_100000220588_100000185807 [0,1,0,0,0,1|0,0,0]=2 4262 B16R1.915 CCOC(=O)CN(C)C(=O)c1ccccc1 527a_100000220588_100000185807 [0,1,0,0,0,1|0,0,0]=2 4263 B16R1.915 CCOC(=O)CN(C)C(C)c1ccccc1 2230a_100000195388_100000188475 [0,1,0,0,0,1|1,0,1]=4 4264 B16R1.915 CCOC(=O)CN(C)C(C)c1ccccc1 2230a_100000220588_100000230085 [0,1,0,0,0,1|1,0,1]=4 4265 B16R1.915 CCOC(=O)CN(C)C(C)c1ccccc1 269982a_100000195388_100000188475 [0,1,0,0,0,1|1,0,1]=4 4266 B16R1.915 CCOC(=O)CN(C)[C@@H](C)c1ccccc1 2230a_100011939997_200000210301 [0,1,0,0,0,1|1,0,1]=4 4267 B16R1.915 CCOC(=O)CN(C)[C@@H](C)c1ccccc1 269982a_100011939997_200000210301 [0,1,0,0,0,1|1,0,1]=4 4268 B16R1.915 CCOC(=O)CN([13CH3])[C@@H](C)c1ccccc1 2230a_100011939997_200025704644 [0,1,0,0,0,1|1,0,1]=4 4269 B16R1.915 CCOC(=O)CN([13CH3])[C@@H](C)c1ccccc1 269982a_100011939997_200025704644 [0,1,0,0,0,1|1,0,1]=4 4270 B16R1.915 CCOC(=O)OC(C)N(C)c1ccccc1 269982a_100000210012_100000036008 [0,1,0,0,0,1|2,0,0]=4 4271 B16R1.915 CN(CC(=O)CCF)C(=O)c1ccccc1 1458a_100000194983_100011217306 [0,1,0,0,0,1|2,0,0]=4 4272 B16R1.915 CN(CC(=O)CCO)C(=O)c1ccccc1 1458a_100000194983_100000211926 [0,1,0,0,0,1|2,0,0]=4 4273 B16R1.915 CNNC(=O)CN(C)C(=O)c1ccccc1 22a_100016993582_100000194983 [0,1,0,0,0,1|2,0,0]=4 4274 B16R1.1145 C/C=C(\C)/C(=O)CCC(=O)c1ccccc1 1458a_100020587367_100000750707 [0,1,0,0,0,1|1,0,1]=4 4275 B16R1.1145 C/C=C(\C)/C(=O)COC(=O)c1ccccc1 1458a_100020587367_100000073877 [0,1,0,0,0,1|1,0,1]=4 4276 B16R1.1145 CCC(C)C(=O)CCC(=O)c1ccccc1 1458a_100011192722_100000750707 [0,1,0,0,0,1|1,0,0]=3 4277 B16R1.1145 CCC(C)C(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000758301 [0,1,0,0,0,1|1,0,0]=3 4278 B16R1.1145 CCC(C)C(=O)CNC(=O)c1cccnc1 1458a_100000688122_100000758301 [0,1,0,0,0,1|2,0,0]=4 4279 B16R1.1145 CCC(C)C(=O)COC(=O)c1ccccc1 1458a_100011192722_100000073877 [0,1,0,0,0,1|1,0,0]=3 4280 B16R1.1145 CCC(C)C(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000758301 [0,1,0,0,0,1|1,1,0]=4 4281 B16R1.1145 CCC(C)C(=O)NNC(=O)c1ccccc1 22a_100000184135_100011192722 [0,1,0,0,0,1|2,0,0]=4 4282 B16R1.1145 CCC(C)C(=O)NNC(=O)c1ccccc1 22a_100000740736_100000185807 [0,1,0,0,0,1|2,0,0]=4 4283 B16R1.1145 CCC(O)C(=O)CCC(=O)c1ccccc1 1458a_100011196387_100000750707 [0,1,0,0,0,1|1,0,0]=3 4284 B16R1.1145 CCC(O)C(=O)COC(=O)c1ccccc1 1458a_100011196387_100000073877 [0,1,0,0,0,1|1,0,0]=3 4285 B16R1.1145 CCC(O)C(=O)NNC(=O)c1ccccc1 22a_100000184135_100011196387 [0,1,0,0,0,1|2,0,0]=4 4286 B16R1.1145 CCN(C)C(=O)CNC(=O)c1ccccc1 11a_100000225621_100000182045 [0,1,0,0,0,1|1,0,0]=3 4287 B16R1.1145 CCN(C)C(=O)CNC(=O)c1ccccc1 1626a_100000225621_100000182045 [0,1,0,0,0,1|1,0,0]=3 4288 B16R1.1145 CCN(C)C(=O)CNC(=O)c1ccccc1 240690a_100000225621_100000182045 [0,1,0,0,0,1|1,0,0]=3 4289 B16R1.1145 CCN(C)C(=O)CNC(=O)c1ccccc1 527a_100000225621_100000182045 [0,1,0,0,0,1|1,0,0]=3 4290 B16R1.1145 CCN(C)C(=O)CNC(=O)c1cccnc1 11a_100000225621_100000688122 [0,1,0,0,0,1|2,0,0]=4 4291 B16R1.1145 CCN(C)C(=O)CNC(=O)c1cccnc1 240690a_100000225621_100000688122 [0,1,0,0,0,1|2,0,0]=4 4292 B16R1.1145 CCN(C)C(=O)CNC(=O)c1cccnc1 527a_100000225621_100000688122 [0,1,0,0,0,1|2,0,0]=4 4293 B16R1.1145 CCN(C)C(=O)CSC(=S)c1ccccc1 1626a_100000225621_100000043459 [0,1,0,0,0,1|1,1,0]=4 4294 B16R1.1145 CCN(C)C(=O)CSC(=S)c1ccccc1 240690a_100000225621_100000043459 [0,1,0,0,0,1|1,1,0]=4 4295 B16R1.1145 CCN(C)C(=O)CSC(=S)c1ccccc1 527a_100000225621_100000043459 [0,1,0,0,0,1|1,1,0]=4 4296 B16R1.1145 CNC(=O)C(=O)CCC(=O)c1ccccc1 1458a_100011218921_100000750707 [0,1,0,0,0,1|2,0,0]=4 4297 B16R1.1145 CNC(=O)C(=O)COC(=O)c1ccccc1 1458a_100011218921_100000073877 [0,1,0,0,0,1|2,0,0]=4 4298 B16R1.1145 COC(C)C(=O)CCC(=O)c1ccccc1 1458a_100000743197_100000750707 [0,1,0,0,0,1|2,0,0]=4 4299 B16R1.1145 COC(C)C(=O)COC(=O)c1ccccc1 1458a_100000743197_100000073877 [0,1,0,0,0,1|2,0,0]=4 4300 B16R1.1145 CON(C)C(=O)CNC(=O)c1ccccc1 11a_100015207273_100000185807 [0,1,0,0,0,1|2,0,0]=4 4301 B16R1.1145 CON(C)C(=O)CNC(=O)c1ccccc1 527a_100015207273_100000185807 [0,1,0,0,0,1|2,0,0]=4 4302 B16R1.1145 CSC(C)C(=O)CCC(=O)c1ccccc1 1458a_100000149566_100000750707 [0,1,0,0,0,1|2,0,0]=4 4303 B16R1.1145 CSC(C)C(=O)COC(=O)c1ccccc1 1458a_100000149566_100000073877 [0,1,0,0,0,1|2,0,0]=4 4304 B16R1.1145 O=C(CCC(=O)C(O)CO)c1ccccc1 1458a_100011215603_100000750707 [0,1,0,0,0,1|2,0,0]=4 4305 B16R1.1145 O=C(OCC(=O)C(O)CO)c1ccccc1 1458a_100011215603_100000073877 [0,1,0,0,0,1|2,0,0]=4 4306 B16R1.1553 CCCC(=O)CCS(=O)(=O)c1ccccc1 1458a_100000183054_100000210303 [0,1,0,0,0,1|2,0,0]=4 4307 B16R1.1553 CCCC(=O)CCS(=O)(=O)c1ccccc1 1458a_100000211992_100000229977 [0,1,0,0,0,1|2,0,0]=4 4308 B16R1.1553 CCCC(=O)CNS(=O)(=O)c1ccccc1 1458a_100000165737_100000210303 [0,1,0,0,0,1|2,0,0]=4 4309 B16R1.1553 CCNC(=O)CCS(=O)(=O)c1ccccc1 11a_100015525214_100000183054 [0,1,0,0,0,1|2,0,0]=4 4310 B16R1.1553 CCNC(=O)CCS(=O)(=O)c1ccccc1 240690a_100015525214_100000183054 [0,1,0,0,0,1|2,0,0]=4 4311 B16R1.1553 CCNC(=O)CNS(=O)(=O)c1ccccc1 240690a_100015525214_100000165737 [0,1,0,0,0,1|2,0,0]=4 4312 B16R1.1553 CCNC(=O)CNS(=O)(=O)c1ccccc1 270084a_100016988866_100000210345 [0,1,0,0,0,1|2,0,0]=4 4313 B16R1.1553 CCNC(=O)CNS(=O)(=O)c1ccccc1 274078a_100016988866_100000210345 [0,1,0,0,0,1|2,0,0]=4 4314 B16R1.1553 CCNC(=O)CNS(=O)(=O)c1ccccc1 40a_100016988866_100000032697 [0,1,0,0,0,1|2,0,0]=4 4315 B16R1.1553 CCOC(=O)CNC(C)(C)c1ccccc1 2230a_100011218174_100000188475 [0,1,0,0,0,1|1,0,1]=4 4316 B16R1.1553 CCOC(=O)COC(C)(C)c1ccccc1 7a_100000694644_100000188475 [0,1,0,0,0,1|1,0,1]=4 4317 B16R1.1553 CCOC(=O)CSC(C)(C)c1ccccc1 62a_100000034625_100000188475 [0,1,0,0,0,1|1,0,1]=4 4318 B16R1.1553 CCOC(=O)CSC(C)(C)c1ccccc1 62a_100000188475_100000034625 [0,1,0,0,0,1|1,0,1]=4 4319 B16R1.1553 CCOC(=O)CSC(F)(F)c1ccccc1 62a_100000188475_100000036403 [0,1,0,0,0,1|1,0,1]=4 4320 B16R1.1582 CCOC(CC)CNC(=O)c1ccccc1 11a_100015183923_100000185807 [0,1,0,0,0,1|1,0,1]=4 4321 B16R1.1582 CCOC(CC)CNC(=O)c1ccccc1 1626a_100015183923_100000185807 [0,1,0,0,0,1|1,0,1]=4 4322 B16R1.1582 CCOC(CC)CNC(=O)c1ccccc1 240690a_100015183923_100000185807 [0,1,0,0,0,1|1,0,1]=4 4323 B16R1.1582 CCOC(CC)CNC(=O)c1ccccc1 527a_100015183923_100000185807 [0,1,0,0,0,1|1,0,1]=4 4324 B16R1.5624 CC#CC(=O)CCC(=O)c1ccccc1F 1458a_100000763181_100000086012 [0,1,0,0,0,1|1,0,1]=4 4325 B16R1.5624 CC=CC(=O)CCC(=O)c1ccccc1F 1458a_100000210699_100000086012 [0,1,0,0,0,1|1,0,1]=4 4326 B16R1.5624 CCCC(=O)CCC(=O)c1ccccc1F 1458a_100000211992_100000086012 [0,1,0,0,0,1|1,0,0]=3 4327 B16R1.5624 CCCC(=O)CNC(=O)c1ccccc1C 1458a_100000184812_100000210303 [0,1,0,0,0,1|1,0,0]=3 4328 B16R1.5624 CCCC(=O)CNC(=O)c1ccccc1Cl 1458a_100000182550_100000210303 [0,1,0,0,0,1|1,0,0]=3 4329 B16R1.5624 CCCC(=O)CNC(=O)c1ccccc1F 1458a_100000182453_100000210303 [0,1,0,0,0,1|1,0,0]=3 4330 B16R1.5624 CCCC(=O)CNC(=O)c1ccccc1I 1458a_100000194700_100000210303 [0,1,0,0,0,1|1,0,0]=3 4331 B16R1.5624 CCCC(=O)CNC(=O)c1ccccc1O 1458a_100011193979_100000210303 [0,1,0,0,0,1|1,0,0]=3 4332 B16R1.5624 CCCC(=O)NNC(=O)c1ccccc1Br 22a_100000183644_100000211992 [0,1,0,0,0,1|2,0,0]=4 4333 B16R1.5624 CCCC(=O)NNC(=O)c1ccccc1Br 22a_100000189770_100000188424 [0,1,0,0,0,1|2,0,0]=4 4334 B16R1.5624 CCCC(=O)NNC(=O)c1ccccc1C 22a_100000181371_100000211992 [0,1,0,0,0,1|2,0,0]=4 4335 B16R1.5624 CCCC(=O)NNC(=O)c1ccccc1C 22a_100000189770_100000212026 [0,1,0,0,0,1|2,0,0]=4 4336 B16R1.5624 CCCC(=O)NNC(=O)c1ccccc1Cl 22a_100000186534_100000211992 [0,1,0,0,0,1|2,0,0]=4 4337 B16R1.5624 CCCC(=O)NNC(=O)c1ccccc1Cl 22a_100000189770_100000185844 [0,1,0,0,0,1|2,0,0]=4 4338 B16R1.5624 CCCC(=O)NNC(=O)c1ccccc1F 22a_100000183521_100000211992 [0,1,0,0,0,1|2,0,0]=4 4339 B16R1.5624 CCCC(=O)NNC(=O)c1ccccc1F 22a_100000189770_100000188656 [0,1,0,0,0,1|2,0,0]=4 4340 B16R1.5624 CCCC(=O)NNC(=O)c1ccccc1I 22a_100000189770_100000187884 [0,1,0,0,0,1|2,0,0]=4 4341 B16R1.5624 CCCC(=O)NNC(=O)c1ccccc1I 22a_100000190081_100000211992 [0,1,0,0,0,1|2,0,0]=4 4342 B16R1.5624 CCCC(=O)NNC(=O)c1ccccc1O 22a_100000189770_100015234032 [0,1,0,0,0,1|2,0,0]=4 4343 B16R1.5624 CCCC(=O)NNC(=O)c1ccccc1[O-] 22a_100000189770_100009911694 [0,1,0,0,0,1|2,0,0]=4 4344 B16R1.5624 CCCC(=O)OCC(=O)c1ccccc1Br 1458a_100000188424_100000034017 [0,1,0,0,0,1|1,0,0]=3 4345 B16R1.5624 CCCC(=O)OCC(=O)c1ccccc1C 1458a_100000212026_100000034017 [0,1,0,0,0,1|1,0,0]=3 4346 B16R1.5624 CCCC(=O)OCC(=O)c1ccccc1Cl 1458a_100000185844_100000034017 [0,1,0,0,0,1|1,0,0]=3 4347 B16R1.5624 CCCC(=O)OCC(=O)c1ccccc1F 1458a_100000188656_100000034017 [0,1,0,0,0,1|1,0,0]=3 4348 B16R1.5624 CCCC(=O)OCC(=O)c1ccccc1I 1458a_100000187884_100000034017 [0,1,0,0,0,1|1,0,0]=3 4349 B16R1.5624 CCCC(=O)OCC(=O)c1ccccc1O 1458a_100015234032_100000034017 [0,1,0,0,0,1|1,0,0]=3 4350 B16R1.5624 CCCC(=O)OCC(=O)c1ccccc1[O-] 1458a_100009911694_100000034017 [0,1,0,0,0,1|1,0,0]=3 4351 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1Br 11a_100016988866_100000188424 [0,1,0,0,0,1|1,0,0]=3 4352 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1Br 1626a_100016988866_100000188424 [0,1,0,0,0,1|1,0,0]=3 4353 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1Br 240690a_100016988866_100000188424 [0,1,0,0,0,1|1,0,0]=3 4354 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1Br 527a_100016988866_100000188424 [0,1,0,0,0,1|1,0,0]=3 4355 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1C 11a_100015525214_100000184812 [0,1,0,0,0,1|1,0,0]=3 4356 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1C 11a_100016988866_100000212026 [0,1,0,0,0,1|1,0,0]=3 4357 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1C 1626a_100016988866_100000212026 [0,1,0,0,0,1|1,0,0]=3 4358 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1C 240690a_100015525214_100000184812 [0,1,0,0,0,1|1,0,0]=3 4359 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1C 240690a_100016988866_100000212026 [0,1,0,0,0,1|1,0,0]=3 4360 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1C 527a_100015525214_100000184812 [0,1,0,0,0,1|1,0,0]=3 4361 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1C 527a_100016988866_100000212026 [0,1,0,0,0,1|1,0,0]=3 4362 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1Cl 11a_100016988866_100000185844 [0,1,0,0,0,1|1,0,0]=3 4363 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1Cl 1626a_100016988866_100000185844 [0,1,0,0,0,1|1,0,0]=3 4364 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1Cl 240690a_100015525214_100000182550 [0,1,0,0,0,1|1,0,0]=3 4365 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1Cl 240690a_100016988866_100000185844 [0,1,0,0,0,1|1,0,0]=3 4366 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1Cl 527a_100015525214_100000182550 [0,1,0,0,0,1|1,0,0]=3 4367 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1Cl 527a_100016988866_100000185844 [0,1,0,0,0,1|1,0,0]=3 4368 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1F 11a_100015525214_100000182453 [0,1,0,0,0,1|1,0,0]=3 4369 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1F 11a_100016988866_100000188656 [0,1,0,0,0,1|1,0,0]=3 4370 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1F 1626a_100016988866_100000188656 [0,1,0,0,0,1|1,0,0]=3 4371 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1F 240690a_100015525214_100000182453 [0,1,0,0,0,1|1,0,0]=3 4372 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1F 240690a_100016988866_100000188656 [0,1,0,0,0,1|1,0,0]=3 4373 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1F 527a_100015525214_100000182453 [0,1,0,0,0,1|1,0,0]=3 4374 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1F 527a_100016988866_100000188656 [0,1,0,0,0,1|1,0,0]=3 4375 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1I 11a_100016988866_100000187884 [0,1,0,0,0,1|1,0,0]=3 4376 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1I 1626a_100016988866_100000187884 [0,1,0,0,0,1|1,0,0]=3 4377 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1I 240690a_100015525214_100000194700 [0,1,0,0,0,1|1,0,0]=3 4378 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1I 240690a_100016988866_100000187884 [0,1,0,0,0,1|1,0,0]=3 4379 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1I 527a_100015525214_100000194700 [0,1,0,0,0,1|1,0,0]=3 4380 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1I 527a_100016988866_100000187884 [0,1,0,0,0,1|1,0,0]=3 4381 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1O 240690a_100015525214_100011193979 [0,1,0,0,0,1|1,0,0]=3 4382 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1O 240690a_100016988866_100015234032 [0,1,0,0,0,1|1,0,0]=3 4383 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1O 527a_100015525214_100011193979 [0,1,0,0,0,1|1,0,0]=3 4384 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1[O-] 1626a_100016988866_100009911694 [0,1,0,0,0,1|1,0,0]=3 4385 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1[O-] 240690a_100016988866_100009911694 [0,1,0,0,0,1|1,0,0]=3 4386 B16R1.5624 CCNC(=O)CNC(=O)c1ccccc1[O-] 527a_100016988866_100009911694 [0,1,0,0,0,1|1,0,0]=3 4387 B16R1.5624 CCNC(=O)NNC(=O)c1ccccc1Br 273464a_100015525214_100000183644 [0,1,0,0,0,1|2,0,0]=4 4388 B16R1.5624 CCNC(=O)NNC(=O)c1ccccc1Br 512a_100015525214_100000183644 [0,1,0,0,0,1|2,0,0]=4 4389 B16R1.5624 CCNC(=O)NNC(=O)c1ccccc1C 273464a_100015525214_100000181371 [0,1,0,0,0,1|2,0,0]=4 4390 B16R1.5624 CCNC(=O)NNC(=O)c1ccccc1C 512a_100000181371_100015525214 [0,1,0,0,0,1|2,0,0]=4 4391 B16R1.5624 CCNC(=O)NNC(=O)c1ccccc1C 512a_100015525214_100000181371 [0,1,0,0,0,1|2,0,0]=4 4392 B16R1.5624 CCNC(=O)NNC(=O)c1ccccc1Cl 273464a_100015525214_100000186534 [0,1,0,0,0,1|2,0,0]=4 4393 B16R1.5624 CCNC(=O)NNC(=O)c1ccccc1F 273464a_100015525214_100000183521 [0,1,0,0,0,1|2,0,0]=4 4394 B16R1.5624 CCNC(=O)NNC(=O)c1ccccc1I 273464a_100015525214_100000190081 [0,1,0,0,0,1|2,0,0]=4 4395 B16R1.5624 CCOC(=O)CCN(C)c1ccccc1Br 2230a_100020606079_100011206558 [0,1,0,0,0,1|2,0,0]=4 4396 B16R1.5624 CCOC(=O)CCN(C)c1ccccc1Br 269982a_100020606079_100011206558 [0,1,0,0,0,1|2,0,0]=4 4397 B16R1.5624 CCOC(=O)CCN(C)c1ccccc1Br 34a_100020606079_100000765890 [0,1,0,0,0,1|2,0,0]=4 4398 B16R1.5624 CCOC(=O)CCN(C)c1ccccc1C 2230a_100000219699_100011206558 [0,1,0,0,0,1|2,0,0]=4 4399 B16R1.5624 CCOC(=O)CCN(C)c1ccccc1C 269982a_100000219699_100011206558 [0,1,0,0,0,1|2,0,0]=4 4400 B16R1.5624 CCOC(=O)CCN(C)c1ccccc1C 34a_100000219699_100000765890 [0,1,0,0,0,1|2,0,0]=4 4401 B16R1.5624 CCOC(=O)CCN(C)c1ccccc1Cl 2230a_100000219374_100011206558 [0,1,0,0,0,1|2,0,0]=4 4402 B16R1.5624 CCOC(=O)CCN(C)c1ccccc1Cl 269982a_100000219374_100011206558 [0,1,0,0,0,1|2,0,0]=4 4403 B16R1.5624 CCOC(=O)CCN(C)c1ccccc1Cl 34a_100000219374_100000765890 [0,1,0,0,0,1|2,0,0]=4 4404 B16R1.5624 CCOC(=O)CCN(C)c1ccccc1F 2230a_100000220357_100011206558 [0,1,0,0,0,1|2,0,0]=4 4405 B16R1.5624 CCOC(=O)CCN(C)c1ccccc1F 269982a_100000220357_100011206558 [0,1,0,0,0,1|2,0,0]=4 4406 B16R1.5624 CCOC(=O)CCN(C)c1ccccc1F 34a_100000220357_100000765890 [0,1,0,0,0,1|2,0,0]=4 4407 B16R1.5624 CCOC(=O)CCN(C)c1ccccc1F 38a_100000220357_100000765890 [0,1,0,0,0,1|2,0,0]=4 4408 B16R1.5624 CCOC(=O)CCN(C)c1ccccc1O 269982a_100000033821_100011206558 [0,1,0,0,0,1|2,0,0]=4 4409 B16R1.5624 CCOC(=O)CNC(=O)c1ccccc1Br 188690a_100000741813_100000188424 [0,1,0,0,0,1|0,0,0]=2 4410 B16R1.5624 CCOC(=O)CNC(=O)c1ccccc1C 188690a_100000741813_100000212026 [0,1,0,0,0,1|0,0,0]=2 4411 B16R1.5624 CCOC(=O)CNC(=O)c1ccccc1Cl 188690a_100000741813_100000185844 [0,1,0,0,0,1|0,0,0]=2 4412 B16R1.5624 CCOC(=O)CNC(=O)c1ccccc1I 188690a_100000741813_100000187884 [0,1,0,0,0,1|0,0,0]=2 4413 B16R1.5624 CCOC(=O)CNC(=O)c1ccccc1O 188690a_100000741813_100015234032 [0,1,0,0,0,1|0,0,0]=2 4414 B16R1.5624 CCOC(=O)CNC(=O)c1ccccc1[O-] 188690a_100000741813_100009911694 [0,1,0,0,0,1|0,0,0]=2 4415 B16R1.5624 CCOC(=O)CNC(C)c1ccccc1Br 2230a_100000181357_100000188475 [0,1,0,0,0,1|1,0,1]=4 4416 B16R1.5624 CCOC(=O)CNC(C)c1ccccc1C 2230a_100000181355_100000188475 [0,1,0,0,0,1|1,0,1]=4 4417 B16R1.5624 CCOC(=O)CNC(C)c1ccccc1C 34a_100000181355_100000188475 [0,1,0,0,0,1|1,0,1]=4 4418 B16R1.5624 CCOC(=O)CNC(C)c1ccccc1Cl 2230a_100000174978_100000188475 [0,1,0,0,0,1|1,0,1]=4 4419 B16R1.5624 CCOC(=O)CNC(C)c1ccccc1Cl 34a_100000174978_100000188475 [0,1,0,0,0,1|1,0,1]=4 4420 B16R1.5624 CCOC(=O)CNC(C)c1ccccc1F 2230a_100000181408_100000188475 [0,1,0,0,0,1|1,0,1]=4 4421 B16R1.5624 CCOC(=O)CNC(C)c1ccccc1F 34a_100000181408_100000188475 [0,1,0,0,0,1|1,0,1]=4 4422 B16R1.5624 CCOC(=O)CN[C@H](C)c1ccccc1O 2230a_100025703389_100000188475 [0,1,0,0,0,1|1,0,1]=4 4423 B16R1.5624 CCOC(=O)COC(C)c1ccccc1Br 34a_100000702211_100000188475 [0,1,0,0,0,1|1,0,1]=4 4424 B16R1.5624 CCOC(=O)COC(C)c1ccccc1Br 7a_100000702211_100000188475 [0,1,0,0,0,1|1,0,1]=4 4425 B16R1.5624 CCOC(=O)COC(C)c1ccccc1C 34a_100000742021_100000188475 [0,1,0,0,0,1|1,0,1]=4 4426 B16R1.5624 CCOC(=O)COC(C)c1ccccc1C 7a_100000742021_100000188475 [0,1,0,0,0,1|1,0,1]=4 4427 B16R1.5624 CCOC(=O)COC(C)c1ccccc1Cl 34a_100000740796_100000188475 [0,1,0,0,0,1|1,0,1]=4 4428 B16R1.5624 CCOC(=O)COC(C)c1ccccc1Cl 7a_100000740796_100000188475 [0,1,0,0,0,1|1,0,1]=4 4429 B16R1.5624 CCOC(=O)COC(C)c1ccccc1F 34a_100000697922_100000188475 [0,1,0,0,0,1|1,0,1]=4 4430 B16R1.5624 CCOC(=O)COC(C)c1ccccc1F 7a_100000697922_100000188475 [0,1,0,0,0,1|1,0,1]=4 4431 B16R1.5624 CCOC(=O)COC(C)c1ccccc1N 7a_100011405641_100000188475 [0,1,0,0,0,1|1,0,1]=4 4432 B16R1.5624 CCOC(=O)CSC(C)c1ccccc1Cl 62a_100000181259_100000188475 [0,1,0,0,0,1|1,0,1]=4 4433 B16R1.5624 CCOC(=O)CSC(C)c1ccccc1Cl 62a_100000188475_100000181259 [0,1,0,0,0,1|1,0,1]=4 4434 B16R1.5624 CCOC(=O)CSC(C)c1ccccc1F 62a_100000188475_200000741388 [0,1,0,0,0,1|1,0,1]=4 4435 B16R1.5624 CCOC(=O)CSC(C)c1ccccc1F 62a_200000741388_100000188475 [0,1,0,0,0,1|1,0,1]=4 4436 B16R1.5624 CNNC(=O)CNC(=O)c1ccccc1C 22a_100016993582_100000184812 [0,1,0,0,0,1|2,0,0]=4 4437 B16R1.5624 CNNC(=O)CNC(=O)c1ccccc1Cl 22a_100016993582_100000182550 [0,1,0,0,0,1|2,0,0]=4 4438 B16R1.5624 CNNC(=O)CNC(=O)c1ccccc1F 22a_100016993582_100000182453 [0,1,0,0,0,1|2,0,0]=4 4439 B16R1.5624 CNNC(=O)CNC(=O)c1ccccc1I 22a_100016993582_100000194700 [0,1,0,0,0,1|2,0,0]=4 4440 B16R1.5624 CNNC(=O)CNC(=O)c1ccccc1O 22a_100016993582_100011193979 [0,1,0,0,0,1|2,0,0]=4 4441 B16R1.5624 COCC(=O)CCC(=O)c1ccccc1F 1458a_100000210968_100000086012 [0,1,0,0,0,1|2,0,0]=4 4442 B16R1.5624 CSCC(=O)CCC(=O)c1ccccc1F 1458a_100000184570_100000086012 [0,1,0,0,0,1|2,0,0]=4 4443 B16R1.5624 Cc1ccccc1C(=O)NCC(=O)CCF 1458a_100000184812_100011217306 [0,1,0,0,0,1|2,0,0]=4 4444 B16R1.5624 Cc1ccccc1C(=O)NCC(=O)CCO 1458a_100000184812_100000211926 [0,1,0,0,0,1|2,0,0]=4 4445 B16R1.5624 O=C(CCF)CNC(=O)c1ccccc1Cl 1458a_100000182550_100011217306 [0,1,0,0,0,1|2,0,0]=4 4446 B16R1.5624 O=C(CCF)CNC(=O)c1ccccc1F 1458a_100000182453_100011217306 [0,1,0,0,0,1|2,0,0]=4 4447 B16R1.5624 O=C(CCF)CNC(=O)c1ccccc1I 1458a_100000194700_100011217306 [0,1,0,0,0,1|2,0,0]=4 4448 B16R1.5624 O=C(CCF)CNC(=O)c1ccccc1O 1458a_100011193979_100011217306 [0,1,0,0,0,1|2,0,0]=4 4449 B16R1.5624 O=C(CCO)CCC(=O)c1ccccc1F 1458a_100011216618_100000086012 [0,1,0,0,0,1|2,0,0]=4 4450 B16R1.5624 O=C(CCO)CNC(=O)c1ccccc1Cl 1458a_100000182550_100000211926 [0,1,0,0,0,1|2,0,0]=4 4451 B16R1.5624 O=C(CCO)CNC(=O)c1ccccc1F 1458a_100000182453_100000211926 [0,1,0,0,0,1|2,0,0]=4 4452 B16R1.5624 O=C(CCO)CNC(=O)c1ccccc1I 1458a_100000194700_100000211926 [0,1,0,0,0,1|2,0,0]=4 4453 B16R1.5624 O=C(CCO)CNC(=O)c1ccccc1O 1458a_100011193979_100000211926 [0,1,0,0,0,1|2,0,0]=4 4454 B16R1.13666 C#CC(OCC(=O)OCC)c1ccccc1 34a_100011219616_100000188475 [0,1,0,0,0,1|1,0,1]=4 4455 B16R1.13666 C#CC(OCC(=O)OCC)c1ccccc1 7a_100011219616_100000188475 [0,1,0,0,0,1|1,0,1]=4 4456 B16R1.13666 C=CC(OCC(=O)OCC)c1ccccc1 34a_100011215659_100000188475 [0,1,0,0,0,1|1,0,1]=4 4457 B16R1.13666 C=CC(OCC(=O)OCC)c1ccccc1 7a_100011215659_100000188475 [0,1,0,0,0,1|1,0,1]=4 4458 B16R1.13666 C=CC(SCC(=O)OCC)c1ccccc1 62a_100000188475_200000085779 [0,1,0,0,0,1|1,0,1]=4 4459 B16R1.13666 C=CC(SCC(=O)OCC)c1ccccc1 62a_200000085779_100000188475 [0,1,0,0,0,1|1,0,1]=4 4460 B16R1.13666 CCOC(=O)CCN(CC)c1ccccc1 2230a_100000210013_100011206558 [0,1,0,0,0,1|2,0,0]=4 4461 B16R1.13666 CCOC(=O)CCN(CC)c1ccccc1 269982a_100000210013_100011206558 [0,1,0,0,0,1|2,0,0]=4 4462 B16R1.13666 CCOC(=O)CCN(CC)c1ccccc1 269982a_200011277725_100000204670 [0,1,0,0,0,1|2,0,0]=4 4463 B16R1.13666 CCOC(=O)CCN(CC)c1ccccc1 34a_100000210013_100000765890 [0,1,0,0,0,1|2,0,0]=4 4464 B16R1.13666 CCOC(=O)CCN(CF)c1ccccc1 269982a_200011277725_100015361967 [0,1,0,0,0,1|2,0,0]=4 4465 B16R1.13666 CCOC(=O)CNC(CC)c1ccccc1 2230a_100000737752_100000188475 [0,1,0,0,0,1|1,0,1]=4 4466 B16R1.13666 CCOC(=O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000188475 [0,1,0,0,0,1|0,0,2]=4 4467 B16R1.13666 CCOC(=O)CN[C@H](CO)c1ccccc1 34a_100000751927_100000188475 [0,1,0,0,0,1|0,0,2]=4 4468 B16R1.13666 CCOC(=O)COC(C#N)c1ccccc1 7a_100011217353_100000188475 [0,1,0,0,0,1|1,0,1]=4 4469 B16R1.13666 CCOC(=O)COC(CBr)c1ccccc1 7a_100000185958_100000188475 [0,1,0,0,0,1|1,0,1]=4 4470 B16R1.13666 CCOC(=O)COC(CC)c1ccccc1 34a_100000698172_100000188475 [0,1,0,0,0,1|1,0,1]=4 4471 B16R1.13666 CCOC(=O)COC(CC)c1ccccc1 7a_100000698172_100000188475 [0,1,0,0,0,1|1,0,1]=4 4472 B16R1.13666 CCOC(=O)COC(CN)c1ccccc1 34a_100000210709_100000188475 [0,1,0,0,0,1|1,0,1]=4 4473 B16R1.13666 CCOC(=O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000188475 [0,1,0,0,0,1|1,0,1]=4 4474 B16R1.13666 CCOC(=O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000188475 [0,1,0,0,0,1|1,0,1]=4 4475 B16R1.936 CCOC(=O)CN(CC)Cc1ccccc1 2230a_100000186914_100000188475 [0,1,0,0,0,1|2,0,0]=4 4476 B16R1.936 CCOC(=O)CN(CC)Cc1ccccc1 2230a_100000219878_100000210202 [0,1,0,0,0,1|2,0,0]=4 4477 B16R1.936 CCOC(=O)CN(CC)Cc1ccccc1 2230a_100000220607_100015291786 [0,1,0,0,0,1|2,0,0]=4 4478 B16R1.936 CCOC(=O)CN(CC)Cc1ccccc1 269982a_100000186914_100000188475 [0,1,0,0,0,1|2,0,0]=4 4479 B16R1.936 CCOC(=O)CN(CC)Cc1ccccc1 269982a_100000219878_100000204670 [0,1,0,0,0,1|2,0,0]=4 4480 B16R1.936 CCOC(=O)CN(CC)Cc1ccccc1 269982a_100000220607_100000211182 [0,1,0,0,0,1|2,0,0]=4 4481 B16R1.936 CCOC(=O)CN(CC)Cc1ccccc1 270004a_100000220607_100015611070 [0,1,0,0,0,1|2,0,0]=4 4482 B16R1.936 CCOC(=O)CN(CF)Cc1ccccc1 269982a_100000219878_100015361967 [0,1,0,0,0,1|2,0,0]=4 4483 B16R1.945 CC#CC(=O)C(C)C(=O)Nc1ccccc1 1458a_100000763181_100000183986 [0,1,0,0,0,1|1,0,1]=4 4484 B16R1.945 CC(C(=O)CCF)C(=O)Nc1ccccc1 1458a_100012277477_100011217306 [0,1,0,0,0,1|2,0,0]=4 4485 B16R1.945 CC(C(=O)CCO)C(=O)Nc1ccccc1 1458a_100011216618_100000183986 [0,1,0,0,0,1|2,0,0]=4 4486 B16R1.945 CC(C(=O)CCO)C(=O)Nc1ccccc1 1458a_100012277477_100000211926 [0,1,0,0,0,1|2,0,0]=4 4487 B16R1.945 CC=CC(=O)C(C)C(=O)Nc1ccccc1 1458a_100000210699_100000183986 [0,1,0,0,0,1|1,0,1]=4 4488 B16R1.945 CCCC(=O)C(C)C(=O)Nc1ccccc1 1458a_100000211992_100000183986 [0,1,0,0,0,1|1,0,0]=3 4489 B16R1.945 CCCC(=O)C(C)C(=O)Nc1ccccc1 1458a_100012277477_100000210303 [0,1,0,0,0,1|1,0,0]=3 4490 B16R1.945 CCCC(=O)C(C)C(=O)Nc1ccccn1 1458a_100000211992_100015185774 [0,1,0,0,0,1|2,0,0]=4 4491 B16R1.945 CCNC(=O)C(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100000230173 [0,1,0,0,0,1|2,0,0]=4 4492 B16R1.945 CCNC(=O)C(C)C(=O)Cc1ccccn1 1458a_100000233486_100000230173 [0,1,0,0,0,1|2,0,0]=4 4493 B16R1.945 CCNC(=O)C(C)C(=O)Cc1cccnc1 1458a_100000737805_100000230173 [0,1,0,0,0,1|2,0,0]=4 4494 B16R1.945 CCNC(=O)C(C)C(=O)Nc1ccccc1 11a_100015525214_100012277477 [0,1,0,0,0,1|1,0,0]=3 4495 B16R1.945 CCNC(=O)C(C)C(=O)Nc1ccccc1 240690a_100015525214_100012277477 [0,1,0,0,0,1|1,0,0]=3 4496 B16R1.945 CCNC(=O)C(C)C(=O)Nc1ccccc1 527a_100015525214_100012277477 [0,1,0,0,0,1|1,0,0]=3 4497 B16R1.945 CCOC(=O)C(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100011216346 [0,1,0,0,0,1|1,0,0]=3 4498 B16R1.945 CCOC(=O)C(C)C(=O)Cc1ccccc1 1458a_100132301724_100015291786 [0,1,0,0,0,1|0,0,0]=2 4499 B16R1.945 CCOC(=O)C(C)C(=O)Cc1ccccn1 1458a_100000233486_100011216346 [0,1,0,0,0,1|1,0,0]=3 4500 B16R1.945 CCOC(=O)C(C)C(=O)Cc1ccccn1 1458a_100132301724_100000721315 [0,1,0,0,0,1|1,0,0]=3 4501 B16R1.945 CCOC(=O)C(C)C(=O)Cc1cccnc1 1458a_100000737805_100011216346 [0,1,0,0,0,1|1,0,0]=3 4502 B16R1.945 CCOC(=O)C(C)C(=O)Cc1cccnc1 1458a_100132301724_100000733263 [0,1,0,0,0,1|1,0,0]=3 4503 B16R1.945 CCOC(=O)C(C)C(=O)Cc1cccnn1 1458a_100132301724_100016990269 [0,1,0,0,0,1|2,0,0]=4 4504 B16R1.945 CCOC(=O)C(C)C(=O)Cc1ccncc1 1458a_100132301724_100000705612 [0,1,0,0,0,1|1,0,0]=3 4505 B16R1.945 CCOC(=O)C(C)C(=O)Cc1cnccn1 1458a_100132301724_100016995436 [0,1,0,0,0,1|2,0,0]=4 4506 B16R1.945 CCOC(=O)C(C)C(=O)Cc1cncnc1 1458a_100000721575_100011216346 [0,1,0,0,0,1|2,0,0]=4 4507 B16R1.945 CCOC(=O)C(C)C(=O)Cc1cncnc1 1458a_100132301724_100015196519 [0,1,0,0,0,1|2,0,0]=4 4508 B16R1.945 CCOC(=O)C(C)C(=O)Cc1ncccn1 1458a_100132301724_100000703007 [0,1,0,0,0,1|2,0,0]=4 4509 B16R1.945 CCOC(=O)C(C)C(=O)Nc1ccccc1 11a_100000106764_100132301724 [0,1,0,0,0,1|0,0,0]=2 4510 B16R1.945 CCOC(=O)C(C)C(=O)Nc1ccccc1 1626a_100000106764_100132301724 [0,1,0,0,0,1|0,0,0]=2 4511 B16R1.945 CCOC(=O)C(C)C(=O)Nc1ccccc1 22a_100000106764_100132301724 [0,1,0,0,0,1|0,0,0]=2 4512 B16R1.945 CCOC(=O)C(C)C(=O)Nc1ccccc1 527a_100000106764_100132301724 [0,1,0,0,0,1|0,0,0]=2 4513 B16R1.945 CCOC(=O)C(C)N(C)Cc1ccccc1 2230a_100000186898_100011215307 [0,1,0,0,0,1|2,0,0]=4 4514 B16R1.945 CCOC(=O)C(C)N(C)Cc1ccccc1 269982a_100000186898_100011216346 [0,1,0,0,0,1|2,0,0]=4 4515 B16R1.945 CCOC(=O)C(F)C(=O)C[n+]1ccccc1 1458a_200000086051_100000760018 [0,1,0,0,0,1|1,0,0]=3 4516 B16R1.945 CCOC(=O)C(F)C(=O)Cc1ccccn1 1458a_100000233486_100000760018 [0,1,0,0,0,1|1,0,0]=3 4517 B16R1.945 CCOC(=O)C(F)C(=O)Cc1cccnc1 1458a_100000737805_100000760018 [0,1,0,0,0,1|1,0,0]=3 4518 B16R1.945 CCOC(=O)C(F)C(=O)Cc1cncnc1 1458a_100000721575_100000760018 [0,1,0,0,0,1|2,0,0]=4 4519 B16R1.945 CCOC(=O)C(F)N(C)Cc1ccccc1 2230a_100000186898_100000760018 [0,1,0,0,0,1|2,0,0]=4 4520 B16R1.945 CCOC(=O)C(F)N(C)Cc1ccccc1 269982a_100000186898_100000760018 [0,1,0,0,0,1|2,0,0]=4 4521 B16R1.945 CNNC(=O)C(C)C(=O)Nc1ccccc1 22a_100016993582_100012277477 [0,1,0,0,0,1|2,0,0]=4 4522 B16R1.945 COCC(=O)C(C)C(=O)Nc1ccccc1 1458a_100000210968_100000183986 [0,1,0,0,0,1|2,0,0]=4 4523 B16R1.945 CSCC(=O)C(C)C(=O)Nc1ccccc1 1458a_100000184570_100000183986 [0,1,0,0,0,1|2,0,0]=4 4524 B16R1.955 C=C(CCC)CC(=O)Cc1ccc(cc1)Br 1458a_100000138376_100000189115 [0,1,0,0,0,1|2,0,0]=4 4525 B16R1.955 C=C(CCC)CC(=O)Cc1ccc(cc1)C 1458a_100000138376_100000210814 [0,1,0,0,0,1|2,0,0]=4 4526 B16R1.955 C=C(CCC)CC(=O)Cc1ccc(cc1)Cl 1458a_100000138376_100000694040 [0,1,0,0,0,1|2,0,0]=4 4527 B16R1.955 C=C(CCC)CC(=O)Cc1ccc(cc1)F 1458a_100000138376_100000198546 [0,1,0,0,0,1|2,0,0]=4 4528 B16R1.955 C=C(CCC)CC(=O)Cc1ccc(cc1)I 1458a_100000138376_100000189116 [0,1,0,0,0,1|2,0,0]=4 4529 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000138376 [0,1,0,0,0,1|2,0,0]=4 4530 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000138376 [0,1,0,0,0,1|2,0,0]=4 4531 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000138376 [0,1,0,0,0,1|2,0,0]=4 4532 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)C 11a_100000124888_100000138376 [0,1,0,0,0,1|2,0,0]=4 4533 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000138376 [0,1,0,0,0,1|2,0,0]=4 4534 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)C 527a_100000124888_100000138376 [0,1,0,0,0,1|2,0,0]=4 4535 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000138376 [0,1,0,0,0,1|2,0,0]=4 4536 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000138376 [0,1,0,0,0,1|2,0,0]=4 4537 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000138376 [0,1,0,0,0,1|2,0,0]=4 4538 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)F 11a_100000185862_100000138376 [0,1,0,0,0,1|2,0,0]=4 4539 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000138376 [0,1,0,0,0,1|2,0,0]=4 4540 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)F 527a_100000185862_100000138376 [0,1,0,0,0,1|2,0,0]=4 4541 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)I 11a_100000185761_100000138376 [0,1,0,0,0,1|2,0,0]=4 4542 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000138376 [0,1,0,0,0,1|2,0,0]=4 4543 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)I 527a_100000185761_100000138376 [0,1,0,0,0,1|2,0,0]=4 4544 B16R1.955 C=C(CCC)CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000138376 [0,1,0,0,0,1|2,0,0]=4 4545 B16R1.955 C=COC(=O)CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000036128 [0,1,0,0,0,1|0,0,2]=4 4546 B16R1.955 C=COC(=O)CC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000036128 [0,1,0,0,0,1|0,0,2]=4 4547 B16R1.955 C=COC(=O)CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000036128 [0,1,0,0,0,1|0,0,2]=4 4548 B16R1.955 C=COC(=O)CC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000036128 [0,1,0,0,0,1|0,0,2]=4 4549 B16R1.955 C=COC(=O)CC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000036128 [0,1,0,0,0,1|0,0,2]=4 4550 B16R1.955 C=COC(=O)CC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000036128 [0,1,0,0,0,1|0,0,2]=4 4551 B16R1.955 CC#CC(=O)CC(=O)Nc1ccc(cc1)Br 1458a_100000763181_100000183692 [0,1,0,0,0,1|1,0,1]=4 4552 B16R1.955 CC#CC(=O)CC(=O)Nc1ccc(cc1)C 1458a_100000763181_100000182914 [0,1,0,0,0,1|1,0,1]=4 4553 B16R1.955 CC#CC(=O)CC(=O)Nc1ccc(cc1)Cl 1458a_100000763181_100000182960 [0,1,0,0,0,1|1,0,1]=4 4554 B16R1.955 CC#CC(=O)CC(=O)Nc1ccc(cc1)F 1458a_100000763181_100000181725 [0,1,0,0,0,1|1,0,1]=4 4555 B16R1.955 CC#CC(=O)CC(=O)Nc1ccc(cc1)I 1458a_100000763181_100000183000 [0,1,0,0,0,1|1,0,1]=4 4556 B16R1.955 CC#CC(=O)CC(=O)Nc1ccc(cc1)O 1458a_100000763181_100000233757 [0,1,0,0,0,1|1,0,1]=4 4557 B16R1.955 CC#CC(=O)CC(=O)Oc1ccc(cc1)Br 1458a_100000763181_200010760497 [0,1,0,0,0,1|1,0,1]=4 4558 B16R1.955 CC=CC(=O)CC(=O)Nc1ccc(cc1)Br 1458a_100000210699_100000183692 [0,1,0,0,0,1|1,0,1]=4 4559 B16R1.955 CC=CC(=O)CC(=O)Nc1ccc(cc1)C 1458a_100000210699_100000182914 [0,1,0,0,0,1|1,0,1]=4 4560 B16R1.955 CC=CC(=O)CC(=O)Nc1ccc(cc1)Cl 1458a_100000210699_100000182960 [0,1,0,0,0,1|1,0,1]=4 4561 B16R1.955 CC=CC(=O)CC(=O)Nc1ccc(cc1)F 1458a_100000210699_100000181725 [0,1,0,0,0,1|1,0,1]=4 4562 B16R1.955 CC=CC(=O)CC(=O)Nc1ccc(cc1)I 1458a_100000210699_100000183000 [0,1,0,0,0,1|1,0,1]=4 4563 B16R1.955 CC=CC(=O)CC(=O)Nc1ccc(cc1)O 1458a_100000210699_100000233757 [0,1,0,0,0,1|1,0,1]=4 4564 B16R1.955 CC=CC(=O)CC(=O)Oc1ccc(cc1)Br 1458a_100000210699_200010760497 [0,1,0,0,0,1|1,0,1]=4 4565 B16R1.955 CCCC(=O)CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000747444 [0,1,0,0,0,1|1,0,0]=3 4566 B16R1.955 CCCC(=O)CC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000747444 [0,1,0,0,0,1|1,0,0]=3 4567 B16R1.955 CCCC(=O)CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000747444 [0,1,0,0,0,1|1,0,0]=3 4568 B16R1.955 CCCC(=O)CC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000747444 [0,1,0,0,0,1|1,0,0]=3 4569 B16R1.955 CCCC(=O)CC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000747444 [0,1,0,0,0,1|1,0,0]=3 4570 B16R1.955 CCCC(=O)CC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000747444 [0,1,0,0,0,1|1,0,0]=3 4571 B16R1.955 CCCC(=O)CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000747444 [0,1,0,0,0,1|2,0,0]=4 4572 B16R1.955 CCCC(=O)CC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000747444 [0,1,0,0,0,1|2,0,0]=4 4573 B16R1.955 CCCC(=O)CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000747444 [0,1,0,0,0,1|2,0,0]=4 4574 B16R1.955 CCCC(=O)CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000747444 [0,1,0,0,0,1|2,0,0]=4 4575 B16R1.955 CCCC(=O)CC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000747444 [0,1,0,0,0,1|2,0,0]=4 4576 B16R1.955 CCCC(=O)CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000747444 [0,1,0,0,0,1|2,0,0]=4 4577 B16R1.955 CCCC(=O)CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000747444 [0,1,0,0,0,1|2,0,0]=4 4578 B16R1.955 CCCC(=O)CC(=O)Nc1ccc(cc1)Br 1458a_100000211992_100000183692 [0,1,0,0,0,1|1,0,0]=3 4579 B16R1.955 CCCC(=O)CC(=O)Nc1ccc(cc1)Br 1458a_100011623802_100000210303 [0,1,0,0,0,1|1,0,0]=3 4580 B16R1.955 CCCC(=O)CC(=O)Nc1ccc(cc1)C 1458a_100000211992_100000182914 [0,1,0,0,0,1|1,0,0]=3 4581 B16R1.955 CCCC(=O)CC(=O)Nc1ccc(cc1)Cl 1458a_100000211992_100000182960 [0,1,0,0,0,1|1,0,0]=3 4582 B16R1.955 CCCC(=O)CC(=O)Nc1ccc(cc1)F 1458a_100000211992_100000181725 [0,1,0,0,0,1|1,0,0]=3 4583 B16R1.955 CCCC(=O)CC(=O)Nc1ccc(cc1)F 1458a_200000189458_100000210303 [0,1,0,0,0,1|1,0,0]=3 4584 B16R1.955 CCCC(=O)CC(=O)Nc1ccc(cc1)I 1458a_100000211992_100000183000 [0,1,0,0,0,1|1,0,0]=3 4585 B16R1.955 CCCC(=O)CC(=O)Nc1ccc(cc1)O 1458a_100000211992_100000233757 [0,1,0,0,0,1|1,0,0]=3 4586 B16R1.955 CCCC(=O)CC(=O)Nc1ccc(cn1)Br 1458a_100000211992_100000239667 [0,1,0,0,0,1|2,0,0]=4 4587 B16R1.955 CCCC(=O)CC(=O)Nc1ccc(cn1)C 1458a_100000211992_100020671718 [0,1,0,0,0,1|2,0,0]=4 4588 B16R1.955 CCCC(=O)CC(=O)Nc1ccc(cn1)Cl 1458a_100000211992_100000183295 [0,1,0,0,0,1|2,0,0]=4 4589 B16R1.955 CCCC(=O)CC(=O)Nc1ccc(nc1)Cl 1458a_100000211992_100020591235 [0,1,0,0,0,1|2,0,0]=4 4590 B16R1.955 CCCC(=O)CC(=O)Oc1ccc(cc1)Br 1458a_100000211992_200010760497 [0,1,0,0,0,1|1,0,0]=3 4591 B16R1.955 CCCS(=O)CC(=O)Cc1ccc(cc1)Br 1458a_100011387404_100000189115 [0,1,0,0,0,1|2,0,0]=4 4592 B16R1.955 CCCS(=O)CC(=O)Cc1ccc(cc1)C 1458a_100011387404_100000210814 [0,1,0,0,0,1|2,0,0]=4 4593 B16R1.955 CCCS(=O)CC(=O)Cc1ccc(cc1)Cl 1458a_100011387404_100000694040 [0,1,0,0,0,1|2,0,0]=4 4594 B16R1.955 CCCS(=O)CC(=O)Cc1ccc(cc1)F 1458a_100011387404_100000198546 [0,1,0,0,0,1|2,0,0]=4 4595 B16R1.955 CCCS(=O)CC(=O)Cc1ccc(cc1)I 1458a_100011387404_100000189116 [0,1,0,0,0,1|2,0,0]=4 4596 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100011387404 [0,1,0,0,0,1|2,0,0]=4 4597 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100011387404 [0,1,0,0,0,1|2,0,0]=4 4598 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100011387404 [0,1,0,0,0,1|2,0,0]=4 4599 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100011387404 [0,1,0,0,0,1|2,0,0]=4 4600 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)C 11a_100000124888_100011387404 [0,1,0,0,0,1|2,0,0]=4 4601 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100011387404 [0,1,0,0,0,1|2,0,0]=4 4602 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)C 22a_100000124888_100011387404 [0,1,0,0,0,1|2,0,0]=4 4603 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)C 527a_100000124888_100011387404 [0,1,0,0,0,1|2,0,0]=4 4604 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100011387404 [0,1,0,0,0,1|2,0,0]=4 4605 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100011387404 [0,1,0,0,0,1|2,0,0]=4 4606 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011387404 [0,1,0,0,0,1|2,0,0]=4 4607 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100011387404 [0,1,0,0,0,1|2,0,0]=4 4608 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)F 11a_100000185862_100011387404 [0,1,0,0,0,1|2,0,0]=4 4609 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100011387404 [0,1,0,0,0,1|2,0,0]=4 4610 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)F 22a_100000185862_100011387404 [0,1,0,0,0,1|2,0,0]=4 4611 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)F 527a_100000185862_100011387404 [0,1,0,0,0,1|2,0,0]=4 4612 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)I 11a_100000185761_100011387404 [0,1,0,0,0,1|2,0,0]=4 4613 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100011387404 [0,1,0,0,0,1|2,0,0]=4 4614 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)I 22a_100000185761_100011387404 [0,1,0,0,0,1|2,0,0]=4 4615 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)I 527a_100000185761_100011387404 [0,1,0,0,0,1|2,0,0]=4 4616 B16R1.955 CCCS(=O)CC(=O)Nc1ccc(cc1)O 22a_100000185829_100011387404 [0,1,0,0,0,1|2,0,0]=4 4617 B16R1.955 CCNC(=O)CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000183381 [0,1,0,0,0,1|1,0,0]=3 4618 B16R1.955 CCNC(=O)CC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000183381 [0,1,0,0,0,1|1,0,0]=3 4619 B16R1.955 CCNC(=O)CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000183381 [0,1,0,0,0,1|1,0,0]=3 4620 B16R1.955 CCNC(=O)CC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000183381 [0,1,0,0,0,1|1,0,0]=3 4621 B16R1.955 CCNC(=O)CC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000183381 [0,1,0,0,0,1|1,0,0]=3 4622 B16R1.955 CCNC(=O)CC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000183381 [0,1,0,0,0,1|1,0,0]=3 4623 B16R1.955 CCNC(=O)CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000183381 [0,1,0,0,0,1|2,0,0]=4 4624 B16R1.955 CCNC(=O)CC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000183381 [0,1,0,0,0,1|2,0,0]=4 4625 B16R1.955 CCNC(=O)CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000183381 [0,1,0,0,0,1|2,0,0]=4 4626 B16R1.955 CCNC(=O)CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000183381 [0,1,0,0,0,1|2,0,0]=4 4627 B16R1.955 CCNC(=O)CC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000183381 [0,1,0,0,0,1|2,0,0]=4 4628 B16R1.955 CCNC(=O)CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000183381 [0,1,0,0,0,1|2,0,0]=4 4629 B16R1.955 CCNC(=O)CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000183381 [0,1,0,0,0,1|2,0,0]=4 4630 B16R1.955 CCNC(=O)CC(=O)Nc1ccc(cc1)Br 11a_100015525214_100011623802 [0,1,0,0,0,1|1,0,0]=3 4631 B16R1.955 CCNC(=O)CC(=O)Nc1ccc(cc1)Br 240690a_100015525214_100011623802 [0,1,0,0,0,1|1,0,0]=3 4632 B16R1.955 CCNC(=O)CC(=O)Nc1ccc(cc1)F 11a_100015525214_200000189458 [0,1,0,0,0,1|1,0,0]=3 4633 B16R1.955 CCNC(=O)CC(=O)Nc1ccc(cc1)F 240690a_100015525214_200000189458 [0,1,0,0,0,1|1,0,0]=3 4634 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000188475 [0,1,0,0,0,1|0,0,0]=2 4635 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cc1)Br 1458a_100000243816_100000189115 [0,1,0,0,0,1|0,0,0]=2 4636 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000188475 [0,1,0,0,0,1|0,0,0]=2 4637 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cc1)C 1458a_100000243816_100000210814 [0,1,0,0,0,1|0,0,0]=2 4638 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000188475 [0,1,0,0,0,1|0,0,0]=2 4639 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cc1)Cl 1458a_100000243816_100000694040 [0,1,0,0,0,1|0,0,0]=2 4640 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000188475 [0,1,0,0,0,1|0,0,0]=2 4641 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cc1)F 1458a_100000243816_100000198546 [0,1,0,0,0,1|0,0,0]=2 4642 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cc1)I 1458a_100000243816_100000189116 [0,1,0,0,0,1|0,0,0]=2 4643 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000188475 [0,1,0,0,0,1|0,0,0]=2 4644 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000188475 [0,1,0,0,0,1|0,0,0]=2 4645 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cn1)Br 1458a_100000243816_100000702658 [0,1,0,0,0,1|1,0,0]=3 4646 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000188475 [0,1,0,0,0,1|1,0,0]=3 4647 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cn1)C 1458a_100000243816_100000691093 [0,1,0,0,0,1|1,0,0]=3 4648 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000188475 [0,1,0,0,0,1|1,0,0]=3 4649 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cn1)Cl 1458a_100000243816_100012066911 [0,1,0,0,0,1|1,0,0]=3 4650 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000188475 [0,1,0,0,0,1|1,0,0]=3 4651 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(cn1)F 1458a_100000243816_100000703193 [0,1,0,0,0,1|1,0,0]=3 4652 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(nc1)Br 1458a_100000243816_100009831999 [0,1,0,0,0,1|1,0,0]=3 4653 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000188475 [0,1,0,0,0,1|1,0,0]=3 4654 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(nc1)C 1458a_100000243816_100016987292 [0,1,0,0,0,1|1,0,0]=3 4655 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000188475 [0,1,0,0,0,1|1,0,0]=3 4656 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000188475 [0,1,0,0,0,1|1,0,0]=3 4657 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(nc1)Cl 1458a_100000243816_100000735431 [0,1,0,0,0,1|1,0,0]=3 4658 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(nc1)F 1458a_100000243816_100009820150 [0,1,0,0,0,1|1,0,0]=3 4659 B16R1.955 CCOC(=O)CC(=O)Cc1ccc(nn1)Cl 1458a_100000243816_100016992710 [0,1,0,0,0,1|2,0,0]=4 4660 B16R1.955 CCOC(=O)CC(=O)Cc1cnc(cn1)C 1458a_100000243816_100000752025 [0,1,0,0,0,1|2,0,0]=4 4661 B16R1.955 CCOC(=O)CC(=O)Cc1ncc(cn1)Br 1458a_100000243816_100010064664 [0,1,0,0,0,1|2,0,0]=4 4662 B16R1.955 CCOC(=O)CC(=O)Cc1ncc(cn1)C 1458a_100000243816_100000685645 [0,1,0,0,0,1|2,0,0]=4 4663 B16R1.955 CCOC(=O)CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000188475 [0,1,0,0,0,1|1,0,0]=3 4664 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000243816 [0,1,0,0,0,1|0,0,0]=2 4665 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000243816 [0,1,0,0,0,1|0,0,0]=2 4666 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000243816 [0,1,0,0,0,1|0,0,0]=2 4667 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000243816 [0,1,0,0,0,1|0,0,0]=2 4668 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000243816 [0,1,0,0,0,1|0,0,0]=2 4669 B16R1.955 CCOC(=O)CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000243816 [0,1,0,0,0,1|0,0,0]=2 4670 B16R1.955 CCOC(=O)CC(C)Nc1ccc(cc1)Br 2230a_100000210018_100009817359 [0,1,0,0,0,1|1,0,1]=4 4671 B16R1.955 CCOC(=O)CC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100009817359 [0,1,0,0,0,1|1,0,1]=4 4672 B16R1.955 CCOC(=O)CC(C)Oc1ccc(cc1)Br 7a_100000185759_100009817359 [0,1,0,0,0,1|1,0,1]=4 4673 B16R1.955 CCOC(=O)CC(C)Oc1ccc(cc1)C 7a_100000210336_100009817359 [0,1,0,0,0,1|1,0,1]=4 4674 B16R1.955 CCOC(=O)CC(C)Oc1ccc(cc1)Cl 7a_100000210216_100009817359 [0,1,0,0,0,1|1,0,1]=4 4675 B16R1.955 CCOC(=O)CC(C)Oc1ccc(cc1)I 7a_100000212066_100009817359 [0,1,0,0,0,1|1,0,1]=4 4676 B16R1.955 CCOC(=O)CC(C)Sc1ccc(cc1)Br 62a_100000752885_100009817359 [0,1,0,0,0,1|1,0,1]=4 4677 B16R1.955 CCOC(=O)CC(C)Sc1ccc(cc1)Br 62a_100009817359_100000752885 [0,1,0,0,0,1|1,0,1]=4 4678 B16R1.955 CCOC(=O)CC(C)Sc1ccc(cc1)C 62a_100000186775_100009817359 [0,1,0,0,0,1|1,0,1]=4 4679 B16R1.955 CCOC(=O)CC(C)Sc1ccc(cc1)C 62a_100009817359_100000186775 [0,1,0,0,0,1|1,0,1]=4 4680 B16R1.955 CCOC(=O)CC(C)Sc1ccc(cc1)Cl 62a_100000755918_100009817359 [0,1,0,0,0,1|1,0,1]=4 4681 B16R1.955 CCOC(=O)CC(C)Sc1ccc(cc1)Cl 62a_100009817359_100000755918 [0,1,0,0,0,1|1,0,1]=4 4682 B16R1.955 CCOC(=O)CC(C)Sc1ccc(cc1)F 62a_100000211213_100009817359 [0,1,0,0,0,1|1,0,1]=4 4683 B16R1.955 CCOC(=O)CC(C)Sc1ccc(cc1)F 62a_100009817359_100000211213 [0,1,0,0,0,1|1,0,1]=4 4684 B16R1.955 CCOC(=O)CC(C)Sc1ccc(cc1)N 62a_100000185761_100009817359 [0,1,0,0,0,1|1,0,1]=4 4685 B16R1.955 CCOC(=O)CC(C)Sc1ccc(cc1)N 62a_100009817359_100000185761 [0,1,0,0,0,1|1,0,1]=4 4686 B16R1.955 CCOC(=O)CC(C)Sc1ccc(cc1)O 62a_100009817359_100000185759 [0,1,0,0,0,1|1,0,1]=4 4687 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000188475 [0,1,0,0,0,1|2,0,0]=4 4688 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)Br 2230a_100000220588_100011217064 [0,1,0,0,0,1|2,0,0]=4 4689 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000188475 [0,1,0,0,0,1|2,0,0]=4 4690 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)Br 26a_100000220588_100000185759 [0,1,0,0,0,1|2,0,0]=4 4691 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)Br 270004a_100000220588_100000186029 [0,1,0,0,0,1|2,0,0]=4 4692 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)C 2230a_100000220588_100000210814 [0,1,0,0,0,1|2,0,0]=4 4693 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)C 2230a_100000744650_100000188475 [0,1,0,0,0,1|2,0,0]=4 4694 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)C 269982a_100000744650_100000188475 [0,1,0,0,0,1|2,0,0]=4 4695 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)C 26a_100000220588_200020625495 [0,1,0,0,0,1|2,0,0]=4 4696 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)C 270004a_100000220588_100000211033 [0,1,0,0,0,1|2,0,0]=4 4697 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)C 34a_100000744650_100000188475 [0,1,0,0,0,1|2,0,0]=4 4698 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000188475 [0,1,0,0,0,1|2,0,0]=4 4699 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)Cl 2230a_100000220588_100000694040 [0,1,0,0,0,1|2,0,0]=4 4700 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000188475 [0,1,0,0,0,1|2,0,0]=4 4701 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)Cl 270004a_100000220588_100000189385 [0,1,0,0,0,1|2,0,0]=4 4702 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000188475 [0,1,0,0,0,1|2,0,0]=4 4703 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)F 2230a_100000184576_100000188475 [0,1,0,0,0,1|2,0,0]=4 4704 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)F 2230a_100000220588_100000198546 [0,1,0,0,0,1|2,0,0]=4 4705 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)F 2230a_100000747979_200000210301 [0,1,0,0,0,1|2,0,0]=4 4706 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)F 269982a_100000184576_100000188475 [0,1,0,0,0,1|2,0,0]=4 4707 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)F 269982a_100000747979_200000210301 [0,1,0,0,0,1|2,0,0]=4 4708 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)F 270004a_100000220588_100000210084 [0,1,0,0,0,1|2,0,0]=4 4709 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)F 34a_100000184576_100000188475 [0,1,0,0,0,1|2,0,0]=4 4710 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)I 2230a_100000220588_100000189116 [0,1,0,0,0,1|2,0,0]=4 4711 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)O 2230a_100000207500_100000188475 [0,1,0,0,0,1|2,0,0]=4 4712 B16R1.955 CCOC(=O)CN(C)Cc1ccc(cc1)O 269982a_100000207500_100000188475 [0,1,0,0,0,1|2,0,0]=4 4713 B16R1.955 CCOC(=O)CN([13CH3])Cc1ccc(cc1)F 2230a_100000747979_200025704644 [0,1,0,0,0,1|2,0,0]=4 4714 B16R1.955 CCOC(=O)CN([13CH3])Cc1ccc(cc1)F 269982a_100000747979_200025704644 [0,1,0,0,0,1|2,0,0]=4 4715 B16R1.955 CNNC(=O)CC(=O)Nc1ccc(cc1)Br 22a_100016993582_100011623802 [0,1,0,0,0,1|2,0,0]=4 4716 B16R1.955 COCC(=O)CC(=O)Nc1ccc(cc1)Br 1458a_100000210968_100000183692 [0,1,0,0,0,1|2,0,0]=4 4717 B16R1.955 COCC(=O)CC(=O)Nc1ccc(cc1)C 1458a_100000210968_100000182914 [0,1,0,0,0,1|2,0,0]=4 4718 B16R1.955 COCC(=O)CC(=O)Nc1ccc(cc1)Cl 1458a_100000210968_100000182960 [0,1,0,0,0,1|2,0,0]=4 4719 B16R1.955 COCC(=O)CC(=O)Nc1ccc(cc1)F 1458a_100000210968_100000181725 [0,1,0,0,0,1|2,0,0]=4 4720 B16R1.955 COCC(=O)CC(=O)Nc1ccc(cc1)I 1458a_100000210968_100000183000 [0,1,0,0,0,1|2,0,0]=4 4721 B16R1.955 COCC(=O)CC(=O)Nc1ccc(cc1)O 1458a_100000210968_100000233757 [0,1,0,0,0,1|2,0,0]=4 4722 B16R1.955 COCC(=O)CC(=O)Oc1ccc(cc1)Br 1458a_100000210968_200010760497 [0,1,0,0,0,1|2,0,0]=4 4723 B16R1.955 CSCC(=O)CC(=O)Nc1ccc(cc1)Br 1458a_100000184570_100000183692 [0,1,0,0,0,1|2,0,0]=4 4724 B16R1.955 CSCC(=O)CC(=O)Nc1ccc(cc1)C 1458a_100000184570_100000182914 [0,1,0,0,0,1|2,0,0]=4 4725 B16R1.955 CSCC(=O)CC(=O)Nc1ccc(cc1)Cl 1458a_100000184570_100000182960 [0,1,0,0,0,1|2,0,0]=4 4726 B16R1.955 CSCC(=O)CC(=O)Nc1ccc(cc1)F 1458a_100000184570_100000181725 [0,1,0,0,0,1|2,0,0]=4 4727 B16R1.955 CSCC(=O)CC(=O)Nc1ccc(cc1)I 1458a_100000184570_100000183000 [0,1,0,0,0,1|2,0,0]=4 4728 B16R1.955 CSCC(=O)CC(=O)Nc1ccc(cc1)O 1458a_100000184570_100000233757 [0,1,0,0,0,1|2,0,0]=4 4729 B16R1.955 CSCC(=O)CC(=O)Oc1ccc(cc1)Br 1458a_100000184570_200010760497 [0,1,0,0,0,1|2,0,0]=4 4730 B16R1.955 Cc1ccc(cc1)CC(=O)CC(=O)NCO 1458a_100000212244_100000185155 [0,1,0,0,0,1|2,0,0]=4 4731 B16R1.955 Cc1ccc(cc1)NC(=O)CC(=O)CCO 1458a_100011216618_100000182914 [0,1,0,0,0,1|2,0,0]=4 4732 B16R1.955 O=C(CC(=O)NCO)Cc1ccc(cc1)Br 1458a_100000198978_100000185155 [0,1,0,0,0,1|2,0,0]=4 4733 B16R1.955 O=C(CC(=O)NCO)Cc1ccc(cc1)Cl 1458a_100000211027_100000185155 [0,1,0,0,0,1|2,0,0]=4 4734 B16R1.955 O=C(CC(=O)NCO)Cc1ccc(cc1)F 1458a_100000210951_100000185155 [0,1,0,0,0,1|2,0,0]=4 4735 B16R1.955 O=C(CC(=O)NCO)Cc1ccc(cc1)I 1458a_100000688869_100000185155 [0,1,0,0,0,1|2,0,0]=4 4736 B16R1.955 O=C(CC(=O)NCO)Cc1ccc(cc1)O 1458a_100000198540_100000185155 [0,1,0,0,0,1|2,0,0]=4 4737 B16R1.955 O=C(CCF)CC(=O)Nc1ccc(cc1)Br 1458a_100011623802_100011217306 [0,1,0,0,0,1|2,0,0]=4 4738 B16R1.955 O=C(CCF)CC(=O)Nc1ccc(cc1)F 1458a_200000189458_100011217306 [0,1,0,0,0,1|2,0,0]=4 4739 B16R1.955 O=C(CCO)CC(=O)Nc1ccc(cc1)Br 1458a_100011216618_100000183692 [0,1,0,0,0,1|2,0,0]=4 4740 B16R1.955 O=C(CCO)CC(=O)Nc1ccc(cc1)Br 1458a_100011623802_100000211926 [0,1,0,0,0,1|2,0,0]=4 4741 B16R1.955 O=C(CCO)CC(=O)Nc1ccc(cc1)Cl 1458a_100011216618_100000182960 [0,1,0,0,0,1|2,0,0]=4 4742 B16R1.955 O=C(CCO)CC(=O)Nc1ccc(cc1)F 1458a_100011216618_100000181725 [0,1,0,0,0,1|2,0,0]=4 4743 B16R1.955 O=C(CCO)CC(=O)Nc1ccc(cc1)F 1458a_200000189458_100000211926 [0,1,0,0,0,1|2,0,0]=4 4744 B16R1.955 O=C(CCO)CC(=O)Nc1ccc(cc1)I 1458a_100011216618_100000183000 [0,1,0,0,0,1|2,0,0]=4 4745 B16R1.955 O=C(CCO)CC(=O)Nc1ccc(cc1)O 1458a_100011216618_100000233757 [0,1,0,0,0,1|2,0,0]=4 4746 B16R1.955 O=C(CCO)CC(=O)Oc1ccc(cc1)Br 1458a_100011216618_200010760497 [0,1,0,0,0,1|2,0,0]=4 4747 B16R1.956 C=C(CCC)CC(=O)Cc1cccc(c1)Br 1458a_100000138376_100000211773 [0,1,0,0,0,1|2,0,0]=4 4748 B16R1.956 C=C(CCC)CC(=O)Cc1cccc(c1)C 1458a_100000138376_100000211840 [0,1,0,0,0,1|2,0,0]=4 4749 B16R1.956 C=C(CCC)CC(=O)Cc1cccc(c1)Cl 1458a_100000138376_100000181238 [0,1,0,0,0,1|2,0,0]=4 4750 B16R1.956 C=C(CCC)CC(=O)Cc1cccc(c1)F 1458a_100000138376_100000230114 [0,1,0,0,0,1|2,0,0]=4 4751 B16R1.956 C=C(CCC)CC(=O)Cc1cccc(c1)I 1458a_100000138376_100011218688 [0,1,0,0,0,1|2,0,0]=4 4752 B16R1.956 C=C(CCC)CC(=O)Cc1cccc(c1)O 1458a_100000138376_100011660834 [0,1,0,0,0,1|2,0,0]=4 4753 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)Br 11a_100000210019_100000138376 [0,1,0,0,0,1|2,0,0]=4 4754 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000138376 [0,1,0,0,0,1|2,0,0]=4 4755 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)Br 527a_100000210019_100000138376 [0,1,0,0,0,1|2,0,0]=4 4756 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)C 11a_100000188690_100000138376 [0,1,0,0,0,1|2,0,0]=4 4757 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)C 22a_100000188690_100000138376 [0,1,0,0,0,1|2,0,0]=4 4758 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)C 527a_100000188690_100000138376 [0,1,0,0,0,1|2,0,0]=4 4759 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000138376 [0,1,0,0,0,1|2,0,0]=4 4760 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000138376 [0,1,0,0,0,1|2,0,0]=4 4761 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)F 11a_100000210047_100000138376 [0,1,0,0,0,1|2,0,0]=4 4762 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)F 22a_100000210047_100000138376 [0,1,0,0,0,1|2,0,0]=4 4763 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)F 527a_100000210047_100000138376 [0,1,0,0,0,1|2,0,0]=4 4764 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)I 11a_100000211102_100000138376 [0,1,0,0,0,1|2,0,0]=4 4765 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)I 22a_100000211102_100000138376 [0,1,0,0,0,1|2,0,0]=4 4766 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)I 527a_100000211102_100000138376 [0,1,0,0,0,1|2,0,0]=4 4767 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)O 22a_100000210217_100000138376 [0,1,0,0,0,1|2,0,0]=4 4768 B16R1.956 C=C(CCC)CC(=O)Nc1cccc(c1)O 527a_100000210217_100000138376 [0,1,0,0,0,1|2,0,0]=4 4769 B16R1.956 C=COC(=O)CC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000036128 [0,1,0,0,0,1|0,0,2]=4 4770 B16R1.956 C=COC(=O)CC(=O)Cc1cccc(c1)C 1458a_100011206899_100000036128 [0,1,0,0,0,1|0,0,2]=4 4771 B16R1.956 C=COC(=O)CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000036128 [0,1,0,0,0,1|0,0,2]=4 4772 B16R1.956 C=COC(=O)CC(=O)Cc1cccc(c1)F 1458a_100000211661_100000036128 [0,1,0,0,0,1|0,0,2]=4 4773 B16R1.956 C=COC(=O)CC(=O)Cc1cccc(c1)I 1458a_100000238430_100000036128 [0,1,0,0,0,1|0,0,2]=4 4774 B16R1.956 C=COC(=O)CC(=O)Cc1cccc(c1)O 1458a_100000745134_100000036128 [0,1,0,0,0,1|0,0,2]=4 4775 B16R1.956 CC#CC(=O)CC(=O)Nc1cccc(c1)Br 1458a_100000763181_100000183509 [0,1,0,0,0,1|1,0,1]=4 4776 B16R1.956 CC#CC(=O)CC(=O)Nc1cccc(c1)C 1458a_100000763181_100000182861 [0,1,0,0,0,1|1,0,1]=4 4777 B16R1.956 CC#CC(=O)CC(=O)Nc1cccc(c1)Cl 1458a_100000763181_100000182995 [0,1,0,0,0,1|1,0,1]=4 4778 B16R1.956 CC#CC(=O)CC(=O)Nc1cccc(c1)F 1458a_100000763181_100000183335 [0,1,0,0,0,1|1,0,1]=4 4779 B16R1.956 CC#CC(=O)CC(=O)Nc1cccc(c1)O 1458a_100000763181_100011236192 [0,1,0,0,0,1|1,0,1]=4 4780 B16R1.956 CC=CC(=O)CC(=O)Nc1cccc(c1)Br 1458a_100000210699_100000183509 [0,1,0,0,0,1|1,0,1]=4 4781 B16R1.956 CC=CC(=O)CC(=O)Nc1cccc(c1)C 1458a_100000210699_100000182861 [0,1,0,0,0,1|1,0,1]=4 4782 B16R1.956 CC=CC(=O)CC(=O)Nc1cccc(c1)Cl 1458a_100000210699_100000182995 [0,1,0,0,0,1|1,0,1]=4 4783 B16R1.956 CC=CC(=O)CC(=O)Nc1cccc(c1)F 1458a_100000210699_100000183335 [0,1,0,0,0,1|1,0,1]=4 4784 B16R1.956 CC=CC(=O)CC(=O)Nc1cccc(c1)O 1458a_100000210699_100011236192 [0,1,0,0,0,1|1,0,1]=4 4785 B16R1.956 CCCC(=O)CC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000747444 [0,1,0,0,0,1|1,0,0]=3 4786 B16R1.956 CCCC(=O)CC(=O)Cc1cccc(c1)C 1458a_100011206899_100000747444 [0,1,0,0,0,1|1,0,0]=3 4787 B16R1.956 CCCC(=O)CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000747444 [0,1,0,0,0,1|1,0,0]=3 4788 B16R1.956 CCCC(=O)CC(=O)Cc1cccc(c1)F 1458a_100000211661_100000747444 [0,1,0,0,0,1|1,0,0]=3 4789 B16R1.956 CCCC(=O)CC(=O)Cc1cccc(c1)I 1458a_100000238430_100000747444 [0,1,0,0,0,1|1,0,0]=3 4790 B16R1.956 CCCC(=O)CC(=O)Cc1cccc(c1)O 1458a_100000745134_100000747444 [0,1,0,0,0,1|1,0,0]=3 4791 B16R1.956 CCCC(=O)CC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000747444 [0,1,0,0,0,1|2,0,0]=4 4792 B16R1.956 CCCC(=O)CC(=O)Cc1cccc(n1)C 1458a_100012001110_100000747444 [0,1,0,0,0,1|2,0,0]=4 4793 B16R1.956 CCCC(=O)CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000747444 [0,1,0,0,0,1|2,0,0]=4 4794 B16R1.956 CCCC(=O)CC(=O)Cc1cccc(n1)F 1458a_100000096803_100000747444 [0,1,0,0,0,1|2,0,0]=4 4795 B16R1.956 CCCC(=O)CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100000747444 [0,1,0,0,0,1|2,0,0]=4 4796 B16R1.956 CCCC(=O)CC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000747444 [0,1,0,0,0,1|2,0,0]=4 4797 B16R1.956 CCCC(=O)CC(=O)Cc1cncc(c1)F 1458a_100011667516_100000747444 [0,1,0,0,0,1|2,0,0]=4 4798 B16R1.956 CCCC(=O)CC(=O)Nc1cccc(c1)Br 1458a_100000211992_100000183509 [0,1,0,0,0,1|1,0,0]=3 4799 B16R1.956 CCCC(=O)CC(=O)Nc1cccc(c1)C 1458a_100000211992_100000182861 [0,1,0,0,0,1|1,0,0]=3 4800 B16R1.956 CCCC(=O)CC(=O)Nc1cccc(c1)C 1458a_200011623804_100000210303 [0,1,0,0,0,1|1,0,0]=3 4801 B16R1.956 CCCC(=O)CC(=O)Nc1cccc(c1)Cl 1458a_100000211992_100000182995 [0,1,0,0,0,1|1,0,0]=3 4802 B16R1.956 CCCC(=O)CC(=O)Nc1cccc(c1)F 1458a_100000211992_100000183335 [0,1,0,0,0,1|1,0,0]=3 4803 B16R1.956 CCCC(=O)CC(=O)Nc1cccc(c1)O 1458a_100000211992_100011236192 [0,1,0,0,0,1|1,0,0]=3 4804 B16R1.956 CCCC(=O)CC(=O)Nc1cccc(n1)C 1458a_100000211992_103633700106 [0,1,0,0,0,1|2,0,0]=4 4805 B16R1.956 CCCS(=O)CC(=O)Cc1cccc(c1)Br 1458a_100011387404_100000211773 [0,1,0,0,0,1|2,0,0]=4 4806 B16R1.956 CCCS(=O)CC(=O)Cc1cccc(c1)C 1458a_100011387404_100000211840 [0,1,0,0,0,1|2,0,0]=4 4807 B16R1.956 CCCS(=O)CC(=O)Cc1cccc(c1)Cl 1458a_100011387404_100000181238 [0,1,0,0,0,1|2,0,0]=4 4808 B16R1.956 CCCS(=O)CC(=O)Cc1cccc(c1)F 1458a_100011387404_100000230114 [0,1,0,0,0,1|2,0,0]=4 4809 B16R1.956 CCCS(=O)CC(=O)Cc1cccc(c1)I 1458a_100011387404_100011218688 [0,1,0,0,0,1|2,0,0]=4 4810 B16R1.956 CCCS(=O)CC(=O)Cc1cccc(c1)O 1458a_100011387404_100011660834 [0,1,0,0,0,1|2,0,0]=4 4811 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)Br 11a_100000210019_100011387404 [0,1,0,0,0,1|2,0,0]=4 4812 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100011387404 [0,1,0,0,0,1|2,0,0]=4 4813 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)Br 22a_100000210019_100011387404 [0,1,0,0,0,1|2,0,0]=4 4814 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)Br 527a_100000210019_100011387404 [0,1,0,0,0,1|2,0,0]=4 4815 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)C 11a_100000188690_100011387404 [0,1,0,0,0,1|2,0,0]=4 4816 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)C 1626a_100000188690_100011387404 [0,1,0,0,0,1|2,0,0]=4 4817 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)C 22a_100000188690_100011387404 [0,1,0,0,0,1|2,0,0]=4 4818 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)C 527a_100000188690_100011387404 [0,1,0,0,0,1|2,0,0]=4 4819 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100011387404 [0,1,0,0,0,1|2,0,0]=4 4820 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100011387404 [0,1,0,0,0,1|2,0,0]=4 4821 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100011387404 [0,1,0,0,0,1|2,0,0]=4 4822 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)F 11a_100000210047_100011387404 [0,1,0,0,0,1|2,0,0]=4 4823 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)F 1626a_100000210047_100011387404 [0,1,0,0,0,1|2,0,0]=4 4824 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)F 22a_100000210047_100011387404 [0,1,0,0,0,1|2,0,0]=4 4825 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)F 527a_100000210047_100011387404 [0,1,0,0,0,1|2,0,0]=4 4826 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)I 11a_100000211102_100011387404 [0,1,0,0,0,1|2,0,0]=4 4827 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)I 1626a_100000211102_100011387404 [0,1,0,0,0,1|2,0,0]=4 4828 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)I 22a_100000211102_100011387404 [0,1,0,0,0,1|2,0,0]=4 4829 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)I 527a_100000211102_100011387404 [0,1,0,0,0,1|2,0,0]=4 4830 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)O 1626a_100000210217_100011387404 [0,1,0,0,0,1|2,0,0]=4 4831 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)O 22a_100000210217_100011387404 [0,1,0,0,0,1|2,0,0]=4 4832 B16R1.956 CCCS(=O)CC(=O)Nc1cccc(c1)O 527a_100000210217_100011387404 [0,1,0,0,0,1|2,0,0]=4 4833 B16R1.956 CCNC(=O)CC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000183381 [0,1,0,0,0,1|1,0,0]=3 4834 B16R1.956 CCNC(=O)CC(=O)Cc1cccc(c1)C 1458a_100011206899_100000183381 [0,1,0,0,0,1|1,0,0]=3 4835 B16R1.956 CCNC(=O)CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000183381 [0,1,0,0,0,1|1,0,0]=3 4836 B16R1.956 CCNC(=O)CC(=O)Cc1cccc(c1)F 1458a_100000211661_100000183381 [0,1,0,0,0,1|1,0,0]=3 4837 B16R1.956 CCNC(=O)CC(=O)Cc1cccc(c1)I 1458a_100000238430_100000183381 [0,1,0,0,0,1|1,0,0]=3 4838 B16R1.956 CCNC(=O)CC(=O)Cc1cccc(c1)O 1458a_100000745134_100000183381 [0,1,0,0,0,1|1,0,0]=3 4839 B16R1.956 CCNC(=O)CC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000183381 [0,1,0,0,0,1|2,0,0]=4 4840 B16R1.956 CCNC(=O)CC(=O)Cc1cccc(n1)C 1458a_100012001110_100000183381 [0,1,0,0,0,1|2,0,0]=4 4841 B16R1.956 CCNC(=O)CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000183381 [0,1,0,0,0,1|2,0,0]=4 4842 B16R1.956 CCNC(=O)CC(=O)Cc1cccc(n1)F 1458a_100000096803_100000183381 [0,1,0,0,0,1|2,0,0]=4 4843 B16R1.956 CCNC(=O)CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100000183381 [0,1,0,0,0,1|2,0,0]=4 4844 B16R1.956 CCNC(=O)CC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000183381 [0,1,0,0,0,1|2,0,0]=4 4845 B16R1.956 CCNC(=O)CC(=O)Cc1cncc(c1)F 1458a_100011667516_100000183381 [0,1,0,0,0,1|2,0,0]=4 4846 B16R1.956 CCNC(=O)CC(=O)Nc1cccc(c1)C 11a_100015525214_200011623804 [0,1,0,0,0,1|1,0,0]=3 4847 B16R1.956 CCNC(=O)CC(=O)Nc1cccc(c1)C 240690a_100015525214_200011623804 [0,1,0,0,0,1|1,0,0]=3 4848 B16R1.956 CCOC(=O)CC(=O)Cc1cc(ccn1)Br 1458a_100000243816_100010173614 [0,1,0,0,0,1|1,0,0]=3 4849 B16R1.956 CCOC(=O)CC(=O)Cc1cc(ccn1)C 1458a_100000243816_100000718516 [0,1,0,0,0,1|1,0,0]=3 4850 B16R1.956 CCOC(=O)CC(=O)Cc1cc(ccn1)Cl 1458a_100000243816_100016988179 [0,1,0,0,0,1|1,0,0]=3 4851 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(c1)Br 1458a_100000243816_100000211773 [0,1,0,0,0,1|0,0,0]=2 4852 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000188475 [0,1,0,0,0,1|0,0,0]=2 4853 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(c1)C 1458a_100000243816_100000211840 [0,1,0,0,0,1|0,0,0]=2 4854 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(c1)C 1458a_100011206899_100000188475 [0,1,0,0,0,1|0,0,0]=2 4855 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(c1)Cl 1458a_100000243816_100000181238 [0,1,0,0,0,1|0,0,0]=2 4856 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000188475 [0,1,0,0,0,1|0,0,0]=2 4857 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(c1)F 1458a_100000211661_100000188475 [0,1,0,0,0,1|0,0,0]=2 4858 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(c1)F 1458a_100000243816_100000230114 [0,1,0,0,0,1|0,0,0]=2 4859 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(c1)I 1458a_100000238430_100000188475 [0,1,0,0,0,1|0,0,0]=2 4860 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(c1)I 1458a_100000243816_100011218688 [0,1,0,0,0,1|0,0,0]=2 4861 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(c1)O 1458a_100000243816_100011660834 [0,1,0,0,0,1|0,0,0]=2 4862 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(c1)O 1458a_100000745134_100000188475 [0,1,0,0,0,1|0,0,0]=2 4863 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(n1)Br 1458a_100000243816_100009889011 [0,1,0,0,0,1|1,0,0]=3 4864 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000188475 [0,1,0,0,0,1|1,0,0]=3 4865 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(n1)C 1458a_100000243816_100000757606 [0,1,0,0,0,1|1,0,0]=3 4866 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(n1)C 1458a_100012001110_100000188475 [0,1,0,0,0,1|1,0,0]=3 4867 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000188475 [0,1,0,0,0,1|1,0,0]=3 4868 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(n1)Cl 1458a_100000243816_100000086093 [0,1,0,0,0,1|1,0,0]=3 4869 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(n1)F 1458a_100000096803_100000188475 [0,1,0,0,0,1|1,0,0]=3 4870 B16R1.956 CCOC(=O)CC(=O)Cc1cccc(n1)F 1458a_100000243816_100009819644 [0,1,0,0,0,1|1,0,0]=3 4871 B16R1.956 CCOC(=O)CC(=O)Cc1ccnc(c1)Br 1458a_100000243816_100010243470 [0,1,0,0,0,1|1,0,0]=3 4872 B16R1.956 CCOC(=O)CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100000188475 [0,1,0,0,0,1|1,0,0]=3 4873 B16R1.956 CCOC(=O)CC(=O)Cc1ccnc(c1)C 1458a_100000243816_200020672517 [0,1,0,0,0,1|1,0,0]=3 4874 B16R1.956 CCOC(=O)CC(=O)Cc1ccnc(c1)Cl 1458a_100000243816_100000764220 [0,1,0,0,0,1|1,0,0]=3 4875 B16R1.956 CCOC(=O)CC(=O)Cc1ccnc(n1)Cl 1458a_100000243816_100000099655 [0,1,0,0,0,1|2,0,0]=4 4876 B16R1.956 CCOC(=O)CC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000188475 [0,1,0,0,0,1|1,0,0]=3 4877 B16R1.956 CCOC(=O)CC(=O)Cc1cncc(c1)Br 1458a_100000243816_100011740620 [0,1,0,0,0,1|1,0,0]=3 4878 B16R1.956 CCOC(=O)CC(=O)Cc1cncc(c1)C 1458a_100000243816_100000716715 [0,1,0,0,0,1|1,0,0]=3 4879 B16R1.956 CCOC(=O)CC(=O)Cc1cncc(c1)Cl 1458a_100000243816_100016992070 [0,1,0,0,0,1|1,0,0]=3 4880 B16R1.956 CCOC(=O)CC(=O)Cc1cncc(c1)F 1458a_100000243816_100000725299 [0,1,0,0,0,1|1,0,0]=3 4881 B16R1.956 CCOC(=O)CC(=O)Cc1cncc(c1)F 1458a_100011667516_100000188475 [0,1,0,0,0,1|1,0,0]=3 4882 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000243816 [0,1,0,0,0,1|0,0,0]=2 4883 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(c1)C 22a_100000188690_100000243816 [0,1,0,0,0,1|0,0,0]=2 4884 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000243816 [0,1,0,0,0,1|0,0,0]=2 4885 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(c1)F 22a_100000210047_100000243816 [0,1,0,0,0,1|0,0,0]=2 4886 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(c1)I 22a_100000211102_100000243816 [0,1,0,0,0,1|0,0,0]=2 4887 B16R1.956 CCOC(=O)CC(=O)Nc1cccc(c1)O 22a_100000210217_100000243816 [0,1,0,0,0,1|0,0,0]=2 4888 B16R1.956 CCOC(=O)CC(C)Nc1cccc(c1)C 2230a_100000188690_100009817359 [0,1,0,0,0,1|1,0,1]=4 4889 B16R1.956 CCOC(=O)CC(C)Oc1cccc(c1)Br 7a_100000210342_100009817359 [0,1,0,0,0,1|1,0,1]=4 4890 B16R1.956 CCOC(=O)CC(C)Oc1cccc(c1)C 7a_100000210337_100009817359 [0,1,0,0,0,1|1,0,1]=4 4891 B16R1.956 CCOC(=O)CC(C)Oc1cccc(c1)Cl 7a_100000210295_100009817359 [0,1,0,0,0,1|1,0,1]=4 4892 B16R1.956 CCOC(=O)CC(C)Oc1cccc(c1)F 7a_100000210426_100009817359 [0,1,0,0,0,1|1,0,1]=4 4893 B16R1.956 CCOC(=O)CC(C)Oc1cccc(c1)I 7a_100000211634_100009817359 [0,1,0,0,0,1|1,0,1]=4 4894 B16R1.956 CCOC(=O)CC(C)Sc1cccc(c1)Br 62a_100000691529_100009817359 [0,1,0,0,0,1|1,0,1]=4 4895 B16R1.956 CCOC(=O)CC(C)Sc1cccc(c1)Br 62a_100009817359_100000691529 [0,1,0,0,0,1|1,0,1]=4 4896 B16R1.956 CCOC(=O)CC(C)Sc1cccc(c1)C 62a_100009817359_100011215228 [0,1,0,0,0,1|1,0,1]=4 4897 B16R1.956 CCOC(=O)CC(C)Sc1cccc(c1)C 62a_100011215228_100009817359 [0,1,0,0,0,1|1,0,1]=4 4898 B16R1.956 CCOC(=O)CC(C)Sc1cccc(c1)Cl 62a_100000699651_100009817359 [0,1,0,0,0,1|1,0,1]=4 4899 B16R1.956 CCOC(=O)CC(C)Sc1cccc(c1)Cl 62a_100009817359_100000699651 [0,1,0,0,0,1|1,0,1]=4 4900 B16R1.956 CCOC(=O)CC(C)Sc1cccc(c1)F 62a_100000685547_100009817359 [0,1,0,0,0,1|1,0,1]=4 4901 B16R1.956 CCOC(=O)CC(C)Sc1cccc(c1)F 62a_100009817359_100000685547 [0,1,0,0,0,1|1,0,1]=4 4902 B16R1.956 CCOC(=O)CC(C)Sc1cccc(c1)N 62a_100000210019_100009817359 [0,1,0,0,0,1|1,0,1]=4 4903 B16R1.956 CCOC(=O)CC(C)Sc1cccc(c1)N 62a_100009817359_100000210019 [0,1,0,0,0,1|1,0,1]=4 4904 B16R1.956 CCOC(=O)CC(C)Sc1cccc(c1)O 62a_100009817359_100000211634 [0,1,0,0,0,1|1,0,1]=4 4905 B16R1.956 CCOC(=O)CC(C)Sc1cccc(c1)[S] 62a_100009817359_114929384022 [0,1,0,0,0,1|1,0,1]=4 4906 B16R1.956 CCOC(=O)CC(C)Sc1cccc(c1)[S] 62a_114929384022_100009817359 [0,1,0,0,0,1|1,0,1]=4 4907 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)Br 2230a_100000187585_100000188475 [0,1,0,0,0,1|2,0,0]=4 4908 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)Br 2230a_100000220588_100000698116 [0,1,0,0,0,1|2,0,0]=4 4909 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)Br 269982a_100000187585_100000188475 [0,1,0,0,0,1|2,0,0]=4 4910 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)Br 26a_100000220588_100000210342 [0,1,0,0,0,1|2,0,0]=4 4911 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)Br 270004a_100000220588_100000210085 [0,1,0,0,0,1|2,0,0]=4 4912 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)C 2230a_100000220588_100000211840 [0,1,0,0,0,1|2,0,0]=4 4913 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)C 2230a_102495364743_100000188475 [0,1,0,0,0,1|2,0,0]=4 4914 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)C 269982a_102495364743_100000188475 [0,1,0,0,0,1|2,0,0]=4 4915 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)C 270004a_100000220588_100000211157 [0,1,0,0,0,1|2,0,0]=4 4916 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)C 34a_102495364743_100000188475 [0,1,0,0,0,1|2,0,0]=4 4917 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)Cl 2230a_100000220588_100000181238 [0,1,0,0,0,1|2,0,0]=4 4918 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000188475 [0,1,0,0,0,1|2,0,0]=4 4919 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000188475 [0,1,0,0,0,1|2,0,0]=4 4920 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)Cl 270004a_100000220588_100000210801 [0,1,0,0,0,1|2,0,0]=4 4921 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)F 2230a_100000184398_100000188475 [0,1,0,0,0,1|2,0,0]=4 4922 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)F 2230a_100000220588_100000230114 [0,1,0,0,0,1|2,0,0]=4 4923 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)F 269982a_100000184398_100000188475 [0,1,0,0,0,1|2,0,0]=4 4924 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)F 270004a_100000220588_100000210812 [0,1,0,0,0,1|2,0,0]=4 4925 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)F 34a_100000184398_100000188475 [0,1,0,0,0,1|2,0,0]=4 4926 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)I 2230a_100000220588_100011218688 [0,1,0,0,0,1|2,0,0]=4 4927 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)I 270004a_100000220588_100000014684 [0,1,0,0,0,1|2,0,0]=4 4928 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)O 2230a_100000207540_100000188475 [0,1,0,0,0,1|2,0,0]=4 4929 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)O 2230a_100000220588_100011660834 [0,1,0,0,0,1|2,0,0]=4 4930 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)O 269982a_100000207540_100000188475 [0,1,0,0,0,1|2,0,0]=4 4931 B16R1.956 CCOC(=O)CN(C)Cc1cccc(c1)O 270004a_100000220588_100000188321 [0,1,0,0,0,1|2,0,0]=4 4932 B16R1.956 COCC(=O)CC(=O)Nc1cccc(c1)Br 1458a_100000210968_100000183509 [0,1,0,0,0,1|2,0,0]=4 4933 B16R1.956 COCC(=O)CC(=O)Nc1cccc(c1)C 1458a_100000210968_100000182861 [0,1,0,0,0,1|2,0,0]=4 4934 B16R1.956 COCC(=O)CC(=O)Nc1cccc(c1)Cl 1458a_100000210968_100000182995 [0,1,0,0,0,1|2,0,0]=4 4935 B16R1.956 COCC(=O)CC(=O)Nc1cccc(c1)F 1458a_100000210968_100000183335 [0,1,0,0,0,1|2,0,0]=4 4936 B16R1.956 COCC(=O)CC(=O)Nc1cccc(c1)O 1458a_100000210968_100011236192 [0,1,0,0,0,1|2,0,0]=4 4937 B16R1.956 CSCC(=O)CC(=O)Nc1cccc(c1)Br 1458a_100000184570_100000183509 [0,1,0,0,0,1|2,0,0]=4 4938 B16R1.956 CSCC(=O)CC(=O)Nc1cccc(c1)C 1458a_100000184570_100000182861 [0,1,0,0,0,1|2,0,0]=4 4939 B16R1.956 CSCC(=O)CC(=O)Nc1cccc(c1)Cl 1458a_100000184570_100000182995 [0,1,0,0,0,1|2,0,0]=4 4940 B16R1.956 CSCC(=O)CC(=O)Nc1cccc(c1)F 1458a_100000184570_100000183335 [0,1,0,0,0,1|2,0,0]=4 4941 B16R1.956 CSCC(=O)CC(=O)Nc1cccc(c1)O 1458a_100000184570_100011236192 [0,1,0,0,0,1|2,0,0]=4 4942 B16R1.956 Cc1cccc(c1)CC(=O)CC(=O)NCO 1458a_100011206899_100000185155 [0,1,0,0,0,1|2,0,0]=4 4943 B16R1.956 Cc1cccc(c1)NC(=O)CC(=O)CCF 1458a_200011623804_100011217306 [0,1,0,0,0,1|2,0,0]=4 4944 B16R1.956 Cc1cccc(c1)NC(=O)CC(=O)CCO 1458a_100011216618_100000182861 [0,1,0,0,0,1|2,0,0]=4 4945 B16R1.956 Cc1cccc(c1)NC(=O)CC(=O)CCO 1458a_200011623804_100000211926 [0,1,0,0,0,1|2,0,0]=4 4946 B16R1.956 O=C(CC(=O)NCO)Cc1cccc(c1)Br 1458a_100000747190_100000185155 [0,1,0,0,0,1|2,0,0]=4 4947 B16R1.956 O=C(CC(=O)NCO)Cc1cccc(c1)Cl 1458a_100000749307_100000185155 [0,1,0,0,0,1|2,0,0]=4 4948 B16R1.956 O=C(CC(=O)NCO)Cc1cccc(c1)F 1458a_100000211661_100000185155 [0,1,0,0,0,1|2,0,0]=4 4949 B16R1.956 O=C(CC(=O)NCO)Cc1cccc(c1)I 1458a_100000238430_100000185155 [0,1,0,0,0,1|2,0,0]=4 4950 B16R1.956 O=C(CC(=O)NCO)Cc1cccc(c1)O 1458a_100000745134_100000185155 [0,1,0,0,0,1|2,0,0]=4 4951 B16R1.956 O=C(CCO)CC(=O)Nc1cccc(c1)Br 1458a_100011216618_100000183509 [0,1,0,0,0,1|2,0,0]=4 4952 B16R1.956 O=C(CCO)CC(=O)Nc1cccc(c1)Cl 1458a_100011216618_100000182995 [0,1,0,0,0,1|2,0,0]=4 4953 B16R1.956 O=C(CCO)CC(=O)Nc1cccc(c1)F 1458a_100011216618_100000183335 [0,1,0,0,0,1|2,0,0]=4 4954 B16R1.956 O=C(CCO)CC(=O)Nc1cccc(c1)O 1458a_100011216618_100011236192 [0,1,0,0,0,1|2,0,0]=4 4955 B16R1.1497 C#CCCC(=O)CC(=O)Cc1ccccc1 1458a_100000692101_100000233483 [0,1,0,0,0,1|1,0,1]=4 4956 B16R1.1497 C#CCCC(=O)CC(=O)Nc1ccccc1 1458a_100000692101_100000182850 [0,1,0,0,0,1|1,0,1]=4 4957 B16R1.1497 C#CCCC(=O)CC(=O)Oc1ccccc1 1458a_100000692101_100009813826 [0,1,0,0,0,1|1,0,1]=4 4958 B16R1.1497 C#CCNC(=O)CC(=O)Oc1ccccc1 240690a_100000212058_200000075362 [0,1,0,0,0,1|1,0,1]=4 4959 B16R1.1497 C=C(CC(=O)C[n+]1ccccc1)OCOC 1458a_200000086051_100000042856 [0,1,0,0,0,1|2,0,0]=4 4960 B16R1.1497 C=C(CC(=O)Cc1ccccn1)OCOC 1458a_100000233486_100000042856 [0,1,0,0,0,1|2,0,0]=4 4961 B16R1.1497 C=C(CC(=O)Cc1cccnc1)OCOC 1458a_100000737805_100000042856 [0,1,0,0,0,1|2,0,0]=4 4962 B16R1.1497 C=CCCC(=O)CC(=O)Cc1ccccc1 1458a_100000749702_100000233483 [0,1,0,0,0,1|1,0,1]=4 4963 B16R1.1497 C=CCCC(=O)CC(=O)Nc1ccccc1 1458a_100000749702_100000182850 [0,1,0,0,0,1|1,0,1]=4 4964 B16R1.1497 C=CCCC(=O)CC(=O)Oc1ccccc1 1458a_100000749702_100009813826 [0,1,0,0,0,1|1,0,1]=4 4965 B16R1.1497 C=CCNC(=O)CC(=O)Oc1ccccc1 240690a_100020586998_200000075362 [0,1,0,0,0,1|1,0,1]=4 4966 B16R1.1497 C=CCOC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000033060 [0,1,0,0,0,1|1,0,1]=4 4967 B16R1.1497 C=CCOC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000033060 [0,1,0,0,0,1|1,0,1]=4 4968 B16R1.1497 C=CCOC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000033060 [0,1,0,0,0,1|1,0,1]=4 4969 B16R1.1497 CC=CCC(=O)CC(=O)Cc1ccccc1 1458a_100121576822_100000233483 [0,1,0,0,0,1|1,0,1]=4 4970 B16R1.1497 CC=CCC(=O)CC(=O)Nc1ccccc1 1458a_100121576822_100000182850 [0,1,0,0,0,1|1,0,1]=4 4971 B16R1.1497 CC=CCC(=O)CC(=O)Oc1ccccc1 1458a_100121576822_100009813826 [0,1,0,0,0,1|1,0,1]=4 4972 B16R1.1497 CCC#CC(=O)CC(=O)Cc1ccccc1 1458a_100011827653_100000233483 [0,1,0,0,0,1|1,0,0]=3 4973 B16R1.1497 CCC#CC(=O)CC(=O)Nc1ccccc1 1458a_100011827653_100000182850 [0,1,0,0,0,1|1,0,0]=3 4974 B16R1.1497 CCC#CC(=O)CC(=O)Nc1ccccn1 1458a_100011827653_100020662008 [0,1,0,0,0,1|2,0,0]=4 4975 B16R1.1497 CCC#CC(=O)CC(=O)Nc1ccncc1 1458a_100011827653_100000754145 [0,1,0,0,0,1|2,0,0]=4 4976 B16R1.1497 CCC#CC(=O)CC(=O)Oc1ccccc1 1458a_100011827653_100009813826 [0,1,0,0,0,1|1,0,0]=3 4977 B16R1.1497 CCC=CC(=O)CC(=O)Cc1ccccc1 1458a_100000212282_100000233483 [0,1,0,0,0,1|1,0,0]=3 4978 B16R1.1497 CCC=CC(=O)CC(=O)Nc1ccccc1 1458a_100000212282_100000182850 [0,1,0,0,0,1|1,0,0]=3 4979 B16R1.1497 CCC=CC(=O)CC(=O)Nc1ccccn1 1458a_100000212282_100020662008 [0,1,0,0,0,1|2,0,0]=4 4980 B16R1.1497 CCC=CC(=O)CC(=O)Nc1ccncc1 1458a_100000212282_100000754145 [0,1,0,0,0,1|2,0,0]=4 4981 B16R1.1497 CCC=CC(=O)CC(=O)Oc1ccccc1 1458a_100000212282_100009813826 [0,1,0,0,0,1|1,0,0]=3 4982 B16R1.1497 CCCCC(=O)CC(=O)Cc1ccccc1 1458a_100000210183_100000233483 [0,1,0,0,0,1|1,0,0]=3 4983 B16R1.1497 CCCCC(=O)CC(=O)Nc1ccccc1 1458a_100000210183_100000182850 [0,1,0,0,0,1|1,0,0]=3 4984 B16R1.1497 CCCCC(=O)CC(=O)Nc1ccccn1 1458a_100000210183_100020662008 [0,1,0,0,0,1|2,0,0]=4 4985 B16R1.1497 CCCCC(=O)CC(=O)Nc1ccncc1 1458a_100000210183_100000754145 [0,1,0,0,0,1|2,0,0]=4 4986 B16R1.1497 CCCCC(=O)CC(=O)Oc1ccccc1 1458a_100000210183_100009813826 [0,1,0,0,0,1|1,0,0]=3 4987 B16R1.1497 CCCNC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000183358 [0,1,0,0,0,1|2,0,0]=4 4988 B16R1.1497 CCCNC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000183358 [0,1,0,0,0,1|2,0,0]=4 4989 B16R1.1497 CCCNC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000183358 [0,1,0,0,0,1|2,0,0]=4 4990 B16R1.1497 CCCNC(=O)CC(=O)Oc1ccccc1 240690a_100020643023_200000075362 [0,1,0,0,0,1|1,0,0]=3 4991 B16R1.1497 CCCOC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_200011215008 [0,1,0,0,0,1|1,0,0]=3 4992 B16R1.1497 CCCOC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_200011215008 [0,1,0,0,0,1|1,0,0]=3 4993 B16R1.1497 CCCOC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_200011215008 [0,1,0,0,0,1|1,0,0]=3 4994 B16R1.1497 CCCOC(=O)CC(=O)Cc1cncnc1 1458a_100000721575_200011215008 [0,1,0,0,0,1|2,0,0]=4 4995 B16R1.1497 CCCOC(=O)CN(C)Cc1ccccc1 2230a_100000186898_200011215008 [0,1,0,0,0,1|2,0,0]=4 4996 B16R1.1497 CCCOC(=O)CN(C)Cc1ccccc1 269982a_100000186898_200011215008 [0,1,0,0,0,1|2,0,0]=4 4997 B16R1.1497 CCNCC(=O)NC(=O)Cc1ccccc1 2230a_100015525214_100000010274 [0,1,0,0,0,1|2,0,0]=4 4998 B16R1.1497 CCNCC(=O)NC(=O)Nc1ccccc1 2230a_100015525214_100000206019 [0,1,0,0,0,1|2,0,0]=4 4999 B16R1.1497 CCOCC(=O)CC(=O)Cc1ccccc1 1458a_100000211967_100000233483 [0,1,0,0,0,1|0,0,0]=2 5000 B16R1.1497 CCOCC(=O)CC(=O)Nc1ccccc1 1458a_100000211967_100000182850 [0,1,0,0,0,1|0,0,0]=2 5001 B16R1.1497 CCOCC(=O)CC(=O)Nc1ccccn1 1458a_100000211967_100020662008 [0,1,0,0,0,1|1,0,0]=3 5002 B16R1.1497 CCOCC(=O)CC(=O)Nc1ccncc1 1458a_100000211967_100000754145 [0,1,0,0,0,1|1,0,0]=3 5003 B16R1.1497 CCOCC(=O)CC(=O)Nc1ncccn1 1458a_100000211967_100000183248 [0,1,0,0,0,1|2,0,0]=4 5004 B16R1.1497 CCOCC(=O)CC(=O)Oc1ccccc1 1458a_100000211967_100009813826 [0,1,0,0,0,1|0,0,0]=2 5005 B16R1.1497 CCSCC(=O)CC(=O)Cc1ccccc1 1458a_100000230394_100000233483 [0,1,0,0,0,1|0,1,0]=3 5006 B16R1.1497 CCSCC(=O)CC(=O)Nc1ccccc1 1458a_100000230394_100000182850 [0,1,0,0,0,1|0,1,0]=3 5007 B16R1.1497 CCSCC(=O)CC(=O)Nc1ccccn1 1458a_100000230394_100020662008 [0,1,0,0,0,1|1,1,0]=4 5008 B16R1.1497 CCSCC(=O)CC(=O)Nc1ccncc1 1458a_100000230394_100000754145 [0,1,0,0,0,1|1,1,0]=4 5009 B16R1.1497 CCSCC(=O)CC(=O)Oc1ccccc1 1458a_100000230394_100009813826 [0,1,0,0,0,1|0,1,0]=3 5010 B16R1.1497 CCSCC(=O)NC(=O)Cc1ccccc1 62a_100000210202_100000010274 [0,1,0,0,0,1|1,1,0]=4 5011 B16R1.1497 CCSCC(=O)NC(=O)Nc1ccccc1 62a_100000210202_100000206019 [0,1,0,0,0,1|1,1,0]=4 5012 B16R1.1497 COC=CC(=O)CC(=O)Cc1ccccc1 1458a_100016268678_100000233483 [0,1,0,0,0,1|1,0,1]=4 5013 B16R1.1497 COC=CC(=O)CC(=O)Nc1ccccc1 1458a_100016268678_100000182850 [0,1,0,0,0,1|1,0,1]=4 5014 B16R1.1497 COC=CC(=O)CC(=O)Oc1ccccc1 1458a_100016268678_100009813826 [0,1,0,0,0,1|1,0,1]=4 5015 B16R1.1497 COCCC(=O)CC(=O)Cc1ccccc1 1458a_100000749529_100000233483 [0,1,0,0,0,1|1,0,0]=3 5016 B16R1.1497 COCCC(=O)CC(=O)Nc1ccccc1 1458a_100000749529_100000182850 [0,1,0,0,0,1|1,0,0]=3 5017 B16R1.1497 COCCC(=O)CC(=O)Nc1ccccn1 1458a_100000749529_100020662008 [0,1,0,0,0,1|2,0,0]=4 5018 B16R1.1497 COCCC(=O)CC(=O)Nc1ccncc1 1458a_100000749529_100000754145 [0,1,0,0,0,1|2,0,0]=4 5019 B16R1.1497 COCCC(=O)CC(=O)Oc1ccccc1 1458a_100000749529_100009813826 [0,1,0,0,0,1|1,0,0]=3 5020 B16R1.1497 CSCCC(=O)CC(=O)Cc1ccccc1 1458a_100000174002_100000233483 [0,1,0,0,0,1|1,0,0]=3 5021 B16R1.1497 CSCCC(=O)CC(=O)Nc1ccccc1 1458a_100000174002_100000182850 [0,1,0,0,0,1|1,0,0]=3 5022 B16R1.1497 CSCCC(=O)CC(=O)Nc1ccccn1 1458a_100000174002_100020662008 [0,1,0,0,0,1|2,0,0]=4 5023 B16R1.1497 CSCCC(=O)CC(=O)Nc1ccncc1 1458a_100000174002_100000754145 [0,1,0,0,0,1|2,0,0]=4 5024 B16R1.1497 CSCCC(=O)CC(=O)Oc1ccccc1 1458a_100000174002_100009813826 [0,1,0,0,0,1|1,0,0]=3 5025 B16R1.1497 N#CCCC(=O)CC(=O)Cc1ccccc1 1458a_100011934036_100000233483 [0,1,0,0,0,1|1,0,1]=4 5026 B16R1.1497 N#CCCC(=O)CC(=O)Nc1ccccc1 1458a_100011934036_100000182850 [0,1,0,0,0,1|1,0,1]=4 5027 B16R1.1497 N#CCCC(=O)CC(=O)Oc1ccccc1 1458a_100011934036_100009813826 [0,1,0,0,0,1|1,0,1]=4 5028 B16R1.1497 O=C(C#CCO)CC(=O)Cc1ccccc1 1458a_100000049017_100000233483 [0,1,0,0,0,1|1,0,1]=4 5029 B16R1.1497 O=C(C#CCO)CC(=O)Nc1ccccc1 1458a_100000049017_100000182850 [0,1,0,0,0,1|1,0,1]=4 5030 B16R1.1497 O=C(C#CCO)CC(=O)Oc1ccccc1 1458a_100000049017_100009813826 [0,1,0,0,0,1|1,0,1]=4 5031 B16R1.1497 O=C(CC(=O)Oc1ccccc1)NCCF 240690a_100000724931_200000075362 [0,1,0,0,0,1|1,0,0]=3 5032 B16R1.1497 O=C(CC(=O)Oc1ccccc1)NCCO 240690a_100000210304_200000075362 [0,1,0,0,0,1|1,0,0]=3 5033 B16R1.1660 C/C=C(\C)/C(=O)CC(=O)Cc1ccccc1 1458a_100020587367_100000233483 [0,1,0,0,0,1|1,0,1]=4 5034 B16R1.1660 C/C=C(\C)/C(=O)CC(=O)Nc1ccccc1 1458a_100020587367_100000182850 [0,1,0,0,0,1|1,0,1]=4 5035 B16R1.1660 C/C=C(\C)/C(=O)CC(=O)Oc1ccccc1 1458a_100020587367_100009813826 [0,1,0,0,0,1|1,0,1]=4 5036 B16R1.1660 CCC(C)C(=O)CC(=O)Cc1ccccc1 1458a_100011192722_100000233483 [0,1,0,0,0,1|1,0,0]=3 5037 B16R1.1660 CCC(C)C(=O)CC(=O)Nc1ccccc1 1458a_100011192722_100000182850 [0,1,0,0,0,1|1,0,0]=3 5038 B16R1.1660 CCC(C)C(=O)CC(=O)Nc1ccccn1 1458a_100011192722_100020662008 [0,1,0,0,0,1|2,0,0]=4 5039 B16R1.1660 CCC(C)C(=O)CC(=O)Nc1ccncc1 1458a_100011192722_100000754145 [0,1,0,0,0,1|2,0,0]=4 5040 B16R1.1660 CCC(C)C(=O)CC(=O)Oc1ccccc1 1458a_100011192722_100009813826 [0,1,0,0,0,1|1,0,0]=3 5041 B16R1.1660 CCC(O)C(=O)CC(=O)Cc1ccccc1 1458a_100011196387_100000233483 [0,1,0,0,0,1|1,0,0]=3 5042 B16R1.1660 CCC(O)C(=O)CC(=O)Nc1ccccc1 1458a_100011196387_100000182850 [0,1,0,0,0,1|1,0,0]=3 5043 B16R1.1660 CCC(O)C(=O)CC(=O)Nc1ccccn1 1458a_100011196387_100020662008 [0,1,0,0,0,1|2,0,0]=4 5044 B16R1.1660 CCC(O)C(=O)CC(=O)Nc1ccncc1 1458a_100011196387_100000754145 [0,1,0,0,0,1|2,0,0]=4 5045 B16R1.1660 CCC(O)C(=O)CC(=O)Oc1ccccc1 1458a_100011196387_100009813826 [0,1,0,0,0,1|1,0,0]=3 5046 B16R1.1660 CCN(C)C(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100011894763 [0,1,0,0,0,1|2,0,0]=4 5047 B16R1.1660 CCN(C)C(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100011894763 [0,1,0,0,0,1|2,0,0]=4 5048 B16R1.1660 CCN(C)C(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100011894763 [0,1,0,0,0,1|2,0,0]=4 5049 B16R1.1660 CCN(C)C(=O)CC(=O)Oc1ccccc1 240690a_100000225621_200000075362 [0,1,0,0,0,1|1,0,0]=3 5050 B16R1.1660 CNC(=O)C(=O)CC(=O)Cc1ccccc1 1458a_100011218921_100000233483 [0,1,0,0,0,1|2,0,0]=4 5051 B16R1.1660 CNC(=O)C(=O)CC(=O)Nc1ccccc1 1458a_100011218921_100000182850 [0,1,0,0,0,1|2,0,0]=4 5052 B16R1.1660 CNC(=O)C(=O)CC(=O)Oc1ccccc1 1458a_100011218921_100009813826 [0,1,0,0,0,1|2,0,0]=4 5053 B16R1.1660 COC(C)C(=O)CC(=O)Cc1ccccc1 1458a_100000743197_100000233483 [0,1,0,0,0,1|2,0,0]=4 5054 B16R1.1660 COC(C)C(=O)CC(=O)Nc1ccccc1 1458a_100000743197_100000182850 [0,1,0,0,0,1|2,0,0]=4 5055 B16R1.1660 COC(C)C(=O)CC(=O)Oc1ccccc1 1458a_100000743197_100009813826 [0,1,0,0,0,1|2,0,0]=4 5056 B16R1.1660 CSC(C)C(=O)CC(=O)Cc1ccccc1 1458a_100000149566_100000233483 [0,1,0,0,0,1|2,0,0]=4 5057 B16R1.1660 CSC(C)C(=O)CC(=O)Nc1ccccc1 1458a_100000149566_100000182850 [0,1,0,0,0,1|2,0,0]=4 5058 B16R1.1660 CSC(C)C(=O)CC(=O)Oc1ccccc1 1458a_100000149566_100009813826 [0,1,0,0,0,1|2,0,0]=4 5059 B16R1.1660 O=C(CC(=O)C(O)CO)Cc1ccccc1 1458a_100011215603_100000233483 [0,1,0,0,0,1|2,0,0]=4 5060 B16R1.1660 O=C(CC(=O)C(O)CO)Nc1ccccc1 1458a_100011215603_100000182850 [0,1,0,0,0,1|2,0,0]=4 5061 B16R1.1660 O=C(CC(=O)C(O)CO)Oc1ccccc1 1458a_100011215603_100009813826 [0,1,0,0,0,1|2,0,0]=4 5062 B16R1.4235 C=C(CCC)CC(=O)Cc1ccccc1Br 1458a_100000138376_100000184730 [0,1,0,0,0,1|2,0,0]=4 5063 B16R1.4235 C=C(CCC)CC(=O)Cc1ccccc1C 1458a_100000138376_100000211839 [0,1,0,0,0,1|2,0,0]=4 5064 B16R1.4235 C=C(CCC)CC(=O)Cc1ccccc1Cl 1458a_100000138376_100000187162 [0,1,0,0,0,1|2,0,0]=4 5065 B16R1.4235 C=C(CCC)CC(=O)Cc1ccccc1F 1458a_100000138376_100000187165 [0,1,0,0,0,1|2,0,0]=4 5066 B16R1.4235 C=C(CCC)CC(=O)Cc1ccccc1I 1458a_100000138376_100011216222 [0,1,0,0,0,1|2,0,0]=4 5067 B16R1.4235 C=C(CCC)CC(=O)Nc1ccccc1Br 11a_100000210017_100000138376 [0,1,0,0,0,1|2,0,0]=4 5068 B16R1.4235 C=C(CCC)CC(=O)Nc1ccccc1C 11a_100015192222_100000138376 [0,1,0,0,0,1|2,0,0]=4 5069 B16R1.4235 C=C(CCC)CC(=O)Nc1ccccc1C 22a_100015192222_100000138376 [0,1,0,0,0,1|2,0,0]=4 5070 B16R1.4235 C=C(CCC)CC(=O)Nc1ccccc1C 527a_100015192222_100000138376 [0,1,0,0,0,1|2,0,0]=4 5071 B16R1.4235 C=C(CCC)CC(=O)Nc1ccccc1Cl 11a_100000185783_100000138376 [0,1,0,0,0,1|2,0,0]=4 5072 B16R1.4235 C=C(CCC)CC(=O)Nc1ccccc1Cl 22a_100000185783_100000138376 [0,1,0,0,0,1|2,0,0]=4 5073 B16R1.4235 C=C(CCC)CC(=O)Nc1ccccc1Cl 527a_100000185783_100000138376 [0,1,0,0,0,1|2,0,0]=4 5074 B16R1.4235 C=C(CCC)CC(=O)Nc1ccccc1F 11a_100000210422_100000138376 [0,1,0,0,0,1|2,0,0]=4 5075 B16R1.4235 C=C(CCC)CC(=O)Nc1ccccc1F 22a_100000210422_100000138376 [0,1,0,0,0,1|2,0,0]=4 5076 B16R1.4235 C=C(CCC)CC(=O)Nc1ccccc1F 527a_100000210422_100000138376 [0,1,0,0,0,1|2,0,0]=4 5077 B16R1.4235 C=C(CCC)CC(=O)Nc1ccccc1I 11a_100000210053_100000138376 [0,1,0,0,0,1|2,0,0]=4 5078 B16R1.4235 C=C(CCC)CC(=O)Nc1ccccc1O 22a_100000185747_100000138376 [0,1,0,0,0,1|2,0,0]=4 5079 B16R1.4235 C=C(CCC)CC(=O)Nc1ccccc1O 527a_100000185747_100000138376 [0,1,0,0,0,1|2,0,0]=4 5080 B16R1.4235 C=COC(=O)CC(=O)Cc1ccccc1Br 1458a_100000751119_100000036128 [0,1,0,0,0,1|0,0,2]=4 5081 B16R1.4235 C=COC(=O)CC(=O)Cc1ccccc1C 1458a_100000212180_100000036128 [0,1,0,0,0,1|0,0,2]=4 5082 B16R1.4235 C=COC(=O)CC(=O)Cc1ccccc1Cl 1458a_100000183793_100000036128 [0,1,0,0,0,1|0,0,2]=4 5083 B16R1.4235 C=COC(=O)CC(=O)Cc1ccccc1F 1458a_100000212012_100000036128 [0,1,0,0,0,1|0,0,2]=4 5084 B16R1.4235 C=COC(=O)CC(=O)Cc1ccccc1I 1458a_100000036491_100000036128 [0,1,0,0,0,1|0,0,2]=4 5085 B16R1.4235 C=COC(=O)CC(=O)Cc1ccccc1O 1458a_100000743006_100000036128 [0,1,0,0,0,1|0,0,2]=4 5086 B16R1.4235 CC#CC(=O)CC(=O)Cc1ccccc1Br 1458a_100000763181_100000700504 [0,1,0,0,0,1|1,0,1]=4 5087 B16R1.4235 CC#CC(=O)CC(=O)Cc1ccccc1C 1458a_100000763181_100011223134 [0,1,0,0,0,1|1,0,1]=4 5088 B16R1.4235 CC#CC(=O)CC(=O)Nc1ccccc1Br 1458a_100000763181_100000182372 [0,1,0,0,0,1|1,0,1]=4 5089 B16R1.4235 CC#CC(=O)CC(=O)Nc1ccccc1C 1458a_100000763181_100000183529 [0,1,0,0,0,1|1,0,1]=4 5090 B16R1.4235 CC#CC(=O)CC(=O)Nc1ccccc1Cl 1458a_100000763181_100000182448 [0,1,0,0,0,1|1,0,1]=4 5091 B16R1.4235 CC#CC(=O)CC(=O)Nc1ccccc1F 1458a_100000763181_100000182988 [0,1,0,0,0,1|1,0,1]=4 5092 B16R1.4235 CC#CC(=O)CC(=O)Nc1ccccc1I 1458a_100000763181_100000180142 [0,1,0,0,0,1|1,0,1]=4 5093 B16R1.4235 CC#CC(=O)CC(=O)Nc1ccccc1O 1458a_100000763181_100000014494 [0,1,0,0,0,1|1,0,1]=4 5094 B16R1.4235 CC=CC(=O)CC(=O)Cc1ccccc1Br 1458a_100000210699_100000700504 [0,1,0,0,0,1|1,0,1]=4 5095 B16R1.4235 CC=CC(=O)CC(=O)Cc1ccccc1C 1458a_100000210699_100011223134 [0,1,0,0,0,1|1,0,1]=4 5096 B16R1.4235 CC=CC(=O)CC(=O)Nc1ccccc1Br 1458a_100000210699_100000182372 [0,1,0,0,0,1|1,0,1]=4 5097 B16R1.4235 CC=CC(=O)CC(=O)Nc1ccccc1C 1458a_100000210699_100000183529 [0,1,0,0,0,1|1,0,1]=4 5098 B16R1.4235 CC=CC(=O)CC(=O)Nc1ccccc1Cl 1458a_100000210699_100000182448 [0,1,0,0,0,1|1,0,1]=4 5099 B16R1.4235 CC=CC(=O)CC(=O)Nc1ccccc1F 1458a_100000210699_100000182988 [0,1,0,0,0,1|1,0,1]=4 5100 B16R1.4235 CC=CC(=O)CC(=O)Nc1ccccc1I 1458a_100000210699_100000180142 [0,1,0,0,0,1|1,0,1]=4 5101 B16R1.4235 CC=CC(=O)CC(=O)Nc1ccccc1O 1458a_100000210699_100000014494 [0,1,0,0,0,1|1,0,1]=4 5102 B16R1.4235 CCCC(=O)CC(=O)Cc1ccccc1Br 1458a_100000211992_100000700504 [0,1,0,0,0,1|1,0,0]=3 5103 B16R1.4235 CCCC(=O)CC(=O)Cc1ccccc1Br 1458a_100000751119_100000747444 [0,1,0,0,0,1|1,0,0]=3 5104 B16R1.4235 CCCC(=O)CC(=O)Cc1ccccc1C 1458a_100000211992_100011223134 [0,1,0,0,0,1|1,0,0]=3 5105 B16R1.4235 CCCC(=O)CC(=O)Cc1ccccc1C 1458a_100000212180_100000747444 [0,1,0,0,0,1|1,0,0]=3 5106 B16R1.4235 CCCC(=O)CC(=O)Cc1ccccc1Cl 1458a_100000183793_100000747444 [0,1,0,0,0,1|1,0,0]=3 5107 B16R1.4235 CCCC(=O)CC(=O)Cc1ccccc1F 1458a_100000212012_100000747444 [0,1,0,0,0,1|1,0,0]=3 5108 B16R1.4235 CCCC(=O)CC(=O)Cc1ccccc1I 1458a_100000036491_100000747444 [0,1,0,0,0,1|1,0,0]=3 5109 B16R1.4235 CCCC(=O)CC(=O)Cc1ccccc1O 1458a_100000743006_100000747444 [0,1,0,0,0,1|1,0,0]=3 5110 B16R1.4235 CCCC(=O)CC(=O)Cc1cccnc1Cl 1458a_100000093521_100000747444 [0,1,0,0,0,1|2,0,0]=4 5111 B16R1.4235 CCCC(=O)CC(=O)Cc1ncccc1Br 1458a_200012357574_100000747444 [0,1,0,0,0,1|2,0,0]=4 5112 B16R1.4235 CCCC(=O)CC(=O)Cc1ncccc1C 1458a_200000722269_100000747444 [0,1,0,0,0,1|2,0,0]=4 5113 B16R1.4235 CCCC(=O)CC(=O)Cc1ncccc1Cl 1458a_100011998755_100000747444 [0,1,0,0,0,1|2,0,0]=4 5114 B16R1.4235 CCCC(=O)CC(=O)Cn1ccccc1=O 1458a_100000189665_100000747444 [0,1,0,0,0,1|2,0,0]=4 5115 B16R1.4235 CCCC(=O)CC(=O)Nc1ccccc1Br 1458a_100000211992_100000182372 [0,1,0,0,0,1|1,0,0]=3 5116 B16R1.4235 CCCC(=O)CC(=O)Nc1ccccc1C 1458a_100000211992_100000183529 [0,1,0,0,0,1|1,0,0]=3 5117 B16R1.4235 CCCC(=O)CC(=O)Nc1ccccc1Cl 1458a_100000211992_100000182448 [0,1,0,0,0,1|1,0,0]=3 5118 B16R1.4235 CCCC(=O)CC(=O)Nc1ccccc1F 1458a_100000211992_100000182988 [0,1,0,0,0,1|1,0,0]=3 5119 B16R1.4235 CCCC(=O)CC(=O)Nc1ccccc1I 1458a_100000211992_100000180142 [0,1,0,0,0,1|1,0,0]=3 5120 B16R1.4235 CCCC(=O)CC(=O)Nc1ccccc1O 1458a_100000211992_100000014494 [0,1,0,0,0,1|1,0,0]=3 5121 B16R1.4235 CCCS(=O)CC(=O)Cc1ccccc1Br 1458a_100011387404_100000184730 [0,1,0,0,0,1|2,0,0]=4 5122 B16R1.4235 CCCS(=O)CC(=O)Cc1ccccc1C 1458a_100011387404_100000211839 [0,1,0,0,0,1|2,0,0]=4 5123 B16R1.4235 CCCS(=O)CC(=O)Cc1ccccc1Cl 1458a_100011387404_100000187162 [0,1,0,0,0,1|2,0,0]=4 5124 B16R1.4235 CCCS(=O)CC(=O)Cc1ccccc1F 1458a_100011387404_100000187165 [0,1,0,0,0,1|2,0,0]=4 5125 B16R1.4235 CCCS(=O)CC(=O)Cc1ccccc1I 1458a_100011387404_100011216222 [0,1,0,0,0,1|2,0,0]=4 5126 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1Br 11a_100000210017_100011387404 [0,1,0,0,0,1|2,0,0]=4 5127 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1Br 1626a_100000210017_100011387404 [0,1,0,0,0,1|2,0,0]=4 5128 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1C 11a_100015192222_100011387404 [0,1,0,0,0,1|2,0,0]=4 5129 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1C 1626a_100015192222_100011387404 [0,1,0,0,0,1|2,0,0]=4 5130 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1C 22a_100015192222_100011387404 [0,1,0,0,0,1|2,0,0]=4 5131 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1C 527a_100015192222_100011387404 [0,1,0,0,0,1|2,0,0]=4 5132 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1Cl 11a_100000185783_100011387404 [0,1,0,0,0,1|2,0,0]=4 5133 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1Cl 1626a_100000185783_100011387404 [0,1,0,0,0,1|2,0,0]=4 5134 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1Cl 22a_100000185783_100011387404 [0,1,0,0,0,1|2,0,0]=4 5135 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1Cl 527a_100000185783_100011387404 [0,1,0,0,0,1|2,0,0]=4 5136 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1F 11a_100000210422_100011387404 [0,1,0,0,0,1|2,0,0]=4 5137 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1F 1626a_100000210422_100011387404 [0,1,0,0,0,1|2,0,0]=4 5138 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1F 22a_100000210422_100011387404 [0,1,0,0,0,1|2,0,0]=4 5139 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1F 527a_100000210422_100011387404 [0,1,0,0,0,1|2,0,0]=4 5140 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1I 11a_100000210053_100011387404 [0,1,0,0,0,1|2,0,0]=4 5141 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1I 1626a_100000210053_100011387404 [0,1,0,0,0,1|2,0,0]=4 5142 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1O 22a_100000185747_100011387404 [0,1,0,0,0,1|2,0,0]=4 5143 B16R1.4235 CCCS(=O)CC(=O)Nc1ccccc1O 527a_100000185747_100011387404 [0,1,0,0,0,1|2,0,0]=4 5144 B16R1.4235 CCNC(=O)CC(=O)Cc1ccccc1Br 1458a_100000751119_100000183381 [0,1,0,0,0,1|1,0,0]=3 5145 B16R1.4235 CCNC(=O)CC(=O)Cc1ccccc1C 1458a_100000212180_100000183381 [0,1,0,0,0,1|1,0,0]=3 5146 B16R1.4235 CCNC(=O)CC(=O)Cc1ccccc1Cl 1458a_100000183793_100000183381 [0,1,0,0,0,1|1,0,0]=3 5147 B16R1.4235 CCNC(=O)CC(=O)Cc1ccccc1F 1458a_100000212012_100000183381 [0,1,0,0,0,1|1,0,0]=3 5148 B16R1.4235 CCNC(=O)CC(=O)Cc1ccccc1I 1458a_100000036491_100000183381 [0,1,0,0,0,1|1,0,0]=3 5149 B16R1.4235 CCNC(=O)CC(=O)Cc1ccccc1O 1458a_100000743006_100000183381 [0,1,0,0,0,1|1,0,0]=3 5150 B16R1.4235 CCNC(=O)CC(=O)Cc1cccnc1Cl 1458a_100000093521_100000183381 [0,1,0,0,0,1|2,0,0]=4 5151 B16R1.4235 CCNC(=O)CC(=O)Cc1ncccc1Br 1458a_200012357574_100000183381 [0,1,0,0,0,1|2,0,0]=4 5152 B16R1.4235 CCNC(=O)CC(=O)Cc1ncccc1C 1458a_200000722269_100000183381 [0,1,0,0,0,1|2,0,0]=4 5153 B16R1.4235 CCNC(=O)CC(=O)Cc1ncccc1Cl 1458a_100011998755_100000183381 [0,1,0,0,0,1|2,0,0]=4 5154 B16R1.4235 CCNC(=O)CC(=O)Cn1ccccc1=O 1458a_100000189665_100000183381 [0,1,0,0,0,1|2,0,0]=4 5155 B16R1.4235 CCOC(=O)CC(=O)Cc1ccccc1Br 1458a_100000243816_100000184730 [0,1,0,0,0,1|0,0,0]=2 5156 B16R1.4235 CCOC(=O)CC(=O)Cc1ccccc1Br 1458a_100000751119_100000188475 [0,1,0,0,0,1|0,0,0]=2 5157 B16R1.4235 CCOC(=O)CC(=O)Cc1ccccc1C 1458a_100000212180_100000188475 [0,1,0,0,0,1|0,0,0]=2 5158 B16R1.4235 CCOC(=O)CC(=O)Cc1ccccc1C 1458a_100000243816_100000211839 [0,1,0,0,0,1|0,0,0]=2 5159 B16R1.4235 CCOC(=O)CC(=O)Cc1ccccc1Cl 1458a_100000183793_100000188475 [0,1,0,0,0,1|0,0,0]=2 5160 B16R1.4235 CCOC(=O)CC(=O)Cc1ccccc1Cl 1458a_100000243816_100000187162 [0,1,0,0,0,1|0,0,0]=2 5161 B16R1.4235 CCOC(=O)CC(=O)Cc1ccccc1F 1458a_100000212012_100000188475 [0,1,0,0,0,1|0,0,0]=2 5162 B16R1.4235 CCOC(=O)CC(=O)Cc1ccccc1F 1458a_100000243816_100000187165 [0,1,0,0,0,1|0,0,0]=2 5163 B16R1.4235 CCOC(=O)CC(=O)Cc1ccccc1I 1458a_100000036491_100000188475 [0,1,0,0,0,1|0,0,0]=2 5164 B16R1.4235 CCOC(=O)CC(=O)Cc1ccccc1I 1458a_100000243816_100011216222 [0,1,0,0,0,1|0,0,0]=2 5165 B16R1.4235 CCOC(=O)CC(=O)Cc1ccccc1O 1458a_100000743006_100000188475 [0,1,0,0,0,1|0,0,0]=2 5166 B16R1.4235 CCOC(=O)CC(=O)Cc1cccnc1Br 1458a_100000243816_100010140945 [0,1,0,0,0,1|1,0,0]=3 5167 B16R1.4235 CCOC(=O)CC(=O)Cc1cccnc1C 1458a_100000243816_100000732876 [0,1,0,0,0,1|1,0,0]=3 5168 B16R1.4235 CCOC(=O)CC(=O)Cc1cccnc1Cl 1458a_100000093521_100000188475 [0,1,0,0,0,1|1,0,0]=3 5169 B16R1.4235 CCOC(=O)CC(=O)Cc1cccnc1Cl 1458a_100000243816_100000045678 [0,1,0,0,0,1|1,0,0]=3 5170 B16R1.4235 CCOC(=O)CC(=O)Cc1cccnc1F 1458a_100000243816_100000099810 [0,1,0,0,0,1|1,0,0]=3 5171 B16R1.4235 CCOC(=O)CC(=O)Cc1ccncc1C 1458a_100000243816_100020672808 [0,1,0,0,0,1|1,0,0]=3 5172 B16R1.4235 CCOC(=O)CC(=O)Cc1ccncc1Cl 1458a_100000243816_100000763264 [0,1,0,0,0,1|1,0,0]=3 5173 B16R1.4235 CCOC(=O)CC(=O)Cc1cnccc1C 1458a_100000243816_100000690890 [0,1,0,0,0,1|1,0,0]=3 5174 B16R1.4235 CCOC(=O)CC(=O)Cc1ncccc1Br 1458a_100000243816_100025702911 [0,1,0,0,0,1|1,0,0]=3 5175 B16R1.4235 CCOC(=O)CC(=O)Cc1ncccc1Br 1458a_200012357574_100000188475 [0,1,0,0,0,1|1,0,0]=3 5176 B16R1.4235 CCOC(=O)CC(=O)Cc1ncccc1C 1458a_100000243816_100000696600 [0,1,0,0,0,1|1,0,0]=3 5177 B16R1.4235 CCOC(=O)CC(=O)Cc1ncccc1C 1458a_200000722269_100000188475 [0,1,0,0,0,1|1,0,0]=3 5178 B16R1.4235 CCOC(=O)CC(=O)Cc1ncccc1Cl 1458a_100000243816_100000099807 [0,1,0,0,0,1|1,0,0]=3 5179 B16R1.4235 CCOC(=O)CC(=O)Cc1ncccc1Cl 1458a_100011998755_100000188475 [0,1,0,0,0,1|1,0,0]=3 5180 B16R1.4235 CCOC(=O)CC(=O)Cc1ncccc1F 1458a_100000243816_100000104219 [0,1,0,0,0,1|1,0,0]=3 5181 B16R1.4235 CCOC(=O)CC(=O)Cc1ncccc1O 1458a_100000243816_200020655725 [0,1,0,0,0,1|1,0,0]=3 5182 B16R1.4235 CCOC(=O)CC(=O)Cn1ccccc1=O 1458a_100000189665_100000188475 [0,1,0,0,0,1|1,0,0]=3 5183 B16R1.4235 CCOC(=O)CC(=O)Cn1cccnc1=O 1458a_100000738077_100000188475 [0,1,0,0,0,1|2,0,0]=4 5184 B16R1.4235 CCOC(=O)CC(=O)Cn1ncccc1=O 1458a_100000238584_100000188475 [0,1,0,0,0,1|2,0,0]=4 5185 B16R1.4235 CCOC(=O)CC(=O)Nc1ccccc1C 22a_100015192222_100000243816 [0,1,0,0,0,1|0,0,0]=2 5186 B16R1.4235 CCOC(=O)CC(=O)Nc1ccccc1Cl 22a_100000185783_100000243816 [0,1,0,0,0,1|0,0,0]=2 5187 B16R1.4235 CCOC(=O)CC(=O)Nc1ccccc1F 22a_100000210422_100000243816 [0,1,0,0,0,1|0,0,0]=2 5188 B16R1.4235 CCOC(=O)CC(=O)Nc1ccccc1O 22a_100000185747_100000243816 [0,1,0,0,0,1|0,0,0]=2 5189 B16R1.4235 CCOC(=O)CC(C)Oc1ccccc1Br 7a_100000181306_100009817359 [0,1,0,0,0,1|1,0,1]=4 5190 B16R1.4235 CCOC(=O)CC(C)Oc1ccccc1C 7a_100000210338_100009817359 [0,1,0,0,0,1|1,0,1]=4 5191 B16R1.4235 CCOC(=O)CC(C)Oc1ccccc1Cl 7a_100000210172_100009817359 [0,1,0,0,0,1|1,0,1]=4 5192 B16R1.4235 CCOC(=O)CC(C)Oc1ccccc1F 7a_100000210171_100009817359 [0,1,0,0,0,1|1,0,1]=4 5193 B16R1.4235 CCOC(=O)CC(C)Oc1ccccc1I 7a_100000739446_100009817359 [0,1,0,0,0,1|1,0,1]=4 5194 B16R1.4235 CCOC(=O)CC(C)Oc1ccccc1N 7a_100000185747_100009817359 [0,1,0,0,0,1|1,0,1]=4 5195 B16R1.4235 CCOC(=O)CC(C)Sc1ccccc1Br 62a_100000695589_100009817359 [0,1,0,0,0,1|1,0,1]=4 5196 B16R1.4235 CCOC(=O)CC(C)Sc1ccccc1Br 62a_100009817359_100000695589 [0,1,0,0,0,1|1,0,1]=4 5197 B16R1.4235 CCOC(=O)CC(C)Sc1ccccc1C 62a_100000210755_100009817359 [0,1,0,0,0,1|1,0,1]=4 5198 B16R1.4235 CCOC(=O)CC(C)Sc1ccccc1C 62a_100009817359_100000210755 [0,1,0,0,0,1|1,0,1]=4 5199 B16R1.4235 CCOC(=O)CC(C)Sc1ccccc1Cl 62a_100000764095_100009817359 [0,1,0,0,0,1|1,0,1]=4 5200 B16R1.4235 CCOC(=O)CC(C)Sc1ccccc1Cl 62a_100009817359_100000764095 [0,1,0,0,0,1|1,0,1]=4 5201 B16R1.4235 CCOC(=O)CC(C)Sc1ccccc1F 62a_100009817359_100011215700 [0,1,0,0,0,1|1,0,1]=4 5202 B16R1.4235 CCOC(=O)CC(C)Sc1ccccc1F 62a_100011215700_100009817359 [0,1,0,0,0,1|1,0,1]=4 5203 B16R1.4235 CCOC(=O)CC(C)Sc1ccccc1N 62a_100000210017_100009817359 [0,1,0,0,0,1|1,0,1]=4 5204 B16R1.4235 CCOC(=O)CC(C)Sc1ccccc1N 62a_100009817359_100000210017 [0,1,0,0,0,1|1,0,1]=4 5205 B16R1.4235 CCOC(=O)CC(C)Sc1ccccc1O 62a_100000739446_100009817359 [0,1,0,0,0,1|1,0,1]=4 5206 B16R1.4235 CCOC(=O)CC(C)Sc1ccccc1O 62a_100009817359_100000739446 [0,1,0,0,0,1|1,0,1]=4 5207 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1Br 2230a_100000184654_100000188475 [0,1,0,0,0,1|2,0,0]=4 5208 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1Br 2230a_100000220588_100000184730 [0,1,0,0,0,1|2,0,0]=4 5209 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1Br 269982a_100000184654_100000188475 [0,1,0,0,0,1|2,0,0]=4 5210 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1Br 26a_100000220588_100000181306 [0,1,0,0,0,1|2,0,0]=4 5211 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1Br 270004a_100000220588_100000211189 [0,1,0,0,0,1|2,0,0]=4 5212 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1C 2230a_100000184421_100000188475 [0,1,0,0,0,1|2,0,0]=4 5213 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1C 2230a_100000220588_100000211839 [0,1,0,0,0,1|2,0,0]=4 5214 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1C 269982a_100000184421_100000188475 [0,1,0,0,0,1|2,0,0]=4 5215 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1C 270004a_100000220588_100000211143 [0,1,0,0,0,1|2,0,0]=4 5216 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1Cl 2230a_100000184507_100000188475 [0,1,0,0,0,1|2,0,0]=4 5217 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1Cl 2230a_100000220588_100000187162 [0,1,0,0,0,1|2,0,0]=4 5218 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1Cl 269982a_100000184507_100000188475 [0,1,0,0,0,1|2,0,0]=4 5219 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1Cl 26a_100000220588_100000210172 [0,1,0,0,0,1|2,0,0]=4 5220 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1Cl 270004a_100000220588_100000210073 [0,1,0,0,0,1|2,0,0]=4 5221 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1F 2230a_100000220588_100000211605 [0,1,0,0,0,1|2,0,0]=4 5222 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1F 2230a_100000742528_100000188475 [0,1,0,0,0,1|2,0,0]=4 5223 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1F 269982a_100000742528_100000188475 [0,1,0,0,0,1|2,0,0]=4 5224 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1F 270004a_100000220588_100000210811 [0,1,0,0,0,1|2,0,0]=4 5225 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1F 34a_100000742528_100000188475 [0,1,0,0,0,1|2,0,0]=4 5226 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1I 2230a_100000220588_100011215278 [0,1,0,0,0,1|2,0,0]=4 5227 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1I 270004a_100000220588_100000010305 [0,1,0,0,0,1|2,0,0]=4 5228 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1O 2230a_100015189988_100000188475 [0,1,0,0,0,1|2,0,0]=4 5229 B16R1.4235 CCOC(=O)CN(C)Cc1ccccc1O 269982a_100015189988_100000188475 [0,1,0,0,0,1|2,0,0]=4 5230 B16R1.4235 COCC(=O)CC(=O)Cc1ccccc1Br 1458a_100000210968_100000700504 [0,1,0,0,0,1|2,0,0]=4 5231 B16R1.4235 COCC(=O)CC(=O)Cc1ccccc1C 1458a_100000210968_100011223134 [0,1,0,0,0,1|2,0,0]=4 5232 B16R1.4235 COCC(=O)CC(=O)Nc1ccccc1Br 1458a_100000210968_100000182372 [0,1,0,0,0,1|2,0,0]=4 5233 B16R1.4235 COCC(=O)CC(=O)Nc1ccccc1C 1458a_100000210968_100000183529 [0,1,0,0,0,1|2,0,0]=4 5234 B16R1.4235 COCC(=O)CC(=O)Nc1ccccc1Cl 1458a_100000210968_100000182448 [0,1,0,0,0,1|2,0,0]=4 5235 B16R1.4235 COCC(=O)CC(=O)Nc1ccccc1F 1458a_100000210968_100000182988 [0,1,0,0,0,1|2,0,0]=4 5236 B16R1.4235 COCC(=O)CC(=O)Nc1ccccc1I 1458a_100000210968_100000180142 [0,1,0,0,0,1|2,0,0]=4 5237 B16R1.4235 COCC(=O)CC(=O)Nc1ccccc1O 1458a_100000210968_100000014494 [0,1,0,0,0,1|2,0,0]=4 5238 B16R1.4235 CSCC(=O)CC(=O)Cc1ccccc1Br 1458a_100000184570_100000700504 [0,1,0,0,0,1|2,0,0]=4 5239 B16R1.4235 CSCC(=O)CC(=O)Cc1ccccc1C 1458a_100000184570_100011223134 [0,1,0,0,0,1|2,0,0]=4 5240 B16R1.4235 CSCC(=O)CC(=O)Nc1ccccc1Br 1458a_100000184570_100000182372 [0,1,0,0,0,1|2,0,0]=4 5241 B16R1.4235 CSCC(=O)CC(=O)Nc1ccccc1C 1458a_100000184570_100000183529 [0,1,0,0,0,1|2,0,0]=4 5242 B16R1.4235 CSCC(=O)CC(=O)Nc1ccccc1Cl 1458a_100000184570_100000182448 [0,1,0,0,0,1|2,0,0]=4 5243 B16R1.4235 CSCC(=O)CC(=O)Nc1ccccc1F 1458a_100000184570_100000182988 [0,1,0,0,0,1|2,0,0]=4 5244 B16R1.4235 CSCC(=O)CC(=O)Nc1ccccc1I 1458a_100000184570_100000180142 [0,1,0,0,0,1|2,0,0]=4 5245 B16R1.4235 CSCC(=O)CC(=O)Nc1ccccc1O 1458a_100000184570_100000014494 [0,1,0,0,0,1|2,0,0]=4 5246 B16R1.4235 Cc1ccccc1CC(=O)CC(=O)CCO 1458a_100011216618_100011223134 [0,1,0,0,0,1|2,0,0]=4 5247 B16R1.4235 Cc1ccccc1CC(=O)CC(=O)NCO 1458a_100000212180_100000185155 [0,1,0,0,0,1|2,0,0]=4 5248 B16R1.4235 Cc1ccccc1NC(=O)CC(=O)CCO 1458a_100011216618_100000183529 [0,1,0,0,0,1|2,0,0]=4 5249 B16R1.4235 O=C(CC(=O)NCO)Cc1ccccc1Br 1458a_100000751119_100000185155 [0,1,0,0,0,1|2,0,0]=4 5250 B16R1.4235 O=C(CC(=O)NCO)Cc1ccccc1Cl 1458a_100000183793_100000185155 [0,1,0,0,0,1|2,0,0]=4 5251 B16R1.4235 O=C(CC(=O)NCO)Cc1ccccc1F 1458a_100000212012_100000185155 [0,1,0,0,0,1|2,0,0]=4 5252 B16R1.4235 O=C(CC(=O)NCO)Cc1ccccc1I 1458a_100000036491_100000185155 [0,1,0,0,0,1|2,0,0]=4 5253 B16R1.4235 O=C(CC(=O)NCO)Cc1ccccc1O 1458a_100000743006_100000185155 [0,1,0,0,0,1|2,0,0]=4 5254 B16R1.4235 O=C(CCO)CC(=O)Cc1ccccc1Br 1458a_100011216618_100000700504 [0,1,0,0,0,1|2,0,0]=4 5255 B16R1.4235 O=C(CCO)CC(=O)Nc1ccccc1Br 1458a_100011216618_100000182372 [0,1,0,0,0,1|2,0,0]=4 5256 B16R1.4235 O=C(CCO)CC(=O)Nc1ccccc1Cl 1458a_100011216618_100000182448 [0,1,0,0,0,1|2,0,0]=4 5257 B16R1.4235 O=C(CCO)CC(=O)Nc1ccccc1F 1458a_100011216618_100000182988 [0,1,0,0,0,1|2,0,0]=4 5258 B16R1.4235 O=C(CCO)CC(=O)Nc1ccccc1I 1458a_100011216618_100000180142 [0,1,0,0,0,1|2,0,0]=4 5259 B16R1.4235 O=C(CCO)CC(=O)Nc1ccccc1O 1458a_100011216618_100000014494 [0,1,0,0,0,1|2,0,0]=4 5260 B16R1.6940 CC(=CC(=O)CC(=O)Cc1ccccc1)C 1458a_100000211388_100000233483 [0,1,0,0,0,1|1,0,1]=4 5261 B16R1.6940 CC(=CC(=O)CC(=O)Cc1ccccc1)Cl 1458a_200042562850_100000233483 [0,1,0,0,0,1|1,0,1]=4 5262 B16R1.6940 CC(=CC(=O)CC(=O)Cc1ccccc1)I 1458a_100025716642_100000233483 [0,1,0,0,0,1|1,0,1]=4 5263 B16R1.6940 CC(=CC(=O)CC(=O)Nc1ccccc1)C 1458a_100000211388_100000182850 [0,1,0,0,0,1|1,0,1]=4 5264 B16R1.6940 CC(=CC(=O)CC(=O)Nc1ccccc1)Cl 1458a_200042562850_100000182850 [0,1,0,0,0,1|1,0,1]=4 5265 B16R1.6940 CC(=CC(=O)CC(=O)Nc1ccccc1)I 1458a_100025716642_100000182850 [0,1,0,0,0,1|1,0,1]=4 5266 B16R1.6940 CC(=CC(=O)CC(=O)Oc1ccccc1)C 1458a_100000211388_100009813826 [0,1,0,0,0,1|1,0,1]=4 5267 B16R1.6940 CC(=CC(=O)CC(=O)Oc1ccccc1)Cl 1458a_200042562850_100009813826 [0,1,0,0,0,1|1,0,1]=4 5268 B16R1.6940 CC(=CC(=O)CC(=O)Oc1ccccc1)I 1458a_100025716642_100009813826 [0,1,0,0,0,1|1,0,1]=4 5269 B16R1.6940 CC(C)CC(=O)CC(=O)Cc1ccccc1 1458a_100000210554_100000233483 [0,1,0,0,0,1|1,0,0]=3 5270 B16R1.6940 CC(C)CC(=O)CC(=O)Nc1ccccc1 1458a_100000210554_100000182850 [0,1,0,0,0,1|1,0,0]=3 5271 B16R1.6940 CC(C)CC(=O)CC(=O)Nc1ccccn1 1458a_100000210554_100020662008 [0,1,0,0,0,1|2,0,0]=4 5272 B16R1.6940 CC(C)CC(=O)CC(=O)Nc1ccncc1 1458a_100000210554_100000754145 [0,1,0,0,0,1|2,0,0]=4 5273 B16R1.6940 CC(C)CC(=O)CC(=O)Oc1ccccc1 1458a_100000210554_100009813826 [0,1,0,0,0,1|1,0,0]=3 5274 B16R1.6940 CC(C)NC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000183996 [0,1,0,0,0,1|2,0,0]=4 5275 B16R1.6940 CC(C)NC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000183996 [0,1,0,0,0,1|2,0,0]=4 5276 B16R1.6940 CC(C)NC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000183996 [0,1,0,0,0,1|2,0,0]=4 5277 B16R1.6940 CC(C)NC(=O)CC(=O)Oc1ccccc1 240690a_100138425928_200000075362 [0,1,0,0,0,1|1,0,0]=3 5278 B16R1.6940 CC(C)OC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100011215430 [0,1,0,0,0,1|1,0,0]=3 5279 B16R1.6940 CC(C)OC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100011215430 [0,1,0,0,0,1|1,0,0]=3 5280 B16R1.6940 CC(C)OC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100011215430 [0,1,0,0,0,1|1,0,0]=3 5281 B16R1.6940 CC(C)OC(=O)CC(=O)Cc1cncnc1 1458a_100000721575_100011215430 [0,1,0,0,0,1|2,0,0]=4 5282 B16R1.6940 CC(C)OC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100011215430 [0,1,0,0,0,1|2,0,0]=4 5283 B16R1.6940 CC(C)OC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100011215430 [0,1,0,0,0,1|2,0,0]=4 5284 B16R1.6940 CN(C)CC(=O)CC(=O)Cc1ccccc1 1458a_100000750896_100000233483 [0,1,0,0,0,1|2,0,0]=4 5285 B16R1.6940 CN(C)CC(=O)CC(=O)Nc1ccccc1 1458a_100000750896_100000182850 [0,1,0,0,0,1|2,0,0]=4 5286 B16R1.6940 CN(C)CC(=O)CC(=O)Oc1ccccc1 1458a_100000750896_100009813826 [0,1,0,0,0,1|2,0,0]=4 5287 B16R1.6940 C[C@@H](O)CC(=O)CC(=O)Cc1ccccc1 1458a_100011933948_100000233483 [0,1,0,0,0,1|1,0,0]=3 5288 B16R1.6940 C[C@@H](O)CC(=O)CC(=O)Nc1ccccc1 1458a_100011933948_100000182850 [0,1,0,0,0,1|1,0,0]=3 5289 B16R1.6940 C[C@@H](O)CC(=O)CC(=O)Nc1ccccn1 1458a_100011933948_100020662008 [0,1,0,0,0,1|2,0,0]=4 5290 B16R1.6940 C[C@@H](O)CC(=O)CC(=O)Nc1ccncc1 1458a_100011933948_100000754145 [0,1,0,0,0,1|2,0,0]=4 5291 B16R1.6940 C[C@@H](O)CC(=O)CC(=O)Oc1ccccc1 1458a_100011933948_100009813826 [0,1,0,0,0,1|1,0,0]=3 5292 B16R1.6940 C[S+](C)CC(=O)CC(=O)Cc1ccccc1 1458a_200159257847_100000233483 [0,1,0,0,0,1|2,0,0]=4 5293 B16R1.6940 C[S+](C)CC(=O)CC(=O)Nc1ccccc1 1458a_200159257847_100000182850 [0,1,0,0,0,1|2,0,0]=4 5294 B16R1.6940 C[S+](C)CC(=O)CC(=O)Oc1ccccc1 1458a_200159257847_100009813826 [0,1,0,0,0,1|2,0,0]=4 5295 B16R1.78 C#CCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000692101_100000188085 [0,2,0,0,0,0|1,0,1]=4 5296 B16R1.78 C#CCCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000692101_100000211441 [0,2,0,0,0,0|1,0,1]=4 5297 B16R1.78 C#CCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000692101_100000211071 [0,2,0,0,0,0|1,0,1]=4 5298 B16R1.78 C#CCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000692101_100000211279 [0,2,0,0,0,0|1,0,1]=4 5299 B16R1.78 C#CCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000692101_100011216261 [0,2,0,0,0,0|1,0,1]=4 5300 B16R1.78 C#CCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000692101_100009814261 [0,2,0,0,0,0|1,0,1]=4 5301 B16R1.78 C=C(CC(=O)c1ccc(cc1)Br)OCOC 1458a_100000185839_100000042856 [0,2,0,0,0,0|1,0,0]=3 5302 B16R1.78 C=C(CC(=O)c1ccc(cc1)C)OCOC 1458a_100000188618_100000042856 [0,2,0,0,0,0|1,0,0]=3 5303 B16R1.78 C=C(CC(=O)c1ccc(cc1)Cl)OCOC 1458a_100000210187_100000042856 [0,2,0,0,0,0|1,0,0]=3 5304 B16R1.78 C=C(CC(=O)c1ccc(cc1)F)OCOC 1458a_100000187176_100000042856 [0,2,0,0,0,0|1,0,0]=3 5305 B16R1.78 C=C(CC(=O)c1ccc(cc1)I)OCOC 1458a_100000187904_100000042856 [0,2,0,0,0,0|1,0,0]=3 5306 B16R1.78 C=C(CC(=O)c1ccc(cc1)O)OCOC 1458a_100000212099_100000042856 [0,2,0,0,0,0|1,0,0]=3 5307 B16R1.78 C=CCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000749702_100000188085 [0,2,0,0,0,0|1,0,1]=4 5308 B16R1.78 C=CCCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000749702_100000211441 [0,2,0,0,0,0|1,0,1]=4 5309 B16R1.78 C=CCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000749702_100000211071 [0,2,0,0,0,0|1,0,1]=4 5310 B16R1.78 C=CCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000749702_100000211279 [0,2,0,0,0,0|1,0,1]=4 5311 B16R1.78 C=CCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000749702_100011216261 [0,2,0,0,0,0|1,0,1]=4 5312 B16R1.78 C=CCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000749702_100009814261 [0,2,0,0,0,0|1,0,1]=4 5313 B16R1.78 C=CCNC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000183597 [0,2,0,0,0,0|1,0,1]=4 5314 B16R1.78 C=CCNC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000183597 [0,2,0,0,0,0|1,0,1]=4 5315 B16R1.78 C=CCNC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000183597 [0,2,0,0,0,0|1,0,1]=4 5316 B16R1.78 C=CCNC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000183597 [0,2,0,0,0,0|1,0,1]=4 5317 B16R1.78 C=CCNC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000183597 [0,2,0,0,0,0|1,0,1]=4 5318 B16R1.78 C=CCNC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000183597 [0,2,0,0,0,0|1,0,1]=4 5319 B16R1.78 C=CCOC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000033060 [0,2,0,0,0,0|0,0,1]=3 5320 B16R1.78 C=CCOC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000033060 [0,2,0,0,0,0|0,0,1]=3 5321 B16R1.78 C=CCOC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000033060 [0,2,0,0,0,0|0,0,1]=3 5322 B16R1.78 C=CCOC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000033060 [0,2,0,0,0,0|0,0,1]=3 5323 B16R1.78 C=CCOC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000033060 [0,2,0,0,0,0|0,0,1]=3 5324 B16R1.78 C=CCOC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000033060 [0,2,0,0,0,0|0,0,1]=3 5325 B16R1.78 CC=CCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100121576822_100000188085 [0,2,0,0,0,0|1,0,1]=4 5326 B16R1.78 CC=CCC(=O)CC(=O)c1ccc(cc1)C 1458a_100121576822_100000211441 [0,2,0,0,0,0|1,0,1]=4 5327 B16R1.78 CC=CCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100121576822_100000211071 [0,2,0,0,0,0|1,0,1]=4 5328 B16R1.78 CC=CCC(=O)CC(=O)c1ccc(cc1)F 1458a_100121576822_100000211279 [0,2,0,0,0,0|1,0,1]=4 5329 B16R1.78 CC=CCC(=O)CC(=O)c1ccc(cc1)I 1458a_100121576822_100011216261 [0,2,0,0,0,0|1,0,1]=4 5330 B16R1.78 CC=CCC(=O)CC(=O)c1ccc(cc1)O 1458a_100121576822_100009814261 [0,2,0,0,0,0|1,0,1]=4 5331 B16R1.78 CCC#CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100011827653_100000188085 [0,2,0,0,0,0|1,0,0]=3 5332 B16R1.78 CCC#CC(=O)CC(=O)c1ccc(cc1)C 1458a_100011827653_100000211441 [0,2,0,0,0,0|1,0,0]=3 5333 B16R1.78 CCC#CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100011827653_100000211071 [0,2,0,0,0,0|1,0,0]=3 5334 B16R1.78 CCC#CC(=O)CC(=O)c1ccc(cc1)F 1458a_100011827653_100000211279 [0,2,0,0,0,0|1,0,0]=3 5335 B16R1.78 CCC#CC(=O)CC(=O)c1ccc(cc1)I 1458a_100011827653_100011216261 [0,2,0,0,0,0|1,0,0]=3 5336 B16R1.78 CCC#CC(=O)CC(=O)c1ccc(cc1)O 1458a_100011827653_100009814261 [0,2,0,0,0,0|1,0,0]=3 5337 B16R1.78 CCC#CC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100011827653_100016989621 [0,2,0,0,0,0|2,0,0]=4 5338 B16R1.78 CCC#CC(=O)CC(=O)c1ccc(nc1)C 1458a_100011827653_100012027583 [0,2,0,0,0,0|2,0,0]=4 5339 B16R1.78 CCC#CC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100011827653_100009864725 [0,2,0,0,0,0|2,0,0]=4 5340 B16R1.78 CCC=CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000212282_100000188085 [0,2,0,0,0,0|1,0,0]=3 5341 B16R1.78 CCC=CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000212282_100000211441 [0,2,0,0,0,0|1,0,0]=3 5342 B16R1.78 CCC=CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000212282_100000211071 [0,2,0,0,0,0|1,0,0]=3 5343 B16R1.78 CCC=CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000212282_100000211279 [0,2,0,0,0,0|1,0,0]=3 5344 B16R1.78 CCC=CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000212282_100011216261 [0,2,0,0,0,0|1,0,0]=3 5345 B16R1.78 CCC=CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212282_100009814261 [0,2,0,0,0,0|1,0,0]=3 5346 B16R1.78 CCC=CC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100000212282_100016989621 [0,2,0,0,0,0|2,0,0]=4 5347 B16R1.78 CCC=CC(=O)CC(=O)c1ccc(nc1)C 1458a_100000212282_100012027583 [0,2,0,0,0,0|2,0,0]=4 5348 B16R1.78 CCC=CC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100000212282_100009864725 [0,2,0,0,0,0|2,0,0]=4 5349 B16R1.78 CCCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000210183_100000188085 [0,2,0,0,0,0|1,0,0]=3 5350 B16R1.78 CCCCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000210183_100000211441 [0,2,0,0,0,0|1,0,0]=3 5351 B16R1.78 CCCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210183_100000211071 [0,2,0,0,0,0|1,0,0]=3 5352 B16R1.78 CCCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000210183_100000211279 [0,2,0,0,0,0|1,0,0]=3 5353 B16R1.78 CCCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000210183_100011216261 [0,2,0,0,0,0|1,0,0]=3 5354 B16R1.78 CCCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000210183_100009814261 [0,2,0,0,0,0|1,0,0]=3 5355 B16R1.78 CCCCC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100000210183_100016989621 [0,2,0,0,0,0|2,0,0]=4 5356 B16R1.78 CCCCC(=O)CC(=O)c1ccc(nc1)C 1458a_100000210183_100012027583 [0,2,0,0,0,0|2,0,0]=4 5357 B16R1.78 CCCCC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100000210183_100009864725 [0,2,0,0,0,0|2,0,0]=4 5358 B16R1.78 CCCNC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000183358 [0,2,0,0,0,0|1,0,0]=3 5359 B16R1.78 CCCNC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000183358 [0,2,0,0,0,0|1,0,0]=3 5360 B16R1.78 CCCNC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000183358 [0,2,0,0,0,0|1,0,0]=3 5361 B16R1.78 CCCNC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000183358 [0,2,0,0,0,0|1,0,0]=3 5362 B16R1.78 CCCNC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000183358 [0,2,0,0,0,0|1,0,0]=3 5363 B16R1.78 CCCNC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000183358 [0,2,0,0,0,0|1,0,0]=3 5364 B16R1.78 CCCOC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_200011215008 [0,2,0,0,0,0|0,0,0]=2 5365 B16R1.78 CCCOC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_200011215008 [0,2,0,0,0,0|0,0,0]=2 5366 B16R1.78 CCCOC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200011215008 [0,2,0,0,0,0|0,0,0]=2 5367 B16R1.78 CCCOC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_200011215008 [0,2,0,0,0,0|0,0,0]=2 5368 B16R1.78 CCCOC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_200011215008 [0,2,0,0,0,0|0,0,0]=2 5369 B16R1.78 CCCOC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_200011215008 [0,2,0,0,0,0|0,0,0]=2 5370 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)Br 2230a_100000219623_200011215008 [0,2,0,0,0,0|2,0,0]=4 5371 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_200011215008 [0,2,0,0,0,0|2,0,0]=4 5372 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)Br 34a_100000219623_200011215008 [0,2,0,0,0,0|2,0,0]=4 5373 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)C 2230a_100000219977_200011215008 [0,2,0,0,0,0|2,0,0]=4 5374 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)C 269982a_100000219977_200011215008 [0,2,0,0,0,0|2,0,0]=4 5375 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)C 34a_100000219977_200011215008 [0,2,0,0,0,0|2,0,0]=4 5376 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_200011215008 [0,2,0,0,0,0|2,0,0]=4 5377 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_200011215008 [0,2,0,0,0,0|2,0,0]=4 5378 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)Cl 34a_100020629279_200011215008 [0,2,0,0,0,0|2,0,0]=4 5379 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)F 2230a_100000219829_200011215008 [0,2,0,0,0,0|2,0,0]=4 5380 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_200011215008 [0,2,0,0,0,0|2,0,0]=4 5381 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)F 34a_100000219829_200011215008 [0,2,0,0,0,0|2,0,0]=4 5382 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)I 2230a_100000743151_200011215008 [0,2,0,0,0,0|2,0,0]=4 5383 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_200011215008 [0,2,0,0,0,0|2,0,0]=4 5384 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)I 34a_100000743151_200011215008 [0,2,0,0,0,0|2,0,0]=4 5385 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_200011215008 [0,2,0,0,0,0|2,0,0]=4 5386 B16R1.78 CCCOC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_200011215008 [0,2,0,0,0,0|2,0,0]=4 5387 B16R1.78 CCOCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000211967_100000188085 [0,2,0,0,0,0|0,0,0]=2 5388 B16R1.78 CCOCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000211967_100000211441 [0,2,0,0,0,0|0,0,0]=2 5389 B16R1.78 CCOCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000211967_100000211071 [0,2,0,0,0,0|0,0,0]=2 5390 B16R1.78 CCOCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000211967_100000211279 [0,2,0,0,0,0|0,0,0]=2 5391 B16R1.78 CCOCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000211967_100011216261 [0,2,0,0,0,0|0,0,0]=2 5392 B16R1.78 CCOCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000211967_100009814261 [0,2,0,0,0,0|0,0,0]=2 5393 B16R1.78 CCOCC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100000211967_100016989621 [0,2,0,0,0,0|1,0,0]=3 5394 B16R1.78 CCOCC(=O)CC(=O)c1ccc(nc1)C 1458a_100000211967_100012027583 [0,2,0,0,0,0|1,0,0]=3 5395 B16R1.78 CCOCC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100000211967_100009864725 [0,2,0,0,0,0|1,0,0]=3 5396 B16R1.78 CCOCC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000211967_200011996143 [0,2,0,0,0,0|0,0,2]=4 5397 B16R1.78 CCOCC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000211967_100000720402 [0,2,0,0,0,0|0,0,2]=4 5398 B16R1.78 CCSCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000230394_100000188085 [0,2,0,0,0,0|0,1,0]=3 5399 B16R1.78 CCSCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000230394_100000211441 [0,2,0,0,0,0|0,1,0]=3 5400 B16R1.78 CCSCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000230394_100000211071 [0,2,0,0,0,0|0,1,0]=3 5401 B16R1.78 CCSCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000230394_100000211279 [0,2,0,0,0,0|0,1,0]=3 5402 B16R1.78 CCSCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000230394_100011216261 [0,2,0,0,0,0|0,1,0]=3 5403 B16R1.78 CCSCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000230394_100009814261 [0,2,0,0,0,0|0,1,0]=3 5404 B16R1.78 CCSCC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100000230394_100016989621 [0,2,0,0,0,0|1,1,0]=4 5405 B16R1.78 CCSCC(=O)CC(=O)c1ccc(nc1)C 1458a_100000230394_100012027583 [0,2,0,0,0,0|1,1,0]=4 5406 B16R1.78 CCSCC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100000230394_100009864725 [0,2,0,0,0,0|1,1,0]=4 5407 B16R1.78 CCSCC(=O)NC(=O)c1ccc(cc1)Cl 62a_100000210202_100000010301 [0,2,0,0,0,0|1,1,0]=4 5408 B16R1.78 COC=CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100016268678_100000188085 [0,2,0,0,0,0|1,0,1]=4 5409 B16R1.78 COC=CC(=O)CC(=O)c1ccc(cc1)C 1458a_100016268678_100000211441 [0,2,0,0,0,0|1,0,1]=4 5410 B16R1.78 COC=CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100016268678_100000211071 [0,2,0,0,0,0|1,0,1]=4 5411 B16R1.78 COC=CC(=O)CC(=O)c1ccc(cc1)F 1458a_100016268678_100000211279 [0,2,0,0,0,0|1,0,1]=4 5412 B16R1.78 COC=CC(=O)CC(=O)c1ccc(cc1)I 1458a_100016268678_100011216261 [0,2,0,0,0,0|1,0,1]=4 5413 B16R1.78 COC=CC(=O)CC(=O)c1ccc(cc1)O 1458a_100016268678_100009814261 [0,2,0,0,0,0|1,0,1]=4 5414 B16R1.78 COCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000749529_100000188085 [0,2,0,0,0,0|1,0,0]=3 5415 B16R1.78 COCCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000749529_100000211441 [0,2,0,0,0,0|1,0,0]=3 5416 B16R1.78 COCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000749529_100000211071 [0,2,0,0,0,0|1,0,0]=3 5417 B16R1.78 COCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000749529_100000211279 [0,2,0,0,0,0|1,0,0]=3 5418 B16R1.78 COCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000749529_100011216261 [0,2,0,0,0,0|1,0,0]=3 5419 B16R1.78 COCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000749529_100009814261 [0,2,0,0,0,0|1,0,0]=3 5420 B16R1.78 COCCC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100000749529_100016989621 [0,2,0,0,0,0|2,0,0]=4 5421 B16R1.78 COCCC(=O)CC(=O)c1ccc(nc1)C 1458a_100000749529_100012027583 [0,2,0,0,0,0|2,0,0]=4 5422 B16R1.78 COCCC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100000749529_100009864725 [0,2,0,0,0,0|2,0,0]=4 5423 B16R1.78 CSCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000174002_100000188085 [0,2,0,0,0,0|1,0,0]=3 5424 B16R1.78 CSCCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000174002_100000211441 [0,2,0,0,0,0|1,0,0]=3 5425 B16R1.78 CSCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000174002_100000211071 [0,2,0,0,0,0|1,0,0]=3 5426 B16R1.78 CSCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000174002_100000211279 [0,2,0,0,0,0|1,0,0]=3 5427 B16R1.78 CSCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000174002_100011216261 [0,2,0,0,0,0|1,0,0]=3 5428 B16R1.78 CSCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000174002_100009814261 [0,2,0,0,0,0|1,0,0]=3 5429 B16R1.78 CSCCC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100000174002_100016989621 [0,2,0,0,0,0|2,0,0]=4 5430 B16R1.78 CSCCC(=O)CC(=O)c1ccc(nc1)C 1458a_100000174002_100012027583 [0,2,0,0,0,0|2,0,0]=4 5431 B16R1.78 CSCCC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100000174002_100009864725 [0,2,0,0,0,0|2,0,0]=4 5432 B16R1.78 Cc1ccc(cc1)C(=O)CC(=O)C#CCO 1458a_100000049017_100000211441 [0,2,0,0,0,0|1,0,1]=4 5433 B16R1.78 Cc1ccc(cc1)C(=O)CC(=O)CCC#N 1458a_100011934036_100000211441 [0,2,0,0,0,0|1,0,1]=4 5434 B16R1.78 Cc1ccc(cc1)C(=O)CC(=O)NCC#N 1458a_100000188618_100000736037 [0,2,0,0,0,0|1,0,1]=4 5435 B16R1.78 N#CCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100011934036_100000188085 [0,2,0,0,0,0|1,0,1]=4 5436 B16R1.78 N#CCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100011934036_100000211071 [0,2,0,0,0,0|1,0,1]=4 5437 B16R1.78 N#CCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100011934036_100000211279 [0,2,0,0,0,0|1,0,1]=4 5438 B16R1.78 N#CCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100011934036_100011216261 [0,2,0,0,0,0|1,0,1]=4 5439 B16R1.78 N#CCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100011934036_100009814261 [0,2,0,0,0,0|1,0,1]=4 5440 B16R1.78 N#CCNC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000736037 [0,2,0,0,0,0|1,0,1]=4 5441 B16R1.78 N#CCNC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000736037 [0,2,0,0,0,0|1,0,1]=4 5442 B16R1.78 N#CCNC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000736037 [0,2,0,0,0,0|1,0,1]=4 5443 B16R1.78 N#CCNC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000736037 [0,2,0,0,0,0|1,0,1]=4 5444 B16R1.78 N#CCNC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000736037 [0,2,0,0,0,0|1,0,1]=4 5445 B16R1.78 O=C(C#CCO)CC(=O)c1ccc(cc1)Br 1458a_100000049017_100000188085 [0,2,0,0,0,0|1,0,1]=4 5446 B16R1.78 O=C(C#CCO)CC(=O)c1ccc(cc1)Cl 1458a_100000049017_100000211071 [0,2,0,0,0,0|1,0,1]=4 5447 B16R1.78 O=C(C#CCO)CC(=O)c1ccc(cc1)F 1458a_100000049017_100000211279 [0,2,0,0,0,0|1,0,1]=4 5448 B16R1.78 O=C(C#CCO)CC(=O)c1ccc(cc1)I 1458a_100000049017_100011216261 [0,2,0,0,0,0|1,0,1]=4 5449 B16R1.78 O=C(C#CCO)CC(=O)c1ccc(cc1)O 1458a_100000049017_100009814261 [0,2,0,0,0,0|1,0,1]=4 5450 B16R1.685 CC#CC(=O)C(C)C(=O)c1ccc(cc1)Br 1458a_100000763181_100000184162 [0,2,0,0,0,0|1,0,1]=4 5451 B16R1.685 CC#CC(=O)C(C)C(=O)c1ccc(cc1)C 1458a_100000763181_100000183984 [0,2,0,0,0,0|1,0,1]=4 5452 B16R1.685 CC#CC(=O)C(C)C(=O)c1ccc(cc1)Cl 1458a_100000763181_100000183210 [0,2,0,0,0,0|1,0,1]=4 5453 B16R1.685 CC#CC(=O)C(C)C(=O)c1ccc(cc1)F 1458a_100000763181_100000229918 [0,2,0,0,0,0|1,0,1]=4 5454 B16R1.685 CC#CC(=O)C(C)C(=O)c1ccc(cc1)O 1458a_100000763181_200010205864 [0,2,0,0,0,0|1,0,1]=4 5455 B16R1.685 CC(C(=O)CCO)C(=O)c1ccc(cc1)Br 1458a_100011216618_100000184162 [0,2,0,0,0,0|2,0,0]=4 5456 B16R1.685 CC(C(=O)CCO)C(=O)c1ccc(cc1)Cl 1458a_100011216618_100000183210 [0,2,0,0,0,0|2,0,0]=4 5457 B16R1.685 CC(C(=O)CCO)C(=O)c1ccc(cc1)F 1458a_100011216618_100000229918 [0,2,0,0,0,0|2,0,0]=4 5458 B16R1.685 CC(C(=O)CCO)C(=O)c1ccc(cc1)O 1458a_100011216618_200010205864 [0,2,0,0,0,0|2,0,0]=4 5459 B16R1.685 CC=CC(=O)C(C)C(=O)c1ccc(cc1)Br 1458a_100000210699_100000184162 [0,2,0,0,0,0|1,0,1]=4 5460 B16R1.685 CC=CC(=O)C(C)C(=O)c1ccc(cc1)C 1458a_100000210699_100000183984 [0,2,0,0,0,0|1,0,1]=4 5461 B16R1.685 CC=CC(=O)C(C)C(=O)c1ccc(cc1)Cl 1458a_100000210699_100000183210 [0,2,0,0,0,0|1,0,1]=4 5462 B16R1.685 CC=CC(=O)C(C)C(=O)c1ccc(cc1)F 1458a_100000210699_100000229918 [0,2,0,0,0,0|1,0,1]=4 5463 B16R1.685 CC=CC(=O)C(C)C(=O)c1ccc(cc1)O 1458a_100000210699_200010205864 [0,2,0,0,0,0|1,0,1]=4 5464 B16R1.685 CCCC(=O)C(C)C(=O)c1ccc(cc1)Br 1458a_100000211992_100000184162 [0,2,0,0,0,0|1,0,0]=3 5465 B16R1.685 CCCC(=O)C(C)C(=O)c1ccc(cc1)C 1458a_100000211992_100000183984 [0,2,0,0,0,0|1,0,0]=3 5466 B16R1.685 CCCC(=O)C(C)C(=O)c1ccc(cc1)Cl 1458a_100000211992_100000183210 [0,2,0,0,0,0|1,0,0]=3 5467 B16R1.685 CCCC(=O)C(C)C(=O)c1ccc(cc1)F 1458a_100000211992_100000229918 [0,2,0,0,0,0|1,0,0]=3 5468 B16R1.685 CCCC(=O)C(C)C(=O)c1ccc(cc1)O 1458a_100000211992_200010205864 [0,2,0,0,0,0|1,0,0]=3 5469 B16R1.685 CCNC(=O)C(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000230173 [0,2,0,0,0,0|1,0,0]=3 5470 B16R1.685 CCNC(=O)C(C)C(=O)c1ccc(cc1)C 1458a_100000188618_100000230173 [0,2,0,0,0,0|1,0,0]=3 5471 B16R1.685 CCNC(=O)C(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000230173 [0,2,0,0,0,0|1,0,0]=3 5472 B16R1.685 CCNC(=O)C(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000230173 [0,2,0,0,0,0|1,0,0]=3 5473 B16R1.685 CCNC(=O)C(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000230173 [0,2,0,0,0,0|1,0,0]=3 5474 B16R1.685 CCNC(=O)C(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000230173 [0,2,0,0,0,0|1,0,0]=3 5475 B16R1.685 CCOC(=O)C(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100011216346 [0,2,0,0,0,0|0,0,0]=2 5476 B16R1.685 CCOC(=O)C(C)C(=O)c1ccc(cc1)C 1458a_100000188618_100011216346 [0,2,0,0,0,0|0,0,0]=2 5477 B16R1.685 CCOC(=O)C(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100011216346 [0,2,0,0,0,0|0,0,0]=2 5478 B16R1.685 CCOC(=O)C(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100011216346 [0,2,0,0,0,0|0,0,0]=2 5479 B16R1.685 CCOC(=O)C(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100011216346 [0,2,0,0,0,0|0,0,0]=2 5480 B16R1.685 CCOC(=O)C(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100011216346 [0,2,0,0,0,0|0,0,0]=2 5481 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)Br 2230a_100000219623_100011215307 [0,2,0,0,0,0|2,0,0]=4 5482 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)Br 269982a_100000219623_100011216346 [0,2,0,0,0,0|2,0,0]=4 5483 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)Br 34a_100000219623_100011216346 [0,2,0,0,0,0|2,0,0]=4 5484 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)C 2230a_100000219977_100011215307 [0,2,0,0,0,0|2,0,0]=4 5485 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)C 269982a_100000219977_100011216346 [0,2,0,0,0,0|2,0,0]=4 5486 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)C 34a_100000219977_100011216346 [0,2,0,0,0,0|2,0,0]=4 5487 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)Cl 2230a_100020629279_100011215307 [0,2,0,0,0,0|2,0,0]=4 5488 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100011216346 [0,2,0,0,0,0|2,0,0]=4 5489 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)Cl 34a_100020629279_100011216346 [0,2,0,0,0,0|2,0,0]=4 5490 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)F 2230a_100000219829_100011215307 [0,2,0,0,0,0|2,0,0]=4 5491 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)F 269982a_100000219829_100011216346 [0,2,0,0,0,0|2,0,0]=4 5492 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)F 34a_100000219829_100011216346 [0,2,0,0,0,0|2,0,0]=4 5493 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)I 2230a_100000743151_100011215307 [0,2,0,0,0,0|2,0,0]=4 5494 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)I 269982a_100000743151_100011216346 [0,2,0,0,0,0|2,0,0]=4 5495 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)I 34a_100000743151_100011216346 [0,2,0,0,0,0|2,0,0]=4 5496 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)O 269982a_100000182112_100011216346 [0,2,0,0,0,0|2,0,0]=4 5497 B16R1.685 CCOC(=O)C(C)N(C)c1ccc(cc1)O 34a_100000182112_100011216346 [0,2,0,0,0,0|2,0,0]=4 5498 B16R1.685 CCOC(=O)C(F)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000760018 [0,2,0,0,0,0|0,0,0]=2 5499 B16R1.685 CCOC(=O)C(F)C(=O)c1ccc(cc1)C 1458a_100000188618_100000760018 [0,2,0,0,0,0|0,0,0]=2 5500 B16R1.685 CCOC(=O)C(F)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000760018 [0,2,0,0,0,0|0,0,0]=2 5501 B16R1.685 CCOC(=O)C(F)C(=O)c1ccc(cc1)F 1458a_100000187176_100000760018 [0,2,0,0,0,0|0,0,0]=2 5502 B16R1.685 CCOC(=O)C(F)C(=O)c1ccc(cc1)I 1458a_100000187904_100000760018 [0,2,0,0,0,0|0,0,0]=2 5503 B16R1.685 CCOC(=O)C(F)C(=O)c1ccc(cc1)O 1458a_100000212099_100000760018 [0,2,0,0,0,0|0,0,0]=2 5504 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)Br 2230a_100000219623_100000760018 [0,2,0,0,0,0|2,0,0]=4 5505 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)Br 269982a_100000219623_100000760018 [0,2,0,0,0,0|2,0,0]=4 5506 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)Br 34a_100000219623_100000760018 [0,2,0,0,0,0|2,0,0]=4 5507 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)C 2230a_100000219977_100000760018 [0,2,0,0,0,0|2,0,0]=4 5508 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)C 269982a_100000219977_100000760018 [0,2,0,0,0,0|2,0,0]=4 5509 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)C 34a_100000219977_100000760018 [0,2,0,0,0,0|2,0,0]=4 5510 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)Cl 2230a_100020629279_100000760018 [0,2,0,0,0,0|2,0,0]=4 5511 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)Cl 269982a_100020629279_100000760018 [0,2,0,0,0,0|2,0,0]=4 5512 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)Cl 34a_100020629279_100000760018 [0,2,0,0,0,0|2,0,0]=4 5513 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)F 2230a_100000219829_100000760018 [0,2,0,0,0,0|2,0,0]=4 5514 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)F 269982a_100000219829_100000760018 [0,2,0,0,0,0|2,0,0]=4 5515 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)F 34a_100000219829_100000760018 [0,2,0,0,0,0|2,0,0]=4 5516 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)I 2230a_100000743151_100000760018 [0,2,0,0,0,0|2,0,0]=4 5517 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)I 269982a_100000743151_100000760018 [0,2,0,0,0,0|2,0,0]=4 5518 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)I 34a_100000743151_100000760018 [0,2,0,0,0,0|2,0,0]=4 5519 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)O 269982a_100000182112_100000760018 [0,2,0,0,0,0|2,0,0]=4 5520 B16R1.685 CCOC(=O)C(F)N(C)c1ccc(cc1)O 34a_100000182112_100000760018 [0,2,0,0,0,0|2,0,0]=4 5521 B16R1.685 COCC(=O)C(C)C(=O)c1ccc(cc1)Br 1458a_100000210968_100000184162 [0,2,0,0,0,0|2,0,0]=4 5522 B16R1.685 COCC(=O)C(C)C(=O)c1ccc(cc1)C 1458a_100000210968_100000183984 [0,2,0,0,0,0|2,0,0]=4 5523 B16R1.685 COCC(=O)C(C)C(=O)c1ccc(cc1)Cl 1458a_100000210968_100000183210 [0,2,0,0,0,0|2,0,0]=4 5524 B16R1.685 COCC(=O)C(C)C(=O)c1ccc(cc1)F 1458a_100000210968_100000229918 [0,2,0,0,0,0|2,0,0]=4 5525 B16R1.685 COCC(=O)C(C)C(=O)c1ccc(cc1)O 1458a_100000210968_200010205864 [0,2,0,0,0,0|2,0,0]=4 5526 B16R1.685 CSCC(=O)C(C)C(=O)c1ccc(cc1)Br 1458a_100000184570_100000184162 [0,2,0,0,0,0|2,0,0]=4 5527 B16R1.685 CSCC(=O)C(C)C(=O)c1ccc(cc1)C 1458a_100000184570_100000183984 [0,2,0,0,0,0|2,0,0]=4 5528 B16R1.685 CSCC(=O)C(C)C(=O)c1ccc(cc1)Cl 1458a_100000184570_100000183210 [0,2,0,0,0,0|2,0,0]=4 5529 B16R1.685 CSCC(=O)C(C)C(=O)c1ccc(cc1)F 1458a_100000184570_100000229918 [0,2,0,0,0,0|2,0,0]=4 5530 B16R1.685 CSCC(=O)C(C)C(=O)c1ccc(cc1)O 1458a_100000184570_200010205864 [0,2,0,0,0,0|2,0,0]=4 5531 B16R1.685 Cc1ccc(cc1)C(=O)C(C)C(=O)CCO 1458a_100011216618_100000183984 [0,2,0,0,0,0|2,0,0]=4 5532 B16R1.953 CCCC(=O)CS(=O)(=O)c1ccc(cc1)C 1458a_100000184588_100000210303 [0,2,0,0,0,0|2,0,0]=4 5533 B16R1.953 CCCC(=O)CS(=O)(=O)c1ccc(cc1)C 1458a_100000211992_100000183660 [0,2,0,0,0,0|2,0,0]=4 5534 B16R1.953 CCCC(=O)CS(=O)(=O)c1ccc(cc1)Cl 1458a_100000182728_100000210303 [0,2,0,0,0,0|2,0,0]=4 5535 B16R1.953 CCNC(=O)CS(=O)(=O)c1ccc(cc1)C 11a_100015525214_100000184588 [0,2,0,0,0,0|2,0,0]=4 5536 B16R1.953 CCNC(=O)CS(=O)(=O)c1ccc(cc1)C 240690a_100015525214_100000184588 [0,2,0,0,0,0|2,0,0]=4 5537 B16R1.953 CCNC(=O)CS(=O)(=O)c1ccc(cc1)C 527a_100015525214_100000184588 [0,2,0,0,0,0|2,0,0]=4 5538 B16R1.953 CCNC(=O)CS(=O)(=O)c1ccc(cc1)Cl 11a_100015525214_100000182728 [0,2,0,0,0,0|2,0,0]=4 5539 B16R1.953 CCNC(=O)CS(=O)(=O)c1ccc(cc1)Cl 240690a_100015525214_100000182728 [0,2,0,0,0,0|2,0,0]=4 5540 B16R1.953 CCNC(=O)CS(=O)(=O)c1ccc(cc1)Cl 527a_100015525214_100000182728 [0,2,0,0,0,0|2,0,0]=4 5541 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)Br)C 1458a_100000211388_100000188085 [0,2,0,0,0,0|1,0,1]=4 5542 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)Br)Cl 1458a_200042562850_100000188085 [0,2,0,0,0,0|1,0,1]=4 5543 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)Br)I 1458a_100025716642_100000188085 [0,2,0,0,0,0|1,0,1]=4 5544 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)C)C 1458a_100000211388_100000211441 [0,2,0,0,0,0|1,0,1]=4 5545 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)C)Cl 1458a_200042562850_100000211441 [0,2,0,0,0,0|1,0,1]=4 5546 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)C)I 1458a_100025716642_100000211441 [0,2,0,0,0,0|1,0,1]=4 5547 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)Cl)C 1458a_100000211388_100000211071 [0,2,0,0,0,0|1,0,1]=4 5548 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)Cl)Cl 1458a_200042562850_100000211071 [0,2,0,0,0,0|1,0,1]=4 5549 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)Cl)I 1458a_100025716642_100000211071 [0,2,0,0,0,0|1,0,1]=4 5550 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)F)C 1458a_100000211388_100000211279 [0,2,0,0,0,0|1,0,1]=4 5551 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)F)Cl 1458a_200042562850_100000211279 [0,2,0,0,0,0|1,0,1]=4 5552 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)F)I 1458a_100025716642_100000211279 [0,2,0,0,0,0|1,0,1]=4 5553 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)I)C 1458a_100000211388_100011216261 [0,2,0,0,0,0|1,0,1]=4 5554 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)I)Cl 1458a_200042562850_100011216261 [0,2,0,0,0,0|1,0,1]=4 5555 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)I)I 1458a_100025716642_100011216261 [0,2,0,0,0,0|1,0,1]=4 5556 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)O)C 1458a_100000211388_100009814261 [0,2,0,0,0,0|1,0,1]=4 5557 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)O)Cl 1458a_200042562850_100009814261 [0,2,0,0,0,0|1,0,1]=4 5558 B16R1.1038 CC(=CC(=O)CC(=O)c1ccc(cc1)O)I 1458a_100025716642_100009814261 [0,2,0,0,0,0|1,0,1]=4 5559 B16R1.1038 CC(=O)NC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000183797 [0,2,0,0,0,0|1,0,1]=4 5560 B16R1.1038 CC(=O)NC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000183797 [0,2,0,0,0,0|1,0,1]=4 5561 B16R1.1038 CC(=O)NC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000183797 [0,2,0,0,0,0|1,0,1]=4 5562 B16R1.1038 CC(=O)NC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000183797 [0,2,0,0,0,0|1,0,1]=4 5563 B16R1.1038 CC(=O)NC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000183797 [0,2,0,0,0,0|1,0,1]=4 5564 B16R1.1038 CC(=O)NC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000183797 [0,2,0,0,0,0|1,0,1]=4 5565 B16R1.1038 CC(C)CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000210554_100000188085 [0,2,0,0,0,0|1,0,0]=3 5566 B16R1.1038 CC(C)CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210554_100000211071 [0,2,0,0,0,0|1,0,0]=3 5567 B16R1.1038 CC(C)CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000210554_100000211279 [0,2,0,0,0,0|1,0,0]=3 5568 B16R1.1038 CC(C)CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000210554_100011216261 [0,2,0,0,0,0|1,0,0]=3 5569 B16R1.1038 CC(C)CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000210554_100009814261 [0,2,0,0,0,0|1,0,0]=3 5570 B16R1.1038 CC(C)CC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100000210554_100016989621 [0,2,0,0,0,0|2,0,0]=4 5571 B16R1.1038 CC(C)CC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100000210554_100009864725 [0,2,0,0,0,0|2,0,0]=4 5572 B16R1.1038 CC(C)NC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000183996 [0,2,0,0,0,0|1,0,0]=3 5573 B16R1.1038 CC(C)NC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000183996 [0,2,0,0,0,0|1,0,0]=3 5574 B16R1.1038 CC(C)NC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000183996 [0,2,0,0,0,0|1,0,0]=3 5575 B16R1.1038 CC(C)NC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000183996 [0,2,0,0,0,0|1,0,0]=3 5576 B16R1.1038 CC(C)NC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000183996 [0,2,0,0,0,0|1,0,0]=3 5577 B16R1.1038 CC(C)OC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100011215430 [0,2,0,0,0,0|0,0,0]=2 5578 B16R1.1038 CC(C)OC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011215430 [0,2,0,0,0,0|0,0,0]=2 5579 B16R1.1038 CC(C)OC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100011215430 [0,2,0,0,0,0|0,0,0]=2 5580 B16R1.1038 CC(C)OC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100011215430 [0,2,0,0,0,0|0,0,0]=2 5581 B16R1.1038 CC(C)OC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011215430 [0,2,0,0,0,0|0,0,0]=2 5582 B16R1.1038 CC(C)OC(=O)CN(C)c1ccc(cc1)Br 2230a_100000219623_100011215430 [0,2,0,0,0,0|2,0,0]=4 5583 B16R1.1038 CC(C)OC(=O)CN(C)c1ccc(cc1)Br 269982a_100000219623_100011215430 [0,2,0,0,0,0|2,0,0]=4 5584 B16R1.1038 CC(C)OC(=O)CN(C)c1ccc(cc1)Br 34a_100000219623_100011215430 [0,2,0,0,0,0|2,0,0]=4 5585 B16R1.1038 CC(C)OC(=O)CN(C)c1ccc(cc1)Cl 2230a_100020629279_100011215430 [0,2,0,0,0,0|2,0,0]=4 5586 B16R1.1038 CC(C)OC(=O)CN(C)c1ccc(cc1)Cl 269982a_100020629279_100011215430 [0,2,0,0,0,0|2,0,0]=4 5587 B16R1.1038 CC(C)OC(=O)CN(C)c1ccc(cc1)Cl 34a_100020629279_100011215430 [0,2,0,0,0,0|2,0,0]=4 5588 B16R1.1038 CC(C)OC(=O)CN(C)c1ccc(cc1)F 2230a_100000219829_100011215430 [0,2,0,0,0,0|2,0,0]=4 5589 B16R1.1038 CC(C)OC(=O)CN(C)c1ccc(cc1)F 269982a_100000219829_100011215430 [0,2,0,0,0,0|2,0,0]=4 5590 B16R1.1038 CC(C)OC(=O)CN(C)c1ccc(cc1)F 34a_100000219829_100011215430 [0,2,0,0,0,0|2,0,0]=4 5591 B16R1.1038 CC(C)OC(=O)CN(C)c1ccc(cc1)I 2230a_100000743151_100011215430 [0,2,0,0,0,0|2,0,0]=4 5592 B16R1.1038 CC(C)OC(=O)CN(C)c1ccc(cc1)I 269982a_100000743151_100011215430 [0,2,0,0,0,0|2,0,0]=4 5593 B16R1.1038 CC(C)OC(=O)CN(C)c1ccc(cc1)I 34a_100000743151_100011215430 [0,2,0,0,0,0|2,0,0]=4 5594 B16R1.1038 CC(C)OC(=O)CN(C)c1ccc(cc1)O 269982a_100000182112_100011215430 [0,2,0,0,0,0|2,0,0]=4 5595 B16R1.1038 CC(C)OC(=O)CN(C)c1ccc(cc1)O 34a_100000182112_100011215430 [0,2,0,0,0,0|2,0,0]=4 5596 B16R1.1038 CN(C)CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000750896_100000188085 [0,2,0,0,0,0|2,0,0]=4 5597 B16R1.1038 CN(C)CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000750896_100000211071 [0,2,0,0,0,0|2,0,0]=4 5598 B16R1.1038 CN(C)CC(=O)CC(=O)c1ccc(cc1)F 1458a_100000750896_100000211279 [0,2,0,0,0,0|2,0,0]=4 5599 B16R1.1038 CN(C)CC(=O)CC(=O)c1ccc(cc1)I 1458a_100000750896_100011216261 [0,2,0,0,0,0|2,0,0]=4 5600 B16R1.1038 CN(C)CC(=O)CC(=O)c1ccc(cc1)O 1458a_100000750896_100009814261 [0,2,0,0,0,0|2,0,0]=4 5601 B16R1.1038 C[C@@H](O)CC(=O)CC(=O)c1ccc(cc1)Br 1458a_100011933948_100000188085 [0,2,0,0,0,0|1,0,0]=3 5602 B16R1.1038 C[C@@H](O)CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100011933948_100000211071 [0,2,0,0,0,0|1,0,0]=3 5603 B16R1.1038 C[C@@H](O)CC(=O)CC(=O)c1ccc(cc1)F 1458a_100011933948_100000211279 [0,2,0,0,0,0|1,0,0]=3 5604 B16R1.1038 C[C@@H](O)CC(=O)CC(=O)c1ccc(cc1)I 1458a_100011933948_100011216261 [0,2,0,0,0,0|1,0,0]=3 5605 B16R1.1038 C[C@@H](O)CC(=O)CC(=O)c1ccc(cc1)O 1458a_100011933948_100009814261 [0,2,0,0,0,0|1,0,0]=3 5606 B16R1.1038 C[C@@H](O)CC(=O)CC(=O)c1ccc(cn1)Cl 1458a_100011933948_100016989621 [0,2,0,0,0,0|2,0,0]=4 5607 B16R1.1038 C[C@@H](O)CC(=O)CC(=O)c1ccc(nc1)Cl 1458a_100011933948_100009864725 [0,2,0,0,0,0|2,0,0]=4 5608 B16R1.1038 C[S+](C)CC(=O)CC(=O)c1ccc(cc1)Br 1458a_200159257847_100000188085 [0,2,0,0,0,0|2,0,0]=4 5609 B16R1.1038 C[S+](C)CC(=O)CC(=O)c1ccc(cc1)Cl 1458a_200159257847_100000211071 [0,2,0,0,0,0|2,0,0]=4 5610 B16R1.1038 C[S+](C)CC(=O)CC(=O)c1ccc(cc1)F 1458a_200159257847_100000211279 [0,2,0,0,0,0|2,0,0]=4 5611 B16R1.1038 C[S+](C)CC(=O)CC(=O)c1ccc(cc1)I 1458a_200159257847_100011216261 [0,2,0,0,0,0|2,0,0]=4 5612 B16R1.1038 C[S+](C)CC(=O)CC(=O)c1ccc(cc1)O 1458a_200159257847_100009814261 [0,2,0,0,0,0|2,0,0]=4 5613 B16R1.1038 Cc1ccc(cc1)C(=O)CC(=O)CC(C)C 1458a_100000210554_100000211441 [0,2,0,0,0,0|1,0,0]=3 5614 B16R1.1038 Cc1ccc(cc1)C(=O)CC(=O)CN(C)C 1458a_100000750896_100000211441 [0,2,0,0,0,0|2,0,0]=4 5615 B16R1.1038 Cc1ccc(cc1)C(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000211441 [0,2,0,0,0,0|1,0,0]=3 5616 B16R1.1038 Cc1ccc(cc1)C(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000211441 [0,2,0,0,0,0|2,0,0]=4 5617 B16R1.1038 Cc1ccc(cc1)C(=O)CC(=O)NC(C)C 1458a_100000188618_100000183996 [0,2,0,0,0,0|1,0,0]=3 5618 B16R1.1038 Cc1ccc(cc1)C(=O)CC(=O)OC(C)C 1458a_100000188618_100011215430 [0,2,0,0,0,0|0,0,0]=2 5619 B16R1.1038 Cc1ccc(cc1)N(C)CC(=O)OC(C)C 2230a_100000219977_100011215430 [0,2,0,0,0,0|2,0,0]=4 5620 B16R1.1038 Cc1ccc(cc1)N(C)CC(=O)OC(C)C 269982a_100000219977_100011215430 [0,2,0,0,0,0|2,0,0]=4 5621 B16R1.1038 Cc1ccc(cc1)N(C)CC(=O)OC(C)C 34a_100000219977_100011215430 [0,2,0,0,0,0|2,0,0]=4 5622 B16R1.1038 Cc1ccc(cn1)C(=O)CC(=O)CC(C)C 1458a_100000210554_100012027583 [0,2,0,0,0,0|2,0,0]=4 5623 B16R1.1038 Cc1ccc(cn1)C(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100012027583 [0,2,0,0,0,0|2,0,0]=4 5624 B16R1.1124 C/C=C(\C)/C(=O)CC(=O)c1ccc(cc1)Br 1458a_100020587367_100000188085 [0,2,0,0,0,0|1,0,1]=4 5625 B16R1.1124 C/C=C(\C)/C(=O)CC(=O)c1ccc(cc1)C 1458a_100020587367_100000211441 [0,2,0,0,0,0|1,0,1]=4 5626 B16R1.1124 C/C=C(\C)/C(=O)CC(=O)c1ccc(cc1)Cl 1458a_100020587367_100000211071 [0,2,0,0,0,0|1,0,1]=4 5627 B16R1.1124 C/C=C(\C)/C(=O)CC(=O)c1ccc(cc1)F 1458a_100020587367_100000211279 [0,2,0,0,0,0|1,0,1]=4 5628 B16R1.1124 C/C=C(\C)/C(=O)CC(=O)c1ccc(cc1)I 1458a_100020587367_100011216261 [0,2,0,0,0,0|1,0,1]=4 5629 B16R1.1124 C/C=C(\C)/C(=O)CC(=O)c1ccc(cc1)O 1458a_100020587367_100009814261 [0,2,0,0,0,0|1,0,1]=4 5630 B16R1.1124 CCC(C)C(=O)CC(=O)c1ccc(cc1)Br 1458a_100011192722_100000188085 [0,2,0,0,0,0|1,0,0]=3 5631 B16R1.1124 CCC(C)C(=O)CC(=O)c1ccc(cc1)C 1458a_100011192722_100000211441 [0,2,0,0,0,0|1,0,0]=3 5632 B16R1.1124 CCC(C)C(=O)CC(=O)c1ccc(cc1)Cl 1458a_100011192722_100000211071 [0,2,0,0,0,0|1,0,0]=3 5633 B16R1.1124 CCC(C)C(=O)CC(=O)c1ccc(cc1)F 1458a_100011192722_100000211279 [0,2,0,0,0,0|1,0,0]=3 5634 B16R1.1124 CCC(C)C(=O)CC(=O)c1ccc(cc1)I 1458a_100011192722_100011216261 [0,2,0,0,0,0|1,0,0]=3 5635 B16R1.1124 CCC(C)C(=O)CC(=O)c1ccc(cc1)O 1458a_100011192722_100009814261 [0,2,0,0,0,0|1,0,0]=3 5636 B16R1.1124 CCC(C)C(=O)CC(=O)c1ccc(cn1)Cl 1458a_100011192722_100016989621 [0,2,0,0,0,0|2,0,0]=4 5637 B16R1.1124 CCC(C)C(=O)CC(=O)c1ccc(nc1)C 1458a_100011192722_100012027583 [0,2,0,0,0,0|2,0,0]=4 5638 B16R1.1124 CCC(C)C(=O)CC(=O)c1ccc(nc1)Cl 1458a_100011192722_100009864725 [0,2,0,0,0,0|2,0,0]=4 5639 B16R1.1124 CCC(O)C(=O)CC(=O)c1ccc(cc1)Br 1458a_100011196387_100000188085 [0,2,0,0,0,0|1,0,0]=3 5640 B16R1.1124 CCC(O)C(=O)CC(=O)c1ccc(cc1)C 1458a_100011196387_100000211441 [0,2,0,0,0,0|1,0,0]=3 5641 B16R1.1124 CCC(O)C(=O)CC(=O)c1ccc(cc1)Cl 1458a_100011196387_100000211071 [0,2,0,0,0,0|1,0,0]=3 5642 B16R1.1124 CCC(O)C(=O)CC(=O)c1ccc(cc1)F 1458a_100011196387_100000211279 [0,2,0,0,0,0|1,0,0]=3 5643 B16R1.1124 CCC(O)C(=O)CC(=O)c1ccc(cc1)I 1458a_100011196387_100011216261 [0,2,0,0,0,0|1,0,0]=3 5644 B16R1.1124 CCC(O)C(=O)CC(=O)c1ccc(cc1)O 1458a_100011196387_100009814261 [0,2,0,0,0,0|1,0,0]=3 5645 B16R1.1124 CCC(O)C(=O)CC(=O)c1ccc(cn1)Cl 1458a_100011196387_100016989621 [0,2,0,0,0,0|2,0,0]=4 5646 B16R1.1124 CCC(O)C(=O)CC(=O)c1ccc(nc1)C 1458a_100011196387_100012027583 [0,2,0,0,0,0|2,0,0]=4 5647 B16R1.1124 CCC(O)C(=O)CC(=O)c1ccc(nc1)Cl 1458a_100011196387_100009864725 [0,2,0,0,0,0|2,0,0]=4 5648 B16R1.1124 CCN(C)C(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100011894763 [0,2,0,0,0,0|1,0,0]=3 5649 B16R1.1124 CCN(C)C(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100011894763 [0,2,0,0,0,0|1,0,0]=3 5650 B16R1.1124 CCN(C)C(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011894763 [0,2,0,0,0,0|1,0,0]=3 5651 B16R1.1124 CCN(C)C(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100011894763 [0,2,0,0,0,0|1,0,0]=3 5652 B16R1.1124 CCN(C)C(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100011894763 [0,2,0,0,0,0|1,0,0]=3 5653 B16R1.1124 CCN(C)C(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100011894763 [0,2,0,0,0,0|1,0,0]=3 5654 B16R1.1124 CNC(=O)C(=O)CC(=O)c1ccc(cc1)Br 1458a_100011218921_100000188085 [0,2,0,0,0,0|2,0,0]=4 5655 B16R1.1124 CNC(=O)C(=O)CC(=O)c1ccc(cc1)C 1458a_100011218921_100000211441 [0,2,0,0,0,0|2,0,0]=4 5656 B16R1.1124 CNC(=O)C(=O)CC(=O)c1ccc(cc1)Cl 1458a_100011218921_100000211071 [0,2,0,0,0,0|2,0,0]=4 5657 B16R1.1124 CNC(=O)C(=O)CC(=O)c1ccc(cc1)F 1458a_100011218921_100000211279 [0,2,0,0,0,0|2,0,0]=4 5658 B16R1.1124 CNC(=O)C(=O)CC(=O)c1ccc(cc1)I 1458a_100011218921_100011216261 [0,2,0,0,0,0|2,0,0]=4 5659 B16R1.1124 CNC(=O)C(=O)CC(=O)c1ccc(cc1)O 1458a_100011218921_100009814261 [0,2,0,0,0,0|2,0,0]=4 5660 B16R1.1124 COC(=O)C(=O)CC(=O)c1ccc(cc1)O 271570a_203496583355_100000216298 [0,2,0,0,0,0|2,0,0]=4 5661 B16R1.1124 COC(C)C(=O)CC(=O)c1ccc(cc1)Br 1458a_100000743197_100000188085 [0,2,0,0,0,0|2,0,0]=4 5662 B16R1.1124 COC(C)C(=O)CC(=O)c1ccc(cc1)C 1458a_100000743197_100000211441 [0,2,0,0,0,0|2,0,0]=4 5663 B16R1.1124 COC(C)C(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000743197_100000211071 [0,2,0,0,0,0|2,0,0]=4 5664 B16R1.1124 COC(C)C(=O)CC(=O)c1ccc(cc1)F 1458a_100000743197_100000211279 [0,2,0,0,0,0|2,0,0]=4 5665 B16R1.1124 COC(C)C(=O)CC(=O)c1ccc(cc1)I 1458a_100000743197_100011216261 [0,2,0,0,0,0|2,0,0]=4 5666 B16R1.1124 COC(C)C(=O)CC(=O)c1ccc(cc1)O 1458a_100000743197_100009814261 [0,2,0,0,0,0|2,0,0]=4 5667 B16R1.1124 CON(C)C(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_100000764215 [0,2,0,0,0,0|2,0,0]=4 5668 B16R1.1124 CON(C)C(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_100000764215 [0,2,0,0,0,0|2,0,0]=4 5669 B16R1.1124 CON(C)C(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000764215 [0,2,0,0,0,0|2,0,0]=4 5670 B16R1.1124 CON(C)C(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_100000764215 [0,2,0,0,0,0|2,0,0]=4 5671 B16R1.1124 CON(C)C(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_100000764215 [0,2,0,0,0,0|2,0,0]=4 5672 B16R1.1124 CON(C)C(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_100000764215 [0,2,0,0,0,0|2,0,0]=4 5673 B16R1.1124 CSC(C)C(=O)CC(=O)c1ccc(cc1)Br 1458a_100000149566_100000188085 [0,2,0,0,0,0|2,0,0]=4 5674 B16R1.1124 CSC(C)C(=O)CC(=O)c1ccc(cc1)C 1458a_100000149566_100000211441 [0,2,0,0,0,0|2,0,0]=4 5675 B16R1.1124 CSC(C)C(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000149566_100000211071 [0,2,0,0,0,0|2,0,0]=4 5676 B16R1.1124 CSC(C)C(=O)CC(=O)c1ccc(cc1)F 1458a_100000149566_100000211279 [0,2,0,0,0,0|2,0,0]=4 5677 B16R1.1124 CSC(C)C(=O)CC(=O)c1ccc(cc1)I 1458a_100000149566_100011216261 [0,2,0,0,0,0|2,0,0]=4 5678 B16R1.1124 CSC(C)C(=O)CC(=O)c1ccc(cc1)O 1458a_100000149566_100009814261 [0,2,0,0,0,0|2,0,0]=4 5679 B16R1.1124 Cc1ccc(cc1)C(=O)CC(=O)C(O)CO 1458a_100011215603_100000211441 [0,2,0,0,0,0|2,0,0]=4 5680 B16R1.1124 O=C(CC(=O)C(O)CO)c1ccc(cc1)Br 1458a_100011215603_100000188085 [0,2,0,0,0,0|2,0,0]=4 5681 B16R1.1124 O=C(CC(=O)C(O)CO)c1ccc(cc1)Cl 1458a_100011215603_100000211071 [0,2,0,0,0,0|2,0,0]=4 5682 B16R1.1124 O=C(CC(=O)C(O)CO)c1ccc(cc1)F 1458a_100011215603_100000211279 [0,2,0,0,0,0|2,0,0]=4 5683 B16R1.1124 O=C(CC(=O)C(O)CO)c1ccc(cc1)I 1458a_100011215603_100011216261 [0,2,0,0,0,0|2,0,0]=4 5684 B16R1.1124 O=C(CC(=O)C(O)CO)c1ccc(cc1)O 1458a_100011215603_100009814261 [0,2,0,0,0,0|2,0,0]=4 5685 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)Br 2230a_100000219632_100000188475 [0,2,0,0,0,0|2,0,0]=4 5686 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)Br 2230a_200000219622_100000210202 [0,2,0,0,0,0|2,0,0]=4 5687 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)Br 269982a_100000219632_100000188475 [0,2,0,0,0,0|2,0,0]=4 5688 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)Br 269982a_200000219622_100000204670 [0,2,0,0,0,0|2,0,0]=4 5689 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)Br 34a_100000219632_100000188475 [0,2,0,0,0,0|2,0,0]=4 5690 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)C 2230a_100000219976_100000210202 [0,2,0,0,0,0|2,0,0]=4 5691 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)C 2230a_100000219985_100000188475 [0,2,0,0,0,0|2,0,0]=4 5692 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)C 269982a_100000219976_100000204670 [0,2,0,0,0,0|2,0,0]=4 5693 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)C 269982a_100000219985_100000188475 [0,2,0,0,0,0|2,0,0]=4 5694 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)C 34a_100000219985_100000188475 [0,2,0,0,0,0|2,0,0]=4 5695 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)Cl 2230a_100000220165_100000188475 [0,2,0,0,0,0|2,0,0]=4 5696 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)Cl 2230a_200000220156_100000210202 [0,2,0,0,0,0|2,0,0]=4 5697 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)Cl 269982a_100000220165_100000188475 [0,2,0,0,0,0|2,0,0]=4 5698 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)Cl 269982a_200000220156_100000204670 [0,2,0,0,0,0|2,0,0]=4 5699 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)Cl 34a_100000220165_100000188475 [0,2,0,0,0,0|2,0,0]=4 5700 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)F 2230a_100102640331_100000188475 [0,2,0,0,0,0|2,0,0]=4 5701 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)F 269982a_100102640331_100000188475 [0,2,0,0,0,0|2,0,0]=4 5702 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)F 34a_100102640331_100000188475 [0,2,0,0,0,0|2,0,0]=4 5703 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)I 2230a_200000220479_100000210202 [0,2,0,0,0,0|2,0,0]=4 5704 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)I 269982a_200000220479_100000204670 [0,2,0,0,0,0|2,0,0]=4 5705 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)O 2230a_100011337800_100000188475 [0,2,0,0,0,0|2,0,0]=4 5706 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)O 269982a_100011337800_100000188475 [0,2,0,0,0,0|2,0,0]=4 5707 B16R1.1521 CCOC(=O)CN(CC)c1ccc(cc1)O 34a_100011337800_100000188475 [0,2,0,0,0,0|2,0,0]=4 5708 B16R1.1521 CCOC(=O)CN(CF)c1ccc(cc1)Br 269982a_200000219622_100015361967 [0,2,0,0,0,0|2,0,0]=4 5709 B16R1.1521 CCOC(=O)CN(CF)c1ccc(cc1)C 269982a_100000219976_100015361967 [0,2,0,0,0,0|2,0,0]=4 5710 B16R1.1521 CCOC(=O)CN(CF)c1ccc(cc1)Cl 269982a_200000220156_100015361967 [0,2,0,0,0,0|2,0,0]=4 5711 B16R1.1521 CCOC(=O)CN(CF)c1ccc(cc1)I 269982a_200000220479_100015361967 [0,2,0,0,0,0|2,0,0]=4 5712 B16R1.4218 C#Cc1ccc(cc1)C(=O)CC(=O)CCC 1458a_100011217615_100000747444 [0,2,0,0,0,0|1,0,0]=3 5713 B16R1.4218 C#Cc1ccc(cc1)C(=O)CC(=O)NCC 1458a_100011217615_100000183381 [0,2,0,0,0,0|1,0,0]=3 5714 B16R1.4218 C#Cc1ccc(cc1)C(=O)CC(=O)NCO 1458a_100011217615_100000185155 [0,2,0,0,0,0|2,0,0]=4 5715 B16R1.4218 C#Cc1ccc(cc1)C(=O)CC(=O)OC=C 1458a_100011217615_100000036128 [0,2,0,0,0,0|0,0,2]=4 5716 B16R1.4218 C#Cc1ccc(cc1)C(=O)CC(=O)OCC 1458a_100011217615_100000188475 [0,2,0,0,0,0|0,0,0]=2 5717 B16R1.4218 C=COC(=O)CC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000036128 [0,2,0,0,0,0|0,0,2]=4 5718 B16R1.4218 C=COC(=O)CC(=O)c1ccc(cc1)C=C 1458a_100000687532_100000036128 [0,2,0,0,0,0|0,0,2]=4 5719 B16R1.4218 C=COC(=O)CC(=O)c1ccc(cc1)CC 1458a_100000211226_100000036128 [0,2,0,0,0,0|0,0,2]=4 5720 B16R1.4218 C=COC(=O)CC(=O)c1ccc(cc1)CO 1458a_100000183892_100000036128 [0,2,0,0,0,0|0,0,2]=4 5721 B16R1.4218 C=COC(=O)CC(=O)c1ccc(cc1)OC 1458a_100000184203_100000036128 [0,2,0,0,0,0|0,0,2]=4 5722 B16R1.4218 C=COC(=O)CC(=O)c1ccc(cc1)SC 1458a_100000189692_100000036128 [0,2,0,0,0,0|0,0,2]=4 5723 B16R1.4218 C=Cc1ccc(cc1)C(=O)CC(=O)CCC 1458a_100000687532_100000747444 [0,2,0,0,0,0|1,0,0]=3 5724 B16R1.4218 C=Cc1ccc(cc1)C(=O)CC(=O)NCC 1458a_100000687532_100000183381 [0,2,0,0,0,0|1,0,0]=3 5725 B16R1.4218 C=Cc1ccc(cc1)C(=O)CC(=O)NCO 1458a_100000687532_100000185155 [0,2,0,0,0,0|2,0,0]=4 5726 B16R1.4218 C=Cc1ccc(cc1)C(=O)CC(=O)OCC 1458a_100000687532_100000188475 [0,2,0,0,0,0|0,0,0]=2 5727 B16R1.4218 C=Cc1ccc(cc1)C(=O)CC(=O)OCC 271570a_100011290941_100011248966 [0,2,0,0,0,0|0,0,0]=2 5728 B16R1.4218 C=Cc1ccc(cc1)C(N)CC(=O)OCC 271570a_100011290941_100000750415 [0,2,0,0,0,0|1,0,1]=4 5729 B16R1.4218 CC#CC(=O)CC(=O)c1ccc(cc1)C#N 1458a_100000763181_100000212069 [0,2,0,0,0,0|1,0,1]=4 5730 B16R1.4218 CC#CC(=O)CC(=O)c1ccc(cc1)CC 1458a_100000763181_100000689809 [0,2,0,0,0,0|1,0,1]=4 5731 B16R1.4218 CC#CC(=O)CC(=O)c1ccc(cc1)OC 1458a_100000763181_100000212054 [0,2,0,0,0,0|1,0,1]=4 5732 B16R1.4218 CC=CC(=O)CC(=O)c1ccc(cc1)C#N 1458a_100000210699_100000212069 [0,2,0,0,0,0|1,0,1]=4 5733 B16R1.4218 CC=CC(=O)CC(=O)c1ccc(cc1)CC 1458a_100000210699_100000689809 [0,2,0,0,0,0|1,0,1]=4 5734 B16R1.4218 CC=CC(=O)CC(=O)c1ccc(cc1)OC 1458a_100000210699_100000212054 [0,2,0,0,0,0|1,0,1]=4 5735 B16R1.4218 CCCC(=O)CC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000747444 [0,2,0,0,0,0|1,0,0]=3 5736 B16R1.4218 CCCC(=O)CC(=O)c1ccc(cc1)C#N 1458a_100000211992_100000212069 [0,2,0,0,0,0|1,0,0]=3 5737 B16R1.4218 CCCC(=O)CC(=O)c1ccc(cc1)CC 1458a_100000211226_100000747444 [0,2,0,0,0,0|1,0,0]=3 5738 B16R1.4218 CCCC(=O)CC(=O)c1ccc(cc1)CC 1458a_100000211992_100000689809 [0,2,0,0,0,0|1,0,0]=3 5739 B16R1.4218 CCCC(=O)CC(=O)c1ccc(cc1)CO 1458a_100000183892_100000747444 [0,2,0,0,0,0|1,0,0]=3 5740 B16R1.4218 CCCC(=O)CC(=O)c1ccc(cc1)OC 1458a_100000184203_100000747444 [0,2,0,0,0,0|1,0,0]=3 5741 B16R1.4218 CCCC(=O)CC(=O)c1ccc(cc1)OC 1458a_100000211992_100000212054 [0,2,0,0,0,0|1,0,0]=3 5742 B16R1.4218 CCCC(=O)CC(=O)c1ccc(cc1)SC 1458a_100000189692_100000747444 [0,2,0,0,0,0|1,0,0]=3 5743 B16R1.4218 CCNC(=O)CC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000183381 [0,2,0,0,0,0|1,0,0]=3 5744 B16R1.4218 CCNC(=O)CC(=O)c1ccc(cc1)CC 1458a_100000211226_100000183381 [0,2,0,0,0,0|1,0,0]=3 5745 B16R1.4218 CCNC(=O)CC(=O)c1ccc(cc1)CO 1458a_100000183892_100000183381 [0,2,0,0,0,0|1,0,0]=3 5746 B16R1.4218 CCNC(=O)CC(=O)c1ccc(cc1)OC 1458a_100000184203_100000183381 [0,2,0,0,0,0|1,0,0]=3 5747 B16R1.4218 CCNC(=O)CC(=O)c1ccc(cc1)SC 1458a_100000189692_100000183381 [0,2,0,0,0,0|1,0,0]=3 5748 B16R1.4218 CCOC(=O)/C=C(\C)/c1ccc(cc1)C#N 271570a_100050291487_100000179745 [0,2,0,0,0,0|1,0,1]=4 5749 B16R1.4218 CCOC(=O)/C=C(\C)/c1ccc(cc1)C=O 271570a_100050291487_100000186029 [0,2,0,0,0,0|1,0,1]=4 5750 B16R1.4218 CCOC(=O)/C=C(\C)/c1ccc(cc1)CC 271570a_100050291487_100011215824 [0,2,0,0,0,0|1,0,1]=4 5751 B16R1.4218 CCOC(=O)/C=C(\C)/c1ccc(cc1)CF 271570a_100050291487_100010268989 [0,2,0,0,0,0|1,0,1]=4 5752 B16R1.4218 CCOC(=O)/C=C(\C)/c1ccc(cc1)CN 271570a_100050291487_100016989417 [0,2,0,0,0,0|1,0,1]=4 5753 B16R1.4218 CCOC(=O)/C=C(\C)/c1ccc(cc1)CO 271570a_100050291487_100000690907 [0,2,0,0,0,0|1,0,1]=4 5754 B16R1.4218 CCOC(=O)/C=C(\C)/c1ccc(cc1)NC 271570a_100050291487_100000219623 [0,2,0,0,0,0|1,0,1]=4 5755 B16R1.4218 CCOC(=O)/C=C(\C)/c1ccc(cc1)NN 271570a_100050291487_100016988836 [0,2,0,0,0,0|1,0,1]=4 5756 B16R1.4218 CCOC(=O)/C=C(\C)/c1ccc(cc1)OC 271570a_100050291487_100000171711 [0,2,0,0,0,0|1,0,1]=4 5757 B16R1.4218 CCOC(=O)/C=C(\C)/c1ccc(cc1)SC 271570a_100050291487_100011263217 [0,2,0,0,0,0|1,0,1]=4 5758 B16R1.4218 CCOC(=O)CC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000188475 [0,2,0,0,0,0|0,0,0]=2 5759 B16R1.4218 CCOC(=O)CC(=O)c1ccc(cc1)CC 1458a_100000211226_100000188475 [0,2,0,0,0,0|0,0,0]=2 5760 B16R1.4218 CCOC(=O)CC(=O)c1ccc(cc1)CO 1458a_100000183892_100000188475 [0,2,0,0,0,0|0,0,0]=2 5761 B16R1.4218 CCOC(=O)CC(=O)c1ccc(cc1)OC 1458a_100000184203_100000188475 [0,2,0,0,0,0|0,0,0]=2 5762 B16R1.4218 CCOC(=O)CC(=O)c1ccc(cc1)SC 1458a_100000189692_100000188475 [0,2,0,0,0,0|0,0,0]=2 5763 B16R1.4218 CCOC(=O)CC(=O)c1ccc(cc1)SC 62a_100011248966_200000210301 [0,2,0,0,0,0|0,0,0]=2 5764 B16R1.4218 CCOC(=O)CC(=O)c1ccc(cc1)SC 62a_200000210301_100012047250 [0,2,0,0,0,0|0,0,0]=2 5765 B16R1.4218 CCOC(=O)CC(=O)c1ccc(cc1)S[13CH3] 62a_100011248966_200025704644 [0,2,0,0,0,0|0,0,0]=2 5766 B16R1.4218 CCOC(=O)CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100012047250 [0,2,0,0,0,0|0,0,0]=2 5767 B16R1.4218 CCOC(=O)CC(N)c1ccc(cc1)SC 62a_100000750415_200000210301 [0,2,0,0,0,0|1,0,1]=4 5768 B16R1.4218 CCOC(=O)CC(N)c1ccc(cc1)SC 62a_200000210301_100000750415 [0,2,0,0,0,0|1,0,1]=4 5769 B16R1.4218 CCOC(=O)CC(N)c1ccc(cc1)S[13CH3] 62a_100000750415_200025704644 [0,2,0,0,0,0|1,0,1]=4 5770 B16R1.4218 CCOC(=O)CC(N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000750415 [0,2,0,0,0,0|1,0,1]=4 5771 B16R1.4218 CCOC(=O)CN(C)c1ccc(cc1)C#N 269982a_100000739737_100000188475 [0,2,0,0,0,0|2,0,0]=4 5772 B16R1.4218 CCOC(=O)CN(C)c1ccc(cc1)C#N 34a_100000739737_100000188475 [0,2,0,0,0,0|2,0,0]=4 5773 B16R1.4218 CCOC(=O)CN(C)c1ccc(cc1)OC 2230a_100000220022_200000210301 [0,2,0,0,0,0|2,0,0]=4 5774 B16R1.4218 CCOC(=O)CN(C)c1ccc(cc1)OC 2230a_100000220023_100000188475 [0,2,0,0,0,0|2,0,0]=4 5775 B16R1.4218 CCOC(=O)CN(C)c1ccc(cc1)OC 269982a_100000220022_200000210301 [0,2,0,0,0,0|2,0,0]=4 5776 B16R1.4218 CCOC(=O)CN(C)c1ccc(cc1)OC 269982a_100000220023_100000188475 [0,2,0,0,0,0|2,0,0]=4 5777 B16R1.4218 CCOC(=O)CN(C)c1ccc(cc1)OC 34a_100000220023_100000188475 [0,2,0,0,0,0|2,0,0]=4 5778 B16R1.4218 CCOC(=O)CN([13CH3])c1ccc(cc1)OC 2230a_100000220022_200025704644 [0,2,0,0,0,0|2,0,0]=4 5779 B16R1.4218 CCOC(=O)CN([13CH3])c1ccc(cc1)OC 269982a_100000220022_200025704644 [0,2,0,0,0,0|2,0,0]=4 5780 B16R1.4218 CCc1ccc(cc1)C(=O)CC(=O)CCO 1458a_100011216618_100000689809 [0,2,0,0,0,0|2,0,0]=4 5781 B16R1.4218 CCc1ccc(cc1)C(=O)CC(=O)COC 1458a_100000210968_100000689809 [0,2,0,0,0,0|2,0,0]=4 5782 B16R1.4218 CCc1ccc(cc1)C(=O)CC(=O)CSC 1458a_100000184570_100000689809 [0,2,0,0,0,0|2,0,0]=4 5783 B16R1.4218 CCc1ccc(cc1)C(=O)CC(=O)NCO 1458a_100000211226_100000185155 [0,2,0,0,0,0|2,0,0]=4 5784 B16R1.4218 COCC(=O)CC(=O)c1ccc(cc1)C#N 1458a_100000210968_100000212069 [0,2,0,0,0,0|2,0,0]=4 5785 B16R1.4218 COCC(=O)CC(=O)c1ccc(cc1)OC 1458a_100000210968_100000212054 [0,2,0,0,0,0|2,0,0]=4 5786 B16R1.4218 COc1ccc(cc1)C(=O)CC(=O)CCO 1458a_100011216618_100000212054 [0,2,0,0,0,0|2,0,0]=4 5787 B16R1.4218 COc1ccc(cc1)C(=O)CC(=O)CSC 1458a_100000184570_100000212054 [0,2,0,0,0,0|2,0,0]=4 5788 B16R1.4218 COc1ccc(cc1)C(=O)CC(=O)NCO 1458a_100000184203_100000185155 [0,2,0,0,0,0|2,0,0]=4 5789 B16R1.4218 CSCC(=O)CC(=O)c1ccc(cc1)C#N 1458a_100000184570_100000212069 [0,2,0,0,0,0|2,0,0]=4 5790 B16R1.4218 CSc1ccc(cc1)C(=O)CC(=O)NCO 1458a_100000189692_100000185155 [0,2,0,0,0,0|2,0,0]=4 5791 B16R1.4218 N#Cc1ccc(cc1)C(=O)CC(=O)CCO 1458a_100011216618_100000212069 [0,2,0,0,0,0|2,0,0]=4 5792 B16R1.4218 N#Cc1ccc(cc1)C(=O)CC(=O)NCO 1458a_100000210717_100000185155 [0,2,0,0,0,0|2,0,0]=4 5793 B16R1.4218 O=C(CC(=O)c1ccc(cc1)CO)NCO 1458a_100000183892_100000185155 [0,2,0,0,0,0|2,0,0]=4 5794 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000036128 [0,2,0,0,0,0|0,0,2]=4 5795 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000036128 [0,2,0,0,0,0|0,0,2]=4 5796 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000036128 [0,2,0,0,0,0|0,0,2]=4 5797 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000036128 [0,2,0,0,0,0|0,0,2]=4 5798 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000036128 [0,2,0,0,0,0|0,0,2]=4 5799 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000036128 [0,2,0,0,0,0|0,0,2]=4 5800 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000036128 [0,2,0,0,0,0|0,0,2]=4 5801 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000036128 [0,2,0,0,0,0|0,0,2]=4 5802 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000036128 [0,2,0,0,0,0|0,0,2]=4 5803 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000036128 [0,2,0,0,0,0|0,0,2]=4 5804 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000036128 [0,2,0,0,0,0|0,0,2]=4 5805 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000036128 [0,2,0,0,0,0|0,0,2]=4 5806 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000036128 [0,2,0,0,0,0|0,0,2]=4 5807 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000036128 [0,2,0,0,0,0|0,0,2]=4 5808 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000036128 [0,2,0,0,0,0|0,0,2]=4 5809 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000036128 [0,2,0,0,0,0|0,0,2]=4 5810 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000036128 [0,2,0,0,0,0|0,0,2]=4 5811 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000036128 [0,2,0,0,0,0|0,0,2]=4 5812 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000036128 [0,2,0,0,0,0|0,0,2]=4 5813 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000036128 [0,2,0,0,0,0|0,0,2]=4 5814 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000036128 [0,2,0,0,0,0|0,0,2]=4 5815 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000036128 [0,2,0,0,0,0|0,0,2]=4 5816 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000036128 [0,2,0,0,0,0|0,0,2]=4 5817 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000036128 [0,2,0,0,0,0|0,0,2]=4 5818 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000036128 [0,2,0,0,0,0|0,0,2]=4 5819 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000036128 [0,2,0,0,0,0|0,0,2]=4 5820 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000036128 [0,2,0,0,0,0|0,0,2]=4 5821 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000036128 [0,2,0,0,0,0|0,0,2]=4 5822 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000036128 [0,2,0,0,0,0|0,0,2]=4 5823 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000036128 [0,2,0,0,0,0|0,0,2]=4 5824 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000036128 [0,2,0,0,0,0|0,0,2]=4 5825 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000036128 [0,2,0,0,0,0|0,0,2]=4 5826 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000036128 [0,2,0,0,0,0|0,0,2]=4 5827 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000036128 [0,2,0,0,0,0|0,0,2]=4 5828 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000036128 [0,2,0,0,0,0|0,0,2]=4 5829 B16R1.4231 C=COC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000036128 [0,2,0,0,0,0|0,0,2]=4 5830 B16R1.4231 CC#CC(=O)CC(=O)c1ccc(c(c1)Br)C 1458a_100000763181_100012346676 [0,2,0,0,0,0|1,0,1]=4 5831 B16R1.4231 CC#CC(=O)CC(=O)c1ccc(c(c1)Br)F 1458a_100000763181_100011217175 [0,2,0,0,0,0|1,0,1]=4 5832 B16R1.4231 CC#CC(=O)CC(=O)c1ccc(c(c1)C)C 1458a_100000763181_100000183365 [0,2,0,0,0,0|1,0,1]=4 5833 B16R1.4231 CC#CC(=O)CC(=O)c1ccc(c(c1)C)Cl 1458a_100000763181_200011216723 [0,2,0,0,0,0|1,0,1]=4 5834 B16R1.4231 CC#CC(=O)CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000763181_200012349649 [0,2,0,0,0,0|1,0,1]=4 5835 B16R1.4231 CC#CC(=O)CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000763181_100000211430 [0,2,0,0,0,0|1,0,1]=4 5836 B16R1.4231 CC#CC(=O)CC(=O)c1ccc(c(c1)Cl)F 1458a_100000763181_100000757878 [0,2,0,0,0,0|1,0,1]=4 5837 B16R1.4231 CC#CC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000763181_200010170092 [0,2,0,0,0,0|1,0,1]=4 5838 B16R1.4231 CC#CC(=O)CC(=O)c1ccc(c(c1)F)Br 1458a_100000763181_100012361357 [0,2,0,0,0,0|1,0,1]=4 5839 B16R1.4231 CC#CC(=O)CC(=O)c1ccc(c(c1)F)C 1458a_100000763181_100011219196 [0,2,0,0,0,0|1,0,1]=4 5840 B16R1.4231 CC#CC(=O)CC(=O)c1ccc(c(c1)F)Cl 1458a_100000763181_100012351892 [0,2,0,0,0,0|1,0,1]=4 5841 B16R1.4231 CC#CC(=O)CC(=O)c1ccc(c(c1)F)F 1458a_100000763181_100000183380 [0,2,0,0,0,0|1,0,1]=4 5842 B16R1.4231 CC#CC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000763181_100000183813 [0,2,0,0,0,0|1,0,1]=4 5843 B16R1.4231 CC=CC(=O)CC(=O)c1ccc(c(c1)Br)C 1458a_100000210699_100012346676 [0,2,0,0,0,0|1,0,1]=4 5844 B16R1.4231 CC=CC(=O)CC(=O)c1ccc(c(c1)Br)F 1458a_100000210699_100011217175 [0,2,0,0,0,0|1,0,1]=4 5845 B16R1.4231 CC=CC(=O)CC(=O)c1ccc(c(c1)C)C 1458a_100000210699_100000183365 [0,2,0,0,0,0|1,0,1]=4 5846 B16R1.4231 CC=CC(=O)CC(=O)c1ccc(c(c1)C)Cl 1458a_100000210699_200011216723 [0,2,0,0,0,0|1,0,1]=4 5847 B16R1.4231 CC=CC(=O)CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000210699_200012349649 [0,2,0,0,0,0|1,0,1]=4 5848 B16R1.4231 CC=CC(=O)CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210699_100000211430 [0,2,0,0,0,0|1,0,1]=4 5849 B16R1.4231 CC=CC(=O)CC(=O)c1ccc(c(c1)Cl)F 1458a_100000210699_100000757878 [0,2,0,0,0,0|1,0,1]=4 5850 B16R1.4231 CC=CC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000210699_200010170092 [0,2,0,0,0,0|1,0,1]=4 5851 B16R1.4231 CC=CC(=O)CC(=O)c1ccc(c(c1)F)Br 1458a_100000210699_100012361357 [0,2,0,0,0,0|1,0,1]=4 5852 B16R1.4231 CC=CC(=O)CC(=O)c1ccc(c(c1)F)C 1458a_100000210699_100011219196 [0,2,0,0,0,0|1,0,1]=4 5853 B16R1.4231 CC=CC(=O)CC(=O)c1ccc(c(c1)F)Cl 1458a_100000210699_100012351892 [0,2,0,0,0,0|1,0,1]=4 5854 B16R1.4231 CC=CC(=O)CC(=O)c1ccc(c(c1)F)F 1458a_100000210699_100000183380 [0,2,0,0,0,0|1,0,1]=4 5855 B16R1.4231 CC=CC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000210699_100000183813 [0,2,0,0,0,0|1,0,1]=4 5856 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000747444 [0,2,0,0,0,0|1,0,0]=3 5857 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000747444 [0,2,0,0,0,0|1,0,0]=3 5858 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Br)C 1458a_100000211992_100012346676 [0,2,0,0,0,0|1,0,0]=3 5859 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000747444 [0,2,0,0,0,0|1,0,0]=3 5860 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Br)F 1458a_100000211992_100011217175 [0,2,0,0,0,0|1,0,0]=3 5861 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000747444 [0,2,0,0,0,0|1,0,0]=3 5862 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000747444 [0,2,0,0,0,0|1,0,0]=3 5863 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000747444 [0,2,0,0,0,0|1,0,0]=3 5864 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000747444 [0,2,0,0,0,0|1,0,0]=3 5865 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000747444 [0,2,0,0,0,0|1,0,0]=3 5866 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)C)C 1458a_100000211992_100000183365 [0,2,0,0,0,0|1,0,0]=3 5867 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)C)Cl 1458a_100000211992_200011216723 [0,2,0,0,0,0|1,0,0]=3 5868 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000747444 [0,2,0,0,0,0|1,0,0]=3 5869 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000747444 [0,2,0,0,0,0|1,0,0]=3 5870 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000747444 [0,2,0,0,0,0|1,0,0]=3 5871 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000747444 [0,2,0,0,0,0|1,0,0]=3 5872 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000211992_200012349649 [0,2,0,0,0,0|1,0,0]=3 5873 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000747444 [0,2,0,0,0,0|1,0,0]=3 5874 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000747444 [0,2,0,0,0,0|1,0,0]=3 5875 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000747444 [0,2,0,0,0,0|1,0,0]=3 5876 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000211992_100000211430 [0,2,0,0,0,0|1,0,0]=3 5877 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Cl)F 1458a_100000211992_100000757878 [0,2,0,0,0,0|1,0,0]=3 5878 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000747444 [0,2,0,0,0,0|1,0,0]=3 5879 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000747444 [0,2,0,0,0,0|1,0,0]=3 5880 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000211992_200010170092 [0,2,0,0,0,0|1,0,0]=3 5881 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000747444 [0,2,0,0,0,0|1,0,0]=3 5882 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)F)Br 1458a_100000211992_100012361357 [0,2,0,0,0,0|1,0,0]=3 5883 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000747444 [0,2,0,0,0,0|1,0,0]=3 5884 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)F)C 1458a_100000211992_100011219196 [0,2,0,0,0,0|1,0,0]=3 5885 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000747444 [0,2,0,0,0,0|1,0,0]=3 5886 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)F)Cl 1458a_100000211992_100012351892 [0,2,0,0,0,0|1,0,0]=3 5887 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000747444 [0,2,0,0,0,0|1,0,0]=3 5888 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000747444 [0,2,0,0,0,0|1,0,0]=3 5889 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)F)F 1458a_100000211992_100000183380 [0,2,0,0,0,0|1,0,0]=3 5890 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000747444 [0,2,0,0,0,0|1,0,0]=3 5891 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000747444 [0,2,0,0,0,0|1,0,0]=3 5892 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000747444 [0,2,0,0,0,0|1,0,0]=3 5893 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000747444 [0,2,0,0,0,0|1,0,0]=3 5894 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000747444 [0,2,0,0,0,0|1,0,0]=3 5895 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000747444 [0,2,0,0,0,0|1,0,0]=3 5896 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000747444 [0,2,0,0,0,0|1,0,0]=3 5897 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000747444 [0,2,0,0,0,0|1,0,0]=3 5898 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000747444 [0,2,0,0,0,0|1,0,0]=3 5899 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000747444 [0,2,0,0,0,0|1,0,0]=3 5900 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000747444 [0,2,0,0,0,0|1,0,0]=3 5901 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000747444 [0,2,0,0,0,0|1,0,0]=3 5902 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000747444 [0,2,0,0,0,0|1,0,0]=3 5903 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000211992_100000183813 [0,2,0,0,0,0|1,0,0]=3 5904 B16R1.4231 CCCC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000747444 [0,2,0,0,0,0|1,0,0]=3 5905 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000183381 [0,2,0,0,0,0|1,0,0]=3 5906 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000183381 [0,2,0,0,0,0|1,0,0]=3 5907 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000183381 [0,2,0,0,0,0|1,0,0]=3 5908 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000183381 [0,2,0,0,0,0|1,0,0]=3 5909 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000183381 [0,2,0,0,0,0|1,0,0]=3 5910 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000183381 [0,2,0,0,0,0|1,0,0]=3 5911 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000183381 [0,2,0,0,0,0|1,0,0]=3 5912 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000183381 [0,2,0,0,0,0|1,0,0]=3 5913 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000183381 [0,2,0,0,0,0|1,0,0]=3 5914 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000183381 [0,2,0,0,0,0|1,0,0]=3 5915 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000183381 [0,2,0,0,0,0|1,0,0]=3 5916 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000183381 [0,2,0,0,0,0|1,0,0]=3 5917 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000183381 [0,2,0,0,0,0|1,0,0]=3 5918 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000183381 [0,2,0,0,0,0|1,0,0]=3 5919 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000183381 [0,2,0,0,0,0|1,0,0]=3 5920 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000183381 [0,2,0,0,0,0|1,0,0]=3 5921 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000183381 [0,2,0,0,0,0|1,0,0]=3 5922 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000183381 [0,2,0,0,0,0|1,0,0]=3 5923 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000183381 [0,2,0,0,0,0|1,0,0]=3 5924 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000183381 [0,2,0,0,0,0|1,0,0]=3 5925 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000183381 [0,2,0,0,0,0|1,0,0]=3 5926 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000183381 [0,2,0,0,0,0|1,0,0]=3 5927 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000183381 [0,2,0,0,0,0|1,0,0]=3 5928 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000183381 [0,2,0,0,0,0|1,0,0]=3 5929 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000183381 [0,2,0,0,0,0|1,0,0]=3 5930 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000183381 [0,2,0,0,0,0|1,0,0]=3 5931 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000183381 [0,2,0,0,0,0|1,0,0]=3 5932 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000183381 [0,2,0,0,0,0|1,0,0]=3 5933 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000183381 [0,2,0,0,0,0|1,0,0]=3 5934 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000183381 [0,2,0,0,0,0|1,0,0]=3 5935 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000183381 [0,2,0,0,0,0|1,0,0]=3 5936 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000183381 [0,2,0,0,0,0|1,0,0]=3 5937 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000183381 [0,2,0,0,0,0|1,0,0]=3 5938 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000183381 [0,2,0,0,0,0|1,0,0]=3 5939 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000183381 [0,2,0,0,0,0|1,0,0]=3 5940 B16R1.4231 CCNC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000183381 [0,2,0,0,0,0|1,0,0]=3 5941 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)Br)Br 271570a_100050291487_100012356285 [0,2,0,0,0,0|1,0,1]=4 5942 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)Br)C 271570a_100050291487_100011847877 [0,2,0,0,0,0|1,0,1]=4 5943 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)Br)Cl 271570a_100050291487_100012353702 [0,2,0,0,0,0|1,0,1]=4 5944 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)Br)F 271570a_100050291487_100012047266 [0,2,0,0,0,0|1,0,1]=4 5945 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)Br)N 271570a_100050291487_100000750455 [0,2,0,0,0,0|1,0,1]=4 5946 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)Br)O 271570a_100050291487_100012361655 [0,2,0,0,0,0|1,0,1]=4 5947 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)C)Br 271570a_100050291487_100009813585 [0,2,0,0,0,0|1,0,1]=4 5948 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)C)C 271570a_100050291487_100011215607 [0,2,0,0,0,0|1,0,1]=4 5949 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)C)Cl 271570a_100050291487_100000049509 [0,2,0,0,0,0|1,0,1]=4 5950 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)C)F 271570a_100050291487_100011218330 [0,2,0,0,0,0|1,0,1]=4 5951 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)C)N 271570a_100050291487_100000211769 [0,2,0,0,0,0|1,0,1]=4 5952 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)C)O 271570a_100050291487_100000186361 [0,2,0,0,0,0|1,0,1]=4 5953 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)Cl)Br 271570a_100050291487_100012047281 [0,2,0,0,0,0|1,0,1]=4 5954 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)Cl)C 271570a_100050291487_100011216363 [0,2,0,0,0,0|1,0,1]=4 5955 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)Cl)Cl 271570a_100050291487_100011214914 [0,2,0,0,0,0|1,0,1]=4 5956 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)Cl)F 271570a_100050291487_100011215976 [0,2,0,0,0,0|1,0,1]=4 5957 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)Cl)N 271570a_100050291487_100011218065 [0,2,0,0,0,0|1,0,1]=4 5958 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)Cl)O 271570a_100050291487_100012360047 [0,2,0,0,0,0|1,0,1]=4 5959 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)F)Br 271570a_100050291487_100000685389 [0,2,0,0,0,0|1,0,1]=4 5960 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)F)C 271570a_100050291487_100000720648 [0,2,0,0,0,0|1,0,1]=4 5961 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)F)Cl 271570a_100050291487_100011216805 [0,2,0,0,0,0|1,0,1]=4 5962 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)F)F 271570a_100050291487_100000750028 [0,2,0,0,0,0|1,0,1]=4 5963 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)F)N 271570a_100050291487_100011215594 [0,2,0,0,0,0|1,0,1]=4 5964 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)F)O 271570a_100050291487_100000185481 [0,2,0,0,0,0|1,0,1]=4 5965 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)N)Br 271570a_100050291487_100000750456 [0,2,0,0,0,0|1,0,1]=4 5966 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)N)C 271570a_100050291487_100000761890 [0,2,0,0,0,0|1,0,1]=4 5967 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)N)Cl 271570a_100050291487_200000761891 [0,2,0,0,0,0|1,0,1]=4 5968 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)N)F 271570a_100050291487_100000740924 [0,2,0,0,0,0|1,0,1]=4 5969 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)N)N 271570a_100050291487_100000741789 [0,2,0,0,0,0|1,0,1]=4 5970 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)N)O 271570a_100050291487_100000752626 [0,2,0,0,0,0|1,0,1]=4 5971 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)O)Br 271570a_100050291487_100012356990 [0,2,0,0,0,0|1,0,1]=4 5972 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)O)C 271570a_100050291487_100000766334 [0,2,0,0,0,0|1,0,1]=4 5973 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)O)Cl 271570a_100050291487_100011356854 [0,2,0,0,0,0|1,0,1]=4 5974 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)O)F 271570a_100050291487_100000686035 [0,2,0,0,0,0|1,0,1]=4 5975 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)O)N 271570a_100050291487_100000739049 [0,2,0,0,0,0|1,0,1]=4 5976 B16R1.4231 CCOC(=O)/C=C(\C)/c1ccc(c(c1)O)O 271570a_100050291487_100009813601 [0,2,0,0,0,0|1,0,1]=4 5977 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000188475 [0,2,0,0,0,0|0,0,0]=2 5978 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000188475 [0,2,0,0,0,0|0,0,0]=2 5979 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000188475 [0,2,0,0,0,0|0,0,0]=2 5980 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000188475 [0,2,0,0,0,0|0,0,0]=2 5981 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000188475 [0,2,0,0,0,0|0,0,0]=2 5982 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000188475 [0,2,0,0,0,0|0,0,0]=2 5983 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000188475 [0,2,0,0,0,0|0,0,0]=2 5984 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000188475 [0,2,0,0,0,0|0,0,0]=2 5985 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000188475 [0,2,0,0,0,0|0,0,0]=2 5986 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000188475 [0,2,0,0,0,0|0,0,0]=2 5987 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000188475 [0,2,0,0,0,0|0,0,0]=2 5988 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000188475 [0,2,0,0,0,0|0,0,0]=2 5989 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000188475 [0,2,0,0,0,0|0,0,0]=2 5990 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000188475 [0,2,0,0,0,0|0,0,0]=2 5991 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000188475 [0,2,0,0,0,0|0,0,0]=2 5992 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000188475 [0,2,0,0,0,0|0,0,0]=2 5993 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000188475 [0,2,0,0,0,0|0,0,0]=2 5994 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000188475 [0,2,0,0,0,0|0,0,0]=2 5995 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000188475 [0,2,0,0,0,0|0,0,0]=2 5996 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000188475 [0,2,0,0,0,0|0,0,0]=2 5997 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000188475 [0,2,0,0,0,0|0,0,0]=2 5998 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000188475 [0,2,0,0,0,0|0,0,0]=2 5999 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000188475 [0,2,0,0,0,0|0,0,0]=2 6000 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000188475 [0,2,0,0,0,0|0,0,0]=2 6001 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000188475 [0,2,0,0,0,0|0,0,0]=2 6002 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000188475 [0,2,0,0,0,0|0,0,0]=2 6003 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000188475 [0,2,0,0,0,0|0,0,0]=2 6004 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000188475 [0,2,0,0,0,0|0,0,0]=2 6005 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000188475 [0,2,0,0,0,0|0,0,0]=2 6006 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000188475 [0,2,0,0,0,0|0,0,0]=2 6007 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000188475 [0,2,0,0,0,0|0,0,0]=2 6008 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000188475 [0,2,0,0,0,0|0,0,0]=2 6009 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000188475 [0,2,0,0,0,0|0,0,0]=2 6010 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000188475 [0,2,0,0,0,0|0,0,0]=2 6011 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000188475 [0,2,0,0,0,0|0,0,0]=2 6012 B16R1.4231 CCOC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000188475 [0,2,0,0,0,0|0,0,0]=2 6013 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)Br)C 2230a_100000707694_100000188475 [0,2,0,0,0,0|2,0,0]=4 6014 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)Br)C 269982a_100000707694_100000188475 [0,2,0,0,0,0|2,0,0]=4 6015 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)Br)C 34a_100000707694_100000188475 [0,2,0,0,0,0|2,0,0]=4 6016 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)C)Br 2230a_100102888905_100000188475 [0,2,0,0,0,0|2,0,0]=4 6017 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)C)Br 269982a_100102888905_100000188475 [0,2,0,0,0,0|2,0,0]=4 6018 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)C)Br 34a_100102888905_100000188475 [0,2,0,0,0,0|2,0,0]=4 6019 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)C)Cl 2230a_114849113799_100000188475 [0,2,0,0,0,0|2,0,0]=4 6020 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)C)Cl 269982a_114849113799_100000188475 [0,2,0,0,0,0|2,0,0]=4 6021 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)C)Cl 34a_114849113799_100000188475 [0,2,0,0,0,0|2,0,0]=4 6022 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)C)F 2230a_100011756966_100000188475 [0,2,0,0,0,0|2,0,0]=4 6023 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)C)F 269982a_100011756966_100000188475 [0,2,0,0,0,0|2,0,0]=4 6024 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)C)F 34a_100011756966_100000188475 [0,2,0,0,0,0|2,0,0]=4 6025 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)C)F 7a_100011756966_100000188475 [0,2,0,0,0,0|2,0,0]=4 6026 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)Cl)C 2230a_100000220120_100000188475 [0,2,0,0,0,0|2,0,0]=4 6027 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)Cl)C 269982a_100000220120_100000188475 [0,2,0,0,0,0|2,0,0]=4 6028 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)Cl)C 34a_100000220120_100000188475 [0,2,0,0,0,0|2,0,0]=4 6029 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)Cl)Cl 2230a_100000219944_100000188475 [0,2,0,0,0,0|2,0,0]=4 6030 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)Cl)Cl 269982a_100000219944_100000188475 [0,2,0,0,0,0|2,0,0]=4 6031 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)Cl)Cl 34a_100000219944_100000188475 [0,2,0,0,0,0|2,0,0]=4 6032 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)Cl)F 2230a_100000697440_100000188475 [0,2,0,0,0,0|2,0,0]=4 6033 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)Cl)F 2230a_200000220685_200000210301 [0,2,0,0,0,0|2,0,0]=4 6034 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)Cl)F 269982a_100000697440_100000188475 [0,2,0,0,0,0|2,0,0]=4 6035 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)Cl)F 269982a_200000220685_200000210301 [0,2,0,0,0,0|2,0,0]=4 6036 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)Cl)F 34a_100000697440_100000188475 [0,2,0,0,0,0|2,0,0]=4 6037 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)Cl)F 7a_100000697440_100000188475 [0,2,0,0,0,0|2,0,0]=4 6038 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)F)Br 2230a_100012285320_100000188475 [0,2,0,0,0,0|2,0,0]=4 6039 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)F)Br 269982a_100012285320_100000188475 [0,2,0,0,0,0|2,0,0]=4 6040 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)F)Br 34a_100012285320_100000188475 [0,2,0,0,0,0|2,0,0]=4 6041 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)F)Br 7a_100012285320_100000188475 [0,2,0,0,0,0|2,0,0]=4 6042 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)F)C 2230a_100160572069_100000188475 [0,2,0,0,0,0|2,0,0]=4 6043 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)F)C 269982a_100160572069_100000188475 [0,2,0,0,0,0|2,0,0]=4 6044 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)F)C 34a_100160572069_100000188475 [0,2,0,0,0,0|2,0,0]=4 6045 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)F)C 7a_100160572069_100000188475 [0,2,0,0,0,0|2,0,0]=4 6046 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)F)F 2230a_100000221014_100000188475 [0,2,0,0,0,0|2,0,0]=4 6047 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)F)F 269982a_100000221014_100000188475 [0,2,0,0,0,0|2,0,0]=4 6048 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)F)F 34a_100000221014_100000188475 [0,2,0,0,0,0|2,0,0]=4 6049 B16R1.4231 CCOC(=O)CN(C)c1ccc(c(c1)F)F 7a_100000221014_100000188475 [0,2,0,0,0,0|2,0,0]=4 6050 B16R1.4231 CCOC(=O)CN([13CH3])c1ccc(c(c1)Cl)F 2230a_200000220685_200025704644 [0,2,0,0,0,0|2,0,0]=4 6051 B16R1.4231 CCOC(=O)CN([13CH3])c1ccc(c(c1)Cl)F 269982a_200000220685_200025704644 [0,2,0,0,0,0|2,0,0]=4 6052 B16R1.4231 COCC(=O)CC(=O)c1ccc(c(c1)Br)C 1458a_100000210968_100012346676 [0,2,0,0,0,0|2,0,0]=4 6053 B16R1.4231 COCC(=O)CC(=O)c1ccc(c(c1)Br)F 1458a_100000210968_100011217175 [0,2,0,0,0,0|2,0,0]=4 6054 B16R1.4231 COCC(=O)CC(=O)c1ccc(c(c1)C)C 1458a_100000210968_100000183365 [0,2,0,0,0,0|2,0,0]=4 6055 B16R1.4231 COCC(=O)CC(=O)c1ccc(c(c1)C)Cl 1458a_100000210968_200011216723 [0,2,0,0,0,0|2,0,0]=4 6056 B16R1.4231 COCC(=O)CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000210968_200012349649 [0,2,0,0,0,0|2,0,0]=4 6057 B16R1.4231 COCC(=O)CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210968_100000211430 [0,2,0,0,0,0|2,0,0]=4 6058 B16R1.4231 COCC(=O)CC(=O)c1ccc(c(c1)Cl)F 1458a_100000210968_100000757878 [0,2,0,0,0,0|2,0,0]=4 6059 B16R1.4231 COCC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000210968_200010170092 [0,2,0,0,0,0|2,0,0]=4 6060 B16R1.4231 COCC(=O)CC(=O)c1ccc(c(c1)F)Br 1458a_100000210968_100012361357 [0,2,0,0,0,0|2,0,0]=4 6061 B16R1.4231 COCC(=O)CC(=O)c1ccc(c(c1)F)C 1458a_100000210968_100011219196 [0,2,0,0,0,0|2,0,0]=4 6062 B16R1.4231 COCC(=O)CC(=O)c1ccc(c(c1)F)Cl 1458a_100000210968_100012351892 [0,2,0,0,0,0|2,0,0]=4 6063 B16R1.4231 COCC(=O)CC(=O)c1ccc(c(c1)F)F 1458a_100000210968_100000183380 [0,2,0,0,0,0|2,0,0]=4 6064 B16R1.4231 COCC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000210968_100000183813 [0,2,0,0,0,0|2,0,0]=4 6065 B16R1.4231 CSCC(=O)CC(=O)c1ccc(c(c1)Br)C 1458a_100000184570_100012346676 [0,2,0,0,0,0|2,0,0]=4 6066 B16R1.4231 CSCC(=O)CC(=O)c1ccc(c(c1)Br)F 1458a_100000184570_100011217175 [0,2,0,0,0,0|2,0,0]=4 6067 B16R1.4231 CSCC(=O)CC(=O)c1ccc(c(c1)C)C 1458a_100000184570_100000183365 [0,2,0,0,0,0|2,0,0]=4 6068 B16R1.4231 CSCC(=O)CC(=O)c1ccc(c(c1)C)Cl 1458a_100000184570_200011216723 [0,2,0,0,0,0|2,0,0]=4 6069 B16R1.4231 CSCC(=O)CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000184570_200012349649 [0,2,0,0,0,0|2,0,0]=4 6070 B16R1.4231 CSCC(=O)CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000184570_100000211430 [0,2,0,0,0,0|2,0,0]=4 6071 B16R1.4231 CSCC(=O)CC(=O)c1ccc(c(c1)Cl)F 1458a_100000184570_100000757878 [0,2,0,0,0,0|2,0,0]=4 6072 B16R1.4231 CSCC(=O)CC(=O)c1ccc(c(c1)Cl)O 1458a_100000184570_200010170092 [0,2,0,0,0,0|2,0,0]=4 6073 B16R1.4231 CSCC(=O)CC(=O)c1ccc(c(c1)F)Br 1458a_100000184570_100012361357 [0,2,0,0,0,0|2,0,0]=4 6074 B16R1.4231 CSCC(=O)CC(=O)c1ccc(c(c1)F)C 1458a_100000184570_100011219196 [0,2,0,0,0,0|2,0,0]=4 6075 B16R1.4231 CSCC(=O)CC(=O)c1ccc(c(c1)F)Cl 1458a_100000184570_100012351892 [0,2,0,0,0,0|2,0,0]=4 6076 B16R1.4231 CSCC(=O)CC(=O)c1ccc(c(c1)F)F 1458a_100000184570_100000183380 [0,2,0,0,0,0|2,0,0]=4 6077 B16R1.4231 CSCC(=O)CC(=O)c1ccc(c(c1)O)O 1458a_100000184570_100000183813 [0,2,0,0,0,0|2,0,0]=4 6078 B16R1.4231 Cc1cc(ccc1Br)C(=O)CC(=O)NCO 1458a_100000692631_100000185155 [0,2,0,0,0,0|2,0,0]=4 6079 B16R1.4231 Cc1cc(ccc1Cl)C(=O)CC(=O)CCO 1458a_100011216618_200011216723 [0,2,0,0,0,0|2,0,0]=4 6080 B16R1.4231 Cc1cc(ccc1Cl)C(=O)CC(=O)NCO 1458a_100000686306_100000185155 [0,2,0,0,0,0|2,0,0]=4 6081 B16R1.4231 Cc1cc(ccc1F)C(=O)CC(=O)NCO 1458a_100000751819_100000185155 [0,2,0,0,0,0|2,0,0]=4 6082 B16R1.4231 Cc1cc(ccc1I)C(=O)CC(=O)NCO 1458a_100000751300_100000185155 [0,2,0,0,0,0|2,0,0]=4 6083 B16R1.4231 Cc1cc(ccc1O)C(=O)CC(=O)NCO 1458a_100000685612_100000185155 [0,2,0,0,0,0|2,0,0]=4 6084 B16R1.4231 Cc1ccc(cc1Br)C(=O)CC(=O)CCO 1458a_100011216618_100012346676 [0,2,0,0,0,0|2,0,0]=4 6085 B16R1.4231 Cc1ccc(cc1Br)C(=O)CC(=O)NCO 1458a_100000186397_100000185155 [0,2,0,0,0,0|2,0,0]=4 6086 B16R1.4231 Cc1ccc(cc1C)C(=O)CC(=O)CCO 1458a_100011216618_100000183365 [0,2,0,0,0,0|2,0,0]=4 6087 B16R1.4231 Cc1ccc(cc1C)C(=O)CC(=O)NCO 1458a_100000210898_100000185155 [0,2,0,0,0,0|2,0,0]=4 6088 B16R1.4231 Cc1ccc(cc1Cl)C(=O)CC(=O)NCO 1458a_100000751740_100000185155 [0,2,0,0,0,0|2,0,0]=4 6089 B16R1.4231 Cc1ccc(cc1F)C(=O)CC(=O)CCO 1458a_100011216618_100011219196 [0,2,0,0,0,0|2,0,0]=4 6090 B16R1.4231 Cc1ccc(cc1F)C(=O)CC(=O)NCO 1458a_100000212313_100000185155 [0,2,0,0,0,0|2,0,0]=4 6091 B16R1.4231 Cc1ccc(cc1I)C(=O)CC(=O)NCO 1458a_100000751299_100000185155 [0,2,0,0,0,0|2,0,0]=4 6092 B16R1.4231 Cc1ccc(cc1O)C(=O)CC(=O)NCO 1458a_100000233767_100000185155 [0,2,0,0,0,0|2,0,0]=4 6093 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)Br)Br)NCO 1458a_100012339404_100000185155 [0,2,0,0,0,0|2,0,0]=4 6094 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)Br)Cl)NCO 1458a_100000691181_100000185155 [0,2,0,0,0,0|2,0,0]=4 6095 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)Br)F)NCO 1458a_100000760357_100000185155 [0,2,0,0,0,0|2,0,0]=4 6096 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)Br)I)NCO 1458a_100000739115_100000185155 [0,2,0,0,0,0|2,0,0]=4 6097 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)Br)O)NCO 1458a_100000189672_100000185155 [0,2,0,0,0,0|2,0,0]=4 6098 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)Cl)Br)NCO 1458a_100000687082_100000185155 [0,2,0,0,0,0|2,0,0]=4 6099 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)Cl)Cl)NCO 1458a_100000210401_100000185155 [0,2,0,0,0,0|2,0,0]=4 6100 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)Cl)F)NCO 1458a_100000686462_100000185155 [0,2,0,0,0,0|2,0,0]=4 6101 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)Cl)I)NCO 1458a_100000684831_100000185155 [0,2,0,0,0,0|2,0,0]=4 6102 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)Cl)O)NCO 1458a_100000212196_100000185155 [0,2,0,0,0,0|2,0,0]=4 6103 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)F)Br)NCO 1458a_100000743946_100000185155 [0,2,0,0,0,0|2,0,0]=4 6104 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)F)Cl)NCO 1458a_100000743183_100000185155 [0,2,0,0,0,0|2,0,0]=4 6105 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)F)F)NCO 1458a_100000209822_100000185155 [0,2,0,0,0,0|2,0,0]=4 6106 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)F)I)NCO 1458a_100000062624_100000185155 [0,2,0,0,0,0|2,0,0]=4 6107 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)F)O)NCO 1458a_100000185466_100000185155 [0,2,0,0,0,0|2,0,0]=4 6108 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)I)Br)NCO 1458a_100012343876_100000185155 [0,2,0,0,0,0|2,0,0]=4 6109 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)I)Cl)NCO 1458a_100000739381_100000185155 [0,2,0,0,0,0|2,0,0]=4 6110 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)I)F)NCO 1458a_100000688015_100000185155 [0,2,0,0,0,0|2,0,0]=4 6111 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)I)I)NCO 1458a_100000725830_100000185155 [0,2,0,0,0,0|2,0,0]=4 6112 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)I)O)NCO 1458a_100000037485_100000185155 [0,2,0,0,0,0|2,0,0]=4 6113 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)O)Br)NCO 1458a_100000689001_100000185155 [0,2,0,0,0,0|2,0,0]=4 6114 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)O)Cl)NCO 1458a_100011933997_100000185155 [0,2,0,0,0,0|2,0,0]=4 6115 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)O)F)NCO 1458a_100000035894_100000185155 [0,2,0,0,0,0|2,0,0]=4 6116 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)O)I)NCO 1458a_100000239334_100000185155 [0,2,0,0,0,0|2,0,0]=4 6117 B16R1.4231 O=C(CC(=O)c1ccc(c(c1)O)O)NCO 1458a_100000212155_100000185155 [0,2,0,0,0,0|2,0,0]=4 6118 B16R1.4231 O=C(CCO)CC(=O)c1ccc(c(c1)Br)F 1458a_100011216618_100011217175 [0,2,0,0,0,0|2,0,0]=4 6119 B16R1.4231 O=C(CCO)CC(=O)c1ccc(c(c1)Cl)Br 1458a_100011216618_200012349649 [0,2,0,0,0,0|2,0,0]=4 6120 B16R1.4231 O=C(CCO)CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100011216618_100000211430 [0,2,0,0,0,0|2,0,0]=4 6121 B16R1.4231 O=C(CCO)CC(=O)c1ccc(c(c1)Cl)F 1458a_100011216618_100000757878 [0,2,0,0,0,0|2,0,0]=4 6122 B16R1.4231 O=C(CCO)CC(=O)c1ccc(c(c1)Cl)O 1458a_100011216618_200010170092 [0,2,0,0,0,0|2,0,0]=4 6123 B16R1.4231 O=C(CCO)CC(=O)c1ccc(c(c1)F)Br 1458a_100011216618_100012361357 [0,2,0,0,0,0|2,0,0]=4 6124 B16R1.4231 O=C(CCO)CC(=O)c1ccc(c(c1)F)Cl 1458a_100011216618_100012351892 [0,2,0,0,0,0|2,0,0]=4 6125 B16R1.4231 O=C(CCO)CC(=O)c1ccc(c(c1)F)F 1458a_100011216618_100000183380 [0,2,0,0,0,0|2,0,0]=4 6126 B16R1.4231 O=C(CCO)CC(=O)c1ccc(c(c1)O)O 1458a_100011216618_100000183813 [0,2,0,0,0,0|2,0,0]=4 6127 B16R1.13669 CCO[Si](C)(C)CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000065227 [0,2,0,0,0,0|1,1,0]=4 6128 B16R1.13669 CCO[Si](C)(C)CC(=O)c1ccc(cc1)C 1458a_100000188618_200000065227 [0,2,0,0,0,0|1,1,0]=4 6129 B16R1.13669 CCO[Si](C)(C)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000065227 [0,2,0,0,0,0|1,1,0]=4 6130 B16R1.13669 CCO[Si](C)(C)CC(=O)c1ccc(cc1)F 1458a_100000187176_200000065227 [0,2,0,0,0,0|1,1,0]=4 6131 B16R1.13669 CCO[Si](C)(C)CC(=O)c1ccc(cc1)I 1458a_100000187904_200000065227 [0,2,0,0,0,0|1,1,0]=4 6132 B16R1.13669 CCO[Si](C)(C)CC(=O)c1ccc(cc1)O 1458a_100000212099_200000065227 [0,2,0,0,0,0|1,1,0]=4 6133 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000036128 [0,2,0,0,0,0|0,0,2]=4 6134 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000036128 [0,2,0,0,0,0|0,0,2]=4 6135 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000036128 [0,2,0,0,0,0|0,0,2]=4 6136 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000036128 [0,2,0,0,0,0|0,0,2]=4 6137 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000036128 [0,2,0,0,0,0|0,0,2]=4 6138 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000036128 [0,2,0,0,0,0|0,0,2]=4 6139 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000036128 [0,2,0,0,0,0|0,0,2]=4 6140 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1C)C 1458a_100000211164_100000036128 [0,2,0,0,0,0|0,0,2]=4 6141 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000036128 [0,2,0,0,0,0|0,0,2]=4 6142 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1C)F 1458a_100000686989_100000036128 [0,2,0,0,0,0|0,0,2]=4 6143 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1C)I 1458a_100010189873_100000036128 [0,2,0,0,0,0|0,0,2]=4 6144 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1C)O 1458a_100000692822_100000036128 [0,2,0,0,0,0|0,0,2]=4 6145 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000036128 [0,2,0,0,0,0|0,0,2]=4 6146 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000036128 [0,2,0,0,0,0|0,0,2]=4 6147 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000036128 [0,2,0,0,0,0|0,0,2]=4 6148 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000036128 [0,2,0,0,0,0|0,0,2]=4 6149 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000036128 [0,2,0,0,0,0|0,0,2]=4 6150 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000036128 [0,2,0,0,0,0|0,0,2]=4 6151 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000036128 [0,2,0,0,0,0|0,0,2]=4 6152 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1F)C 1458a_100000766033_100000036128 [0,2,0,0,0,0|0,0,2]=4 6153 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000036128 [0,2,0,0,0,0|0,0,2]=4 6154 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1F)F 1458a_100000211022_100000036128 [0,2,0,0,0,0|0,0,2]=4 6155 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1F)I 1458a_100000037189_100000036128 [0,2,0,0,0,0|0,0,2]=4 6156 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1F)O 1458a_100000689029_100000036128 [0,2,0,0,0,0|0,0,2]=4 6157 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000036128 [0,2,0,0,0,0|0,0,2]=4 6158 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1I)C 1458a_100009999607_100000036128 [0,2,0,0,0,0|0,0,2]=4 6159 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000036128 [0,2,0,0,0,0|0,0,2]=4 6160 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1I)F 1458a_100000739341_100000036128 [0,2,0,0,0,0|0,0,2]=4 6161 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000036128 [0,2,0,0,0,0|0,0,2]=4 6162 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1O)C 1458a_100000212137_100000036128 [0,2,0,0,0,0|0,0,2]=4 6163 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000036128 [0,2,0,0,0,0|0,0,2]=4 6164 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1O)F 1458a_100000746061_100000036128 [0,2,0,0,0,0|0,0,2]=4 6165 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1O)I 1458a_100000091984_100000036128 [0,2,0,0,0,0|0,0,2]=4 6166 B16R1.24755 C=COC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000212172_100000036128 [0,2,0,0,0,0|0,0,2]=4 6167 B16R1.24755 CC#CC(=O)CC(=O)c1ccc(cc1Br)F 1458a_100000763181_100012361341 [0,2,0,0,0,0|1,0,1]=4 6168 B16R1.24755 CC#CC(=O)CC(=O)c1ccc(cc1C)C 1458a_100000763181_100000229959 [0,2,0,0,0,0|1,0,1]=4 6169 B16R1.24755 CC#CC(=O)CC(=O)c1ccc(cc1Cl)Cl 1458a_100000763181_100000185731 [0,2,0,0,0,0|1,0,1]=4 6170 B16R1.24755 CC#CC(=O)CC(=O)c1ccc(cc1Cl)F 1458a_100000763181_100012056422 [0,2,0,0,0,0|1,0,1]=4 6171 B16R1.24755 CC#CC(=O)CC(=O)c1ccc(cc1F)Br 1458a_100000763181_200012361339 [0,2,0,0,0,0|1,0,1]=4 6172 B16R1.24755 CC#CC(=O)CC(=O)c1ccc(cc1F)Cl 1458a_100000763181_100012351891 [0,2,0,0,0,0|1,0,1]=4 6173 B16R1.24755 CC#CC(=O)CC(=O)c1ccc(cc1F)F 1458a_100000763181_100000229962 [0,2,0,0,0,0|1,0,1]=4 6174 B16R1.24755 CC#CC(=O)CC(=O)c1ccc(cc1O)F 1458a_100000763181_100009817053 [0,2,0,0,0,0|1,0,1]=4 6175 B16R1.24755 CC#CC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000763181_100009814262 [0,2,0,0,0,0|1,0,1]=4 6176 B16R1.24755 CC=CC(=O)CC(=O)c1ccc(cc1Br)F 1458a_100000210699_100012361341 [0,2,0,0,0,0|1,0,1]=4 6177 B16R1.24755 CC=CC(=O)CC(=O)c1ccc(cc1C)C 1458a_100000210699_100000229959 [0,2,0,0,0,0|1,0,1]=4 6178 B16R1.24755 CC=CC(=O)CC(=O)c1ccc(cc1Cl)Cl 1458a_100000210699_100000185731 [0,2,0,0,0,0|1,0,1]=4 6179 B16R1.24755 CC=CC(=O)CC(=O)c1ccc(cc1Cl)F 1458a_100000210699_100012056422 [0,2,0,0,0,0|1,0,1]=4 6180 B16R1.24755 CC=CC(=O)CC(=O)c1ccc(cc1F)Br 1458a_100000210699_200012361339 [0,2,0,0,0,0|1,0,1]=4 6181 B16R1.24755 CC=CC(=O)CC(=O)c1ccc(cc1F)Cl 1458a_100000210699_100012351891 [0,2,0,0,0,0|1,0,1]=4 6182 B16R1.24755 CC=CC(=O)CC(=O)c1ccc(cc1F)F 1458a_100000210699_100000229962 [0,2,0,0,0,0|1,0,1]=4 6183 B16R1.24755 CC=CC(=O)CC(=O)c1ccc(cc1O)F 1458a_100000210699_100009817053 [0,2,0,0,0,0|1,0,1]=4 6184 B16R1.24755 CC=CC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000210699_100009814262 [0,2,0,0,0,0|1,0,1]=4 6185 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000747444 [0,2,0,0,0,0|1,0,0]=3 6186 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000747444 [0,2,0,0,0,0|1,0,0]=3 6187 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000747444 [0,2,0,0,0,0|1,0,0]=3 6188 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1Br)F 1458a_100000211992_100012361341 [0,2,0,0,0,0|1,0,0]=3 6189 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000747444 [0,2,0,0,0,0|1,0,0]=3 6190 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000747444 [0,2,0,0,0,0|1,0,0]=3 6191 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000747444 [0,2,0,0,0,0|1,0,0]=3 6192 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000747444 [0,2,0,0,0,0|1,0,0]=3 6193 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1C)C 1458a_100000211164_100000747444 [0,2,0,0,0,0|1,0,0]=3 6194 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1C)C 1458a_100000211992_100000229959 [0,2,0,0,0,0|1,0,0]=3 6195 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000747444 [0,2,0,0,0,0|1,0,0]=3 6196 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1C)F 1458a_100000686989_100000747444 [0,2,0,0,0,0|1,0,0]=3 6197 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1C)I 1458a_100010189873_100000747444 [0,2,0,0,0,0|1,0,0]=3 6198 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1C)O 1458a_100000692822_100000747444 [0,2,0,0,0,0|1,0,0]=3 6199 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000747444 [0,2,0,0,0,0|1,0,0]=3 6200 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000747444 [0,2,0,0,0,0|1,0,0]=3 6201 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000747444 [0,2,0,0,0,0|1,0,0]=3 6202 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1Cl)Cl 1458a_100000211992_100000185731 [0,2,0,0,0,0|1,0,0]=3 6203 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000747444 [0,2,0,0,0,0|1,0,0]=3 6204 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1Cl)F 1458a_100000211992_100012056422 [0,2,0,0,0,0|1,0,0]=3 6205 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000747444 [0,2,0,0,0,0|1,0,0]=3 6206 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000747444 [0,2,0,0,0,0|1,0,0]=3 6207 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1F)Br 1458a_100000211992_200012361339 [0,2,0,0,0,0|1,0,0]=3 6208 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000747444 [0,2,0,0,0,0|1,0,0]=3 6209 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1F)C 1458a_100000766033_100000747444 [0,2,0,0,0,0|1,0,0]=3 6210 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1F)Cl 1458a_100000211992_100012351891 [0,2,0,0,0,0|1,0,0]=3 6211 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000747444 [0,2,0,0,0,0|1,0,0]=3 6212 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1F)F 1458a_100000211022_100000747444 [0,2,0,0,0,0|1,0,0]=3 6213 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1F)F 1458a_100000211992_100000229962 [0,2,0,0,0,0|1,0,0]=3 6214 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1F)I 1458a_100000037189_100000747444 [0,2,0,0,0,0|1,0,0]=3 6215 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1F)O 1458a_100000689029_100000747444 [0,2,0,0,0,0|1,0,0]=3 6216 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000747444 [0,2,0,0,0,0|1,0,0]=3 6217 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1I)C 1458a_100009999607_100000747444 [0,2,0,0,0,0|1,0,0]=3 6218 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000747444 [0,2,0,0,0,0|1,0,0]=3 6219 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1I)F 1458a_100000739341_100000747444 [0,2,0,0,0,0|1,0,0]=3 6220 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000747444 [0,2,0,0,0,0|1,0,0]=3 6221 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1O)C 1458a_100000212137_100000747444 [0,2,0,0,0,0|1,0,0]=3 6222 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000747444 [0,2,0,0,0,0|1,0,0]=3 6223 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1O)F 1458a_100000211992_100009817053 [0,2,0,0,0,0|1,0,0]=3 6224 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1O)F 1458a_100000746061_100000747444 [0,2,0,0,0,0|1,0,0]=3 6225 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1O)I 1458a_100000091984_100000747444 [0,2,0,0,0,0|1,0,0]=3 6226 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000211992_100009814262 [0,2,0,0,0,0|1,0,0]=3 6227 B16R1.24755 CCCC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000212172_100000747444 [0,2,0,0,0,0|1,0,0]=3 6228 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000183381 [0,2,0,0,0,0|1,0,0]=3 6229 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000183381 [0,2,0,0,0,0|1,0,0]=3 6230 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000183381 [0,2,0,0,0,0|1,0,0]=3 6231 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000183381 [0,2,0,0,0,0|1,0,0]=3 6232 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000183381 [0,2,0,0,0,0|1,0,0]=3 6233 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000183381 [0,2,0,0,0,0|1,0,0]=3 6234 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000183381 [0,2,0,0,0,0|1,0,0]=3 6235 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1C)C 1458a_100000211164_100000183381 [0,2,0,0,0,0|1,0,0]=3 6236 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000183381 [0,2,0,0,0,0|1,0,0]=3 6237 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1C)F 1458a_100000686989_100000183381 [0,2,0,0,0,0|1,0,0]=3 6238 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1C)I 1458a_100010189873_100000183381 [0,2,0,0,0,0|1,0,0]=3 6239 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1C)O 1458a_100000692822_100000183381 [0,2,0,0,0,0|1,0,0]=3 6240 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000183381 [0,2,0,0,0,0|1,0,0]=3 6241 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000183381 [0,2,0,0,0,0|1,0,0]=3 6242 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000183381 [0,2,0,0,0,0|1,0,0]=3 6243 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000183381 [0,2,0,0,0,0|1,0,0]=3 6244 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000183381 [0,2,0,0,0,0|1,0,0]=3 6245 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000183381 [0,2,0,0,0,0|1,0,0]=3 6246 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000183381 [0,2,0,0,0,0|1,0,0]=3 6247 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1F)C 1458a_100000766033_100000183381 [0,2,0,0,0,0|1,0,0]=3 6248 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000183381 [0,2,0,0,0,0|1,0,0]=3 6249 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1F)F 1458a_100000211022_100000183381 [0,2,0,0,0,0|1,0,0]=3 6250 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1F)I 1458a_100000037189_100000183381 [0,2,0,0,0,0|1,0,0]=3 6251 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1F)O 1458a_100000689029_100000183381 [0,2,0,0,0,0|1,0,0]=3 6252 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000183381 [0,2,0,0,0,0|1,0,0]=3 6253 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1I)C 1458a_100009999607_100000183381 [0,2,0,0,0,0|1,0,0]=3 6254 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000183381 [0,2,0,0,0,0|1,0,0]=3 6255 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1I)F 1458a_100000739341_100000183381 [0,2,0,0,0,0|1,0,0]=3 6256 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000183381 [0,2,0,0,0,0|1,0,0]=3 6257 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1O)C 1458a_100000212137_100000183381 [0,2,0,0,0,0|1,0,0]=3 6258 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000183381 [0,2,0,0,0,0|1,0,0]=3 6259 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1O)F 1458a_100000746061_100000183381 [0,2,0,0,0,0|1,0,0]=3 6260 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1O)I 1458a_100000091984_100000183381 [0,2,0,0,0,0|1,0,0]=3 6261 B16R1.24755 CCNC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000212172_100000183381 [0,2,0,0,0,0|1,0,0]=3 6262 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1Br)Br 271570a_100050291487_100011484698 [0,2,0,0,0,0|1,0,1]=4 6263 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1Br)C 271570a_100050291487_100009813563 [0,2,0,0,0,0|1,0,1]=4 6264 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1Br)Cl 271570a_100050291487_100011219703 [0,2,0,0,0,0|1,0,1]=4 6265 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1Br)F 271570a_100050291487_100011217111 [0,2,0,0,0,0|1,0,1]=4 6266 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1Br)N 271570a_100050291487_100000750458 [0,2,0,0,0,0|1,0,1]=4 6267 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1Br)O 271570a_100050291487_100000701344 [0,2,0,0,0,0|1,0,1]=4 6268 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1C)Br 271570a_100050291487_100000701812 [0,2,0,0,0,0|1,0,1]=4 6269 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1C)C 271570a_100050291487_100011217332 [0,2,0,0,0,0|1,0,1]=4 6270 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1C)Cl 271570a_100050291487_100011219607 [0,2,0,0,0,0|1,0,1]=4 6271 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1C)F 271570a_100050291487_100011205405 [0,2,0,0,0,0|1,0,1]=4 6272 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1C)N 271570a_100050291487_100000210723 [0,2,0,0,0,0|1,0,1]=4 6273 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1C)O 271570a_100050291487_100000729255 [0,2,0,0,0,0|1,0,1]=4 6274 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1Cl)Br 271570a_100050291487_100011216062 [0,2,0,0,0,0|1,0,1]=4 6275 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1Cl)C 271570a_100050291487_100011263221 [0,2,0,0,0,0|1,0,1]=4 6276 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1Cl)Cl 271570a_100050291487_100000699841 [0,2,0,0,0,0|1,0,1]=4 6277 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1Cl)F 271570a_100050291487_100000733362 [0,2,0,0,0,0|1,0,1]=4 6278 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1Cl)N 271570a_100050291487_100000761885 [0,2,0,0,0,0|1,0,1]=4 6279 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1Cl)O 271570a_100050291487_100000047559 [0,2,0,0,0,0|1,0,1]=4 6280 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1F)Br 271570a_100050291487_100009814013 [0,2,0,0,0,0|1,0,1]=4 6281 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1F)C 271570a_100050291487_100011216119 [0,2,0,0,0,0|1,0,1]=4 6282 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1F)Cl 271570a_100050291487_100011216042 [0,2,0,0,0,0|1,0,1]=4 6283 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1F)F 271570a_100050291487_100000750030 [0,2,0,0,0,0|1,0,1]=4 6284 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1F)N 271570a_100050291487_100011356925 [0,2,0,0,0,0|1,0,1]=4 6285 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1F)O 271570a_100050291487_100000755031 [0,2,0,0,0,0|1,0,1]=4 6286 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1N)Br 271570a_100050291487_100000743836 [0,2,0,0,0,0|1,0,1]=4 6287 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1N)C 271570a_100050291487_100011216686 [0,2,0,0,0,0|1,0,1]=4 6288 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1N)Cl 271570a_100050291487_100000761886 [0,2,0,0,0,0|1,0,1]=4 6289 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1N)F 271570a_100050291487_100011218093 [0,2,0,0,0,0|1,0,1]=4 6290 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1N)N 271570a_100050291487_200012175722 [0,2,0,0,0,0|1,0,1]=4 6291 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1N)O 271570a_100050291487_100011999798 [0,2,0,0,0,0|1,0,1]=4 6292 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1O)Br 271570a_100050291487_100012344904 [0,2,0,0,0,0|1,0,1]=4 6293 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1O)C 271570a_100050291487_100012002257 [0,2,0,0,0,0|1,0,1]=4 6294 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1O)Cl 271570a_100050291487_100000050036 [0,2,0,0,0,0|1,0,1]=4 6295 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1O)F 271570a_100050291487_100000690578 [0,2,0,0,0,0|1,0,1]=4 6296 B16R1.24755 CCOC(=O)/C=C(\C)/c1ccc(cc1O)O 271570a_100050291487_100009813921 [0,2,0,0,0,0|1,0,1]=4 6297 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000188475 [0,2,0,0,0,0|0,0,0]=2 6298 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000188475 [0,2,0,0,0,0|0,0,0]=2 6299 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000188475 [0,2,0,0,0,0|0,0,0]=2 6300 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000188475 [0,2,0,0,0,0|0,0,0]=2 6301 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000188475 [0,2,0,0,0,0|0,0,0]=2 6302 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000188475 [0,2,0,0,0,0|0,0,0]=2 6303 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000188475 [0,2,0,0,0,0|0,0,0]=2 6304 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1C)C 1458a_100000211164_100000188475 [0,2,0,0,0,0|0,0,0]=2 6305 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000188475 [0,2,0,0,0,0|0,0,0]=2 6306 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1C)F 1458a_100000686989_100000188475 [0,2,0,0,0,0|0,0,0]=2 6307 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1C)I 1458a_100010189873_100000188475 [0,2,0,0,0,0|0,0,0]=2 6308 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1C)O 1458a_100000692822_100000188475 [0,2,0,0,0,0|0,0,0]=2 6309 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000188475 [0,2,0,0,0,0|0,0,0]=2 6310 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000188475 [0,2,0,0,0,0|0,0,0]=2 6311 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000188475 [0,2,0,0,0,0|0,0,0]=2 6312 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000188475 [0,2,0,0,0,0|0,0,0]=2 6313 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000188475 [0,2,0,0,0,0|0,0,0]=2 6314 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000188475 [0,2,0,0,0,0|0,0,0]=2 6315 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000188475 [0,2,0,0,0,0|0,0,0]=2 6316 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1F)C 1458a_100000766033_100000188475 [0,2,0,0,0,0|0,0,0]=2 6317 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000188475 [0,2,0,0,0,0|0,0,0]=2 6318 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1F)F 1458a_100000211022_100000188475 [0,2,0,0,0,0|0,0,0]=2 6319 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1F)I 1458a_100000037189_100000188475 [0,2,0,0,0,0|0,0,0]=2 6320 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1F)O 1458a_100000689029_100000188475 [0,2,0,0,0,0|0,0,0]=2 6321 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1F)O 271570a_203496583355_200012357457 [0,2,0,0,0,0|0,0,0]=2 6322 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000188475 [0,2,0,0,0,0|0,0,0]=2 6323 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1I)C 1458a_100009999607_100000188475 [0,2,0,0,0,0|0,0,0]=2 6324 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000188475 [0,2,0,0,0,0|0,0,0]=2 6325 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1I)F 1458a_100000739341_100000188475 [0,2,0,0,0,0|0,0,0]=2 6326 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000188475 [0,2,0,0,0,0|0,0,0]=2 6327 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1O)C 1458a_100000212137_100000188475 [0,2,0,0,0,0|0,0,0]=2 6328 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000188475 [0,2,0,0,0,0|0,0,0]=2 6329 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1O)F 1458a_100000746061_100000188475 [0,2,0,0,0,0|0,0,0]=2 6330 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1O)I 1458a_100000091984_100000188475 [0,2,0,0,0,0|0,0,0]=2 6331 B16R1.24755 CCOC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000212172_100000188475 [0,2,0,0,0,0|0,0,0]=2 6332 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1Br)Br 269982a_200000221195_100000188475 [0,2,0,0,0,0|2,0,0]=4 6333 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1Br)Br 34a_200000221195_100000188475 [0,2,0,0,0,0|2,0,0]=4 6334 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1Br)C 2230a_100000221369_100000188475 [0,2,0,0,0,0|2,0,0]=4 6335 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1Br)C 269982a_100000221369_100000188475 [0,2,0,0,0,0|2,0,0]=4 6336 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1Br)C 34a_100000221369_100000188475 [0,2,0,0,0,0|2,0,0]=4 6337 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1Br)Cl 269982a_100020633009_100000188475 [0,2,0,0,0,0|2,0,0]=4 6338 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1Br)Cl 34a_100020633009_100000188475 [0,2,0,0,0,0|2,0,0]=4 6339 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1Br)F 269982a_100011246292_100000188475 [0,2,0,0,0,0|2,0,0]=4 6340 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1Br)F 34a_100011246292_100000188475 [0,2,0,0,0,0|2,0,0]=4 6341 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1C)Br 2230a_100000221803_100000188475 [0,2,0,0,0,0|2,0,0]=4 6342 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1C)Br 269982a_100000221803_100000188475 [0,2,0,0,0,0|2,0,0]=4 6343 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1C)Br 34a_100000221803_100000188475 [0,2,0,0,0,0|2,0,0]=4 6344 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1C)Cl 2230a_114849113698_100000188475 [0,2,0,0,0,0|2,0,0]=4 6345 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1C)Cl 269982a_114849113698_100000188475 [0,2,0,0,0,0|2,0,0]=4 6346 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1C)Cl 34a_114849113698_100000188475 [0,2,0,0,0,0|2,0,0]=4 6347 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1C)O 269982a_100161107805_100000188475 [0,2,0,0,0,0|2,0,0]=4 6348 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1C)O 34a_100161107805_100000188475 [0,2,0,0,0,0|2,0,0]=4 6349 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1Cl)Br 269982a_100000221650_100000188475 [0,2,0,0,0,0|2,0,0]=4 6350 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1Cl)Br 34a_100000221650_100000188475 [0,2,0,0,0,0|2,0,0]=4 6351 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_100000188475 [0,2,0,0,0,0|2,0,0]=4 6352 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1Cl)Cl 34a_114849113696_100000188475 [0,2,0,0,0,0|2,0,0]=4 6353 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1F)Br 2230a_100000743884_100000188475 [0,2,0,0,0,0|2,0,0]=4 6354 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1F)Br 269982a_100000743884_100000188475 [0,2,0,0,0,0|2,0,0]=4 6355 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1F)Br 34a_100000743884_100000188475 [0,2,0,0,0,0|2,0,0]=4 6356 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1F)F 2230a_100020633734_100000188475 [0,2,0,0,0,0|2,0,0]=4 6357 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1F)F 269982a_100020633734_100000188475 [0,2,0,0,0,0|2,0,0]=4 6358 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1F)F 34a_100020633734_100000188475 [0,2,0,0,0,0|2,0,0]=4 6359 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1F)I 269982a_114948340911_100000188475 [0,2,0,0,0,0|2,0,0]=4 6360 B16R1.24755 CCOC(=O)CN(C)c1ccc(cc1F)I 34a_114948340911_100000188475 [0,2,0,0,0,0|2,0,0]=4 6361 B16R1.24755 COCC(=O)CC(=O)c1ccc(cc1Br)F 1458a_100000210968_100012361341 [0,2,0,0,0,0|2,0,0]=4 6362 B16R1.24755 COCC(=O)CC(=O)c1ccc(cc1C)C 1458a_100000210968_100000229959 [0,2,0,0,0,0|2,0,0]=4 6363 B16R1.24755 COCC(=O)CC(=O)c1ccc(cc1Cl)Cl 1458a_100000210968_100000185731 [0,2,0,0,0,0|2,0,0]=4 6364 B16R1.24755 COCC(=O)CC(=O)c1ccc(cc1Cl)F 1458a_100000210968_100012056422 [0,2,0,0,0,0|2,0,0]=4 6365 B16R1.24755 COCC(=O)CC(=O)c1ccc(cc1F)Br 1458a_100000210968_200012361339 [0,2,0,0,0,0|2,0,0]=4 6366 B16R1.24755 COCC(=O)CC(=O)c1ccc(cc1F)Cl 1458a_100000210968_100012351891 [0,2,0,0,0,0|2,0,0]=4 6367 B16R1.24755 COCC(=O)CC(=O)c1ccc(cc1F)F 1458a_100000210968_100000229962 [0,2,0,0,0,0|2,0,0]=4 6368 B16R1.24755 COCC(=O)CC(=O)c1ccc(cc1O)F 1458a_100000210968_100009817053 [0,2,0,0,0,0|2,0,0]=4 6369 B16R1.24755 COCC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000210968_100009814262 [0,2,0,0,0,0|2,0,0]=4 6370 B16R1.24755 CSCC(=O)CC(=O)c1ccc(cc1Br)F 1458a_100000184570_100012361341 [0,2,0,0,0,0|2,0,0]=4 6371 B16R1.24755 CSCC(=O)CC(=O)c1ccc(cc1C)C 1458a_100000184570_100000229959 [0,2,0,0,0,0|2,0,0]=4 6372 B16R1.24755 CSCC(=O)CC(=O)c1ccc(cc1Cl)Cl 1458a_100000184570_100000185731 [0,2,0,0,0,0|2,0,0]=4 6373 B16R1.24755 CSCC(=O)CC(=O)c1ccc(cc1Cl)F 1458a_100000184570_100012056422 [0,2,0,0,0,0|2,0,0]=4 6374 B16R1.24755 CSCC(=O)CC(=O)c1ccc(cc1F)Br 1458a_100000184570_200012361339 [0,2,0,0,0,0|2,0,0]=4 6375 B16R1.24755 CSCC(=O)CC(=O)c1ccc(cc1F)Cl 1458a_100000184570_100012351891 [0,2,0,0,0,0|2,0,0]=4 6376 B16R1.24755 CSCC(=O)CC(=O)c1ccc(cc1F)F 1458a_100000184570_100000229962 [0,2,0,0,0,0|2,0,0]=4 6377 B16R1.24755 CSCC(=O)CC(=O)c1ccc(cc1O)F 1458a_100000184570_100009817053 [0,2,0,0,0,0|2,0,0]=4 6378 B16R1.24755 CSCC(=O)CC(=O)c1ccc(cc1O)O 1458a_100000184570_100009814262 [0,2,0,0,0,0|2,0,0]=4 6379 B16R1.24755 Cc1cc(ccc1C(=O)CC(=O)NCO)Br 1458a_100000741311_100000185155 [0,2,0,0,0,0|2,0,0]=4 6380 B16R1.24755 Cc1cc(ccc1C(=O)CC(=O)NCO)Cl 1458a_100000688705_100000185155 [0,2,0,0,0,0|2,0,0]=4 6381 B16R1.24755 Cc1cc(ccc1C(=O)CC(=O)NCO)F 1458a_100000686989_100000185155 [0,2,0,0,0,0|2,0,0]=4 6382 B16R1.24755 Cc1cc(ccc1C(=O)CC(=O)NCO)I 1458a_100010189873_100000185155 [0,2,0,0,0,0|2,0,0]=4 6383 B16R1.24755 Cc1cc(ccc1C(=O)CC(=O)NCO)O 1458a_100000692822_100000185155 [0,2,0,0,0,0|2,0,0]=4 6384 B16R1.24755 Cc1ccc(c(c1)Br)C(=O)CC(=O)NCO 1458a_100000685072_100000185155 [0,2,0,0,0,0|2,0,0]=4 6385 B16R1.24755 Cc1ccc(c(c1)C)C(=O)CC(=O)CCO 1458a_100011216618_100000229959 [0,2,0,0,0,0|2,0,0]=4 6386 B16R1.24755 Cc1ccc(c(c1)C)C(=O)CC(=O)NCO 1458a_100000211164_100000185155 [0,2,0,0,0,0|2,0,0]=4 6387 B16R1.24755 Cc1ccc(c(c1)Cl)C(=O)CC(=O)NCO 1458a_100000766932_100000185155 [0,2,0,0,0,0|2,0,0]=4 6388 B16R1.24755 Cc1ccc(c(c1)F)C(=O)CC(=O)NCO 1458a_100000766033_100000185155 [0,2,0,0,0,0|2,0,0]=4 6389 B16R1.24755 Cc1ccc(c(c1)I)C(=O)CC(=O)NCO 1458a_100009999607_100000185155 [0,2,0,0,0,0|2,0,0]=4 6390 B16R1.24755 Cc1ccc(c(c1)O)C(=O)CC(=O)NCO 1458a_100000212137_100000185155 [0,2,0,0,0,0|2,0,0]=4 6391 B16R1.24755 O=C(CC(=O)c1ccc(cc1Br)Br)NCO 1458a_100000762965_100000185155 [0,2,0,0,0,0|2,0,0]=4 6392 B16R1.24755 O=C(CC(=O)c1ccc(cc1Br)Cl)NCO 1458a_100000766353_100000185155 [0,2,0,0,0,0|2,0,0]=4 6393 B16R1.24755 O=C(CC(=O)c1ccc(cc1Br)F)NCO 1458a_100000212304_100000185155 [0,2,0,0,0,0|2,0,0]=4 6394 B16R1.24755 O=C(CC(=O)c1ccc(cc1Br)I)NCO 1458a_100012360512_100000185155 [0,2,0,0,0,0|2,0,0]=4 6395 B16R1.24755 O=C(CC(=O)c1ccc(cc1Br)O)NCO 1458a_100012344906_100000185155 [0,2,0,0,0,0|2,0,0]=4 6396 B16R1.24755 O=C(CC(=O)c1ccc(cc1Cl)Br)NCO 1458a_100000741628_100000185155 [0,2,0,0,0,0|2,0,0]=4 6397 B16R1.24755 O=C(CC(=O)c1ccc(cc1Cl)Cl)NCO 1458a_100000185840_100000185155 [0,2,0,0,0,0|2,0,0]=4 6398 B16R1.24755 O=C(CC(=O)c1ccc(cc1Cl)F)NCO 1458a_100000211397_100000185155 [0,2,0,0,0,0|2,0,0]=4 6399 B16R1.24755 O=C(CC(=O)c1ccc(cc1Cl)I)NCO 1458a_100000751301_100000185155 [0,2,0,0,0,0|2,0,0]=4 6400 B16R1.24755 O=C(CC(=O)c1ccc(cc1Cl)O)NCO 1458a_100000702456_100000185155 [0,2,0,0,0,0|2,0,0]=4 6401 B16R1.24755 O=C(CC(=O)c1ccc(cc1F)Br)NCO 1458a_100000214689_100000185155 [0,2,0,0,0,0|2,0,0]=4 6402 B16R1.24755 O=C(CC(=O)c1ccc(cc1F)Cl)NCO 1458a_100000212326_100000185155 [0,2,0,0,0,0|2,0,0]=4 6403 B16R1.24755 O=C(CC(=O)c1ccc(cc1F)F)NCO 1458a_100000211022_100000185155 [0,2,0,0,0,0|2,0,0]=4 6404 B16R1.24755 O=C(CC(=O)c1ccc(cc1F)I)NCO 1458a_100000037189_100000185155 [0,2,0,0,0,0|2,0,0]=4 6405 B16R1.24755 O=C(CC(=O)c1ccc(cc1F)O)NCO 1458a_100000689029_100000185155 [0,2,0,0,0,0|2,0,0]=4 6406 B16R1.24755 O=C(CC(=O)c1ccc(cc1I)Br)NCO 1458a_100000751167_100000185155 [0,2,0,0,0,0|2,0,0]=4 6407 B16R1.24755 O=C(CC(=O)c1ccc(cc1I)Cl)NCO 1458a_100000739380_100000185155 [0,2,0,0,0,0|2,0,0]=4 6408 B16R1.24755 O=C(CC(=O)c1ccc(cc1I)F)NCO 1458a_100000739341_100000185155 [0,2,0,0,0,0|2,0,0]=4 6409 B16R1.24755 O=C(CC(=O)c1ccc(cc1O)Br)NCO 1458a_100000744433_100000185155 [0,2,0,0,0,0|2,0,0]=4 6410 B16R1.24755 O=C(CC(=O)c1ccc(cc1O)Cl)NCO 1458a_100000188622_100000185155 [0,2,0,0,0,0|2,0,0]=4 6411 B16R1.24755 O=C(CC(=O)c1ccc(cc1O)F)NCO 1458a_100000746061_100000185155 [0,2,0,0,0,0|2,0,0]=4 6412 B16R1.24755 O=C(CC(=O)c1ccc(cc1O)I)NCO 1458a_100000091984_100000185155 [0,2,0,0,0,0|2,0,0]=4 6413 B16R1.24755 O=C(CC(=O)c1ccc(cc1O)O)NCO 1458a_100000212172_100000185155 [0,2,0,0,0,0|2,0,0]=4 6414 B16R1.24755 O=C(CCO)CC(=O)c1ccc(cc1Br)F 1458a_100011216618_100012361341 [0,2,0,0,0,0|2,0,0]=4 6415 B16R1.24755 O=C(CCO)CC(=O)c1ccc(cc1Cl)Cl 1458a_100011216618_100000185731 [0,2,0,0,0,0|2,0,0]=4 6416 B16R1.24755 O=C(CCO)CC(=O)c1ccc(cc1Cl)F 1458a_100011216618_100012056422 [0,2,0,0,0,0|2,0,0]=4 6417 B16R1.24755 O=C(CCO)CC(=O)c1ccc(cc1F)Br 1458a_100011216618_200012361339 [0,2,0,0,0,0|2,0,0]=4 6418 B16R1.24755 O=C(CCO)CC(=O)c1ccc(cc1F)Cl 1458a_100011216618_100012351891 [0,2,0,0,0,0|2,0,0]=4 6419 B16R1.24755 O=C(CCO)CC(=O)c1ccc(cc1F)F 1458a_100011216618_100000229962 [0,2,0,0,0,0|2,0,0]=4 6420 B16R1.24755 O=C(CCO)CC(=O)c1ccc(cc1O)F 1458a_100011216618_100009817053 [0,2,0,0,0,0|2,0,0]=4 6421 B16R1.24755 O=C(CCO)CC(=O)c1ccc(cc1O)O 1458a_100011216618_100009814262 [0,2,0,0,0,0|2,0,0]=4 6422 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000036128 [0,2,0,0,0,0|0,0,2]=4 6423 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1Br)C 1458a_100000692419_100000036128 [0,2,0,0,0,0|0,0,2]=4 6424 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000036128 [0,2,0,0,0,0|0,0,2]=4 6425 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1Br)F 1458a_100011217547_100000036128 [0,2,0,0,0,0|0,0,2]=4 6426 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1Br)I 1458a_100010232522_100000036128 [0,2,0,0,0,0|0,0,2]=4 6427 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1Br)O 1458a_100010230362_100000036128 [0,2,0,0,0,0|0,0,2]=4 6428 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1C)Br 1458a_100000760464_100000036128 [0,2,0,0,0,0|0,0,2]=4 6429 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1C)C 1458a_100000183679_100000036128 [0,2,0,0,0,0|0,0,2]=4 6430 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000036128 [0,2,0,0,0,0|0,0,2]=4 6431 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1C)F 1458a_100011218272_100000036128 [0,2,0,0,0,0|0,0,2]=4 6432 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1C)I 1458a_100000751865_100000036128 [0,2,0,0,0,0|0,0,2]=4 6433 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1C)O 1458a_100000766327_100000036128 [0,2,0,0,0,0|0,0,2]=4 6434 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000036128 [0,2,0,0,0,0|0,0,2]=4 6435 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000036128 [0,2,0,0,0,0|0,0,2]=4 6436 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000036128 [0,2,0,0,0,0|0,0,2]=4 6437 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000036128 [0,2,0,0,0,0|0,0,2]=4 6438 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000036128 [0,2,0,0,0,0|0,0,2]=4 6439 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000036128 [0,2,0,0,0,0|0,0,2]=4 6440 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1F)Br 1458a_100000756403_100000036128 [0,2,0,0,0,0|0,0,2]=4 6441 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1F)C 1458a_100000766181_100000036128 [0,2,0,0,0,0|0,0,2]=4 6442 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000036128 [0,2,0,0,0,0|0,0,2]=4 6443 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1F)F 1458a_100000748134_100000036128 [0,2,0,0,0,0|0,0,2]=4 6444 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1F)I 1458a_100010185205_100000036128 [0,2,0,0,0,0|0,0,2]=4 6445 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1F)O 1458a_100000037433_100000036128 [0,2,0,0,0,0|0,0,2]=4 6446 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1I)Br 1458a_100000688019_100000036128 [0,2,0,0,0,0|0,0,2]=4 6447 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1I)C 1458a_100000739377_100000036128 [0,2,0,0,0,0|0,0,2]=4 6448 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000036128 [0,2,0,0,0,0|0,0,2]=4 6449 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1I)F 1458a_100000690930_100000036128 [0,2,0,0,0,0|0,0,2]=4 6450 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1I)O 1458a_100010084636_100000036128 [0,2,0,0,0,0|0,0,2]=4 6451 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1O)Br 1458a_100000752940_100000036128 [0,2,0,0,0,0|0,0,2]=4 6452 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1O)C 1458a_100000183896_100000036128 [0,2,0,0,0,0|0,0,2]=4 6453 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000036128 [0,2,0,0,0,0|0,0,2]=4 6454 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1O)F 1458a_100011217230_100000036128 [0,2,0,0,0,0|0,0,2]=4 6455 B16R1.19 C=COC(=O)CC(=O)c1cccc(c1O)O 1458a_100000690420_100000036128 [0,2,0,0,0,0|0,0,2]=4 6456 B16R1.19 CC#CC(=O)CC(=O)c1cccc(c1C)I 1458a_100000763181_100160470822 [0,2,0,0,0,0|1,0,1]=4 6457 B16R1.19 CC#CC(=O)CC(=O)c1cccc(c1F)Br 1458a_100000763181_100012356374 [0,2,0,0,0,0|1,0,1]=4 6458 B16R1.19 CC#CC(=O)CC(=O)c1cccc(c1F)Cl 1458a_100000763181_200012351890 [0,2,0,0,0,0|1,0,1]=4 6459 B16R1.19 CC=CC(=O)CC(=O)c1cccc(c1C)I 1458a_100000210699_100160470822 [0,2,0,0,0,0|1,0,1]=4 6460 B16R1.19 CC=CC(=O)CC(=O)c1cccc(c1F)Br 1458a_100000210699_100012356374 [0,2,0,0,0,0|1,0,1]=4 6461 B16R1.19 CC=CC(=O)CC(=O)c1cccc(c1F)Cl 1458a_100000210699_200012351890 [0,2,0,0,0,0|1,0,1]=4 6462 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000747444 [0,2,0,0,0,0|1,0,0]=3 6463 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1Br)C 1458a_100000692419_100000747444 [0,2,0,0,0,0|1,0,0]=3 6464 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000747444 [0,2,0,0,0,0|1,0,0]=3 6465 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1Br)F 1458a_100011217547_100000747444 [0,2,0,0,0,0|1,0,0]=3 6466 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1Br)I 1458a_100010232522_100000747444 [0,2,0,0,0,0|1,0,0]=3 6467 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1Br)O 1458a_100010230362_100000747444 [0,2,0,0,0,0|1,0,0]=3 6468 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1C)Br 1458a_100000760464_100000747444 [0,2,0,0,0,0|1,0,0]=3 6469 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1C)C 1458a_100000183679_100000747444 [0,2,0,0,0,0|1,0,0]=3 6470 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000747444 [0,2,0,0,0,0|1,0,0]=3 6471 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1C)F 1458a_100011218272_100000747444 [0,2,0,0,0,0|1,0,0]=3 6472 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1C)I 1458a_100000211992_100160470822 [0,2,0,0,0,0|1,0,0]=3 6473 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1C)I 1458a_100000751865_100000747444 [0,2,0,0,0,0|1,0,0]=3 6474 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1C)O 1458a_100000766327_100000747444 [0,2,0,0,0,0|1,0,0]=3 6475 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000747444 [0,2,0,0,0,0|1,0,0]=3 6476 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000747444 [0,2,0,0,0,0|1,0,0]=3 6477 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000747444 [0,2,0,0,0,0|1,0,0]=3 6478 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000747444 [0,2,0,0,0,0|1,0,0]=3 6479 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000747444 [0,2,0,0,0,0|1,0,0]=3 6480 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000747444 [0,2,0,0,0,0|1,0,0]=3 6481 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1F)Br 1458a_100000211992_100012356374 [0,2,0,0,0,0|1,0,0]=3 6482 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1F)Br 1458a_100000756403_100000747444 [0,2,0,0,0,0|1,0,0]=3 6483 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1F)C 1458a_100000766181_100000747444 [0,2,0,0,0,0|1,0,0]=3 6484 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1F)Cl 1458a_100000211992_200012351890 [0,2,0,0,0,0|1,0,0]=3 6485 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000747444 [0,2,0,0,0,0|1,0,0]=3 6486 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1F)F 1458a_100000748134_100000747444 [0,2,0,0,0,0|1,0,0]=3 6487 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1F)I 1458a_100010185205_100000747444 [0,2,0,0,0,0|1,0,0]=3 6488 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1F)O 1458a_100000037433_100000747444 [0,2,0,0,0,0|1,0,0]=3 6489 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1I)Br 1458a_100000688019_100000747444 [0,2,0,0,0,0|1,0,0]=3 6490 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1I)C 1458a_100000739377_100000747444 [0,2,0,0,0,0|1,0,0]=3 6491 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000747444 [0,2,0,0,0,0|1,0,0]=3 6492 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1I)F 1458a_100000690930_100000747444 [0,2,0,0,0,0|1,0,0]=3 6493 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1I)O 1458a_100010084636_100000747444 [0,2,0,0,0,0|1,0,0]=3 6494 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1O)Br 1458a_100000752940_100000747444 [0,2,0,0,0,0|1,0,0]=3 6495 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1O)C 1458a_100000183896_100000747444 [0,2,0,0,0,0|1,0,0]=3 6496 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000747444 [0,2,0,0,0,0|1,0,0]=3 6497 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1O)F 1458a_100011217230_100000747444 [0,2,0,0,0,0|1,0,0]=3 6498 B16R1.19 CCCC(=O)CC(=O)c1cccc(c1O)O 1458a_100000690420_100000747444 [0,2,0,0,0,0|1,0,0]=3 6499 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000183381 [0,2,0,0,0,0|1,0,0]=3 6500 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1Br)C 1458a_100000692419_100000183381 [0,2,0,0,0,0|1,0,0]=3 6501 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000183381 [0,2,0,0,0,0|1,0,0]=3 6502 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1Br)F 1458a_100011217547_100000183381 [0,2,0,0,0,0|1,0,0]=3 6503 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1Br)I 1458a_100010232522_100000183381 [0,2,0,0,0,0|1,0,0]=3 6504 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1Br)O 1458a_100010230362_100000183381 [0,2,0,0,0,0|1,0,0]=3 6505 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1C)Br 1458a_100000760464_100000183381 [0,2,0,0,0,0|1,0,0]=3 6506 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1C)C 1458a_100000183679_100000183381 [0,2,0,0,0,0|1,0,0]=3 6507 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000183381 [0,2,0,0,0,0|1,0,0]=3 6508 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1C)F 1458a_100011218272_100000183381 [0,2,0,0,0,0|1,0,0]=3 6509 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1C)I 1458a_100000751865_100000183381 [0,2,0,0,0,0|1,0,0]=3 6510 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1C)O 1458a_100000766327_100000183381 [0,2,0,0,0,0|1,0,0]=3 6511 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000183381 [0,2,0,0,0,0|1,0,0]=3 6512 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000183381 [0,2,0,0,0,0|1,0,0]=3 6513 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000183381 [0,2,0,0,0,0|1,0,0]=3 6514 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000183381 [0,2,0,0,0,0|1,0,0]=3 6515 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000183381 [0,2,0,0,0,0|1,0,0]=3 6516 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000183381 [0,2,0,0,0,0|1,0,0]=3 6517 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1F)Br 1458a_100000756403_100000183381 [0,2,0,0,0,0|1,0,0]=3 6518 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1F)C 1458a_100000766181_100000183381 [0,2,0,0,0,0|1,0,0]=3 6519 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000183381 [0,2,0,0,0,0|1,0,0]=3 6520 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1F)F 1458a_100000748134_100000183381 [0,2,0,0,0,0|1,0,0]=3 6521 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1F)I 1458a_100010185205_100000183381 [0,2,0,0,0,0|1,0,0]=3 6522 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1F)O 1458a_100000037433_100000183381 [0,2,0,0,0,0|1,0,0]=3 6523 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1I)Br 1458a_100000688019_100000183381 [0,2,0,0,0,0|1,0,0]=3 6524 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1I)C 1458a_100000739377_100000183381 [0,2,0,0,0,0|1,0,0]=3 6525 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000183381 [0,2,0,0,0,0|1,0,0]=3 6526 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1I)F 1458a_100000690930_100000183381 [0,2,0,0,0,0|1,0,0]=3 6527 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1I)O 1458a_100010084636_100000183381 [0,2,0,0,0,0|1,0,0]=3 6528 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1O)Br 1458a_100000752940_100000183381 [0,2,0,0,0,0|1,0,0]=3 6529 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1O)C 1458a_100000183896_100000183381 [0,2,0,0,0,0|1,0,0]=3 6530 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000183381 [0,2,0,0,0,0|1,0,0]=3 6531 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1O)F 1458a_100011217230_100000183381 [0,2,0,0,0,0|1,0,0]=3 6532 B16R1.19 CCNC(=O)CC(=O)c1cccc(c1O)O 1458a_100000690420_100000183381 [0,2,0,0,0,0|1,0,0]=3 6533 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1Br)O 271570a_100050291487_100010187914 [0,2,0,0,0,0|1,0,1]=4 6534 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1C)Br 271570a_100050291487_100012353703 [0,2,0,0,0,0|1,0,1]=4 6535 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1C)C 271570a_100050291487_100011214922 [0,2,0,0,0,0|1,0,1]=4 6536 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1C)Cl 271570a_100050291487_100000726075 [0,2,0,0,0,0|1,0,1]=4 6537 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1C)F 271570a_100050291487_100011216893 [0,2,0,0,0,0|1,0,1]=4 6538 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1C)N 271570a_100050291487_100000761887 [0,2,0,0,0,0|1,0,1]=4 6539 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1C)O 271570a_100050291487_100012002258 [0,2,0,0,0,0|1,0,1]=4 6540 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1Cl)Br 271570a_100050291487_100010142854 [0,2,0,0,0,0|1,0,1]=4 6541 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1Cl)C 271570a_100050291487_200012352035 [0,2,0,0,0,0|1,0,1]=4 6542 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1Cl)Cl 271570a_100050291487_100011215384 [0,2,0,0,0,0|1,0,1]=4 6543 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1Cl)F 271570a_100050291487_200010234923 [0,2,0,0,0,0|1,0,1]=4 6544 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1Cl)O 271570a_100050291487_100000049636 [0,2,0,0,0,0|1,0,1]=4 6545 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1F)Br 271570a_100050291487_100000702267 [0,2,0,0,0,0|1,0,1]=4 6546 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1F)C 271570a_100050291487_100000717567 [0,2,0,0,0,0|1,0,1]=4 6547 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1F)Cl 271570a_100050291487_100011217346 [0,2,0,0,0,0|1,0,1]=4 6548 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1F)F 271570a_100050291487_100000694657 [0,2,0,0,0,0|1,0,1]=4 6549 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1F)N 271570a_100050291487_100011935091 [0,2,0,0,0,0|1,0,1]=4 6550 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1F)O 271570a_100050291487_100009817021 [0,2,0,0,0,0|1,0,1]=4 6551 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1N)Br 271570a_100050291487_100010146558 [0,2,0,0,0,0|1,0,1]=4 6552 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1N)C 271570a_100050291487_100011834072 [0,2,0,0,0,0|1,0,1]=4 6553 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1N)Cl 271570a_100050291487_100010190421 [0,2,0,0,0,0|1,0,1]=4 6554 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1N)F 271570a_100050291487_100000042321 [0,2,0,0,0,0|1,0,1]=4 6555 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1N)N 271570a_100050291487_100015191791 [0,2,0,0,0,0|1,0,1]=4 6556 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1N)O 271570a_100050291487_100011934926 [0,2,0,0,0,0|1,0,1]=4 6557 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1O)Br 271570a_100050291487_100010084509 [0,2,0,0,0,0|1,0,1]=4 6558 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1O)C 271570a_100050291487_100009817157 [0,2,0,0,0,0|1,0,1]=4 6559 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1O)Cl 271570a_100050291487_100010202889 [0,2,0,0,0,0|1,0,1]=4 6560 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1O)F 271570a_100050291487_100009813666 [0,2,0,0,0,0|1,0,1]=4 6561 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1O)N 271570a_100050291487_100011934915 [0,2,0,0,0,0|1,0,1]=4 6562 B16R1.19 CCOC(=O)/C=C(\C)/c1cccc(c1O)O 271570a_100050291487_100009815950 [0,2,0,0,0,0|1,0,1]=4 6563 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000188475 [0,2,0,0,0,0|0,0,0]=2 6564 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1Br)C 1458a_100000692419_100000188475 [0,2,0,0,0,0|0,0,0]=2 6565 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000188475 [0,2,0,0,0,0|0,0,0]=2 6566 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1Br)F 1458a_100011217547_100000188475 [0,2,0,0,0,0|0,0,0]=2 6567 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1Br)I 1458a_100010232522_100000188475 [0,2,0,0,0,0|0,0,0]=2 6568 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1Br)O 1458a_100010230362_100000188475 [0,2,0,0,0,0|0,0,0]=2 6569 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1C)Br 1458a_100000760464_100000188475 [0,2,0,0,0,0|0,0,0]=2 6570 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1C)C 1458a_100000183679_100000188475 [0,2,0,0,0,0|0,0,0]=2 6571 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000188475 [0,2,0,0,0,0|0,0,0]=2 6572 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1C)F 1458a_100011218272_100000188475 [0,2,0,0,0,0|0,0,0]=2 6573 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1C)I 1458a_100000751865_100000188475 [0,2,0,0,0,0|0,0,0]=2 6574 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1C)O 1458a_100000766327_100000188475 [0,2,0,0,0,0|0,0,0]=2 6575 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000188475 [0,2,0,0,0,0|0,0,0]=2 6576 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000188475 [0,2,0,0,0,0|0,0,0]=2 6577 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000188475 [0,2,0,0,0,0|0,0,0]=2 6578 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000188475 [0,2,0,0,0,0|0,0,0]=2 6579 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000188475 [0,2,0,0,0,0|0,0,0]=2 6580 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000188475 [0,2,0,0,0,0|0,0,0]=2 6581 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1F)Br 1458a_100000756403_100000188475 [0,2,0,0,0,0|0,0,0]=2 6582 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1F)C 1458a_100000766181_100000188475 [0,2,0,0,0,0|0,0,0]=2 6583 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000188475 [0,2,0,0,0,0|0,0,0]=2 6584 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1F)F 1458a_100000748134_100000188475 [0,2,0,0,0,0|0,0,0]=2 6585 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1F)I 1458a_100010185205_100000188475 [0,2,0,0,0,0|0,0,0]=2 6586 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1F)O 1458a_100000037433_100000188475 [0,2,0,0,0,0|0,0,0]=2 6587 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1I)Br 1458a_100000688019_100000188475 [0,2,0,0,0,0|0,0,0]=2 6588 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1I)C 1458a_100000739377_100000188475 [0,2,0,0,0,0|0,0,0]=2 6589 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000188475 [0,2,0,0,0,0|0,0,0]=2 6590 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1I)F 1458a_100000690930_100000188475 [0,2,0,0,0,0|0,0,0]=2 6591 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1I)O 1458a_100010084636_100000188475 [0,2,0,0,0,0|0,0,0]=2 6592 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1O)Br 1458a_100000752940_100000188475 [0,2,0,0,0,0|0,0,0]=2 6593 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1O)C 1458a_100000183896_100000188475 [0,2,0,0,0,0|0,0,0]=2 6594 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000188475 [0,2,0,0,0,0|0,0,0]=2 6595 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1O)F 1458a_100011217230_100000188475 [0,2,0,0,0,0|0,0,0]=2 6596 B16R1.19 CCOC(=O)CC(=O)c1cccc(c1O)O 1458a_100000690420_100000188475 [0,2,0,0,0,0|0,0,0]=2 6597 B16R1.19 CCOC(=O)CN(C)c1cccc(c1C)Cl 2230a_100020606106_100000188475 [0,2,0,0,0,0|2,0,0]=4 6598 B16R1.19 CCOC(=O)CN(C)c1cccc(c1C)Cl 269982a_100020606106_100000188475 [0,2,0,0,0,0|2,0,0]=4 6599 B16R1.19 CCOC(=O)CN(C)c1cccc(c1C)Cl 34a_100020606106_100000188475 [0,2,0,0,0,0|2,0,0]=4 6600 B16R1.19 CCOC(=O)CN(C)c1cccc(c1Cl)Cl 2230a_100000742713_100000188475 [0,2,0,0,0,0|2,0,0]=4 6601 B16R1.19 CCOC(=O)CN(C)c1cccc(c1Cl)Cl 269982a_100000742713_100000188475 [0,2,0,0,0,0|2,0,0]=4 6602 B16R1.19 CCOC(=O)CN(C)c1cccc(c1Cl)Cl 34a_100000742713_100000188475 [0,2,0,0,0,0|2,0,0]=4 6603 B16R1.19 CCOC(=O)CN(C)c1cccc(c1F)Cl 2230a_100020633735_100000188475 [0,2,0,0,0,0|2,0,0]=4 6604 B16R1.19 CCOC(=O)CN(C)c1cccc(c1F)Cl 269982a_100020633735_100000188475 [0,2,0,0,0,0|2,0,0]=4 6605 B16R1.19 CCOC(=O)CN(C)c1cccc(c1F)Cl 34a_100020633735_100000188475 [0,2,0,0,0,0|2,0,0]=4 6606 B16R1.19 COCC(=O)CC(=O)c1cccc(c1C)I 1458a_100000210968_100160470822 [0,2,0,0,0,0|2,0,0]=4 6607 B16R1.19 COCC(=O)CC(=O)c1cccc(c1F)Br 1458a_100000210968_100012356374 [0,2,0,0,0,0|2,0,0]=4 6608 B16R1.19 COCC(=O)CC(=O)c1cccc(c1F)Cl 1458a_100000210968_200012351890 [0,2,0,0,0,0|2,0,0]=4 6609 B16R1.19 CSCC(=O)CC(=O)c1cccc(c1C)I 1458a_100000184570_100160470822 [0,2,0,0,0,0|2,0,0]=4 6610 B16R1.19 CSCC(=O)CC(=O)c1cccc(c1F)Br 1458a_100000184570_100012356374 [0,2,0,0,0,0|2,0,0]=4 6611 B16R1.19 CSCC(=O)CC(=O)c1cccc(c1F)Cl 1458a_100000184570_200012351890 [0,2,0,0,0,0|2,0,0]=4 6612 B16R1.19 Cc1c(cccc1C(=O)CC(=O)CCO)I 1458a_100011216618_100160470822 [0,2,0,0,0,0|2,0,0]=4 6613 B16R1.19 Cc1c(cccc1C(=O)CC(=O)NCO)Br 1458a_100000760464_100000185155 [0,2,0,0,0,0|2,0,0]=4 6614 B16R1.19 Cc1c(cccc1C(=O)CC(=O)NCO)Cl 1458a_100000690184_100000185155 [0,2,0,0,0,0|2,0,0]=4 6615 B16R1.19 Cc1c(cccc1C(=O)CC(=O)NCO)F 1458a_100011218272_100000185155 [0,2,0,0,0,0|2,0,0]=4 6616 B16R1.19 Cc1c(cccc1C(=O)CC(=O)NCO)I 1458a_100000751865_100000185155 [0,2,0,0,0,0|2,0,0]=4 6617 B16R1.19 Cc1c(cccc1C(=O)CC(=O)NCO)O 1458a_100000766327_100000185155 [0,2,0,0,0,0|2,0,0]=4 6618 B16R1.19 Cc1cccc(c1Br)C(=O)CC(=O)NCO 1458a_100000692419_100000185155 [0,2,0,0,0,0|2,0,0]=4 6619 B16R1.19 Cc1cccc(c1C)C(=O)CC(=O)NCO 1458a_100000183679_100000185155 [0,2,0,0,0,0|2,0,0]=4 6620 B16R1.19 Cc1cccc(c1Cl)C(=O)CC(=O)NCO 1458a_100000693142_100000185155 [0,2,0,0,0,0|2,0,0]=4 6621 B16R1.19 Cc1cccc(c1F)C(=O)CC(=O)NCO 1458a_100000766181_100000185155 [0,2,0,0,0,0|2,0,0]=4 6622 B16R1.19 Cc1cccc(c1I)C(=O)CC(=O)NCO 1458a_100000739377_100000185155 [0,2,0,0,0,0|2,0,0]=4 6623 B16R1.19 Cc1cccc(c1O)C(=O)CC(=O)NCO 1458a_100000183896_100000185155 [0,2,0,0,0,0|2,0,0]=4 6624 B16R1.19 O=C(CC(=O)c1cccc(c1Br)Br)NCO 1458a_100012360534_100000185155 [0,2,0,0,0,0|2,0,0]=4 6625 B16R1.19 O=C(CC(=O)c1cccc(c1Br)Cl)NCO 1458a_100012339722_100000185155 [0,2,0,0,0,0|2,0,0]=4 6626 B16R1.19 O=C(CC(=O)c1cccc(c1Br)F)NCO 1458a_100011217547_100000185155 [0,2,0,0,0,0|2,0,0]=4 6627 B16R1.19 O=C(CC(=O)c1cccc(c1Br)I)NCO 1458a_100010232522_100000185155 [0,2,0,0,0,0|2,0,0]=4 6628 B16R1.19 O=C(CC(=O)c1cccc(c1Br)O)NCO 1458a_100010230362_100000185155 [0,2,0,0,0,0|2,0,0]=4 6629 B16R1.19 O=C(CC(=O)c1cccc(c1Cl)Br)NCO 1458a_100000760540_100000185155 [0,2,0,0,0,0|2,0,0]=4 6630 B16R1.19 O=C(CC(=O)c1cccc(c1Cl)Cl)NCO 1458a_100000183631_100000185155 [0,2,0,0,0,0|2,0,0]=4 6631 B16R1.19 O=C(CC(=O)c1cccc(c1Cl)F)NCO 1458a_100000759904_100000185155 [0,2,0,0,0,0|2,0,0]=4 6632 B16R1.19 O=C(CC(=O)c1cccc(c1Cl)I)NCO 1458a_100010176783_100000185155 [0,2,0,0,0,0|2,0,0]=4 6633 B16R1.19 O=C(CC(=O)c1cccc(c1Cl)O)NCO 1458a_100000092362_100000185155 [0,2,0,0,0,0|2,0,0]=4 6634 B16R1.19 O=C(CC(=O)c1cccc(c1F)Br)NCO 1458a_100000756403_100000185155 [0,2,0,0,0,0|2,0,0]=4 6635 B16R1.19 O=C(CC(=O)c1cccc(c1F)Cl)NCO 1458a_100000688816_100000185155 [0,2,0,0,0,0|2,0,0]=4 6636 B16R1.19 O=C(CC(=O)c1cccc(c1F)F)NCO 1458a_100000748134_100000185155 [0,2,0,0,0,0|2,0,0]=4 6637 B16R1.19 O=C(CC(=O)c1cccc(c1F)I)NCO 1458a_100010185205_100000185155 [0,2,0,0,0,0|2,0,0]=4 6638 B16R1.19 O=C(CC(=O)c1cccc(c1F)O)NCO 1458a_100000037433_100000185155 [0,2,0,0,0,0|2,0,0]=4 6639 B16R1.19 O=C(CC(=O)c1cccc(c1I)Br)NCO 1458a_100000688019_100000185155 [0,2,0,0,0,0|2,0,0]=4 6640 B16R1.19 O=C(CC(=O)c1cccc(c1I)Cl)NCO 1458a_100010176784_100000185155 [0,2,0,0,0,0|2,0,0]=4 6641 B16R1.19 O=C(CC(=O)c1cccc(c1I)F)NCO 1458a_100000690930_100000185155 [0,2,0,0,0,0|2,0,0]=4 6642 B16R1.19 O=C(CC(=O)c1cccc(c1I)O)NCO 1458a_100010084636_100000185155 [0,2,0,0,0,0|2,0,0]=4 6643 B16R1.19 O=C(CC(=O)c1cccc(c1O)Br)NCO 1458a_100000752940_100000185155 [0,2,0,0,0,0|2,0,0]=4 6644 B16R1.19 O=C(CC(=O)c1cccc(c1O)Cl)NCO 1458a_100000742801_100000185155 [0,2,0,0,0,0|2,0,0]=4 6645 B16R1.19 O=C(CC(=O)c1cccc(c1O)F)NCO 1458a_100011217230_100000185155 [0,2,0,0,0,0|2,0,0]=4 6646 B16R1.19 O=C(CC(=O)c1cccc(c1O)O)NCO 1458a_100000690420_100000185155 [0,2,0,0,0,0|2,0,0]=4 6647 B16R1.19 O=C(CCO)CC(=O)c1cccc(c1F)Br 1458a_100011216618_100012356374 [0,2,0,0,0,0|2,0,0]=4 6648 B16R1.19 O=C(CCO)CC(=O)c1cccc(c1F)Cl 1458a_100011216618_200012351890 [0,2,0,0,0,0|2,0,0]=4 6649 B16R1.79 C#CCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000692101_100000212080 [0,2,0,0,0,0|1,0,1]=4 6650 B16R1.79 C#CCCC(=O)CC(=O)c1cccc(c1)C 1458a_100000692101_100000739480 [0,2,0,0,0,0|1,0,1]=4 6651 B16R1.79 C#CCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000692101_100000211444 [0,2,0,0,0,0|1,0,1]=4 6652 B16R1.79 C#CCCC(=O)CC(=O)c1cccc(c1)F 1458a_100000692101_100000215616 [0,2,0,0,0,0|1,0,1]=4 6653 B16R1.79 C#CCCC(=O)CC(=O)c1cccc(c1)O 1458a_100000692101_100009813753 [0,2,0,0,0,0|1,0,1]=4 6654 B16R1.79 C=C(CC(=O)c1cccc(c1)Br)OCOC 1458a_100000210664_100000042856 [0,2,0,0,0,0|1,0,0]=3 6655 B16R1.79 C=C(CC(=O)c1cccc(c1)C)OCOC 1458a_100000189346_100000042856 [0,2,0,0,0,0|1,0,0]=3 6656 B16R1.79 C=C(CC(=O)c1cccc(c1)Cl)OCOC 1458a_100000210390_100000042856 [0,2,0,0,0,0|1,0,0]=3 6657 B16R1.79 C=C(CC(=O)c1cccc(c1)F)OCOC 1458a_100000210950_100000042856 [0,2,0,0,0,0|1,0,0]=3 6658 B16R1.79 C=C(CC(=O)c1cccc(c1)I)OCOC 1458a_100000184098_100000042856 [0,2,0,0,0,0|1,0,0]=3 6659 B16R1.79 C=C(CC(=O)c1cccc(c1)O)OCOC 1458a_100000183914_100000042856 [0,2,0,0,0,0|1,0,0]=3 6660 B16R1.79 C=CCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000749702_100000212080 [0,2,0,0,0,0|1,0,1]=4 6661 B16R1.79 C=CCCC(=O)CC(=O)c1cccc(c1)C 1458a_100000749702_100000739480 [0,2,0,0,0,0|1,0,1]=4 6662 B16R1.79 C=CCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000749702_100000211444 [0,2,0,0,0,0|1,0,1]=4 6663 B16R1.79 C=CCCC(=O)CC(=O)c1cccc(c1)F 1458a_100000749702_100000215616 [0,2,0,0,0,0|1,0,1]=4 6664 B16R1.79 C=CCCC(=O)CC(=O)c1cccc(c1)O 1458a_100000749702_100009813753 [0,2,0,0,0,0|1,0,1]=4 6665 B16R1.79 C=CCNC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000183597 [0,2,0,0,0,0|1,0,1]=4 6666 B16R1.79 C=CCNC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000183597 [0,2,0,0,0,0|1,0,1]=4 6667 B16R1.79 C=CCNC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000183597 [0,2,0,0,0,0|1,0,1]=4 6668 B16R1.79 C=CCNC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000183597 [0,2,0,0,0,0|1,0,1]=4 6669 B16R1.79 C=CCNC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000183597 [0,2,0,0,0,0|1,0,1]=4 6670 B16R1.79 C=CCNC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000183597 [0,2,0,0,0,0|1,0,1]=4 6671 B16R1.79 C=CCOC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000033060 [0,2,0,0,0,0|0,0,1]=3 6672 B16R1.79 C=CCOC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000033060 [0,2,0,0,0,0|0,0,1]=3 6673 B16R1.79 C=CCOC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000033060 [0,2,0,0,0,0|0,0,1]=3 6674 B16R1.79 C=CCOC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000033060 [0,2,0,0,0,0|0,0,1]=3 6675 B16R1.79 C=CCOC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000033060 [0,2,0,0,0,0|0,0,1]=3 6676 B16R1.79 C=CCOC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000033060 [0,2,0,0,0,0|0,0,1]=3 6677 B16R1.79 CC=CCC(=O)CC(=O)c1cccc(c1)Br 1458a_100121576822_100000212080 [0,2,0,0,0,0|1,0,1]=4 6678 B16R1.79 CC=CCC(=O)CC(=O)c1cccc(c1)C 1458a_100121576822_100000739480 [0,2,0,0,0,0|1,0,1]=4 6679 B16R1.79 CC=CCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100121576822_100000211444 [0,2,0,0,0,0|1,0,1]=4 6680 B16R1.79 CC=CCC(=O)CC(=O)c1cccc(c1)F 1458a_100121576822_100000215616 [0,2,0,0,0,0|1,0,1]=4 6681 B16R1.79 CC=CCC(=O)CC(=O)c1cccc(c1)O 1458a_100121576822_100009813753 [0,2,0,0,0,0|1,0,1]=4 6682 B16R1.79 CCC#CC(=O)CC(=O)c1cccc(c1)Br 1458a_100011827653_100000212080 [0,2,0,0,0,0|1,0,0]=3 6683 B16R1.79 CCC#CC(=O)CC(=O)c1cccc(c1)C 1458a_100011827653_100000739480 [0,2,0,0,0,0|1,0,0]=3 6684 B16R1.79 CCC#CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100011827653_100000211444 [0,2,0,0,0,0|1,0,0]=3 6685 B16R1.79 CCC#CC(=O)CC(=O)c1cccc(c1)F 1458a_100011827653_100000215616 [0,2,0,0,0,0|1,0,0]=3 6686 B16R1.79 CCC#CC(=O)CC(=O)c1cccc(c1)O 1458a_100011827653_100009813753 [0,2,0,0,0,0|1,0,0]=3 6687 B16R1.79 CCC#CC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100011827653_100009817076 [0,2,0,0,0,0|2,0,0]=4 6688 B16R1.79 CCC=CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000212282_100000212080 [0,2,0,0,0,0|1,0,0]=3 6689 B16R1.79 CCC=CC(=O)CC(=O)c1cccc(c1)C 1458a_100000212282_100000739480 [0,2,0,0,0,0|1,0,0]=3 6690 B16R1.79 CCC=CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000212282_100000211444 [0,2,0,0,0,0|1,0,0]=3 6691 B16R1.79 CCC=CC(=O)CC(=O)c1cccc(c1)F 1458a_100000212282_100000215616 [0,2,0,0,0,0|1,0,0]=3 6692 B16R1.79 CCC=CC(=O)CC(=O)c1cccc(c1)O 1458a_100000212282_100009813753 [0,2,0,0,0,0|1,0,0]=3 6693 B16R1.79 CCC=CC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000212282_100009817076 [0,2,0,0,0,0|2,0,0]=4 6694 B16R1.79 CCCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210183_100000212080 [0,2,0,0,0,0|1,0,0]=3 6695 B16R1.79 CCCCC(=O)CC(=O)c1cccc(c1)C 1458a_100000210183_100000739480 [0,2,0,0,0,0|1,0,0]=3 6696 B16R1.79 CCCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210183_100000211444 [0,2,0,0,0,0|1,0,0]=3 6697 B16R1.79 CCCCC(=O)CC(=O)c1cccc(c1)F 1458a_100000210183_100000215616 [0,2,0,0,0,0|1,0,0]=3 6698 B16R1.79 CCCCC(=O)CC(=O)c1cccc(c1)O 1458a_100000210183_100009813753 [0,2,0,0,0,0|1,0,0]=3 6699 B16R1.79 CCCCC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000210183_100009817076 [0,2,0,0,0,0|2,0,0]=4 6700 B16R1.79 CCCNC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000183358 [0,2,0,0,0,0|1,0,0]=3 6701 B16R1.79 CCCNC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000183358 [0,2,0,0,0,0|1,0,0]=3 6702 B16R1.79 CCCNC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000183358 [0,2,0,0,0,0|1,0,0]=3 6703 B16R1.79 CCCNC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000183358 [0,2,0,0,0,0|1,0,0]=3 6704 B16R1.79 CCCNC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000183358 [0,2,0,0,0,0|1,0,0]=3 6705 B16R1.79 CCCNC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000183358 [0,2,0,0,0,0|1,0,0]=3 6706 B16R1.79 CCCOC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_200011215008 [0,2,0,0,0,0|0,0,0]=2 6707 B16R1.79 CCCOC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_200011215008 [0,2,0,0,0,0|0,0,0]=2 6708 B16R1.79 CCCOC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_200011215008 [0,2,0,0,0,0|0,0,0]=2 6709 B16R1.79 CCCOC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_200011215008 [0,2,0,0,0,0|0,0,0]=2 6710 B16R1.79 CCCOC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_200011215008 [0,2,0,0,0,0|0,0,0]=2 6711 B16R1.79 CCCOC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_200011215008 [0,2,0,0,0,0|0,0,0]=2 6712 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)Br 2230a_100000219648_200011215008 [0,2,0,0,0,0|2,0,0]=4 6713 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)Br 269982a_100000219648_200011215008 [0,2,0,0,0,0|2,0,0]=4 6714 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)Br 34a_100000219648_200011215008 [0,2,0,0,0,0|2,0,0]=4 6715 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)C 2230a_100000219674_200011215008 [0,2,0,0,0,0|2,0,0]=4 6716 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)C 269982a_100000219674_200011215008 [0,2,0,0,0,0|2,0,0]=4 6717 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)C 34a_100000219674_200011215008 [0,2,0,0,0,0|2,0,0]=4 6718 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220044_200011215008 [0,2,0,0,0,0|2,0,0]=4 6719 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220044_200011215008 [0,2,0,0,0,0|2,0,0]=4 6720 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)Cl 34a_100000220044_200011215008 [0,2,0,0,0,0|2,0,0]=4 6721 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)F 2230a_100020633736_200011215008 [0,2,0,0,0,0|2,0,0]=4 6722 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)F 269982a_100020633736_200011215008 [0,2,0,0,0,0|2,0,0]=4 6723 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)F 34a_100020633736_200011215008 [0,2,0,0,0,0|2,0,0]=4 6724 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)I 2230a_100000221217_200011215008 [0,2,0,0,0,0|2,0,0]=4 6725 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)I 269982a_100000221217_200011215008 [0,2,0,0,0,0|2,0,0]=4 6726 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)I 34a_100000221217_200011215008 [0,2,0,0,0,0|2,0,0]=4 6727 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)O 2230a_100000756613_200011215008 [0,2,0,0,0,0|2,0,0]=4 6728 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_200011215008 [0,2,0,0,0,0|2,0,0]=4 6729 B16R1.79 CCCOC(=O)CN(C)c1cccc(c1)O 34a_100000756613_200011215008 [0,2,0,0,0,0|2,0,0]=4 6730 B16R1.79 CCOCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000211967_100000212080 [0,2,0,0,0,0|0,0,0]=2 6731 B16R1.79 CCOCC(=O)CC(=O)c1cccc(c1)C 1458a_100000211967_100000739480 [0,2,0,0,0,0|0,0,0]=2 6732 B16R1.79 CCOCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000211967_100000211444 [0,2,0,0,0,0|0,0,0]=2 6733 B16R1.79 CCOCC(=O)CC(=O)c1cccc(c1)F 1458a_100000211967_100000215616 [0,2,0,0,0,0|0,0,0]=2 6734 B16R1.79 CCOCC(=O)CC(=O)c1cccc(c1)O 1458a_100000211967_100009813753 [0,2,0,0,0,0|0,0,0]=2 6735 B16R1.79 CCOCC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000211967_100009817076 [0,2,0,0,0,0|1,0,0]=3 6736 B16R1.79 CCSCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000230394_100000212080 [0,2,0,0,0,0|0,1,0]=3 6737 B16R1.79 CCSCC(=O)CC(=O)c1cccc(c1)C 1458a_100000230394_100000739480 [0,2,0,0,0,0|0,1,0]=3 6738 B16R1.79 CCSCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000230394_100000211444 [0,2,0,0,0,0|0,1,0]=3 6739 B16R1.79 CCSCC(=O)CC(=O)c1cccc(c1)F 1458a_100000230394_100000215616 [0,2,0,0,0,0|0,1,0]=3 6740 B16R1.79 CCSCC(=O)CC(=O)c1cccc(c1)O 1458a_100000230394_100009813753 [0,2,0,0,0,0|0,1,0]=3 6741 B16R1.79 CCSCC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000230394_100009817076 [0,2,0,0,0,0|1,1,0]=4 6742 B16R1.79 COC=CC(=O)CC(=O)c1cccc(c1)Br 1458a_100016268678_100000212080 [0,2,0,0,0,0|1,0,1]=4 6743 B16R1.79 COC=CC(=O)CC(=O)c1cccc(c1)C 1458a_100016268678_100000739480 [0,2,0,0,0,0|1,0,1]=4 6744 B16R1.79 COC=CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100016268678_100000211444 [0,2,0,0,0,0|1,0,1]=4 6745 B16R1.79 COC=CC(=O)CC(=O)c1cccc(c1)F 1458a_100016268678_100000215616 [0,2,0,0,0,0|1,0,1]=4 6746 B16R1.79 COC=CC(=O)CC(=O)c1cccc(c1)O 1458a_100016268678_100009813753 [0,2,0,0,0,0|1,0,1]=4 6747 B16R1.79 COCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000749529_100000212080 [0,2,0,0,0,0|1,0,0]=3 6748 B16R1.79 COCCC(=O)CC(=O)c1cccc(c1)C 1458a_100000749529_100000739480 [0,2,0,0,0,0|1,0,0]=3 6749 B16R1.79 COCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000749529_100000211444 [0,2,0,0,0,0|1,0,0]=3 6750 B16R1.79 COCCC(=O)CC(=O)c1cccc(c1)F 1458a_100000749529_100000215616 [0,2,0,0,0,0|1,0,0]=3 6751 B16R1.79 COCCC(=O)CC(=O)c1cccc(c1)O 1458a_100000749529_100009813753 [0,2,0,0,0,0|1,0,0]=3 6752 B16R1.79 COCCC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000749529_100009817076 [0,2,0,0,0,0|2,0,0]=4 6753 B16R1.79 CSCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000174002_100000212080 [0,2,0,0,0,0|1,0,0]=3 6754 B16R1.79 CSCCC(=O)CC(=O)c1cccc(c1)C 1458a_100000174002_100000739480 [0,2,0,0,0,0|1,0,0]=3 6755 B16R1.79 CSCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000174002_100000211444 [0,2,0,0,0,0|1,0,0]=3 6756 B16R1.79 CSCCC(=O)CC(=O)c1cccc(c1)F 1458a_100000174002_100000215616 [0,2,0,0,0,0|1,0,0]=3 6757 B16R1.79 CSCCC(=O)CC(=O)c1cccc(c1)O 1458a_100000174002_100009813753 [0,2,0,0,0,0|1,0,0]=3 6758 B16R1.79 CSCCC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000174002_100009817076 [0,2,0,0,0,0|2,0,0]=4 6759 B16R1.79 Cc1cccc(c1)C(=O)CC(=O)C#CCO 1458a_100000049017_100000739480 [0,2,0,0,0,0|1,0,1]=4 6760 B16R1.79 Cc1cccc(c1)C(=O)CC(=O)CCC#N 1458a_100011934036_100000739480 [0,2,0,0,0,0|1,0,1]=4 6761 B16R1.79 Cc1cccc(c1)C(=O)CC(=O)NCC#N 1458a_100000189346_100000736037 [0,2,0,0,0,0|1,0,1]=4 6762 B16R1.79 N#CCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100011934036_100000212080 [0,2,0,0,0,0|1,0,1]=4 6763 B16R1.79 N#CCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100011934036_100000211444 [0,2,0,0,0,0|1,0,1]=4 6764 B16R1.79 N#CCCC(=O)CC(=O)c1cccc(c1)F 1458a_100011934036_100000215616 [0,2,0,0,0,0|1,0,1]=4 6765 B16R1.79 N#CCCC(=O)CC(=O)c1cccc(c1)O 1458a_100011934036_100009813753 [0,2,0,0,0,0|1,0,1]=4 6766 B16R1.79 N#CCNC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000736037 [0,2,0,0,0,0|1,0,1]=4 6767 B16R1.79 N#CCNC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000736037 [0,2,0,0,0,0|1,0,1]=4 6768 B16R1.79 N#CCNC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000736037 [0,2,0,0,0,0|1,0,1]=4 6769 B16R1.79 N#CCNC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000736037 [0,2,0,0,0,0|1,0,1]=4 6770 B16R1.79 N#CCNC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000736037 [0,2,0,0,0,0|1,0,1]=4 6771 B16R1.79 O=C(C#CCO)CC(=O)c1cccc(c1)Br 1458a_100000049017_100000212080 [0,2,0,0,0,0|1,0,1]=4 6772 B16R1.79 O=C(C#CCO)CC(=O)c1cccc(c1)Cl 1458a_100000049017_100000211444 [0,2,0,0,0,0|1,0,1]=4 6773 B16R1.79 O=C(C#CCO)CC(=O)c1cccc(c1)F 1458a_100000049017_100000215616 [0,2,0,0,0,0|1,0,1]=4 6774 B16R1.79 O=C(C#CCO)CC(=O)c1cccc(c1)O 1458a_100000049017_100009813753 [0,2,0,0,0,0|1,0,1]=4 6775 B16R1.686 CC#CC(=O)C(C)C(=O)c1cccc(c1)Br 1458a_100000763181_100012349134 [0,2,0,0,0,0|1,0,1]=4 6776 B16R1.686 CC#CC(=O)C(C)C(=O)c1cccc(c1)Cl 1458a_100000763181_100000184413 [0,2,0,0,0,0|1,0,1]=4 6777 B16R1.686 CC#CC(=O)C(C)C(=O)c1cccc(c1)F 1458a_100000763181_100012356231 [0,2,0,0,0,0|1,0,1]=4 6778 B16R1.686 CC(C(=O)CCO)C(=O)c1cccc(c1)Br 1458a_100011216618_100012349134 [0,2,0,0,0,0|2,0,0]=4 6779 B16R1.686 CC(C(=O)CCO)C(=O)c1cccc(c1)Cl 1458a_100011216618_100000184413 [0,2,0,0,0,0|2,0,0]=4 6780 B16R1.686 CC(C(=O)CCO)C(=O)c1cccc(c1)F 1458a_100011216618_100012356231 [0,2,0,0,0,0|2,0,0]=4 6781 B16R1.686 CC=CC(=O)C(C)C(=O)c1cccc(c1)Br 1458a_100000210699_100012349134 [0,2,0,0,0,0|1,0,1]=4 6782 B16R1.686 CC=CC(=O)C(C)C(=O)c1cccc(c1)Cl 1458a_100000210699_100000184413 [0,2,0,0,0,0|1,0,1]=4 6783 B16R1.686 CC=CC(=O)C(C)C(=O)c1cccc(c1)F 1458a_100000210699_100012356231 [0,2,0,0,0,0|1,0,1]=4 6784 B16R1.686 CCCC(=O)C(C)C(=O)c1cccc(c1)Br 1458a_100000211992_100012349134 [0,2,0,0,0,0|1,0,0]=3 6785 B16R1.686 CCCC(=O)C(C)C(=O)c1cccc(c1)Cl 1458a_100000211992_100000184413 [0,2,0,0,0,0|1,0,0]=3 6786 B16R1.686 CCCC(=O)C(C)C(=O)c1cccc(c1)F 1458a_100000211992_100012356231 [0,2,0,0,0,0|1,0,0]=3 6787 B16R1.686 CCNC(=O)C(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000230173 [0,2,0,0,0,0|1,0,0]=3 6788 B16R1.686 CCNC(=O)C(C)C(=O)c1cccc(c1)C 1458a_100000189346_100000230173 [0,2,0,0,0,0|1,0,0]=3 6789 B16R1.686 CCNC(=O)C(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000230173 [0,2,0,0,0,0|1,0,0]=3 6790 B16R1.686 CCNC(=O)C(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000230173 [0,2,0,0,0,0|1,0,0]=3 6791 B16R1.686 CCNC(=O)C(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000230173 [0,2,0,0,0,0|1,0,0]=3 6792 B16R1.686 CCNC(=O)C(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000230173 [0,2,0,0,0,0|1,0,0]=3 6793 B16R1.686 CCOC(=O)C(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100011216346 [0,2,0,0,0,0|0,0,0]=2 6794 B16R1.686 CCOC(=O)C(C)C(=O)c1cccc(c1)C 1458a_100000189346_100011216346 [0,2,0,0,0,0|0,0,0]=2 6795 B16R1.686 CCOC(=O)C(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100011216346 [0,2,0,0,0,0|0,0,0]=2 6796 B16R1.686 CCOC(=O)C(C)C(=O)c1cccc(c1)F 1458a_100000210950_100011216346 [0,2,0,0,0,0|0,0,0]=2 6797 B16R1.686 CCOC(=O)C(C)C(=O)c1cccc(c1)I 1458a_100000184098_100011216346 [0,2,0,0,0,0|0,0,0]=2 6798 B16R1.686 CCOC(=O)C(C)C(=O)c1cccc(c1)O 1458a_100000183914_100011216346 [0,2,0,0,0,0|0,0,0]=2 6799 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)Br 2230a_100000219648_100011215307 [0,2,0,0,0,0|2,0,0]=4 6800 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)Br 269982a_100000219648_100011216346 [0,2,0,0,0,0|2,0,0]=4 6801 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)Br 34a_100000219648_100011216346 [0,2,0,0,0,0|2,0,0]=4 6802 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)C 2230a_100000219674_100011215307 [0,2,0,0,0,0|2,0,0]=4 6803 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)C 269982a_100000219674_100011216346 [0,2,0,0,0,0|2,0,0]=4 6804 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)C 34a_100000219674_100011216346 [0,2,0,0,0,0|2,0,0]=4 6805 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)Cl 2230a_100000220044_100011215307 [0,2,0,0,0,0|2,0,0]=4 6806 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)Cl 269982a_100000220044_100011216346 [0,2,0,0,0,0|2,0,0]=4 6807 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)Cl 34a_100000220044_100011216346 [0,2,0,0,0,0|2,0,0]=4 6808 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)F 2230a_100020633736_100011215307 [0,2,0,0,0,0|2,0,0]=4 6809 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)F 269982a_100020633736_100011216346 [0,2,0,0,0,0|2,0,0]=4 6810 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)F 34a_100020633736_100011216346 [0,2,0,0,0,0|2,0,0]=4 6811 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)I 2230a_100000221217_100011215307 [0,2,0,0,0,0|2,0,0]=4 6812 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)I 269982a_100000221217_100011216346 [0,2,0,0,0,0|2,0,0]=4 6813 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)I 34a_100000221217_100011216346 [0,2,0,0,0,0|2,0,0]=4 6814 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)O 2230a_100000756613_100011215307 [0,2,0,0,0,0|2,0,0]=4 6815 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)O 269982a_100000756613_100011216346 [0,2,0,0,0,0|2,0,0]=4 6816 B16R1.686 CCOC(=O)C(C)N(C)c1cccc(c1)O 34a_100000756613_100011216346 [0,2,0,0,0,0|2,0,0]=4 6817 B16R1.686 CCOC(=O)C(F)C(=O)c1cccc(c1)Br 1458a_100000210664_100000760018 [0,2,0,0,0,0|0,0,0]=2 6818 B16R1.686 CCOC(=O)C(F)C(=O)c1cccc(c1)C 1458a_100000189346_100000760018 [0,2,0,0,0,0|0,0,0]=2 6819 B16R1.686 CCOC(=O)C(F)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000760018 [0,2,0,0,0,0|0,0,0]=2 6820 B16R1.686 CCOC(=O)C(F)C(=O)c1cccc(c1)F 1458a_100000210950_100000760018 [0,2,0,0,0,0|0,0,0]=2 6821 B16R1.686 CCOC(=O)C(F)C(=O)c1cccc(c1)I 1458a_100000184098_100000760018 [0,2,0,0,0,0|0,0,0]=2 6822 B16R1.686 CCOC(=O)C(F)C(=O)c1cccc(c1)O 1458a_100000183914_100000760018 [0,2,0,0,0,0|0,0,0]=2 6823 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)Br 2230a_100000219648_100000760018 [0,2,0,0,0,0|2,0,0]=4 6824 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)Br 269982a_100000219648_100000760018 [0,2,0,0,0,0|2,0,0]=4 6825 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)Br 34a_100000219648_100000760018 [0,2,0,0,0,0|2,0,0]=4 6826 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)C 2230a_100000219674_100000760018 [0,2,0,0,0,0|2,0,0]=4 6827 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)C 269982a_100000219674_100000760018 [0,2,0,0,0,0|2,0,0]=4 6828 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)C 34a_100000219674_100000760018 [0,2,0,0,0,0|2,0,0]=4 6829 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)Cl 2230a_100000220044_100000760018 [0,2,0,0,0,0|2,0,0]=4 6830 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)Cl 269982a_100000220044_100000760018 [0,2,0,0,0,0|2,0,0]=4 6831 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)Cl 34a_100000220044_100000760018 [0,2,0,0,0,0|2,0,0]=4 6832 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)F 2230a_100020633736_100000760018 [0,2,0,0,0,0|2,0,0]=4 6833 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)F 269982a_100020633736_100000760018 [0,2,0,0,0,0|2,0,0]=4 6834 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)F 34a_100020633736_100000760018 [0,2,0,0,0,0|2,0,0]=4 6835 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)I 2230a_100000221217_100000760018 [0,2,0,0,0,0|2,0,0]=4 6836 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)I 269982a_100000221217_100000760018 [0,2,0,0,0,0|2,0,0]=4 6837 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)I 34a_100000221217_100000760018 [0,2,0,0,0,0|2,0,0]=4 6838 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)O 2230a_100000756613_100000760018 [0,2,0,0,0,0|2,0,0]=4 6839 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)O 269982a_100000756613_100000760018 [0,2,0,0,0,0|2,0,0]=4 6840 B16R1.686 CCOC(=O)C(F)N(C)c1cccc(c1)O 34a_100000756613_100000760018 [0,2,0,0,0,0|2,0,0]=4 6841 B16R1.686 COCC(=O)C(C)C(=O)c1cccc(c1)Br 1458a_100000210968_100012349134 [0,2,0,0,0,0|2,0,0]=4 6842 B16R1.686 COCC(=O)C(C)C(=O)c1cccc(c1)Cl 1458a_100000210968_100000184413 [0,2,0,0,0,0|2,0,0]=4 6843 B16R1.686 COCC(=O)C(C)C(=O)c1cccc(c1)F 1458a_100000210968_100012356231 [0,2,0,0,0,0|2,0,0]=4 6844 B16R1.686 CSCC(=O)C(C)C(=O)c1cccc(c1)Br 1458a_100000184570_100012349134 [0,2,0,0,0,0|2,0,0]=4 6845 B16R1.686 CSCC(=O)C(C)C(=O)c1cccc(c1)Cl 1458a_100000184570_100000184413 [0,2,0,0,0,0|2,0,0]=4 6846 B16R1.686 CSCC(=O)C(C)C(=O)c1cccc(c1)F 1458a_100000184570_100012356231 [0,2,0,0,0,0|2,0,0]=4 6847 B16R1.1125 C/C=C(\C)/C(=O)CC(=O)c1cccc(c1)Br 1458a_100020587367_100000212080 [0,2,0,0,0,0|1,0,1]=4 6848 B16R1.1125 C/C=C(\C)/C(=O)CC(=O)c1cccc(c1)C 1458a_100020587367_100000739480 [0,2,0,0,0,0|1,0,1]=4 6849 B16R1.1125 C/C=C(\C)/C(=O)CC(=O)c1cccc(c1)Cl 1458a_100020587367_100000211444 [0,2,0,0,0,0|1,0,1]=4 6850 B16R1.1125 C/C=C(\C)/C(=O)CC(=O)c1cccc(c1)F 1458a_100020587367_100000215616 [0,2,0,0,0,0|1,0,1]=4 6851 B16R1.1125 C/C=C(\C)/C(=O)CC(=O)c1cccc(c1)O 1458a_100020587367_100009813753 [0,2,0,0,0,0|1,0,1]=4 6852 B16R1.1125 CCC(C)C(=O)CC(=O)c1cccc(c1)Br 1458a_100011192722_100000212080 [0,2,0,0,0,0|1,0,0]=3 6853 B16R1.1125 CCC(C)C(=O)CC(=O)c1cccc(c1)C 1458a_100011192722_100000739480 [0,2,0,0,0,0|1,0,0]=3 6854 B16R1.1125 CCC(C)C(=O)CC(=O)c1cccc(c1)Cl 1458a_100011192722_100000211444 [0,2,0,0,0,0|1,0,0]=3 6855 B16R1.1125 CCC(C)C(=O)CC(=O)c1cccc(c1)F 1458a_100011192722_100000215616 [0,2,0,0,0,0|1,0,0]=3 6856 B16R1.1125 CCC(C)C(=O)CC(=O)c1cccc(c1)O 1458a_100011192722_100009813753 [0,2,0,0,0,0|1,0,0]=3 6857 B16R1.1125 CCC(C)C(=O)CC(=O)c1ccnc(c1)Cl 1458a_100011192722_100009817076 [0,2,0,0,0,0|2,0,0]=4 6858 B16R1.1125 CCC(O)C(=O)CC(=O)c1cccc(c1)Br 1458a_100011196387_100000212080 [0,2,0,0,0,0|1,0,0]=3 6859 B16R1.1125 CCC(O)C(=O)CC(=O)c1cccc(c1)C 1458a_100011196387_100000739480 [0,2,0,0,0,0|1,0,0]=3 6860 B16R1.1125 CCC(O)C(=O)CC(=O)c1cccc(c1)Cl 1458a_100011196387_100000211444 [0,2,0,0,0,0|1,0,0]=3 6861 B16R1.1125 CCC(O)C(=O)CC(=O)c1cccc(c1)F 1458a_100011196387_100000215616 [0,2,0,0,0,0|1,0,0]=3 6862 B16R1.1125 CCC(O)C(=O)CC(=O)c1cccc(c1)O 1458a_100011196387_100009813753 [0,2,0,0,0,0|1,0,0]=3 6863 B16R1.1125 CCC(O)C(=O)CC(=O)c1ccnc(c1)Cl 1458a_100011196387_100009817076 [0,2,0,0,0,0|2,0,0]=4 6864 B16R1.1125 CCN(C)C(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100011894763 [0,2,0,0,0,0|1,0,0]=3 6865 B16R1.1125 CCN(C)C(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100011894763 [0,2,0,0,0,0|1,0,0]=3 6866 B16R1.1125 CCN(C)C(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100011894763 [0,2,0,0,0,0|1,0,0]=3 6867 B16R1.1125 CCN(C)C(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100011894763 [0,2,0,0,0,0|1,0,0]=3 6868 B16R1.1125 CCN(C)C(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100011894763 [0,2,0,0,0,0|1,0,0]=3 6869 B16R1.1125 CCN(C)C(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100011894763 [0,2,0,0,0,0|1,0,0]=3 6870 B16R1.1125 CNC(=O)C(=O)CC(=O)c1cccc(c1)Br 1458a_100011218921_100000212080 [0,2,0,0,0,0|2,0,0]=4 6871 B16R1.1125 CNC(=O)C(=O)CC(=O)c1cccc(c1)C 1458a_100011218921_100000739480 [0,2,0,0,0,0|2,0,0]=4 6872 B16R1.1125 CNC(=O)C(=O)CC(=O)c1cccc(c1)Cl 1458a_100011218921_100000211444 [0,2,0,0,0,0|2,0,0]=4 6873 B16R1.1125 CNC(=O)C(=O)CC(=O)c1cccc(c1)F 1458a_100011218921_100000215616 [0,2,0,0,0,0|2,0,0]=4 6874 B16R1.1125 CNC(=O)C(=O)CC(=O)c1cccc(c1)O 1458a_100011218921_100009813753 [0,2,0,0,0,0|2,0,0]=4 6875 B16R1.1125 COC(C)C(=O)CC(=O)c1cccc(c1)Br 1458a_100000743197_100000212080 [0,2,0,0,0,0|2,0,0]=4 6876 B16R1.1125 COC(C)C(=O)CC(=O)c1cccc(c1)C 1458a_100000743197_100000739480 [0,2,0,0,0,0|2,0,0]=4 6877 B16R1.1125 COC(C)C(=O)CC(=O)c1cccc(c1)Cl 1458a_100000743197_100000211444 [0,2,0,0,0,0|2,0,0]=4 6878 B16R1.1125 COC(C)C(=O)CC(=O)c1cccc(c1)F 1458a_100000743197_100000215616 [0,2,0,0,0,0|2,0,0]=4 6879 B16R1.1125 COC(C)C(=O)CC(=O)c1cccc(c1)O 1458a_100000743197_100009813753 [0,2,0,0,0,0|2,0,0]=4 6880 B16R1.1125 CON(C)C(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000764215 [0,2,0,0,0,0|2,0,0]=4 6881 B16R1.1125 CON(C)C(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000764215 [0,2,0,0,0,0|2,0,0]=4 6882 B16R1.1125 CON(C)C(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000764215 [0,2,0,0,0,0|2,0,0]=4 6883 B16R1.1125 CON(C)C(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000764215 [0,2,0,0,0,0|2,0,0]=4 6884 B16R1.1125 CON(C)C(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000764215 [0,2,0,0,0,0|2,0,0]=4 6885 B16R1.1125 CON(C)C(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000764215 [0,2,0,0,0,0|2,0,0]=4 6886 B16R1.1125 CSC(C)C(=O)CC(=O)c1cccc(c1)Br 1458a_100000149566_100000212080 [0,2,0,0,0,0|2,0,0]=4 6887 B16R1.1125 CSC(C)C(=O)CC(=O)c1cccc(c1)C 1458a_100000149566_100000739480 [0,2,0,0,0,0|2,0,0]=4 6888 B16R1.1125 CSC(C)C(=O)CC(=O)c1cccc(c1)Cl 1458a_100000149566_100000211444 [0,2,0,0,0,0|2,0,0]=4 6889 B16R1.1125 CSC(C)C(=O)CC(=O)c1cccc(c1)F 1458a_100000149566_100000215616 [0,2,0,0,0,0|2,0,0]=4 6890 B16R1.1125 CSC(C)C(=O)CC(=O)c1cccc(c1)O 1458a_100000149566_100009813753 [0,2,0,0,0,0|2,0,0]=4 6891 B16R1.1125 Cc1cccc(c1)C(=O)CC(=O)C(O)CO 1458a_100011215603_100000739480 [0,2,0,0,0,0|2,0,0]=4 6892 B16R1.1125 O=C(CC(=O)C(O)CO)c1cccc(c1)Br 1458a_100011215603_100000212080 [0,2,0,0,0,0|2,0,0]=4 6893 B16R1.1125 O=C(CC(=O)C(O)CO)c1cccc(c1)Cl 1458a_100011215603_100000211444 [0,2,0,0,0,0|2,0,0]=4 6894 B16R1.1125 O=C(CC(=O)C(O)CO)c1cccc(c1)F 1458a_100011215603_100000215616 [0,2,0,0,0,0|2,0,0]=4 6895 B16R1.1125 O=C(CC(=O)C(O)CO)c1cccc(c1)O 1458a_100011215603_100009813753 [0,2,0,0,0,0|2,0,0]=4 6896 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)Br 2230a_100000738899_100000188475 [0,2,0,0,0,0|2,0,0]=4 6897 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)Br 269982a_100000738899_100000188475 [0,2,0,0,0,0|2,0,0]=4 6898 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)Br 269982a_200000219647_100000204670 [0,2,0,0,0,0|2,0,0]=4 6899 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)Br 34a_100000738899_100000188475 [0,2,0,0,0,0|2,0,0]=4 6900 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)C 2230a_100000182157_100000188475 [0,2,0,0,0,0|2,0,0]=4 6901 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)C 2230a_200000219673_100000210202 [0,2,0,0,0,0|2,0,0]=4 6902 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)C 269982a_100000182157_100000188475 [0,2,0,0,0,0|2,0,0]=4 6903 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)C 269982a_200000219673_100000204670 [0,2,0,0,0,0|2,0,0]=4 6904 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)C 34a_100000182157_100000188475 [0,2,0,0,0,0|2,0,0]=4 6905 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)C 7a_100000182157_100000188475 [0,2,0,0,0,0|2,0,0]=4 6906 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)Cl 2230a_100000220043_100000210202 [0,2,0,0,0,0|2,0,0]=4 6907 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)Cl 269982a_100000220043_100000204670 [0,2,0,0,0,0|2,0,0]=4 6908 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)F 2230a_100000220069_100000210202 [0,2,0,0,0,0|2,0,0]=4 6909 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)F 269982a_100000220069_100000204670 [0,2,0,0,0,0|2,0,0]=4 6910 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)O 2230a_100000717746_100000188475 [0,2,0,0,0,0|2,0,0]=4 6911 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)O 269982a_100000717746_100000188475 [0,2,0,0,0,0|2,0,0]=4 6912 B16R1.1522 CCOC(=O)CN(CC)c1cccc(c1)O 34a_100000717746_100000188475 [0,2,0,0,0,0|2,0,0]=4 6913 B16R1.1522 CCOC(=O)CN(CF)c1cccc(c1)Br 269982a_200000219647_100015361967 [0,2,0,0,0,0|2,0,0]=4 6914 B16R1.1522 CCOC(=O)CN(CF)c1cccc(c1)C 269982a_200000219673_100015361967 [0,2,0,0,0,0|2,0,0]=4 6915 B16R1.1522 CCOC(=O)CN(CF)c1cccc(c1)Cl 269982a_100000220043_100015361967 [0,2,0,0,0,0|2,0,0]=4 6916 B16R1.1522 CCOC(=O)CN(CF)c1cccc(c1)F 269982a_100000220069_100015361967 [0,2,0,0,0,0|2,0,0]=4 6917 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000036128 [0,2,0,0,0,0|0,0,2]=4 6918 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000036128 [0,2,0,0,0,0|0,0,2]=4 6919 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000036128 [0,2,0,0,0,0|0,0,2]=4 6920 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000036128 [0,2,0,0,0,0|0,0,2]=4 6921 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000036128 [0,2,0,0,0,0|0,0,2]=4 6922 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000036128 [0,2,0,0,0,0|0,0,2]=4 6923 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000036128 [0,2,0,0,0,0|0,0,2]=4 6924 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1C)C 1458a_100000195421_100000036128 [0,2,0,0,0,0|0,0,2]=4 6925 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000036128 [0,2,0,0,0,0|0,0,2]=4 6926 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1C)F 1458a_100000240043_100000036128 [0,2,0,0,0,0|0,0,2]=4 6927 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1C)I 1458a_100000688012_100000036128 [0,2,0,0,0,0|0,0,2]=4 6928 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1C)O 1458a_100000687834_100000036128 [0,2,0,0,0,0|0,0,2]=4 6929 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000036128 [0,2,0,0,0,0|0,0,2]=4 6930 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000036128 [0,2,0,0,0,0|0,0,2]=4 6931 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000036128 [0,2,0,0,0,0|0,0,2]=4 6932 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000036128 [0,2,0,0,0,0|0,0,2]=4 6933 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000036128 [0,2,0,0,0,0|0,0,2]=4 6934 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000036128 [0,2,0,0,0,0|0,0,2]=4 6935 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000036128 [0,2,0,0,0,0|0,0,2]=4 6936 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1F)C 1458a_100000749327_100000036128 [0,2,0,0,0,0|0,0,2]=4 6937 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000036128 [0,2,0,0,0,0|0,0,2]=4 6938 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1F)F 1458a_100000198512_100000036128 [0,2,0,0,0,0|0,0,2]=4 6939 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1F)I 1458a_100000688014_100000036128 [0,2,0,0,0,0|0,0,2]=4 6940 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1F)O 1458a_100000037260_100000036128 [0,2,0,0,0,0|0,0,2]=4 6941 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000036128 [0,2,0,0,0,0|0,0,2]=4 6942 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1I)C 1458a_100000057929_100000036128 [0,2,0,0,0,0|0,0,2]=4 6943 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000036128 [0,2,0,0,0,0|0,0,2]=4 6944 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1I)F 1458a_100000748905_100000036128 [0,2,0,0,0,0|0,0,2]=4 6945 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1I)I 1458a_100000750460_100000036128 [0,2,0,0,0,0|0,0,2]=4 6946 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1I)O 1458a_200009995701_100000036128 [0,2,0,0,0,0|0,0,2]=4 6947 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000036128 [0,2,0,0,0,0|0,0,2]=4 6948 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1O)C 1458a_100000229998_100000036128 [0,2,0,0,0,0|0,0,2]=4 6949 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000036128 [0,2,0,0,0,0|0,0,2]=4 6950 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1O)F 1458a_100000742286_100000036128 [0,2,0,0,0,0|0,0,2]=4 6951 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1O)I 1458a_100000212111_100000036128 [0,2,0,0,0,0|0,0,2]=4 6952 B16R1.4212 C=COC(=O)CC(=O)c1cc(ccc1O)O 1458a_100000758025_100000036128 [0,2,0,0,0,0|0,0,2]=4 6953 B16R1.4212 CC#CC(=O)CC(=O)c1cc(ccc1Br)Cl 1458a_100000763181_100012361344 [0,2,0,0,0,0|1,0,1]=4 6954 B16R1.4212 CC#CC(=O)CC(=O)c1cc(ccc1C)C 1458a_100000763181_100000183774 [0,2,0,0,0,0|1,0,1]=4 6955 B16R1.4212 CC#CC(=O)CC(=O)c1cc(ccc1Cl)Cl 1458a_100000763181_100000183120 [0,2,0,0,0,0|1,0,1]=4 6956 B16R1.4212 CC#CC(=O)CC(=O)c1cc(ccc1Cl)F 1458a_100000763181_200010187420 [0,2,0,0,0,0|1,0,1]=4 6957 B16R1.4212 CC#CC(=O)CC(=O)c1cc(ccc1F)F 1458a_100000763181_100000211571 [0,2,0,0,0,0|1,0,1]=4 6958 B16R1.4212 CC#CC(=O)CC(=O)c1cc(ccc1O)Br 1458a_100000763181_200009828000 [0,2,0,0,0,0|1,0,1]=4 6959 B16R1.4212 CC#CC(=O)CC(=O)c1cc(ccc1O)Cl 1458a_100000763181_200009816716 [0,2,0,0,0,0|1,0,1]=4 6960 B16R1.4212 CC#CC(=O)CC(=O)c1cc(ccc1O)F 1458a_100000763181_100000047744 [0,2,0,0,0,0|1,0,1]=4 6961 B16R1.4212 CC#CC(=O)CC(=O)c1cc(ccc1O)O 1458a_100000763181_100009814097 [0,2,0,0,0,0|1,0,1]=4 6962 B16R1.4212 CC=CC(=O)CC(=O)c1cc(ccc1Br)Cl 1458a_100000210699_100012361344 [0,2,0,0,0,0|1,0,1]=4 6963 B16R1.4212 CC=CC(=O)CC(=O)c1cc(ccc1C)C 1458a_100000210699_100000183774 [0,2,0,0,0,0|1,0,1]=4 6964 B16R1.4212 CC=CC(=O)CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210699_100000183120 [0,2,0,0,0,0|1,0,1]=4 6965 B16R1.4212 CC=CC(=O)CC(=O)c1cc(ccc1Cl)F 1458a_100000210699_200010187420 [0,2,0,0,0,0|1,0,1]=4 6966 B16R1.4212 CC=CC(=O)CC(=O)c1cc(ccc1F)F 1458a_100000210699_100000211571 [0,2,0,0,0,0|1,0,1]=4 6967 B16R1.4212 CC=CC(=O)CC(=O)c1cc(ccc1O)Br 1458a_100000210699_200009828000 [0,2,0,0,0,0|1,0,1]=4 6968 B16R1.4212 CC=CC(=O)CC(=O)c1cc(ccc1O)Cl 1458a_100000210699_200009816716 [0,2,0,0,0,0|1,0,1]=4 6969 B16R1.4212 CC=CC(=O)CC(=O)c1cc(ccc1O)F 1458a_100000210699_100000047744 [0,2,0,0,0,0|1,0,1]=4 6970 B16R1.4212 CC=CC(=O)CC(=O)c1cc(ccc1O)O 1458a_100000210699_100009814097 [0,2,0,0,0,0|1,0,1]=4 6971 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000747444 [0,2,0,0,0,0|1,0,0]=3 6972 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000747444 [0,2,0,0,0,0|1,0,0]=3 6973 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1Br)Cl 1458a_100000211992_100012361344 [0,2,0,0,0,0|1,0,0]=3 6974 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000747444 [0,2,0,0,0,0|1,0,0]=3 6975 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000747444 [0,2,0,0,0,0|1,0,0]=3 6976 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000747444 [0,2,0,0,0,0|1,0,0]=3 6977 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000747444 [0,2,0,0,0,0|1,0,0]=3 6978 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000747444 [0,2,0,0,0,0|1,0,0]=3 6979 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1C)C 1458a_100000195421_100000747444 [0,2,0,0,0,0|1,0,0]=3 6980 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1C)C 1458a_100000211992_100000183774 [0,2,0,0,0,0|1,0,0]=3 6981 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000747444 [0,2,0,0,0,0|1,0,0]=3 6982 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1C)F 1458a_100000240043_100000747444 [0,2,0,0,0,0|1,0,0]=3 6983 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1C)I 1458a_100000688012_100000747444 [0,2,0,0,0,0|1,0,0]=3 6984 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1C)O 1458a_100000687834_100000747444 [0,2,0,0,0,0|1,0,0]=3 6985 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000747444 [0,2,0,0,0,0|1,0,0]=3 6986 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000747444 [0,2,0,0,0,0|1,0,0]=3 6987 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000747444 [0,2,0,0,0,0|1,0,0]=3 6988 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1Cl)Cl 1458a_100000211992_100000183120 [0,2,0,0,0,0|1,0,0]=3 6989 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1Cl)F 1458a_100000211992_200010187420 [0,2,0,0,0,0|1,0,0]=3 6990 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000747444 [0,2,0,0,0,0|1,0,0]=3 6991 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000747444 [0,2,0,0,0,0|1,0,0]=3 6992 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000747444 [0,2,0,0,0,0|1,0,0]=3 6993 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000747444 [0,2,0,0,0,0|1,0,0]=3 6994 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1F)C 1458a_100000749327_100000747444 [0,2,0,0,0,0|1,0,0]=3 6995 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000747444 [0,2,0,0,0,0|1,0,0]=3 6996 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1F)F 1458a_100000198512_100000747444 [0,2,0,0,0,0|1,0,0]=3 6997 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1F)F 1458a_100000211992_100000211571 [0,2,0,0,0,0|1,0,0]=3 6998 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1F)I 1458a_100000688014_100000747444 [0,2,0,0,0,0|1,0,0]=3 6999 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1F)O 1458a_100000037260_100000747444 [0,2,0,0,0,0|1,0,0]=3 7000 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000747444 [0,2,0,0,0,0|1,0,0]=3 7001 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1I)C 1458a_100000057929_100000747444 [0,2,0,0,0,0|1,0,0]=3 7002 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000747444 [0,2,0,0,0,0|1,0,0]=3 7003 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1I)F 1458a_100000748905_100000747444 [0,2,0,0,0,0|1,0,0]=3 7004 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1I)I 1458a_100000750460_100000747444 [0,2,0,0,0,0|1,0,0]=3 7005 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1I)O 1458a_200009995701_100000747444 [0,2,0,0,0,0|1,0,0]=3 7006 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1O)Br 1458a_100000211992_200009828000 [0,2,0,0,0,0|1,0,0]=3 7007 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000747444 [0,2,0,0,0,0|1,0,0]=3 7008 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1O)C 1458a_100000229998_100000747444 [0,2,0,0,0,0|1,0,0]=3 7009 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1O)Cl 1458a_100000211992_200009816716 [0,2,0,0,0,0|1,0,0]=3 7010 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000747444 [0,2,0,0,0,0|1,0,0]=3 7011 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1O)F 1458a_100000211992_100000047744 [0,2,0,0,0,0|1,0,0]=3 7012 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1O)F 1458a_100000742286_100000747444 [0,2,0,0,0,0|1,0,0]=3 7013 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1O)I 1458a_100000212111_100000747444 [0,2,0,0,0,0|1,0,0]=3 7014 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1O)O 1458a_100000211992_100009814097 [0,2,0,0,0,0|1,0,0]=3 7015 B16R1.4212 CCCC(=O)CC(=O)c1cc(ccc1O)O 1458a_100000758025_100000747444 [0,2,0,0,0,0|1,0,0]=3 7016 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000183381 [0,2,0,0,0,0|1,0,0]=3 7017 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000183381 [0,2,0,0,0,0|1,0,0]=3 7018 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000183381 [0,2,0,0,0,0|1,0,0]=3 7019 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000183381 [0,2,0,0,0,0|1,0,0]=3 7020 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000183381 [0,2,0,0,0,0|1,0,0]=3 7021 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000183381 [0,2,0,0,0,0|1,0,0]=3 7022 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000183381 [0,2,0,0,0,0|1,0,0]=3 7023 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1C)C 1458a_100000195421_100000183381 [0,2,0,0,0,0|1,0,0]=3 7024 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000183381 [0,2,0,0,0,0|1,0,0]=3 7025 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1C)F 1458a_100000240043_100000183381 [0,2,0,0,0,0|1,0,0]=3 7026 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1C)I 1458a_100000688012_100000183381 [0,2,0,0,0,0|1,0,0]=3 7027 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1C)O 1458a_100000687834_100000183381 [0,2,0,0,0,0|1,0,0]=3 7028 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000183381 [0,2,0,0,0,0|1,0,0]=3 7029 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000183381 [0,2,0,0,0,0|1,0,0]=3 7030 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000183381 [0,2,0,0,0,0|1,0,0]=3 7031 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000183381 [0,2,0,0,0,0|1,0,0]=3 7032 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000183381 [0,2,0,0,0,0|1,0,0]=3 7033 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000183381 [0,2,0,0,0,0|1,0,0]=3 7034 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000183381 [0,2,0,0,0,0|1,0,0]=3 7035 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1F)C 1458a_100000749327_100000183381 [0,2,0,0,0,0|1,0,0]=3 7036 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000183381 [0,2,0,0,0,0|1,0,0]=3 7037 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1F)F 1458a_100000198512_100000183381 [0,2,0,0,0,0|1,0,0]=3 7038 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1F)I 1458a_100000688014_100000183381 [0,2,0,0,0,0|1,0,0]=3 7039 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1F)O 1458a_100000037260_100000183381 [0,2,0,0,0,0|1,0,0]=3 7040 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000183381 [0,2,0,0,0,0|1,0,0]=3 7041 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1I)C 1458a_100000057929_100000183381 [0,2,0,0,0,0|1,0,0]=3 7042 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000183381 [0,2,0,0,0,0|1,0,0]=3 7043 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1I)F 1458a_100000748905_100000183381 [0,2,0,0,0,0|1,0,0]=3 7044 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1I)I 1458a_100000750460_100000183381 [0,2,0,0,0,0|1,0,0]=3 7045 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1I)O 1458a_200009995701_100000183381 [0,2,0,0,0,0|1,0,0]=3 7046 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000183381 [0,2,0,0,0,0|1,0,0]=3 7047 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1O)C 1458a_100000229998_100000183381 [0,2,0,0,0,0|1,0,0]=3 7048 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000183381 [0,2,0,0,0,0|1,0,0]=3 7049 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1O)F 1458a_100000742286_100000183381 [0,2,0,0,0,0|1,0,0]=3 7050 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1O)I 1458a_100000212111_100000183381 [0,2,0,0,0,0|1,0,0]=3 7051 B16R1.4212 CCNC(=O)CC(=O)c1cc(ccc1O)O 1458a_100000758025_100000183381 [0,2,0,0,0,0|1,0,0]=3 7052 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1Br)Br 271570a_100050291487_100011483371 [0,2,0,0,0,0|1,0,1]=4 7053 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1Br)C 271570a_100050291487_100012353751 [0,2,0,0,0,0|1,0,1]=4 7054 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1Br)Cl 271570a_100050291487_100012339723 [0,2,0,0,0,0|1,0,1]=4 7055 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1Br)F 271570a_100050291487_100011217576 [0,2,0,0,0,0|1,0,1]=4 7056 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1Br)N 271570a_100050291487_100000750459 [0,2,0,0,0,0|1,0,1]=4 7057 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1Br)O 271570a_100050291487_100012339312 [0,2,0,0,0,0|1,0,1]=4 7058 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1C)Br 271570a_100050291487_100011344865 [0,2,0,0,0,0|1,0,1]=4 7059 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1C)C 271570a_100050291487_100000210833 [0,2,0,0,0,0|1,0,1]=4 7060 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1C)Cl 271570a_100050291487_100011263213 [0,2,0,0,0,0|1,0,1]=4 7061 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1C)F 271570a_100050291487_100011218078 [0,2,0,0,0,0|1,0,1]=4 7062 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1C)N 271570a_100050291487_100000736455 [0,2,0,0,0,0|1,0,1]=4 7063 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1C)O 271570a_100050291487_100011380479 [0,2,0,0,0,0|1,0,1]=4 7064 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1Cl)Br 271570a_100050291487_100011772130 [0,2,0,0,0,0|1,0,1]=4 7065 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1Cl)C 271570a_100050291487_100012356289 [0,2,0,0,0,0|1,0,1]=4 7066 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1Cl)Cl 271570a_100050291487_100000707729 [0,2,0,0,0,0|1,0,1]=4 7067 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1Cl)F 271570a_100050291487_100011217299 [0,2,0,0,0,0|1,0,1]=4 7068 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1Cl)N 271570a_100050291487_100012360549 [0,2,0,0,0,0|1,0,1]=4 7069 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1Cl)O 271570a_100050291487_100000049588 [0,2,0,0,0,0|1,0,1]=4 7070 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1F)Br 271570a_100050291487_100011217312 [0,2,0,0,0,0|1,0,1]=4 7071 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1F)C 271570a_100050291487_100000736223 [0,2,0,0,0,0|1,0,1]=4 7072 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1F)Cl 271570a_100050291487_100011218116 [0,2,0,0,0,0|1,0,1]=4 7073 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1F)F 271570a_100050291487_100000750033 [0,2,0,0,0,0|1,0,1]=4 7074 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1F)N 271570a_100050291487_100000760356 [0,2,0,0,0,0|1,0,1]=4 7075 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1F)O 271570a_100050291487_100000693481 [0,2,0,0,0,0|1,0,1]=4 7076 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1N)Br 271570a_100050291487_100000187925 [0,2,0,0,0,0|1,0,1]=4 7077 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1N)C 271570a_100050291487_100000210942 [0,2,0,0,0,0|1,0,1]=4 7078 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1N)Cl 271570a_100050291487_100000761889 [0,2,0,0,0,0|1,0,1]=4 7079 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1N)F 271570a_100050291487_100000760547 [0,2,0,0,0,0|1,0,1]=4 7080 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1N)N 271570a_100050291487_100011534242 [0,2,0,0,0,0|1,0,1]=4 7081 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1N)O 271570a_100050291487_100012001276 [0,2,0,0,0,0|1,0,1]=4 7082 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1O)Br 271570a_100050291487_100012355227 [0,2,0,0,0,0|1,0,1]=4 7083 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1O)C 271570a_100050291487_100000765521 [0,2,0,0,0,0|1,0,1]=4 7084 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1O)Cl 271570a_100050291487_100011356953 [0,2,0,0,0,0|1,0,1]=4 7085 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1O)F 271570a_100050291487_100000211999 [0,2,0,0,0,0|1,0,1]=4 7086 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1O)N 271570a_100050291487_100011534360 [0,2,0,0,0,0|1,0,1]=4 7087 B16R1.4212 CCOC(=O)/C=C(\C)/c1cc(ccc1O)O 271570a_100050291487_100009813629 [0,2,0,0,0,0|1,0,1]=4 7088 B16R1.4212 CCOC(=O)CC(=O)C1=NC(=O)CC=C1Cl 1458a_100009855368_100000188475 [0,2,0,0,0,0|1,0,1]=4 7089 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000188475 [0,2,0,0,0,0|0,0,0]=2 7090 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000188475 [0,2,0,0,0,0|0,0,0]=2 7091 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000188475 [0,2,0,0,0,0|0,0,0]=2 7092 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000188475 [0,2,0,0,0,0|0,0,0]=2 7093 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000188475 [0,2,0,0,0,0|0,0,0]=2 7094 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000188475 [0,2,0,0,0,0|0,0,0]=2 7095 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000188475 [0,2,0,0,0,0|0,0,0]=2 7096 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1C)C 1458a_100000195421_100000188475 [0,2,0,0,0,0|0,0,0]=2 7097 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000188475 [0,2,0,0,0,0|0,0,0]=2 7098 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1C)F 1458a_100000240043_100000188475 [0,2,0,0,0,0|0,0,0]=2 7099 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1C)I 1458a_100000688012_100000188475 [0,2,0,0,0,0|0,0,0]=2 7100 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1C)O 1458a_100000687834_100000188475 [0,2,0,0,0,0|0,0,0]=2 7101 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000188475 [0,2,0,0,0,0|0,0,0]=2 7102 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000188475 [0,2,0,0,0,0|0,0,0]=2 7103 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000188475 [0,2,0,0,0,0|0,0,0]=2 7104 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000188475 [0,2,0,0,0,0|0,0,0]=2 7105 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000188475 [0,2,0,0,0,0|0,0,0]=2 7106 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000188475 [0,2,0,0,0,0|0,0,0]=2 7107 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000188475 [0,2,0,0,0,0|0,0,0]=2 7108 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1F)C 1458a_100000749327_100000188475 [0,2,0,0,0,0|0,0,0]=2 7109 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000188475 [0,2,0,0,0,0|0,0,0]=2 7110 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1F)F 1458a_100000198512_100000188475 [0,2,0,0,0,0|0,0,0]=2 7111 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1F)I 1458a_100000688014_100000188475 [0,2,0,0,0,0|0,0,0]=2 7112 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1F)O 1458a_100000037260_100000188475 [0,2,0,0,0,0|0,0,0]=2 7113 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000188475 [0,2,0,0,0,0|0,0,0]=2 7114 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1I)C 1458a_100000057929_100000188475 [0,2,0,0,0,0|0,0,0]=2 7115 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000188475 [0,2,0,0,0,0|0,0,0]=2 7116 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1I)F 1458a_100000748905_100000188475 [0,2,0,0,0,0|0,0,0]=2 7117 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1I)I 1458a_100000750460_100000188475 [0,2,0,0,0,0|0,0,0]=2 7118 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1I)O 1458a_200009995701_100000188475 [0,2,0,0,0,0|0,0,0]=2 7119 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000188475 [0,2,0,0,0,0|0,0,0]=2 7120 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1O)C 1458a_100000229998_100000188475 [0,2,0,0,0,0|0,0,0]=2 7121 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000188475 [0,2,0,0,0,0|0,0,0]=2 7122 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1O)F 1458a_100000742286_100000188475 [0,2,0,0,0,0|0,0,0]=2 7123 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1O)I 1458a_100000212111_100000188475 [0,2,0,0,0,0|0,0,0]=2 7124 B16R1.4212 CCOC(=O)CC(=O)c1cc(ccc1O)O 1458a_100000758025_100000188475 [0,2,0,0,0,0|0,0,0]=2 7125 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1Br)Cl 269982a_100020633006_100000188475 [0,2,0,0,0,0|2,0,0]=4 7126 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1Br)Cl 34a_100020633006_100000188475 [0,2,0,0,0,0|2,0,0]=4 7127 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1Br)F 2230a_100020633008_100000188475 [0,2,0,0,0,0|2,0,0]=4 7128 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1Br)F 269982a_100020633008_100000188475 [0,2,0,0,0,0|2,0,0]=4 7129 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1Br)F 34a_100020633008_100000188475 [0,2,0,0,0,0|2,0,0]=4 7130 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1C)Br 2230a_100020629602_100000188475 [0,2,0,0,0,0|2,0,0]=4 7131 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1C)Br 269982a_100020629602_100000188475 [0,2,0,0,0,0|2,0,0]=4 7132 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1C)Br 34a_100020629602_100000188475 [0,2,0,0,0,0|2,0,0]=4 7133 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1C)Cl 2230a_100000221440_100000188475 [0,2,0,0,0,0|2,0,0]=4 7134 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1C)Cl 269982a_100000221440_100000188475 [0,2,0,0,0,0|2,0,0]=4 7135 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1C)Cl 34a_100000221440_100000188475 [0,2,0,0,0,0|2,0,0]=4 7136 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1C)F 2230a_114849113390_100000188475 [0,2,0,0,0,0|2,0,0]=4 7137 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1C)F 269982a_114849113390_100000188475 [0,2,0,0,0,0|2,0,0]=4 7138 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1C)F 34a_114849113390_100000188475 [0,2,0,0,0,0|2,0,0]=4 7139 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1Cl)Br 269982a_100011772073_100000188475 [0,2,0,0,0,0|2,0,0]=4 7140 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1Cl)Br 34a_100011772073_100000188475 [0,2,0,0,0,0|2,0,0]=4 7141 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1Cl)Cl 269982a_100000742562_100000188475 [0,2,0,0,0,0|2,0,0]=4 7142 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1Cl)Cl 34a_100000742562_100000188475 [0,2,0,0,0,0|2,0,0]=4 7143 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1F)Br 2230a_100011314990_100000188475 [0,2,0,0,0,0|2,0,0]=4 7144 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1F)Br 269982a_100011314990_100000188475 [0,2,0,0,0,0|2,0,0]=4 7145 B16R1.4212 CCOC(=O)CN(C)c1cc(ccc1F)Br 34a_100011314990_100000188475 [0,2,0,0,0,0|2,0,0]=4 7146 B16R1.4212 COCC(=O)CC(=O)c1cc(ccc1Br)Cl 1458a_100000210968_100012361344 [0,2,0,0,0,0|2,0,0]=4 7147 B16R1.4212 COCC(=O)CC(=O)c1cc(ccc1C)C 1458a_100000210968_100000183774 [0,2,0,0,0,0|2,0,0]=4 7148 B16R1.4212 COCC(=O)CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210968_100000183120 [0,2,0,0,0,0|2,0,0]=4 7149 B16R1.4212 COCC(=O)CC(=O)c1cc(ccc1Cl)F 1458a_100000210968_200010187420 [0,2,0,0,0,0|2,0,0]=4 7150 B16R1.4212 COCC(=O)CC(=O)c1cc(ccc1F)F 1458a_100000210968_100000211571 [0,2,0,0,0,0|2,0,0]=4 7151 B16R1.4212 COCC(=O)CC(=O)c1cc(ccc1O)Br 1458a_100000210968_200009828000 [0,2,0,0,0,0|2,0,0]=4 7152 B16R1.4212 COCC(=O)CC(=O)c1cc(ccc1O)Cl 1458a_100000210968_200009816716 [0,2,0,0,0,0|2,0,0]=4 7153 B16R1.4212 COCC(=O)CC(=O)c1cc(ccc1O)F 1458a_100000210968_100000047744 [0,2,0,0,0,0|2,0,0]=4 7154 B16R1.4212 COCC(=O)CC(=O)c1cc(ccc1O)O 1458a_100000210968_100009814097 [0,2,0,0,0,0|2,0,0]=4 7155 B16R1.4212 CSCC(=O)CC(=O)c1cc(ccc1Br)Cl 1458a_100000184570_100012361344 [0,2,0,0,0,0|2,0,0]=4 7156 B16R1.4212 CSCC(=O)CC(=O)c1cc(ccc1C)C 1458a_100000184570_100000183774 [0,2,0,0,0,0|2,0,0]=4 7157 B16R1.4212 CSCC(=O)CC(=O)c1cc(ccc1Cl)Cl 1458a_100000184570_100000183120 [0,2,0,0,0,0|2,0,0]=4 7158 B16R1.4212 CSCC(=O)CC(=O)c1cc(ccc1Cl)F 1458a_100000184570_200010187420 [0,2,0,0,0,0|2,0,0]=4 7159 B16R1.4212 CSCC(=O)CC(=O)c1cc(ccc1F)F 1458a_100000184570_100000211571 [0,2,0,0,0,0|2,0,0]=4 7160 B16R1.4212 CSCC(=O)CC(=O)c1cc(ccc1O)Br 1458a_100000184570_200009828000 [0,2,0,0,0,0|2,0,0]=4 7161 B16R1.4212 CSCC(=O)CC(=O)c1cc(ccc1O)Cl 1458a_100000184570_200009816716 [0,2,0,0,0,0|2,0,0]=4 7162 B16R1.4212 CSCC(=O)CC(=O)c1cc(ccc1O)F 1458a_100000184570_100000047744 [0,2,0,0,0,0|2,0,0]=4 7163 B16R1.4212 CSCC(=O)CC(=O)c1cc(ccc1O)O 1458a_100000184570_100009814097 [0,2,0,0,0,0|2,0,0]=4 7164 B16R1.4212 Cc1ccc(c(c1)C(=O)CC(=O)CCO)C 1458a_100011216618_100000183774 [0,2,0,0,0,0|2,0,0]=4 7165 B16R1.4212 Cc1ccc(c(c1)C(=O)CC(=O)NCO)Br 1458a_100000689033_100000185155 [0,2,0,0,0,0|2,0,0]=4 7166 B16R1.4212 Cc1ccc(c(c1)C(=O)CC(=O)NCO)C 1458a_100000195421_100000185155 [0,2,0,0,0,0|2,0,0]=4 7167 B16R1.4212 Cc1ccc(c(c1)C(=O)CC(=O)NCO)Cl 1458a_100011290873_100000185155 [0,2,0,0,0,0|2,0,0]=4 7168 B16R1.4212 Cc1ccc(c(c1)C(=O)CC(=O)NCO)F 1458a_100000749327_100000185155 [0,2,0,0,0,0|2,0,0]=4 7169 B16R1.4212 Cc1ccc(c(c1)C(=O)CC(=O)NCO)I 1458a_100000057929_100000185155 [0,2,0,0,0,0|2,0,0]=4 7170 B16R1.4212 Cc1ccc(c(c1)C(=O)CC(=O)NCO)O 1458a_100000229998_100000185155 [0,2,0,0,0,0|2,0,0]=4 7171 B16R1.4212 Cc1ccc(cc1C(=O)CC(=O)NCO)Br 1458a_100000759961_100000185155 [0,2,0,0,0,0|2,0,0]=4 7172 B16R1.4212 Cc1ccc(cc1C(=O)CC(=O)NCO)Cl 1458a_100000692595_100000185155 [0,2,0,0,0,0|2,0,0]=4 7173 B16R1.4212 Cc1ccc(cc1C(=O)CC(=O)NCO)F 1458a_100000240043_100000185155 [0,2,0,0,0,0|2,0,0]=4 7174 B16R1.4212 Cc1ccc(cc1C(=O)CC(=O)NCO)I 1458a_100000688012_100000185155 [0,2,0,0,0,0|2,0,0]=4 7175 B16R1.4212 Cc1ccc(cc1C(=O)CC(=O)NCO)O 1458a_100000687834_100000185155 [0,2,0,0,0,0|2,0,0]=4 7176 B16R1.4212 O=C(CC(=O)c1cc(ccc1Br)Br)NCO 1458a_100000690610_100000185155 [0,2,0,0,0,0|2,0,0]=4 7177 B16R1.4212 O=C(CC(=O)c1cc(ccc1Br)Cl)NCO 1458a_100000736951_100000185155 [0,2,0,0,0,0|2,0,0]=4 7178 B16R1.4212 O=C(CC(=O)c1cc(ccc1Br)F)NCO 1458a_100000212315_100000185155 [0,2,0,0,0,0|2,0,0]=4 7179 B16R1.4212 O=C(CC(=O)c1cc(ccc1Br)I)NCO 1458a_100000698340_100000185155 [0,2,0,0,0,0|2,0,0]=4 7180 B16R1.4212 O=C(CC(=O)c1cc(ccc1Br)O)NCO 1458a_100012352043_100000185155 [0,2,0,0,0,0|2,0,0]=4 7181 B16R1.4212 O=C(CC(=O)c1cc(ccc1Cl)Br)NCO 1458a_100000211212_100000185155 [0,2,0,0,0,0|2,0,0]=4 7182 B16R1.4212 O=C(CC(=O)c1cc(ccc1Cl)Cl)NCO 1458a_100000210642_100000185155 [0,2,0,0,0,0|2,0,0]=4 7183 B16R1.4212 O=C(CC(=O)c1cc(ccc1Cl)F)NCO 1458a_100011219680_100000185155 [0,2,0,0,0,0|2,0,0]=4 7184 B16R1.4212 O=C(CC(=O)c1cc(ccc1Cl)I)NCO 1458a_100000688013_100000185155 [0,2,0,0,0,0|2,0,0]=4 7185 B16R1.4212 O=C(CC(=O)c1cc(ccc1Cl)O)NCO 1458a_100000719527_100000185155 [0,2,0,0,0,0|2,0,0]=4 7186 B16R1.4212 O=C(CC(=O)c1cc(ccc1F)Br)NCO 1458a_100000212322_100000185155 [0,2,0,0,0,0|2,0,0]=4 7187 B16R1.4212 O=C(CC(=O)c1cc(ccc1F)Cl)NCO 1458a_100000214954_100000185155 [0,2,0,0,0,0|2,0,0]=4 7188 B16R1.4212 O=C(CC(=O)c1cc(ccc1F)F)NCO 1458a_100000198512_100000185155 [0,2,0,0,0,0|2,0,0]=4 7189 B16R1.4212 O=C(CC(=O)c1cc(ccc1F)I)NCO 1458a_100000688014_100000185155 [0,2,0,0,0,0|2,0,0]=4 7190 B16R1.4212 O=C(CC(=O)c1cc(ccc1F)O)NCO 1458a_100000037260_100000185155 [0,2,0,0,0,0|2,0,0]=4 7191 B16R1.4212 O=C(CC(=O)c1cc(ccc1I)Br)NCO 1458a_100000183945_100000185155 [0,2,0,0,0,0|2,0,0]=4 7192 B16R1.4212 O=C(CC(=O)c1cc(ccc1I)Cl)NCO 1458a_100000739379_100000185155 [0,2,0,0,0,0|2,0,0]=4 7193 B16R1.4212 O=C(CC(=O)c1cc(ccc1I)F)NCO 1458a_100000748905_100000185155 [0,2,0,0,0,0|2,0,0]=4 7194 B16R1.4212 O=C(CC(=O)c1cc(ccc1I)I)NCO 1458a_100000750460_100000185155 [0,2,0,0,0,0|2,0,0]=4 7195 B16R1.4212 O=C(CC(=O)c1cc(ccc1I)O)NCO 1458a_200009995701_100000185155 [0,2,0,0,0,0|2,0,0]=4 7196 B16R1.4212 O=C(CC(=O)c1cc(ccc1O)Br)NCO 1458a_100000212140_100000185155 [0,2,0,0,0,0|2,0,0]=4 7197 B16R1.4212 O=C(CC(=O)c1cc(ccc1O)Cl)NCO 1458a_100000212143_100000185155 [0,2,0,0,0,0|2,0,0]=4 7198 B16R1.4212 O=C(CC(=O)c1cc(ccc1O)F)NCO 1458a_100000742286_100000185155 [0,2,0,0,0,0|2,0,0]=4 7199 B16R1.4212 O=C(CC(=O)c1cc(ccc1O)I)NCO 1458a_100000212111_100000185155 [0,2,0,0,0,0|2,0,0]=4 7200 B16R1.4212 O=C(CC(=O)c1cc(ccc1O)O)NCO 1458a_100000758025_100000185155 [0,2,0,0,0,0|2,0,0]=4 7201 B16R1.4212 O=C(CCO)CC(=O)c1cc(ccc1Br)Cl 1458a_100011216618_100012361344 [0,2,0,0,0,0|2,0,0]=4 7202 B16R1.4212 O=C(CCO)CC(=O)c1cc(ccc1Cl)Cl 1458a_100011216618_100000183120 [0,2,0,0,0,0|2,0,0]=4 7203 B16R1.4212 O=C(CCO)CC(=O)c1cc(ccc1Cl)F 1458a_100011216618_200010187420 [0,2,0,0,0,0|2,0,0]=4 7204 B16R1.4212 O=C(CCO)CC(=O)c1cc(ccc1F)F 1458a_100011216618_100000211571 [0,2,0,0,0,0|2,0,0]=4 7205 B16R1.4212 O=C(CCO)CC(=O)c1cc(ccc1O)Br 1458a_100011216618_200009828000 [0,2,0,0,0,0|2,0,0]=4 7206 B16R1.4212 O=C(CCO)CC(=O)c1cc(ccc1O)Cl 1458a_100011216618_200009816716 [0,2,0,0,0,0|2,0,0]=4 7207 B16R1.4212 O=C(CCO)CC(=O)c1cc(ccc1O)F 1458a_100011216618_100000047744 [0,2,0,0,0,0|2,0,0]=4 7208 B16R1.4212 O=C(CCO)CC(=O)c1cc(ccc1O)O 1458a_100011216618_100009814097 [0,2,0,0,0,0|2,0,0]=4 7209 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000036128 [0,2,0,0,0,0|0,0,2]=4 7210 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000036128 [0,2,0,0,0,0|0,0,2]=4 7211 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000036128 [0,2,0,0,0,0|0,0,2]=4 7212 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000036128 [0,2,0,0,0,0|0,0,2]=4 7213 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000036128 [0,2,0,0,0,0|0,0,2]=4 7214 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000036128 [0,2,0,0,0,0|0,0,2]=4 7215 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000036128 [0,2,0,0,0,0|0,0,2]=4 7216 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000036128 [0,2,0,0,0,0|0,0,2]=4 7217 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000036128 [0,2,0,0,0,0|0,0,2]=4 7218 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000036128 [0,2,0,0,0,0|0,0,2]=4 7219 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000036128 [0,2,0,0,0,0|0,0,2]=4 7220 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000036128 [0,2,0,0,0,0|0,0,2]=4 7221 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000036128 [0,2,0,0,0,0|0,0,2]=4 7222 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000036128 [0,2,0,0,0,0|0,0,2]=4 7223 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000036128 [0,2,0,0,0,0|0,0,2]=4 7224 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000036128 [0,2,0,0,0,0|0,0,2]=4 7225 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000036128 [0,2,0,0,0,0|0,0,2]=4 7226 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000036128 [0,2,0,0,0,0|0,0,2]=4 7227 B16R1.4216 C=COC(=O)CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000036128 [0,2,0,0,0,0|0,0,2]=4 7228 B16R1.4216 CC#CC(=O)CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000763181_200012340517 [0,2,0,0,0,0|1,0,1]=4 7229 B16R1.4216 CC#CC(=O)CC(=O)c1cc(cc(c1)F)F 1458a_100000763181_100011216790 [0,2,0,0,0,0|1,0,1]=4 7230 B16R1.4216 CC=CC(=O)CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210699_200012340517 [0,2,0,0,0,0|1,0,1]=4 7231 B16R1.4216 CC=CC(=O)CC(=O)c1cc(cc(c1)F)F 1458a_100000210699_100011216790 [0,2,0,0,0,0|1,0,1]=4 7232 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000747444 [0,2,0,0,0,0|1,0,0]=3 7233 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000747444 [0,2,0,0,0,0|1,0,0]=3 7234 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000747444 [0,2,0,0,0,0|1,0,0]=3 7235 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000747444 [0,2,0,0,0,0|1,0,0]=3 7236 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000747444 [0,2,0,0,0,0|1,0,0]=3 7237 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000747444 [0,2,0,0,0,0|1,0,0]=3 7238 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000747444 [0,2,0,0,0,0|1,0,0]=3 7239 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000747444 [0,2,0,0,0,0|1,0,0]=3 7240 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000211992_200012340517 [0,2,0,0,0,0|1,0,0]=3 7241 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000747444 [0,2,0,0,0,0|1,0,0]=3 7242 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000747444 [0,2,0,0,0,0|1,0,0]=3 7243 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000747444 [0,2,0,0,0,0|1,0,0]=3 7244 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000747444 [0,2,0,0,0,0|1,0,0]=3 7245 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)F)F 1458a_100000211992_100011216790 [0,2,0,0,0,0|1,0,0]=3 7246 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000747444 [0,2,0,0,0,0|1,0,0]=3 7247 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000747444 [0,2,0,0,0,0|1,0,0]=3 7248 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000747444 [0,2,0,0,0,0|1,0,0]=3 7249 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000747444 [0,2,0,0,0,0|1,0,0]=3 7250 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000747444 [0,2,0,0,0,0|1,0,0]=3 7251 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000747444 [0,2,0,0,0,0|1,0,0]=3 7252 B16R1.4216 CCCC(=O)CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000747444 [0,2,0,0,0,0|1,0,0]=3 7253 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000183381 [0,2,0,0,0,0|1,0,0]=3 7254 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000183381 [0,2,0,0,0,0|1,0,0]=3 7255 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000183381 [0,2,0,0,0,0|1,0,0]=3 7256 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000183381 [0,2,0,0,0,0|1,0,0]=3 7257 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000183381 [0,2,0,0,0,0|1,0,0]=3 7258 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000183381 [0,2,0,0,0,0|1,0,0]=3 7259 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000183381 [0,2,0,0,0,0|1,0,0]=3 7260 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000183381 [0,2,0,0,0,0|1,0,0]=3 7261 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000183381 [0,2,0,0,0,0|1,0,0]=3 7262 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000183381 [0,2,0,0,0,0|1,0,0]=3 7263 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000183381 [0,2,0,0,0,0|1,0,0]=3 7264 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000183381 [0,2,0,0,0,0|1,0,0]=3 7265 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000183381 [0,2,0,0,0,0|1,0,0]=3 7266 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000183381 [0,2,0,0,0,0|1,0,0]=3 7267 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000183381 [0,2,0,0,0,0|1,0,0]=3 7268 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000183381 [0,2,0,0,0,0|1,0,0]=3 7269 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000183381 [0,2,0,0,0,0|1,0,0]=3 7270 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000183381 [0,2,0,0,0,0|1,0,0]=3 7271 B16R1.4216 CCNC(=O)CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000183381 [0,2,0,0,0,0|1,0,0]=3 7272 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)Br)Br 271570a_100050291487_100009814770 [0,2,0,0,0,0|1,0,1]=4 7273 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)Br)Cl 271570a_100050291487_100009814755 [0,2,0,0,0,0|1,0,1]=4 7274 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)Br)F 271570a_100050291487_100009814764 [0,2,0,0,0,0|1,0,1]=4 7275 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)Br)N 271570a_100050291487_100009814763 [0,2,0,0,0,0|1,0,1]=4 7276 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)Br)O 271570a_100050291487_100010068917 [0,2,0,0,0,0|1,0,1]=4 7277 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)C)C 271570a_100050291487_100011215608 [0,2,0,0,0,0|1,0,1]=4 7278 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)Cl)C 271570a_100050291487_100010172791 [0,2,0,0,0,0|1,0,1]=4 7279 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)Cl)Cl 271570a_100050291487_100000747138 [0,2,0,0,0,0|1,0,1]=4 7280 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)Cl)F 271570a_100050291487_100013859453 [0,2,0,0,0,0|1,0,1]=4 7281 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)Cl)N 271570a_100050291487_100010147676 [0,2,0,0,0,0|1,0,1]=4 7282 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)Cl)O 271570a_100050291487_100010068924 [0,2,0,0,0,0|1,0,1]=4 7283 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)F)C 271570a_100050291487_100011356977 [0,2,0,0,0,0|1,0,1]=4 7284 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)F)F 271570a_100050291487_100011218498 [0,2,0,0,0,0|1,0,1]=4 7285 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)F)N 271570a_100050291487_100011356972 [0,2,0,0,0,0|1,0,1]=4 7286 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)F)O 271570a_100050291487_100000717995 [0,2,0,0,0,0|1,0,1]=4 7287 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)N)C 271570a_100050291487_100000695972 [0,2,0,0,0,0|1,0,1]=4 7288 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)N)N 271570a_100050291487_100011999608 [0,2,0,0,0,0|1,0,1]=4 7289 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)O)C 271570a_100050291487_100011999630 [0,2,0,0,0,0|1,0,1]=4 7290 B16R1.4216 CCOC(=O)/C=C(\C)/c1cc(cc(c1)O)O 271570a_100050291487_100009868816 [0,2,0,0,0,0|1,0,1]=4 7291 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000188475 [0,2,0,0,0,0|0,0,0]=2 7292 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000188475 [0,2,0,0,0,0|0,0,0]=2 7293 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000188475 [0,2,0,0,0,0|0,0,0]=2 7294 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000188475 [0,2,0,0,0,0|0,0,0]=2 7295 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000188475 [0,2,0,0,0,0|0,0,0]=2 7296 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000188475 [0,2,0,0,0,0|0,0,0]=2 7297 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000188475 [0,2,0,0,0,0|0,0,0]=2 7298 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000188475 [0,2,0,0,0,0|0,0,0]=2 7299 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000188475 [0,2,0,0,0,0|0,0,0]=2 7300 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000188475 [0,2,0,0,0,0|0,0,0]=2 7301 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000188475 [0,2,0,0,0,0|0,0,0]=2 7302 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000188475 [0,2,0,0,0,0|0,0,0]=2 7303 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000188475 [0,2,0,0,0,0|0,0,0]=2 7304 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000188475 [0,2,0,0,0,0|0,0,0]=2 7305 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000188475 [0,2,0,0,0,0|0,0,0]=2 7306 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000188475 [0,2,0,0,0,0|0,0,0]=2 7307 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000188475 [0,2,0,0,0,0|0,0,0]=2 7308 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000188475 [0,2,0,0,0,0|0,0,0]=2 7309 B16R1.4216 CCOC(=O)CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000188475 [0,2,0,0,0,0|0,0,0]=2 7310 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)Br)Br 27a_100000220588_100009814770 [0,2,0,0,0,0|2,0,0]=4 7311 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)Br)F 269982a_106741647397_100000188475 [0,2,0,0,0,0|2,0,0]=4 7312 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)Br)F 34a_106741647397_100000188475 [0,2,0,0,0,0|2,0,0]=4 7313 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)Br)F 7a_106741647397_100000188475 [0,2,0,0,0,0|2,0,0]=4 7314 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)Cl)Cl 2230a_100000220458_100000188475 [0,2,0,0,0,0|2,0,0]=4 7315 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)Cl)Cl 269982a_100000220458_100000188475 [0,2,0,0,0,0|2,0,0]=4 7316 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)Cl)Cl 34a_100000220458_100000188475 [0,2,0,0,0,0|2,0,0]=4 7317 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)Cl)Cl 7a_100000220458_100000188475 [0,2,0,0,0,0|2,0,0]=4 7318 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)F)C 2230a_103496528823_100000188475 [0,2,0,0,0,0|2,0,0]=4 7319 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)F)C 269982a_103496528823_100000188475 [0,2,0,0,0,0|2,0,0]=4 7320 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)F)C 34a_103496528823_100000188475 [0,2,0,0,0,0|2,0,0]=4 7321 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)F)C 7a_103496528823_100000188475 [0,2,0,0,0,0|2,0,0]=4 7322 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)F)F 2230a_100011233154_100000188475 [0,2,0,0,0,0|2,0,0]=4 7323 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)F)F 269982a_100011233154_100000188475 [0,2,0,0,0,0|2,0,0]=4 7324 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)F)F 34a_100011233154_100000188475 [0,2,0,0,0,0|2,0,0]=4 7325 B16R1.4216 CCOC(=O)CN(C)c1cc(cc(c1)F)F 7a_100011233154_100000188475 [0,2,0,0,0,0|2,0,0]=4 7326 B16R1.4216 COCC(=O)CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210968_200012340517 [0,2,0,0,0,0|2,0,0]=4 7327 B16R1.4216 COCC(=O)CC(=O)c1cc(cc(c1)F)F 1458a_100000210968_100011216790 [0,2,0,0,0,0|2,0,0]=4 7328 B16R1.4216 CSCC(=O)CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000184570_200012340517 [0,2,0,0,0,0|2,0,0]=4 7329 B16R1.4216 CSCC(=O)CC(=O)c1cc(cc(c1)F)F 1458a_100000184570_100011216790 [0,2,0,0,0,0|2,0,0]=4 7330 B16R1.4216 Cc1cc(cc(c1)C(=O)CC(=O)NCO)Br 1458a_100000760426_100000185155 [0,2,0,0,0,0|2,0,0]=4 7331 B16R1.4216 Cc1cc(cc(c1)C(=O)CC(=O)NCO)C 1458a_100000210874_100000185155 [0,2,0,0,0,0|2,0,0]=4 7332 B16R1.4216 Cc1cc(cc(c1)C(=O)CC(=O)NCO)Cl 1458a_100000684526_100000185155 [0,2,0,0,0,0|2,0,0]=4 7333 B16R1.4216 Cc1cc(cc(c1)C(=O)CC(=O)NCO)F 1458a_100000763163_100000185155 [0,2,0,0,0,0|2,0,0]=4 7334 B16R1.4216 Cc1cc(cc(c1)C(=O)CC(=O)NCO)I 1458a_100000729426_100000185155 [0,2,0,0,0,0|2,0,0]=4 7335 B16R1.4216 Cc1cc(cc(c1)C(=O)CC(=O)NCO)O 1458a_100000094094_100000185155 [0,2,0,0,0,0|2,0,0]=4 7336 B16R1.4216 O=C(CC(=O)c1cc(cc(c1)Br)Br)NCO 1458a_100000687083_100000185155 [0,2,0,0,0,0|2,0,0]=4 7337 B16R1.4216 O=C(CC(=O)c1cc(cc(c1)Br)Cl)NCO 1458a_100000687899_100000185155 [0,2,0,0,0,0|2,0,0]=4 7338 B16R1.4216 O=C(CC(=O)c1cc(cc(c1)Br)F)NCO 1458a_100000739618_100000185155 [0,2,0,0,0,0|2,0,0]=4 7339 B16R1.4216 O=C(CC(=O)c1cc(cc(c1)Br)O)NCO 1458a_100011934545_100000185155 [0,2,0,0,0,0|2,0,0]=4 7340 B16R1.4216 O=C(CC(=O)c1cc(cc(c1)Cl)Cl)NCO 1458a_100000210701_100000185155 [0,2,0,0,0,0|2,0,0]=4 7341 B16R1.4216 O=C(CC(=O)c1cc(cc(c1)Cl)F)NCO 1458a_100000685768_100000185155 [0,2,0,0,0,0|2,0,0]=4 7342 B16R1.4216 O=C(CC(=O)c1cc(cc(c1)Cl)O)NCO 1458a_100011997059_100000185155 [0,2,0,0,0,0|2,0,0]=4 7343 B16R1.4216 O=C(CC(=O)c1cc(cc(c1)F)F)NCO 1458a_100000211655_100000185155 [0,2,0,0,0,0|2,0,0]=4 7344 B16R1.4216 O=C(CC(=O)c1cc(cc(c1)F)O)NCO 1458a_100012017291_100000185155 [0,2,0,0,0,0|2,0,0]=4 7345 B16R1.4216 O=C(CC(=O)c1cc(cc(c1)I)Br)NCO 1458a_100000689235_100000185155 [0,2,0,0,0,0|2,0,0]=4 7346 B16R1.4216 O=C(CC(=O)c1cc(cc(c1)I)Cl)NCO 1458a_100012047205_100000185155 [0,2,0,0,0,0|2,0,0]=4 7347 B16R1.4216 O=C(CC(=O)c1cc(cc(c1)I)F)NCO 1458a_100012047268_100000185155 [0,2,0,0,0,0|2,0,0]=4 7348 B16R1.4216 O=C(CC(=O)c1cc(cc(c1)I)I)NCO 1458a_100011204819_100000185155 [0,2,0,0,0,0|2,0,0]=4 7349 B16R1.4216 O=C(CCO)CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100011216618_200012340517 [0,2,0,0,0,0|2,0,0]=4 7350 B16R1.4216 O=C(CCO)CC(=O)c1cc(cc(c1)F)F 1458a_100011216618_100011216790 [0,2,0,0,0,0|2,0,0]=4 7351 B16R1.4226 C#Cc1cccc(c1)C(=O)CC(=O)CCC 1458a_100011997762_100000747444 [0,2,0,0,0,0|1,0,0]=3 7352 B16R1.4226 C#Cc1cccc(c1)C(=O)CC(=O)NCC 1458a_100011997762_100000183381 [0,2,0,0,0,0|1,0,0]=3 7353 B16R1.4226 C#Cc1cccc(c1)C(=O)CC(=O)NCO 1458a_100011997762_100000185155 [0,2,0,0,0,0|2,0,0]=4 7354 B16R1.4226 C#Cc1cccc(c1)C(=O)CC(=O)OC=C 1458a_100011997762_100000036128 [0,2,0,0,0,0|0,0,2]=4 7355 B16R1.4226 C#Cc1cccc(c1)C(=O)CC(=O)OCC 1458a_100011997762_100000188475 [0,2,0,0,0,0|0,0,0]=2 7356 B16R1.4226 C=COC(=O)CC(=O)c1cccc(c1)C#N 1458a_100000183950_100000036128 [0,2,0,0,0,0|0,0,2]=4 7357 B16R1.4226 C=COC(=O)CC(=O)c1cccc(c1)C=C 1458a_100011215009_100000036128 [0,2,0,0,0,0|0,0,2]=4 7358 B16R1.4226 C=COC(=O)CC(=O)c1cccc(c1)CC 1458a_100011933908_100000036128 [0,2,0,0,0,0|0,0,2]=4 7359 B16R1.4226 C=COC(=O)CC(=O)c1cccc(c1)CO 1458a_100000746274_100000036128 [0,2,0,0,0,0|0,0,2]=4 7360 B16R1.4226 C=COC(=O)CC(=O)c1cccc(c1)OC 1458a_100000188888_100000036128 [0,2,0,0,0,0|0,0,2]=4 7361 B16R1.4226 C=COC(=O)CC(=O)c1cccc(c1)SC 1458a_100011217804_100000036128 [0,2,0,0,0,0|0,0,2]=4 7362 B16R1.4226 C=Cc1cccc(c1)C(=CC(=O)OCC)C 271570a_100011290941_100038093329 [0,2,0,0,0,0|1,0,1]=4 7363 B16R1.4226 C=Cc1cccc(c1)C(=O)CC(=O)CCC 1458a_100011215009_100000747444 [0,2,0,0,0,0|1,0,0]=3 7364 B16R1.4226 C=Cc1cccc(c1)C(=O)CC(=O)NCC 1458a_100011215009_100000183381 [0,2,0,0,0,0|1,0,0]=3 7365 B16R1.4226 C=Cc1cccc(c1)C(=O)CC(=O)NCO 1458a_100011215009_100000185155 [0,2,0,0,0,0|2,0,0]=4 7366 B16R1.4226 C=Cc1cccc(c1)C(=O)CC(=O)OCC 1458a_100011215009_100000188475 [0,2,0,0,0,0|0,0,0]=2 7367 B16R1.4226 C=Cc1cccc(c1)C(=O)CC(=O)OCC 271570a_100011290941_100011248971 [0,2,0,0,0,0|0,0,0]=2 7368 B16R1.4226 C=Cc1cccc(c1)C(N)CC(=O)OCC 271570a_100011290941_100020603595 [0,2,0,0,0,0|1,0,1]=4 7369 B16R1.4226 C=Cc1cncc(c1)C(=O)CC(=O)OCC 271570a_100011290941_100012351078 [0,2,0,0,0,0|1,0,0]=3 7370 B16R1.4226 CC#CC(=O)CC(=O)c1cccc(c1)C#N 1458a_100000763181_100000751541 [0,2,0,0,0,0|1,0,1]=4 7371 B16R1.4226 CC#CC(=O)CC(=O)c1cccc(c1)OC 1458a_100000763181_100000211451 [0,2,0,0,0,0|1,0,1]=4 7372 B16R1.4226 CC=CC(=O)CC(=O)c1cccc(c1)C#N 1458a_100000210699_100000751541 [0,2,0,0,0,0|1,0,1]=4 7373 B16R1.4226 CC=CC(=O)CC(=O)c1cccc(c1)OC 1458a_100000210699_100000211451 [0,2,0,0,0,0|1,0,1]=4 7374 B16R1.4226 CCCC(=O)CC(=O)c1cccc(c1)C#N 1458a_100000183950_100000747444 [0,2,0,0,0,0|1,0,0]=3 7375 B16R1.4226 CCCC(=O)CC(=O)c1cccc(c1)C#N 1458a_100000211992_100000751541 [0,2,0,0,0,0|1,0,0]=3 7376 B16R1.4226 CCCC(=O)CC(=O)c1cccc(c1)CC 1458a_100011933908_100000747444 [0,2,0,0,0,0|1,0,0]=3 7377 B16R1.4226 CCCC(=O)CC(=O)c1cccc(c1)CO 1458a_100000746274_100000747444 [0,2,0,0,0,0|1,0,0]=3 7378 B16R1.4226 CCCC(=O)CC(=O)c1cccc(c1)OC 1458a_100000188888_100000747444 [0,2,0,0,0,0|1,0,0]=3 7379 B16R1.4226 CCCC(=O)CC(=O)c1cccc(c1)OC 1458a_100000211992_100000211451 [0,2,0,0,0,0|1,0,0]=3 7380 B16R1.4226 CCCC(=O)CC(=O)c1cccc(c1)SC 1458a_100011217804_100000747444 [0,2,0,0,0,0|1,0,0]=3 7381 B16R1.4226 CCNC(=O)CC(=O)c1cccc(c1)C#N 1458a_100000183950_100000183381 [0,2,0,0,0,0|1,0,0]=3 7382 B16R1.4226 CCNC(=O)CC(=O)c1cccc(c1)CC 1458a_100011933908_100000183381 [0,2,0,0,0,0|1,0,0]=3 7383 B16R1.4226 CCNC(=O)CC(=O)c1cccc(c1)CO 1458a_100000746274_100000183381 [0,2,0,0,0,0|1,0,0]=3 7384 B16R1.4226 CCNC(=O)CC(=O)c1cccc(c1)OC 1458a_100000188888_100000183381 [0,2,0,0,0,0|1,0,0]=3 7385 B16R1.4226 CCNC(=O)CC(=O)c1cccc(c1)SC 1458a_100011217804_100000183381 [0,2,0,0,0,0|1,0,0]=3 7386 B16R1.4226 CCOC(=O)/C=C(\C)/c1cccc(c1)C#N 271570a_100050291487_100000189340 [0,2,0,0,0,0|1,0,1]=4 7387 B16R1.4226 CCOC(=O)/C=C(\C)/c1cccc(c1)C=O 271570a_100050291487_100000014684 [0,2,0,0,0,0|1,0,1]=4 7388 B16R1.4226 CCOC(=O)/C=C(\C)/c1cccc(c1)CC 271570a_100050291487_100000684523 [0,2,0,0,0,0|1,0,1]=4 7389 B16R1.4226 CCOC(=O)/C=C(\C)/c1cccc(c1)CF 271570a_100050291487_100010878472 [0,2,0,0,0,0|1,0,1]=4 7390 B16R1.4226 CCOC(=O)/C=C(\C)/c1cccc(c1)CN 271570a_100050291487_100000106179 [0,2,0,0,0,0|1,0,1]=4 7391 B16R1.4226 CCOC(=O)/C=C(\C)/c1cccc(c1)CO 271570a_100050291487_100000687537 [0,2,0,0,0,0|1,0,1]=4 7392 B16R1.4226 CCOC(=O)/C=C(\C)/c1cccc(c1)NC 271570a_100050291487_100000219648 [0,2,0,0,0,0|1,0,1]=4 7393 B16R1.4226 CCOC(=O)/C=C(\C)/c1cccc(c1)NN 271570a_100050291487_100000217339 [0,2,0,0,0,0|1,0,1]=4 7394 B16R1.4226 CCOC(=O)/C=C(\C)/c1cccc(c1)OC 271570a_100050291487_100000170001 [0,2,0,0,0,0|1,0,1]=4 7395 B16R1.4226 CCOC(=O)/C=C(\C)/c1cccc(c1)SC 271570a_100050291487_100011215954 [0,2,0,0,0,0|1,0,1]=4 7396 B16R1.4226 CCOC(=O)C=C(C)c1cccc(c1)SC 62a_100038093329_200000210301 [0,2,0,0,0,0|1,0,1]=4 7397 B16R1.4226 CCOC(=O)C=C(C)c1cccc(c1)SC 62a_200000210301_100038093329 [0,2,0,0,0,0|1,0,1]=4 7398 B16R1.4226 CCOC(=O)C=C(C)c1cccc(c1)S[13CH3] 62a_100038093329_200025704644 [0,2,0,0,0,0|1,0,1]=4 7399 B16R1.4226 CCOC(=O)C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100038093329 [0,2,0,0,0,0|1,0,1]=4 7400 B16R1.4226 CCOC(=O)CC(=O)c1cccc(c1)C#N 1458a_100000183950_100000188475 [0,2,0,0,0,0|0,0,0]=2 7401 B16R1.4226 CCOC(=O)CC(=O)c1cccc(c1)CC 1458a_100011933908_100000188475 [0,2,0,0,0,0|0,0,0]=2 7402 B16R1.4226 CCOC(=O)CC(=O)c1cccc(c1)CO 1458a_100000746274_100000188475 [0,2,0,0,0,0|0,0,0]=2 7403 B16R1.4226 CCOC(=O)CC(=O)c1cccc(c1)OC 1458a_100000188888_100000188475 [0,2,0,0,0,0|0,0,0]=2 7404 B16R1.4226 CCOC(=O)CC(=O)c1cccc(c1)SC 1458a_100011217804_100000188475 [0,2,0,0,0,0|0,0,0]=2 7405 B16R1.4226 CCOC(=O)CC(=O)c1cccc(c1)SC 62a_100011248971_200000210301 [0,2,0,0,0,0|0,0,0]=2 7406 B16R1.4226 CCOC(=O)CC(=O)c1cccc(c1)SC 62a_200000210301_100011248971 [0,2,0,0,0,0|0,0,0]=2 7407 B16R1.4226 CCOC(=O)CC(=O)c1cccc(c1)S[13CH3] 62a_100011248971_200025704644 [0,2,0,0,0,0|0,0,0]=2 7408 B16R1.4226 CCOC(=O)CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100011248971 [0,2,0,0,0,0|0,0,0]=2 7409 B16R1.4226 CCOC(=O)CC(=O)c1cncc(c1)SC 62a_100012351078_200000210301 [0,2,0,0,0,0|1,0,0]=3 7410 B16R1.4226 CCOC(=O)CC(=O)c1cncc(c1)SC 62a_200000210301_100012351078 [0,2,0,0,0,0|1,0,0]=3 7411 B16R1.4226 CCOC(=O)CC(=O)c1cncc(c1)S[13CH3] 62a_100012351078_200025704644 [0,2,0,0,0,0|1,0,0]=3 7412 B16R1.4226 CCOC(=O)CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100012351078 [0,2,0,0,0,0|1,0,0]=3 7413 B16R1.4226 CCOC(=O)CC(N)c1cccc(c1)SC 62a_100020603595_200000210301 [0,2,0,0,0,0|1,0,1]=4 7414 B16R1.4226 CCOC(=O)CC(N)c1cccc(c1)SC 62a_200000210301_100020603595 [0,2,0,0,0,0|1,0,1]=4 7415 B16R1.4226 CCOC(=O)CC(N)c1cccc(c1)S[13CH3] 62a_100020603595_200025704644 [0,2,0,0,0,0|1,0,1]=4 7416 B16R1.4226 CCOC(=O)CC(N)c1cccc(c1)S[13CH3] 62a_200025704644_100020603595 [0,2,0,0,0,0|1,0,1]=4 7417 B16R1.4226 CCOC(=O)CN(C)c1cccc(c1)C#N 2230a_100000221292_100000188475 [0,2,0,0,0,0|2,0,0]=4 7418 B16R1.4226 CCOC(=O)CN(C)c1cccc(c1)C#N 269982a_100000221292_100000188475 [0,2,0,0,0,0|2,0,0]=4 7419 B16R1.4226 CCOC(=O)CN(C)c1cccc(c1)C#N 34a_100000221292_100000188475 [0,2,0,0,0,0|2,0,0]=4 7420 B16R1.4226 CCOC(=O)CN(C)c1cccc(c1)C#N 7a_100000221292_100000188475 [0,2,0,0,0,0|2,0,0]=4 7421 B16R1.4226 CCOC(=O)CN(C)c1cccc(c1)OC 2230a_100000219725_100000188475 [0,2,0,0,0,0|2,0,0]=4 7422 B16R1.4226 CCOC(=O)CN(C)c1cccc(c1)OC 269982a_100000219725_100000188475 [0,2,0,0,0,0|2,0,0]=4 7423 B16R1.4226 CCOC(=O)CN(C)c1cccc(c1)OC 34a_100000219725_100000188475 [0,2,0,0,0,0|2,0,0]=4 7424 B16R1.4226 CCOC(=O)CN(C)c1cccc(c1)SC 2230a_100020672454_100000188475 [0,2,0,0,0,0|2,0,0]=4 7425 B16R1.4226 CCOC(=O)CN(C)c1cccc(c1)SC 269982a_100020672454_100000188475 [0,2,0,0,0,0|2,0,0]=4 7426 B16R1.4226 CCOC(=O)CN(C)c1cccc(c1)SC 34a_100020672454_100000188475 [0,2,0,0,0,0|2,0,0]=4 7427 B16R1.4226 CCc1cccc(c1)C(=O)CC(=O)NCO 1458a_100011933908_100000185155 [0,2,0,0,0,0|2,0,0]=4 7428 B16R1.4226 COCC(=O)CC(=O)c1cccc(c1)C#N 1458a_100000210968_100000751541 [0,2,0,0,0,0|2,0,0]=4 7429 B16R1.4226 COCC(=O)CC(=O)c1cccc(c1)OC 1458a_100000210968_100000211451 [0,2,0,0,0,0|2,0,0]=4 7430 B16R1.4226 COc1cccc(c1)C(=O)CC(=O)CCO 1458a_100011216618_100000211451 [0,2,0,0,0,0|2,0,0]=4 7431 B16R1.4226 COc1cccc(c1)C(=O)CC(=O)CSC 1458a_100000184570_100000211451 [0,2,0,0,0,0|2,0,0]=4 7432 B16R1.4226 COc1cccc(c1)C(=O)CC(=O)NCO 1458a_100000188888_100000185155 [0,2,0,0,0,0|2,0,0]=4 7433 B16R1.4226 CSCC(=O)CC(=O)c1cccc(c1)C#N 1458a_100000184570_100000751541 [0,2,0,0,0,0|2,0,0]=4 7434 B16R1.4226 CSc1cccc(c1)C(=O)CC(=O)NCO 1458a_100011217804_100000185155 [0,2,0,0,0,0|2,0,0]=4 7435 B16R1.4226 N#Cc1cccc(c1)C(=O)CC(=O)CCO 1458a_100011216618_100000751541 [0,2,0,0,0,0|2,0,0]=4 7436 B16R1.4226 N#Cc1cccc(c1)C(=O)CC(=O)NCO 1458a_100000183950_100000185155 [0,2,0,0,0,0|2,0,0]=4 7437 B16R1.4226 O=C(CC(=O)c1cccc(c1)CO)NCO 1458a_100000746274_100000185155 [0,2,0,0,0,0|2,0,0]=4 7438 B16R1.11195 CC(=CC(=O)CC(=O)c1cccc(c1)Br)C 1458a_100000211388_100000212080 [0,2,0,0,0,0|1,0,1]=4 7439 B16R1.11195 CC(=CC(=O)CC(=O)c1cccc(c1)Br)Cl 1458a_200042562850_100000212080 [0,2,0,0,0,0|1,0,1]=4 7440 B16R1.11195 CC(=CC(=O)CC(=O)c1cccc(c1)Br)I 1458a_100025716642_100000212080 [0,2,0,0,0,0|1,0,1]=4 7441 B16R1.11195 CC(=CC(=O)CC(=O)c1cccc(c1)C)C 1458a_100000211388_100000739480 [0,2,0,0,0,0|1,0,1]=4 7442 B16R1.11195 CC(=CC(=O)CC(=O)c1cccc(c1)C)Cl 1458a_200042562850_100000739480 [0,2,0,0,0,0|1,0,1]=4 7443 B16R1.11195 CC(=CC(=O)CC(=O)c1cccc(c1)C)I 1458a_100025716642_100000739480 [0,2,0,0,0,0|1,0,1]=4 7444 B16R1.11195 CC(=CC(=O)CC(=O)c1cccc(c1)Cl)C 1458a_100000211388_100000211444 [0,2,0,0,0,0|1,0,1]=4 7445 B16R1.11195 CC(=CC(=O)CC(=O)c1cccc(c1)Cl)Cl 1458a_200042562850_100000211444 [0,2,0,0,0,0|1,0,1]=4 7446 B16R1.11195 CC(=CC(=O)CC(=O)c1cccc(c1)Cl)I 1458a_100025716642_100000211444 [0,2,0,0,0,0|1,0,1]=4 7447 B16R1.11195 CC(=CC(=O)CC(=O)c1cccc(c1)F)C 1458a_100000211388_100000215616 [0,2,0,0,0,0|1,0,1]=4 7448 B16R1.11195 CC(=CC(=O)CC(=O)c1cccc(c1)F)Cl 1458a_200042562850_100000215616 [0,2,0,0,0,0|1,0,1]=4 7449 B16R1.11195 CC(=CC(=O)CC(=O)c1cccc(c1)F)I 1458a_100025716642_100000215616 [0,2,0,0,0,0|1,0,1]=4 7450 B16R1.11195 CC(=CC(=O)CC(=O)c1cccc(c1)O)C 1458a_100000211388_100009813753 [0,2,0,0,0,0|1,0,1]=4 7451 B16R1.11195 CC(=CC(=O)CC(=O)c1cccc(c1)O)Cl 1458a_200042562850_100009813753 [0,2,0,0,0,0|1,0,1]=4 7452 B16R1.11195 CC(=CC(=O)CC(=O)c1cccc(c1)O)I 1458a_100025716642_100009813753 [0,2,0,0,0,0|1,0,1]=4 7453 B16R1.11195 CC(=O)NC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000183797 [0,2,0,0,0,0|1,0,1]=4 7454 B16R1.11195 CC(=O)NC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_100000183797 [0,2,0,0,0,0|1,0,1]=4 7455 B16R1.11195 CC(=O)NC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000183797 [0,2,0,0,0,0|1,0,1]=4 7456 B16R1.11195 CC(=O)NC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000183797 [0,2,0,0,0,0|1,0,1]=4 7457 B16R1.11195 CC(=O)NC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000183797 [0,2,0,0,0,0|1,0,1]=4 7458 B16R1.11195 CC(=O)NC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000183797 [0,2,0,0,0,0|1,0,1]=4 7459 B16R1.11195 CC(C)CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210554_100000212080 [0,2,0,0,0,0|1,0,0]=3 7460 B16R1.11195 CC(C)CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210554_100000211444 [0,2,0,0,0,0|1,0,0]=3 7461 B16R1.11195 CC(C)CC(=O)CC(=O)c1cccc(c1)F 1458a_100000210554_100000215616 [0,2,0,0,0,0|1,0,0]=3 7462 B16R1.11195 CC(C)CC(=O)CC(=O)c1cccc(c1)O 1458a_100000210554_100009813753 [0,2,0,0,0,0|1,0,0]=3 7463 B16R1.11195 CC(C)CC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100000210554_100009817076 [0,2,0,0,0,0|2,0,0]=4 7464 B16R1.11195 CC(C)NC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100000183996 [0,2,0,0,0,0|1,0,0]=3 7465 B16R1.11195 CC(C)NC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100000183996 [0,2,0,0,0,0|1,0,0]=3 7466 B16R1.11195 CC(C)NC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100000183996 [0,2,0,0,0,0|1,0,0]=3 7467 B16R1.11195 CC(C)NC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100000183996 [0,2,0,0,0,0|1,0,0]=3 7468 B16R1.11195 CC(C)NC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000183996 [0,2,0,0,0,0|1,0,0]=3 7469 B16R1.11195 CC(C)OC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_100011215430 [0,2,0,0,0,0|0,0,0]=2 7470 B16R1.11195 CC(C)OC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_100011215430 [0,2,0,0,0,0|0,0,0]=2 7471 B16R1.11195 CC(C)OC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_100011215430 [0,2,0,0,0,0|0,0,0]=2 7472 B16R1.11195 CC(C)OC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_100011215430 [0,2,0,0,0,0|0,0,0]=2 7473 B16R1.11195 CC(C)OC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100011215430 [0,2,0,0,0,0|0,0,0]=2 7474 B16R1.11195 CC(C)OC(=O)CN(C)c1cccc(c1)Br 2230a_100000219648_100011215430 [0,2,0,0,0,0|2,0,0]=4 7475 B16R1.11195 CC(C)OC(=O)CN(C)c1cccc(c1)Br 269982a_100000219648_100011215430 [0,2,0,0,0,0|2,0,0]=4 7476 B16R1.11195 CC(C)OC(=O)CN(C)c1cccc(c1)Br 34a_100000219648_100011215430 [0,2,0,0,0,0|2,0,0]=4 7477 B16R1.11195 CC(C)OC(=O)CN(C)c1cccc(c1)Cl 2230a_100000220044_100011215430 [0,2,0,0,0,0|2,0,0]=4 7478 B16R1.11195 CC(C)OC(=O)CN(C)c1cccc(c1)Cl 269982a_100000220044_100011215430 [0,2,0,0,0,0|2,0,0]=4 7479 B16R1.11195 CC(C)OC(=O)CN(C)c1cccc(c1)Cl 34a_100000220044_100011215430 [0,2,0,0,0,0|2,0,0]=4 7480 B16R1.11195 CC(C)OC(=O)CN(C)c1cccc(c1)F 2230a_100020633736_100011215430 [0,2,0,0,0,0|2,0,0]=4 7481 B16R1.11195 CC(C)OC(=O)CN(C)c1cccc(c1)F 269982a_100020633736_100011215430 [0,2,0,0,0,0|2,0,0]=4 7482 B16R1.11195 CC(C)OC(=O)CN(C)c1cccc(c1)F 34a_100020633736_100011215430 [0,2,0,0,0,0|2,0,0]=4 7483 B16R1.11195 CC(C)OC(=O)CN(C)c1cccc(c1)I 2230a_100000221217_100011215430 [0,2,0,0,0,0|2,0,0]=4 7484 B16R1.11195 CC(C)OC(=O)CN(C)c1cccc(c1)I 269982a_100000221217_100011215430 [0,2,0,0,0,0|2,0,0]=4 7485 B16R1.11195 CC(C)OC(=O)CN(C)c1cccc(c1)I 34a_100000221217_100011215430 [0,2,0,0,0,0|2,0,0]=4 7486 B16R1.11195 CC(C)OC(=O)CN(C)c1cccc(c1)O 2230a_100000756613_100011215430 [0,2,0,0,0,0|2,0,0]=4 7487 B16R1.11195 CC(C)OC(=O)CN(C)c1cccc(c1)O 269982a_100000756613_100011215430 [0,2,0,0,0,0|2,0,0]=4 7488 B16R1.11195 CC(C)OC(=O)CN(C)c1cccc(c1)O 34a_100000756613_100011215430 [0,2,0,0,0,0|2,0,0]=4 7489 B16R1.11195 CN(C)CC(=O)CC(=O)c1cccc(c1)Br 1458a_100000750896_100000212080 [0,2,0,0,0,0|2,0,0]=4 7490 B16R1.11195 CN(C)CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000750896_100000211444 [0,2,0,0,0,0|2,0,0]=4 7491 B16R1.11195 CN(C)CC(=O)CC(=O)c1cccc(c1)F 1458a_100000750896_100000215616 [0,2,0,0,0,0|2,0,0]=4 7492 B16R1.11195 CN(C)CC(=O)CC(=O)c1cccc(c1)O 1458a_100000750896_100009813753 [0,2,0,0,0,0|2,0,0]=4 7493 B16R1.11195 C[C@@H](O)CC(=O)CC(=O)c1cccc(c1)Br 1458a_100011933948_100000212080 [0,2,0,0,0,0|1,0,0]=3 7494 B16R1.11195 C[C@@H](O)CC(=O)CC(=O)c1cccc(c1)Cl 1458a_100011933948_100000211444 [0,2,0,0,0,0|1,0,0]=3 7495 B16R1.11195 C[C@@H](O)CC(=O)CC(=O)c1cccc(c1)F 1458a_100011933948_100000215616 [0,2,0,0,0,0|1,0,0]=3 7496 B16R1.11195 C[C@@H](O)CC(=O)CC(=O)c1cccc(c1)O 1458a_100011933948_100009813753 [0,2,0,0,0,0|1,0,0]=3 7497 B16R1.11195 C[C@@H](O)CC(=O)CC(=O)c1ccnc(c1)Cl 1458a_100011933948_100009817076 [0,2,0,0,0,0|2,0,0]=4 7498 B16R1.11195 C[S+](C)CC(=O)CC(=O)c1cccc(c1)Br 1458a_200159257847_100000212080 [0,2,0,0,0,0|2,0,0]=4 7499 B16R1.11195 C[S+](C)CC(=O)CC(=O)c1cccc(c1)Cl 1458a_200159257847_100000211444 [0,2,0,0,0,0|2,0,0]=4 7500 B16R1.11195 C[S+](C)CC(=O)CC(=O)c1cccc(c1)F 1458a_200159257847_100000215616 [0,2,0,0,0,0|2,0,0]=4 7501 B16R1.11195 C[S+](C)CC(=O)CC(=O)c1cccc(c1)O 1458a_200159257847_100009813753 [0,2,0,0,0,0|2,0,0]=4 7502 B16R1.11195 Cc1cccc(c1)C(=O)CC(=O)CC(C)C 1458a_100000210554_100000739480 [0,2,0,0,0,0|1,0,0]=3 7503 B16R1.11195 Cc1cccc(c1)C(=O)CC(=O)CN(C)C 1458a_100000750896_100000739480 [0,2,0,0,0,0|2,0,0]=4 7504 B16R1.11195 Cc1cccc(c1)C(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000739480 [0,2,0,0,0,0|1,0,0]=3 7505 B16R1.11195 Cc1cccc(c1)C(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000739480 [0,2,0,0,0,0|2,0,0]=4 7506 B16R1.11195 Cc1cccc(c1)C(=O)CC(=O)NC(C)C 1458a_100000189346_100000183996 [0,2,0,0,0,0|1,0,0]=3 7507 B16R1.11195 Cc1cccc(c1)C(=O)CC(=O)OC(C)C 1458a_100000189346_100011215430 [0,2,0,0,0,0|0,0,0]=2 7508 B16R1.11195 Cc1cccc(c1)N(C)CC(=O)OC(C)C 2230a_100000219674_100011215430 [0,2,0,0,0,0|2,0,0]=4 7509 B16R1.11195 Cc1cccc(c1)N(C)CC(=O)OC(C)C 269982a_100000219674_100011215430 [0,2,0,0,0,0|2,0,0]=4 7510 B16R1.11195 Cc1cccc(c1)N(C)CC(=O)OC(C)C 34a_100000219674_100011215430 [0,2,0,0,0,0|2,0,0]=4 7511 B16R1.13670 CCO[Si](C)(C)CC(=O)c1cccc(c1)Br 1458a_100000210664_200000065227 [0,2,0,0,0,0|1,1,0]=4 7512 B16R1.13670 CCO[Si](C)(C)CC(=O)c1cccc(c1)C 1458a_100000189346_200000065227 [0,2,0,0,0,0|1,1,0]=4 7513 B16R1.13670 CCO[Si](C)(C)CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000065227 [0,2,0,0,0,0|1,1,0]=4 7514 B16R1.13670 CCO[Si](C)(C)CC(=O)c1cccc(c1)F 1458a_100000210950_200000065227 [0,2,0,0,0,0|1,1,0]=4 7515 B16R1.13670 CCO[Si](C)(C)CC(=O)c1cccc(c1)I 1458a_100000184098_200000065227 [0,2,0,0,0,0|1,1,0]=4 7516 B16R1.13670 CCO[Si](C)(C)CC(=O)c1cccc(c1)O 1458a_100000183914_200000065227 [0,2,0,0,0,0|1,1,0]=4 7517 B16R1.35 C#CCCCC(=O)CC(=O)c1ccccc1 1458a_100000690238_100000211460 [0,2,0,0,0,0|1,0,0]=3 7518 B16R1.35 C#CCCCC(=O)CC(=O)c1ccccn1 1458a_100000690238_100000027445 [0,2,0,0,0,0|2,0,0]=4 7519 B16R1.35 C#CCCCC(=O)CC(=O)c1cccnc1 1458a_100000690238_100015188593 [0,2,0,0,0,0|2,0,0]=4 7520 B16R1.35 C#CCCCC(=O)CC(=O)c1ccncc1 1458a_100000690238_100000027454 [0,2,0,0,0,0|2,0,0]=4 7521 B16R1.35 C#CCOCC(=O)CC(=O)c1ccccc1 1458a_100011251226_100000211460 [0,2,0,0,0,0|0,0,1]=3 7522 B16R1.35 C#CCOCC(=O)CC(=O)c1ccccn1 1458a_100011251226_100000027445 [0,2,0,0,0,0|1,0,1]=4 7523 B16R1.35 C#CCOCC(=O)CC(=O)c1cccnc1 1458a_100011251226_100015188593 [0,2,0,0,0,0|1,0,1]=4 7524 B16R1.35 C#CCOCC(=O)CC(=O)c1ccncc1 1458a_100011251226_100000027454 [0,2,0,0,0,0|1,0,1]=4 7525 B16R1.35 C/C=C/C=CC(=O)CC(=O)c1ccccc1 1458a_100000185730_100000211460 [0,2,0,0,0,0|1,0,1]=4 7526 B16R1.35 C=CCCCC(=O)CC(=O)c1ccccc1 1458a_100000766728_100000211460 [0,2,0,0,0,0|1,0,0]=3 7527 B16R1.35 C=CCCCC(=O)CC(=O)c1ccccn1 1458a_100000766728_100000027445 [0,2,0,0,0,0|2,0,0]=4 7528 B16R1.35 C=CCCCC(=O)CC(=O)c1cccnc1 1458a_100000766728_100015188593 [0,2,0,0,0,0|2,0,0]=4 7529 B16R1.35 C=CCCCC(=O)CC(=O)c1ccncc1 1458a_100000766728_100000027454 [0,2,0,0,0,0|2,0,0]=4 7530 B16R1.35 C=CCSCC(=O)CC(=O)c1ccccc1 1458a_100000230395_100000211460 [0,2,0,0,0,0|0,1,1]=4 7531 B16R1.35 CC(CC(=O)COCCO)c1ccccc1 1458a_100000708028_100000756946 [0,2,0,0,0,0|1,0,1]=4 7532 B16R1.35 CC/C=C/CC(=O)CC(=O)c1ccccc1 1458a_100016274230_100000211460 [0,2,0,0,0,0|1,0,0]=3 7533 B16R1.35 CC/C=C/CC(=O)CC(=O)c1ccccn1 1458a_100016274230_100000027445 [0,2,0,0,0,0|2,0,0]=4 7534 B16R1.35 CC/C=C/CC(=O)CC(=O)c1cccnc1 1458a_100016274230_100015188593 [0,2,0,0,0,0|2,0,0]=4 7535 B16R1.35 CC/C=C/CC(=O)CC(=O)c1ccncc1 1458a_100016274230_100000027454 [0,2,0,0,0,0|2,0,0]=4 7536 B16R1.35 CCCC#CC(=O)CC(=O)c1ccccc1 1458a_200011218047_100000211460 [0,2,0,0,0,0|1,0,0]=3 7537 B16R1.35 CCCC#CC(=O)CC(=O)c1ccccn1 1458a_200011218047_100000027445 [0,2,0,0,0,0|2,0,0]=4 7538 B16R1.35 CCCC#CC(=O)CC(=O)c1cccnc1 1458a_200011218047_100015188593 [0,2,0,0,0,0|2,0,0]=4 7539 B16R1.35 CCCC#CC(=O)CC(=O)c1ccncc1 1458a_200011218047_100000027454 [0,2,0,0,0,0|2,0,0]=4 7540 B16R1.35 CCCC=CC(=O)CC(=O)c1ccccc1 1458a_100000212230_100000211460 [0,2,0,0,0,0|1,0,0]=3 7541 B16R1.35 CCCC=CC(=O)CC(=O)c1ccccn1 1458a_100000212230_100000027445 [0,2,0,0,0,0|2,0,0]=4 7542 B16R1.35 CCCC=CC(=O)CC(=O)c1cccnc1 1458a_100000212230_100015188593 [0,2,0,0,0,0|2,0,0]=4 7543 B16R1.35 CCCC=CC(=O)CC(=O)c1ccncc1 1458a_100000212230_100000027454 [0,2,0,0,0,0|2,0,0]=4 7544 B16R1.35 CCCCCC(=O)CC(=O)c1ccccc1 1458a_100000185807_200012276598 [0,2,0,0,0,0|1,0,0]=3 7545 B16R1.35 CCCCCC(=O)CC(=O)c1ccccc1 1458a_100000212188_100000211460 [0,2,0,0,0,0|1,0,0]=3 7546 B16R1.35 CCCCCC(=O)CC(=O)c1ccccn1 1458a_100000212188_100000027445 [0,2,0,0,0,0|2,0,0]=4 7547 B16R1.35 CCCCCC(=O)CC(=O)c1cccnc1 1458a_100000212188_100015188593 [0,2,0,0,0,0|2,0,0]=4 7548 B16R1.35 CCCCCC(=O)CC(=O)c1ccncc1 1458a_100000212188_100000027454 [0,2,0,0,0,0|2,0,0]=4 7549 B16R1.35 CCCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000182744 [0,2,0,0,0,0|1,0,0]=3 7550 B16R1.35 CCCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000211628 [0,2,0,0,0,0|0,0,0]=2 7551 B16R1.35 CCCCOC(=O)CN(C)c1ccccc1 2230a_100000210012_100000211628 [0,2,0,0,0,0|2,0,0]=4 7552 B16R1.35 CCCCOC(=O)CN(C)c1ccccc1 269982a_100000210012_100000211628 [0,2,0,0,0,0|2,0,0]=4 7553 B16R1.35 CCCCOC(=O)CN(C)c1ccccc1 34a_100000210012_100000211628 [0,2,0,0,0,0|2,0,0]=4 7554 B16R1.35 CCCOCC(=O)CC(=O)c1ccccc1 1458a_100000745993_100000211460 [0,2,0,0,0,0|0,0,0]=2 7555 B16R1.35 CCCOCC(=O)CC(=O)c1ccccn1 1458a_100000745993_100000027445 [0,2,0,0,0,0|1,0,0]=3 7556 B16R1.35 CCCOCC(=O)CC(=O)c1cccnc1 1458a_100000745993_100015188593 [0,2,0,0,0,0|1,0,0]=3 7557 B16R1.35 CCCOCC(=O)CC(=O)c1ccncc1 1458a_100000745993_100000027454 [0,2,0,0,0,0|1,0,0]=3 7558 B16R1.35 CCCOCC(=O)CC(=O)c1ncccn1 1458a_100000745993_100020636365 [0,2,0,0,0,0|2,0,0]=4 7559 B16R1.35 CCCOCC(=O)CC(C)c1ccccc1 1458a_100000745993_100000756946 [0,2,0,0,0,0|1,0,1]=4 7560 B16R1.35 CCCOCC(=O)CC(O)c1ccccc1 1458a_100000745993_100000185958 [0,2,0,0,0,0|0,0,2]=4 7561 B16R1.35 CCCOCC(=O)C[C@@H](O)c1ccccc1 1458a_100000745993_100011933945 [0,2,0,0,0,0|0,0,2]=4 7562 B16R1.35 CCCSCC(=O)CC(=O)c1ccccc1 1458a_100000217233_100000211460 [0,2,0,0,0,0|0,1,0]=3 7563 B16R1.35 CCCSCC(=O)CC(=O)c1ccccn1 1458a_100000217233_100000027445 [0,2,0,0,0,0|1,1,0]=4 7564 B16R1.35 CCCSCC(=O)CC(=O)c1cccnc1 1458a_100000217233_100015188593 [0,2,0,0,0,0|1,1,0]=4 7565 B16R1.35 CCCSCC(=O)CC(=O)c1ccncc1 1458a_100000217233_100000027454 [0,2,0,0,0,0|1,1,0]=4 7566 B16R1.35 CCCSCC(=O)NC(=O)c1ccccc1 62a_100000210303_100000010347 [0,2,0,0,0,0|1,1,0]=4 7567 B16R1.35 CCOC=CC(=O)CC(=O)c1ccccc1 1458a_100016266692_100000211460 [0,2,0,0,0,0|0,0,0]=2 7568 B16R1.35 CCOC=CC(=O)CC(=O)c1ccccn1 1458a_100016266692_100000027445 [0,2,0,0,0,0|1,0,0]=3 7569 B16R1.35 CCOC=CC(=O)CC(=O)c1cccnc1 1458a_100016266692_100015188593 [0,2,0,0,0,0|1,0,0]=3 7570 B16R1.35 CCOC=CC(=O)CC(=O)c1ccncc1 1458a_100016266692_100000027454 [0,2,0,0,0,0|1,0,0]=3 7571 B16R1.35 CCOC=CC(=O)CC(=O)c1ncccn1 1458a_100016266692_100020636365 [0,2,0,0,0,0|2,0,0]=4 7572 B16R1.35 CCOC=CC(=O)CC(C)c1ccccc1 1458a_100016266692_100000756946 [0,2,0,0,0,0|1,0,1]=4 7573 B16R1.35 CCOC=CC(=O)CC(O)c1ccccc1 1458a_100016266692_100000185958 [0,2,0,0,0,0|0,0,2]=4 7574 B16R1.35 CCOC=CC(=O)C[C@@H](O)c1ccccc1 1458a_100016266692_100011933945 [0,2,0,0,0,0|0,0,2]=4 7575 B16R1.35 CCOCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100011215890 [0,2,0,0,0,0|1,0,1]=4 7576 B16R1.35 CCOCCC(=O)CC(=O)c1ccccc1 1458a_100000749530_100000211460 [0,2,0,0,0,0|0,0,0]=2 7577 B16R1.35 CCOCCC(=O)CC(=O)c1ccccn1 1458a_100000749530_100000027445 [0,2,0,0,0,0|1,0,0]=3 7578 B16R1.35 CCOCCC(=O)CC(=O)c1cccnc1 1458a_100000749530_100015188593 [0,2,0,0,0,0|1,0,0]=3 7579 B16R1.35 CCOCCC(=O)CC(=O)c1ccncc1 1458a_100000749530_100000027454 [0,2,0,0,0,0|1,0,0]=3 7580 B16R1.35 CCOCCC(=O)CC(=O)c1ncccn1 1458a_100000749530_100020636365 [0,2,0,0,0,0|2,0,0]=4 7581 B16R1.35 CCOCCC(=O)CC(C)c1ccccc1 1458a_100000183687_100011215890 [0,2,0,0,0,0|1,0,1]=4 7582 B16R1.35 CCOCCC(=O)CC(C)c1ccccc1 1458a_100000749530_100000756946 [0,2,0,0,0,0|1,0,1]=4 7583 B16R1.35 CCOCCC(=O)CC(O)c1ccccc1 1458a_100000690199_100011215890 [0,2,0,0,0,0|0,0,2]=4 7584 B16R1.35 CCOCCC(=O)CC(O)c1ccccc1 1458a_100000749530_100000185958 [0,2,0,0,0,0|0,0,2]=4 7585 B16R1.35 CCOCCC(=O)CN(C)c1ccccc1 1458a_100000745425_100011215890 [0,2,0,0,0,0|2,0,0]=4 7586 B16R1.35 CCOCCC(=O)C[C@@H](O)c1ccccc1 1458a_100000749530_100011933945 [0,2,0,0,0,0|0,0,2]=4 7587 B16R1.35 CCSCCC(=O)CC(=O)c1ccccc1 1458a_100000230768_100000211460 [0,2,0,0,0,0|0,1,0]=3 7588 B16R1.35 CCSCCC(=O)CC(=O)c1ccccn1 1458a_100000230768_100000027445 [0,2,0,0,0,0|1,1,0]=4 7589 B16R1.35 CCSCCC(=O)CC(=O)c1cccnc1 1458a_100000230768_100015188593 [0,2,0,0,0,0|1,1,0]=4 7590 B16R1.35 CCSCCC(=O)CC(=O)c1ccncc1 1458a_100000230768_100000027454 [0,2,0,0,0,0|1,1,0]=4 7591 B16R1.35 COCC=CC(=O)CC(=O)c1ccccc1 1458a_100016285016_100000211460 [0,2,0,0,0,0|1,0,0]=3 7592 B16R1.35 COCC=CC(=O)CC(=O)c1ccccn1 1458a_100016285016_100000027445 [0,2,0,0,0,0|2,0,0]=4 7593 B16R1.35 COCC=CC(=O)CC(=O)c1cccnc1 1458a_100016285016_100015188593 [0,2,0,0,0,0|2,0,0]=4 7594 B16R1.35 COCC=CC(=O)CC(=O)c1ccncc1 1458a_100016285016_100000027454 [0,2,0,0,0,0|2,0,0]=4 7595 B16R1.35 COCCCC(=O)CC(=O)c1ccccc1 1458a_100000741012_100000211460 [0,2,0,0,0,0|1,0,0]=3 7596 B16R1.35 COCCCC(=O)CC(=O)c1ccccn1 1458a_100000741012_100000027445 [0,2,0,0,0,0|2,0,0]=4 7597 B16R1.35 COCCCC(=O)CC(=O)c1cccnc1 1458a_100000741012_100015188593 [0,2,0,0,0,0|2,0,0]=4 7598 B16R1.35 COCCCC(=O)CC(=O)c1ccncc1 1458a_100000741012_100000027454 [0,2,0,0,0,0|2,0,0]=4 7599 B16R1.35 COCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183275 [0,2,0,0,0,0|1,0,0]=3 7600 B16R1.35 COCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_200000040189 [0,2,0,0,0,0|0,0,0]=2 7601 B16R1.35 COCCOC(=O)CN(C)c1ccccc1 2230a_100000210012_200000040189 [0,2,0,0,0,0|2,0,0]=4 7602 B16R1.35 COCCOC(=O)CN(C)c1ccccc1 269982a_100000210012_200000040189 [0,2,0,0,0,0|2,0,0]=4 7603 B16R1.35 COCCOC(=O)CN(C)c1ccccc1 34a_100000210012_200000040189 [0,2,0,0,0,0|2,0,0]=4 7604 B16R1.35 COCSCC(=O)NC(=O)c1ccccc1 62a_100000766300_100000010347 [0,2,0,0,0,0|1,1,0]=4 7605 B16R1.35 CSCCCC(=O)CC(=O)c1ccccc1 1458a_100000173376_100000211460 [0,2,0,0,0,0|1,0,0]=3 7606 B16R1.35 CSCCCC(=O)CC(=O)c1ccccn1 1458a_100000173376_100000027445 [0,2,0,0,0,0|2,0,0]=4 7607 B16R1.35 CSCCCC(=O)CC(=O)c1cccnc1 1458a_100000173376_100015188593 [0,2,0,0,0,0|2,0,0]=4 7608 B16R1.35 CSCCCC(=O)CC(=O)c1ccncc1 1458a_100000173376_100000027454 [0,2,0,0,0,0|2,0,0]=4 7609 B16R1.35 CSCSCC(=O)NC(=O)c1ccccc1 62a_100011218213_100000010347 [0,2,0,0,0,0|1,1,0]=4 7610 B16R1.35 N#CCCCC(=O)CC(=O)c1ccccc1 1458a_100000075515_100000211460 [0,2,0,0,0,0|1,0,0]=3 7611 B16R1.35 N#CCCCC(=O)CC(=O)c1ccccn1 1458a_100000075515_100000027445 [0,2,0,0,0,0|2,0,0]=4 7612 B16R1.35 N#CCCCC(=O)CC(=O)c1cccnc1 1458a_100000075515_100015188593 [0,2,0,0,0,0|2,0,0]=4 7613 B16R1.35 N#CCCCC(=O)CC(=O)c1ccncc1 1458a_100000075515_100000027454 [0,2,0,0,0,0|2,0,0]=4 7614 B16R1.35 N#CCSCC(=O)CC(=O)c1ccccc1 1458a_100000150266_100000211460 [0,2,0,0,0,0|0,1,1]=4 7615 B16R1.35 O=C(CCCCO)CC(=O)c1ccccc1 1458a_100000695505_100000211460 [0,2,0,0,0,0|1,0,0]=3 7616 B16R1.35 O=C(CCCCO)CC(=O)c1ccccn1 1458a_100000695505_100000027445 [0,2,0,0,0,0|2,0,0]=4 7617 B16R1.35 O=C(CCCCO)CC(=O)c1cccnc1 1458a_100000695505_100015188593 [0,2,0,0,0,0|2,0,0]=4 7618 B16R1.35 O=C(CCCCO)CC(=O)c1ccncc1 1458a_100000695505_100000027454 [0,2,0,0,0,0|2,0,0]=4 7619 B16R1.35 O=C(COCCO)CC(=O)c1ccccc1 1458a_100000708028_100000211460 [0,2,0,0,0,0|0,0,0]=2 7620 B16R1.35 O=C(COCCO)CC(=O)c1ccccn1 1458a_100000708028_100000027445 [0,2,0,0,0,0|1,0,0]=3 7621 B16R1.35 O=C(COCCO)CC(=O)c1cccnc1 1458a_100000708028_100015188593 [0,2,0,0,0,0|1,0,0]=3 7622 B16R1.35 O=C(COCCO)CC(=O)c1ccncc1 1458a_100000708028_100000027454 [0,2,0,0,0,0|1,0,0]=3 7623 B16R1.35 O=C(COCCO)CC(=O)c1ncccn1 1458a_100000708028_100020636365 [0,2,0,0,0,0|2,0,0]=4 7624 B16R1.35 O=C(COCCO)CC(O)c1ccccc1 1458a_100000708028_100000185958 [0,2,0,0,0,0|0,0,2]=4 7625 B16R1.35 O=C(COCCO)C[C@@H](O)c1ccccc1 1458a_100000708028_100011933945 [0,2,0,0,0,0|0,0,2]=4 7626 B16R1.35 O=C(CSCCF)NC(=O)c1ccccc1 62a_100011217306_100000010347 [0,2,0,0,0,0|1,1,0]=4 7627 B16R1.35 O=C(CSCCO)NC(=O)c1ccccc1 62a_100000211926_100000010347 [0,2,0,0,0,0|1,1,0]=4 7628 B16R1.35 [N-]=[N+]=NCCC(=O)CC(=O)c1ccccc1 1458a_100000688302_100000211460 [0,2,0,0,0,0|2,0,0]=4 7629 B16R1.847 C=CC(C)CC(=O)CC(=O)c1ccccc1 1458a_100011934298_100000211460 [0,2,0,0,0,0|1,0,0]=3 7630 B16R1.847 C=CC(C)CC(=O)CC(=O)c1ccccn1 1458a_100011934298_100000027445 [0,2,0,0,0,0|2,0,0]=4 7631 B16R1.847 C=CC(C)CC(=O)CC(=O)c1cccnc1 1458a_100011934298_100015188593 [0,2,0,0,0,0|2,0,0]=4 7632 B16R1.847 C=CC(C)CC(=O)CC(=O)c1ccncc1 1458a_100011934298_100000027454 [0,2,0,0,0,0|2,0,0]=4 7633 B16R1.847 CCC(=CC(=O)CC(=O)c1ccccc1)C 1458a_100020758463_100000211460 [0,2,0,0,0,0|1,0,0]=3 7634 B16R1.847 CCC(=CC(=O)CC(=O)c1ccccn1)C 1458a_100020758463_100000027445 [0,2,0,0,0,0|2,0,0]=4 7635 B16R1.847 CCC(=CC(=O)CC(=O)c1cccnc1)C 1458a_100020758463_100015188593 [0,2,0,0,0,0|2,0,0]=4 7636 B16R1.847 CCC(=CC(=O)CC(=O)c1ccncc1)C 1458a_100020758463_100000027454 [0,2,0,0,0,0|2,0,0]=4 7637 B16R1.847 CCC(=O)CC(=O)NC(=O)c1ccccc1 1458a_100000210414_100000010347 [0,2,0,0,0,0|2,0,0]=4 7638 B16R1.847 CCC(C)CC(=O)CC(=O)c1ccccc1 1458a_100000708755_100000211460 [0,2,0,0,0,0|1,0,0]=3 7639 B16R1.847 CCC(C)CC(=O)CC(=O)c1ccccn1 1458a_100000708755_100000027445 [0,2,0,0,0,0|2,0,0]=4 7640 B16R1.847 CCC(C)CC(=O)CC(=O)c1cccnc1 1458a_100000708755_100015188593 [0,2,0,0,0,0|2,0,0]=4 7641 B16R1.847 CCC(C)CC(=O)CC(=O)c1ccncc1 1458a_100000708755_100000027454 [0,2,0,0,0,0|2,0,0]=4 7642 B16R1.847 CCC(C)NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000182745 [0,2,0,0,0,0|1,0,0]=3 7643 B16R1.847 CCC(O)CC(=O)CC(=O)c1ccccc1 1458a_100011667805_100000211460 [0,2,0,0,0,0|1,0,0]=3 7644 B16R1.847 CCC(O)CC(=O)CC(=O)c1ccccn1 1458a_100011667805_100000027445 [0,2,0,0,0,0|2,0,0]=4 7645 B16R1.847 CCC(O)CC(=O)CC(=O)c1cccnc1 1458a_100011667805_100015188593 [0,2,0,0,0,0|2,0,0]=4 7646 B16R1.847 CCC(O)CC(=O)CC(=O)c1ccncc1 1458a_100011667805_100000027454 [0,2,0,0,0,0|2,0,0]=4 7647 B16R1.847 CCN(C)CC(=O)CC(=O)c1ccccc1 1458a_100116209913_100000211460 [0,2,0,0,0,0|1,0,0]=3 7648 B16R1.847 CCN(C)CC(=O)CC(=O)c1ccccn1 1458a_100116209913_100000027445 [0,2,0,0,0,0|2,0,0]=4 7649 B16R1.847 CCN(C)CC(=O)CC(=O)c1cccnc1 1458a_100116209913_100015188593 [0,2,0,0,0,0|2,0,0]=4 7650 B16R1.847 CCN(C)CC(=O)CC(=O)c1ccncc1 1458a_100116209913_100000027454 [0,2,0,0,0,0|2,0,0]=4 7651 B16R1.847 CCN(C)CC(=O)NC(=O)c1ccccc1 269982a_100000225621_100000010347 [0,2,0,0,0,0|2,0,0]=4 7652 B16R1.847 COC(=O)CC(=O)CC(=O)c1ccccc1 1458a_100000211351_100000211460 [0,2,0,0,0,0|1,0,1]=4 7653 B16R1.847 COC(=O)NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000010850 [0,2,0,0,0,0|1,0,1]=4 7654 B16R1.1244 C#CCCC(=O)C(C)C(=O)c1ccccc1 1458a_100000692101_100000239700 [0,2,0,0,0,0|1,0,1]=4 7655 B16R1.1244 C#CCNC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000735948 [0,2,0,0,0,0|1,0,1]=4 7656 B16R1.1244 C=CCCC(=O)C(C)C(=O)c1ccccc1 1458a_100000749702_100000239700 [0,2,0,0,0,0|1,0,1]=4 7657 B16R1.1244 C=CCNC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000230288 [0,2,0,0,0,0|1,0,1]=4 7658 B16R1.1244 CC(C(=O)C#CCO)C(=O)c1ccccc1 1458a_100000049017_100000239700 [0,2,0,0,0,0|1,0,1]=4 7659 B16R1.1244 CC(C(=O)CCC#N)C(=O)c1ccccc1 1458a_100011934036_100000239700 [0,2,0,0,0,0|1,0,1]=4 7660 B16R1.1244 CC=CCC(=O)C(C)C(=O)c1ccccc1 1458a_100121576822_100000239700 [0,2,0,0,0,0|1,0,1]=4 7661 B16R1.1244 CCC#CC(=O)C(C)C(=O)c1ccccc1 1458a_100011827653_100000239700 [0,2,0,0,0,0|1,0,0]=3 7662 B16R1.1244 CCC=CC(=O)C(C)C(=O)c1ccccc1 1458a_100000212282_100000239700 [0,2,0,0,0,0|1,0,0]=3 7663 B16R1.1244 CCCCC(=O)C(C)C(=O)c1ccccc1 1458a_100000210183_100000239700 [0,2,0,0,0,0|1,0,0]=3 7664 B16R1.1244 CCCNC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000230305 [0,2,0,0,0,0|1,0,0]=3 7665 B16R1.1244 CCCOC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000760410 [0,2,0,0,0,0|0,0,0]=2 7666 B16R1.1244 CCCOC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100000760410 [0,2,0,0,0,0|2,0,0]=4 7667 B16R1.1244 CCCOC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100000760410 [0,2,0,0,0,0|2,0,0]=4 7668 B16R1.1244 CCCOC(=O)C(C)N(C)c1ccccc1 34a_100000210012_100000760410 [0,2,0,0,0,0|2,0,0]=4 7669 B16R1.1244 CCOCC(=O)C(C)C(=O)c1ccccc1 1458a_100000211967_100000239700 [0,2,0,0,0,0|0,0,0]=2 7670 B16R1.1244 CCSCC(=O)C(C)C(=O)c1ccccc1 1458a_100000230394_100000239700 [0,2,0,0,0,0|0,1,0]=3 7671 B16R1.1244 COC=CC(=O)C(C)C(=O)c1ccccc1 1458a_100016268678_100000239700 [0,2,0,0,0,0|1,0,1]=4 7672 B16R1.1244 COCCC(=O)C(C)C(=O)c1ccccc1 1458a_100000749529_100000239700 [0,2,0,0,0,0|1,0,0]=3 7673 B16R1.1244 CSCCC(=O)C(C)C(=O)c1ccccc1 1458a_100000174002_100000239700 [0,2,0,0,0,0|1,0,0]=3 7674 B16R1.1495 CCC#CC(=O)CS(=O)(=O)c1ccccc1 1458a_100011827653_100000240042 [0,2,0,0,0,0|2,0,0]=4 7675 B16R1.1495 CCC=CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000212282_100000240042 [0,2,0,0,0,0|2,0,0]=4 7676 B16R1.1495 CCCCC(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_100000210211 [0,2,0,0,0,0|2,0,0]=4 7677 B16R1.1495 CCCCC(=O)CS(=O)(=O)c1ccccc1 1458a_100000210183_100000240042 [0,2,0,0,0,0|2,0,0]=4 7678 B16R1.1495 CCCNC(=O)CS(=O)(=O)c1ccccc1 11a_100020643023_100000187771 [0,2,0,0,0,0|2,0,0]=4 7679 B16R1.1495 CCCNC(=O)CS(=O)(=O)c1ccccc1 1626a_100020643023_100000187771 [0,2,0,0,0,0|2,0,0]=4 7680 B16R1.1495 CCCNC(=O)CS(=O)(=O)c1ccccc1 240690a_100020643023_100000187771 [0,2,0,0,0,0|2,0,0]=4 7681 B16R1.1495 CCCNC(=O)CS(=O)(=O)c1ccccc1 527a_100020643023_100000187771 [0,2,0,0,0,0|2,0,0]=4 7682 B16R1.1495 CCNNC(=O)CS(=O)(=O)c1ccccc1 22a_100000756455_100000187771 [0,2,0,0,0,0|2,0,0]=4 7683 B16R1.1495 CCOCC(=O)CS(=O)(=O)c1ccccc1 1458a_100000211967_100000240042 [0,2,0,0,0,0|1,0,0]=3 7684 B16R1.1495 CCOCC(=O)C[Si](C)(C)c1ccccc1 1458a_100000211967_100000038972 [0,2,0,0,0,0|1,1,0]=4 7685 B16R1.1495 CCOCC(=O)NS(=O)(=O)c1ccccc1 2740a_100000164509_100000211967 [0,2,0,0,0,0|2,0,0]=4 7686 B16R1.1495 CCSCC(=O)CS(=O)(=O)c1ccccc1 1458a_100000230394_100000240042 [0,2,0,0,0,0|1,1,0]=4 7687 B16R1.1495 COCCC(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_100000233755 [0,2,0,0,0,0|2,0,0]=4 7688 B16R1.1495 COCCC(=O)CS(=O)(=O)c1ccccc1 1458a_100000749529_100000240042 [0,2,0,0,0,0|2,0,0]=4 7689 B16R1.1495 CSCCC(=O)CS(=O)(=O)c1ccccc1 1458a_100000174002_100000240042 [0,2,0,0,0,0|2,0,0]=4 7690 B16R1.1495 CSCCC(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_100000751147 [0,2,0,0,0,0|2,0,0]=4 7691 B16R1.1495 O=C(CCCF)CS(=O)(=O)c1ccccc1 1458a_100000187771_100011934791 [0,2,0,0,0,0|2,0,0]=4 7692 B16R1.1495 O=C(CCCO)CS(=O)(=O)c1ccccc1 1458a_100000187771_100011215043 [0,2,0,0,0,0|2,0,0]=4 7693 B16R1.1495 O=C(CS(=O)(=O)c1ccccc1)NCCF 11a_100000724931_100000187771 [0,2,0,0,0,0|2,0,0]=4 7694 B16R1.1495 O=C(CS(=O)(=O)c1ccccc1)NCCF 1626a_100000724931_100000187771 [0,2,0,0,0,0|2,0,0]=4 7695 B16R1.1495 O=C(CS(=O)(=O)c1ccccc1)NCCF 240690a_100000724931_100000187771 [0,2,0,0,0,0|2,0,0]=4 7696 B16R1.1495 O=C(CS(=O)(=O)c1ccccc1)NCCF 527a_100000724931_100000187771 [0,2,0,0,0,0|2,0,0]=4 7697 B16R1.1495 O=C(CS(=O)(=O)c1ccccc1)NCCO 240690a_100000210304_100000187771 [0,2,0,0,0,0|2,0,0]=4 7698 B16R1.1495 O=C(CS(=O)(=O)c1ccccc1)NCCO 527a_100000210304_100000187771 [0,2,0,0,0,0|2,0,0]=4 7699 B16R1.4478 CCCOC(=O)CN(CC)c1ccccc1 2230a_100000210013_200011215008 [0,2,0,0,0,0|2,0,0]=4 7700 B16R1.4478 CCCOC(=O)CN(CC)c1ccccc1 269982a_100000210013_200011215008 [0,2,0,0,0,0|2,0,0]=4 7701 B16R1.4478 CCCOC(=O)CN(CC)c1ccccc1 34a_100000210013_200011215008 [0,2,0,0,0,0|2,0,0]=4 7702 B16R1.7010 C#CCCC(=O)CC(=O)c1ccccc1Br 1458a_100000692101_100000199116 [0,2,0,0,0,0|1,0,1]=4 7703 B16R1.7010 C#CCCC(=O)CC(=O)c1ccccc1C 1458a_100000692101_100000741374 [0,2,0,0,0,0|1,0,1]=4 7704 B16R1.7010 C#CCCC(=O)CC(=O)c1ccccc1Cl 1458a_100000692101_100000211432 [0,2,0,0,0,0|1,0,1]=4 7705 B16R1.7010 C#CCCC(=O)CC(=O)c1ccccc1F 1458a_100000692101_100000204681 [0,2,0,0,0,0|1,0,1]=4 7706 B16R1.7010 C#CCCC(=O)CC(=O)c1ccccc1O 1458a_100000692101_100000188908 [0,2,0,0,0,0|1,0,1]=4 7707 B16R1.7010 C=C(CC(=O)c1ccccc1Br)OCOC 1458a_100000188424_100000042856 [0,2,0,0,0,0|1,0,0]=3 7708 B16R1.7010 C=C(CC(=O)c1ccccc1C)OCOC 1458a_100000212026_100000042856 [0,2,0,0,0,0|1,0,0]=3 7709 B16R1.7010 C=C(CC(=O)c1ccccc1Cl)OCOC 1458a_100000185844_100000042856 [0,2,0,0,0,0|1,0,0]=3 7710 B16R1.7010 C=C(CC(=O)c1ccccc1F)OCOC 1458a_100000188656_100000042856 [0,2,0,0,0,0|1,0,0]=3 7711 B16R1.7010 C=C(CC(=O)c1ccccc1I)OCOC 1458a_100000187884_100000042856 [0,2,0,0,0,0|1,0,0]=3 7712 B16R1.7010 C=C(CC(=O)c1ccccc1O)OCOC 1458a_100015234032_100000042856 [0,2,0,0,0,0|1,0,0]=3 7713 B16R1.7010 C=C(CC(=O)c1ccccc1[O-])OCOC 1458a_100009911694_100000042856 [0,2,0,0,0,0|1,0,0]=3 7714 B16R1.7010 C=CCCC(=O)CC(=O)c1ccccc1Br 1458a_100000749702_100000199116 [0,2,0,0,0,0|1,0,1]=4 7715 B16R1.7010 C=CCCC(=O)CC(=O)c1ccccc1C 1458a_100000749702_100000741374 [0,2,0,0,0,0|1,0,1]=4 7716 B16R1.7010 C=CCCC(=O)CC(=O)c1ccccc1Cl 1458a_100000749702_100000211432 [0,2,0,0,0,0|1,0,1]=4 7717 B16R1.7010 C=CCCC(=O)CC(=O)c1ccccc1F 1458a_100000749702_100000204681 [0,2,0,0,0,0|1,0,1]=4 7718 B16R1.7010 C=CCCC(=O)CC(=O)c1ccccc1O 1458a_100000749702_100000188908 [0,2,0,0,0,0|1,0,1]=4 7719 B16R1.7010 C=CCNC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000183597 [0,2,0,0,0,0|1,0,1]=4 7720 B16R1.7010 C=CCNC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000183597 [0,2,0,0,0,0|1,0,1]=4 7721 B16R1.7010 C=CCNC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000183597 [0,2,0,0,0,0|1,0,1]=4 7722 B16R1.7010 C=CCNC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000183597 [0,2,0,0,0,0|1,0,1]=4 7723 B16R1.7010 C=CCNC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000183597 [0,2,0,0,0,0|1,0,1]=4 7724 B16R1.7010 C=CCNC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000183597 [0,2,0,0,0,0|1,0,1]=4 7725 B16R1.7010 C=CCNC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000183597 [0,2,0,0,0,0|1,0,1]=4 7726 B16R1.7010 C=CCOC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000033060 [0,2,0,0,0,0|0,0,1]=3 7727 B16R1.7010 C=CCOC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000033060 [0,2,0,0,0,0|0,0,1]=3 7728 B16R1.7010 C=CCOC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000033060 [0,2,0,0,0,0|0,0,1]=3 7729 B16R1.7010 C=CCOC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000033060 [0,2,0,0,0,0|0,0,1]=3 7730 B16R1.7010 C=CCOC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000033060 [0,2,0,0,0,0|0,0,1]=3 7731 B16R1.7010 C=CCOC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000033060 [0,2,0,0,0,0|0,0,1]=3 7732 B16R1.7010 C=CCOC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000033060 [0,2,0,0,0,0|0,0,1]=3 7733 B16R1.7010 CC=CCC(=O)CC(=O)c1ccccc1Br 1458a_100121576822_100000199116 [0,2,0,0,0,0|1,0,1]=4 7734 B16R1.7010 CC=CCC(=O)CC(=O)c1ccccc1C 1458a_100121576822_100000741374 [0,2,0,0,0,0|1,0,1]=4 7735 B16R1.7010 CC=CCC(=O)CC(=O)c1ccccc1Cl 1458a_100121576822_100000211432 [0,2,0,0,0,0|1,0,1]=4 7736 B16R1.7010 CC=CCC(=O)CC(=O)c1ccccc1F 1458a_100121576822_100000204681 [0,2,0,0,0,0|1,0,1]=4 7737 B16R1.7010 CC=CCC(=O)CC(=O)c1ccccc1O 1458a_100121576822_100000188908 [0,2,0,0,0,0|1,0,1]=4 7738 B16R1.7010 CCC#CC(=O)CC(=O)c1ccccc1Br 1458a_100011827653_100000199116 [0,2,0,0,0,0|1,0,0]=3 7739 B16R1.7010 CCC#CC(=O)CC(=O)c1ccccc1C 1458a_100011827653_100000741374 [0,2,0,0,0,0|1,0,0]=3 7740 B16R1.7010 CCC#CC(=O)CC(=O)c1ccccc1Cl 1458a_100011827653_100000211432 [0,2,0,0,0,0|1,0,0]=3 7741 B16R1.7010 CCC#CC(=O)CC(=O)c1ccccc1F 1458a_100011827653_100000204681 [0,2,0,0,0,0|1,0,0]=3 7742 B16R1.7010 CCC#CC(=O)CC(=O)c1ccccc1O 1458a_100011827653_100000188908 [0,2,0,0,0,0|1,0,0]=3 7743 B16R1.7010 CCC=CC(=O)CC(=O)c1ccccc1Br 1458a_100000212282_100000199116 [0,2,0,0,0,0|1,0,0]=3 7744 B16R1.7010 CCC=CC(=O)CC(=O)c1ccccc1C 1458a_100000212282_100000741374 [0,2,0,0,0,0|1,0,0]=3 7745 B16R1.7010 CCC=CC(=O)CC(=O)c1ccccc1Cl 1458a_100000212282_100000211432 [0,2,0,0,0,0|1,0,0]=3 7746 B16R1.7010 CCC=CC(=O)CC(=O)c1ccccc1F 1458a_100000212282_100000204681 [0,2,0,0,0,0|1,0,0]=3 7747 B16R1.7010 CCC=CC(=O)CC(=O)c1ccccc1O 1458a_100000212282_100000188908 [0,2,0,0,0,0|1,0,0]=3 7748 B16R1.7010 CCCCC(=O)CC(=O)c1ccccc1Br 1458a_100000210183_100000199116 [0,2,0,0,0,0|1,0,0]=3 7749 B16R1.7010 CCCCC(=O)CC(=O)c1ccccc1C 1458a_100000210183_100000741374 [0,2,0,0,0,0|1,0,0]=3 7750 B16R1.7010 CCCCC(=O)CC(=O)c1ccccc1Cl 1458a_100000210183_100000211432 [0,2,0,0,0,0|1,0,0]=3 7751 B16R1.7010 CCCCC(=O)CC(=O)c1ccccc1F 1458a_100000210183_100000204681 [0,2,0,0,0,0|1,0,0]=3 7752 B16R1.7010 CCCCC(=O)CC(=O)c1ccccc1O 1458a_100000210183_100000188908 [0,2,0,0,0,0|1,0,0]=3 7753 B16R1.7010 CCCNC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000183358 [0,2,0,0,0,0|1,0,0]=3 7754 B16R1.7010 CCCNC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000183358 [0,2,0,0,0,0|1,0,0]=3 7755 B16R1.7010 CCCNC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000183358 [0,2,0,0,0,0|1,0,0]=3 7756 B16R1.7010 CCCNC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000183358 [0,2,0,0,0,0|1,0,0]=3 7757 B16R1.7010 CCCNC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000183358 [0,2,0,0,0,0|1,0,0]=3 7758 B16R1.7010 CCCNC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000183358 [0,2,0,0,0,0|1,0,0]=3 7759 B16R1.7010 CCCNC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000183358 [0,2,0,0,0,0|1,0,0]=3 7760 B16R1.7010 CCCOC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_200011215008 [0,2,0,0,0,0|0,0,0]=2 7761 B16R1.7010 CCCOC(=O)CC(=O)c1ccccc1C 1458a_100000212026_200011215008 [0,2,0,0,0,0|0,0,0]=2 7762 B16R1.7010 CCCOC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_200011215008 [0,2,0,0,0,0|0,0,0]=2 7763 B16R1.7010 CCCOC(=O)CC(=O)c1ccccc1F 1458a_100000188656_200011215008 [0,2,0,0,0,0|0,0,0]=2 7764 B16R1.7010 CCCOC(=O)CC(=O)c1ccccc1I 1458a_100000187884_200011215008 [0,2,0,0,0,0|0,0,0]=2 7765 B16R1.7010 CCCOC(=O)CC(=O)c1ccccc1O 1458a_100015234032_200011215008 [0,2,0,0,0,0|0,0,0]=2 7766 B16R1.7010 CCCOC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_200011215008 [0,2,0,0,0,0|0,0,0]=2 7767 B16R1.7010 CCCOC(=O)CN(C)c1ccccc1Br 2230a_100020606079_200011215008 [0,2,0,0,0,0|2,0,0]=4 7768 B16R1.7010 CCCOC(=O)CN(C)c1ccccc1Br 269982a_100020606079_200011215008 [0,2,0,0,0,0|2,0,0]=4 7769 B16R1.7010 CCCOC(=O)CN(C)c1ccccc1Br 34a_100020606079_200011215008 [0,2,0,0,0,0|2,0,0]=4 7770 B16R1.7010 CCCOC(=O)CN(C)c1ccccc1C 2230a_100000219699_200011215008 [0,2,0,0,0,0|2,0,0]=4 7771 B16R1.7010 CCCOC(=O)CN(C)c1ccccc1C 269982a_100000219699_200011215008 [0,2,0,0,0,0|2,0,0]=4 7772 B16R1.7010 CCCOC(=O)CN(C)c1ccccc1C 34a_100000219699_200011215008 [0,2,0,0,0,0|2,0,0]=4 7773 B16R1.7010 CCCOC(=O)CN(C)c1ccccc1Cl 2230a_100000219374_200011215008 [0,2,0,0,0,0|2,0,0]=4 7774 B16R1.7010 CCCOC(=O)CN(C)c1ccccc1Cl 269982a_100000219374_200011215008 [0,2,0,0,0,0|2,0,0]=4 7775 B16R1.7010 CCCOC(=O)CN(C)c1ccccc1Cl 34a_100000219374_200011215008 [0,2,0,0,0,0|2,0,0]=4 7776 B16R1.7010 CCCOC(=O)CN(C)c1ccccc1F 2230a_100000220357_200011215008 [0,2,0,0,0,0|2,0,0]=4 7777 B16R1.7010 CCCOC(=O)CN(C)c1ccccc1F 269982a_100000220357_200011215008 [0,2,0,0,0,0|2,0,0]=4 7778 B16R1.7010 CCCOC(=O)CN(C)c1ccccc1F 34a_100000220357_200011215008 [0,2,0,0,0,0|2,0,0]=4 7779 B16R1.7010 CCCOC(=O)CN(C)c1ccccc1F 38a_100000220357_200011215008 [0,2,0,0,0,0|2,0,0]=4 7780 B16R1.7010 CCCOC(=O)CN(C)c1ccccc1O 269982a_100000033821_200011215008 [0,2,0,0,0,0|2,0,0]=4 7781 B16R1.7010 CCNCC(=O)NC(=O)c1ccccc1Br 2230a_100015525214_100000682895 [0,2,0,0,0,0|2,0,0]=4 7782 B16R1.7010 CCNCC(=O)NC(=O)c1ccccc1Cl 2230a_100015525214_100000010421 [0,2,0,0,0,0|2,0,0]=4 7783 B16R1.7010 CCOCC(=O)CC(=O)c1ccccc1Br 1458a_100000211967_100000199116 [0,2,0,0,0,0|0,0,0]=2 7784 B16R1.7010 CCOCC(=O)CC(=O)c1ccccc1C 1458a_100000211967_100000741374 [0,2,0,0,0,0|0,0,0]=2 7785 B16R1.7010 CCOCC(=O)CC(=O)c1ccccc1Cl 1458a_100000211967_100000211432 [0,2,0,0,0,0|0,0,0]=2 7786 B16R1.7010 CCOCC(=O)CC(=O)c1ccccc1F 1458a_100000211967_100000204681 [0,2,0,0,0,0|0,0,0]=2 7787 B16R1.7010 CCOCC(=O)CC(=O)c1ccccc1O 1458a_100000211967_100000188908 [0,2,0,0,0,0|0,0,0]=2 7788 B16R1.7010 CCSCC(=O)CC(=O)c1ccccc1Br 1458a_100000230394_100000199116 [0,2,0,0,0,0|0,1,0]=3 7789 B16R1.7010 CCSCC(=O)CC(=O)c1ccccc1C 1458a_100000230394_100000741374 [0,2,0,0,0,0|0,1,0]=3 7790 B16R1.7010 CCSCC(=O)CC(=O)c1ccccc1Cl 1458a_100000230394_100000211432 [0,2,0,0,0,0|0,1,0]=3 7791 B16R1.7010 CCSCC(=O)CC(=O)c1ccccc1F 1458a_100000230394_100000204681 [0,2,0,0,0,0|0,1,0]=3 7792 B16R1.7010 CCSCC(=O)CC(=O)c1ccccc1O 1458a_100000230394_100000188908 [0,2,0,0,0,0|0,1,0]=3 7793 B16R1.7010 CCSCC(=O)NC(=O)c1ccccc1Br 62a_100000682895_100000210202 [0,2,0,0,0,0|1,1,0]=4 7794 B16R1.7010 CCSCC(=O)NC(=O)c1ccccc1Cl 62a_100000210202_100000010421 [0,2,0,0,0,0|1,1,0]=4 7795 B16R1.7010 COC=CC(=O)CC(=O)c1ccccc1Br 1458a_100016268678_100000199116 [0,2,0,0,0,0|1,0,1]=4 7796 B16R1.7010 COC=CC(=O)CC(=O)c1ccccc1C 1458a_100016268678_100000741374 [0,2,0,0,0,0|1,0,1]=4 7797 B16R1.7010 COC=CC(=O)CC(=O)c1ccccc1Cl 1458a_100016268678_100000211432 [0,2,0,0,0,0|1,0,1]=4 7798 B16R1.7010 COC=CC(=O)CC(=O)c1ccccc1F 1458a_100016268678_100000204681 [0,2,0,0,0,0|1,0,1]=4 7799 B16R1.7010 COC=CC(=O)CC(=O)c1ccccc1O 1458a_100016268678_100000188908 [0,2,0,0,0,0|1,0,1]=4 7800 B16R1.7010 COCCC(=O)CC(=O)c1ccccc1Br 1458a_100000749529_100000199116 [0,2,0,0,0,0|1,0,0]=3 7801 B16R1.7010 COCCC(=O)CC(=O)c1ccccc1C 1458a_100000749529_100000741374 [0,2,0,0,0,0|1,0,0]=3 7802 B16R1.7010 COCCC(=O)CC(=O)c1ccccc1Cl 1458a_100000749529_100000211432 [0,2,0,0,0,0|1,0,0]=3 7803 B16R1.7010 COCCC(=O)CC(=O)c1ccccc1F 1458a_100000749529_100000204681 [0,2,0,0,0,0|1,0,0]=3 7804 B16R1.7010 COCCC(=O)CC(=O)c1ccccc1O 1458a_100000749529_100000188908 [0,2,0,0,0,0|1,0,0]=3 7805 B16R1.7010 CSCCC(=O)CC(=O)c1ccccc1Br 1458a_100000174002_100000199116 [0,2,0,0,0,0|1,0,0]=3 7806 B16R1.7010 CSCCC(=O)CC(=O)c1ccccc1C 1458a_100000174002_100000741374 [0,2,0,0,0,0|1,0,0]=3 7807 B16R1.7010 CSCCC(=O)CC(=O)c1ccccc1Cl 1458a_100000174002_100000211432 [0,2,0,0,0,0|1,0,0]=3 7808 B16R1.7010 CSCCC(=O)CC(=O)c1ccccc1F 1458a_100000174002_100000204681 [0,2,0,0,0,0|1,0,0]=3 7809 B16R1.7010 CSCCC(=O)CC(=O)c1ccccc1O 1458a_100000174002_100000188908 [0,2,0,0,0,0|1,0,0]=3 7810 B16R1.7010 Cc1ccccc1C(=O)CC(=O)C#CCO 1458a_100000049017_100000741374 [0,2,0,0,0,0|1,0,1]=4 7811 B16R1.7010 Cc1ccccc1C(=O)CC(=O)CCC#N 1458a_100011934036_100000741374 [0,2,0,0,0,0|1,0,1]=4 7812 B16R1.7010 Cc1ccccc1C(=O)CC(=O)NCC#N 1458a_100000212026_100000736037 [0,2,0,0,0,0|1,0,1]=4 7813 B16R1.7010 N#CCCC(=O)CC(=O)c1ccccc1Br 1458a_100011934036_100000199116 [0,2,0,0,0,0|1,0,1]=4 7814 B16R1.7010 N#CCCC(=O)CC(=O)c1ccccc1Cl 1458a_100011934036_100000211432 [0,2,0,0,0,0|1,0,1]=4 7815 B16R1.7010 N#CCCC(=O)CC(=O)c1ccccc1F 1458a_100011934036_100000204681 [0,2,0,0,0,0|1,0,1]=4 7816 B16R1.7010 N#CCCC(=O)CC(=O)c1ccccc1O 1458a_100011934036_100000188908 [0,2,0,0,0,0|1,0,1]=4 7817 B16R1.7010 N#CCNC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000736037 [0,2,0,0,0,0|1,0,1]=4 7818 B16R1.7010 N#CCNC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000736037 [0,2,0,0,0,0|1,0,1]=4 7819 B16R1.7010 N#CCNC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000736037 [0,2,0,0,0,0|1,0,1]=4 7820 B16R1.7010 N#CCNC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000736037 [0,2,0,0,0,0|1,0,1]=4 7821 B16R1.7010 N#CCNC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000736037 [0,2,0,0,0,0|1,0,1]=4 7822 B16R1.7010 N#CCNC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000736037 [0,2,0,0,0,0|1,0,1]=4 7823 B16R1.7010 O=C(C#CCO)CC(=O)c1ccccc1Br 1458a_100000049017_100000199116 [0,2,0,0,0,0|1,0,1]=4 7824 B16R1.7010 O=C(C#CCO)CC(=O)c1ccccc1Cl 1458a_100000049017_100000211432 [0,2,0,0,0,0|1,0,1]=4 7825 B16R1.7010 O=C(C#CCO)CC(=O)c1ccccc1F 1458a_100000049017_100000204681 [0,2,0,0,0,0|1,0,1]=4 7826 B16R1.7010 O=C(C#CCO)CC(=O)c1ccccc1O 1458a_100000049017_100000188908 [0,2,0,0,0,0|1,0,1]=4 7827 B16R1.7611 C=C(C)CCC(=O)CC(=O)c1ccccc1 1458a_200000688413_100000211460 [0,2,0,0,0,0|1,0,0]=3 7828 B16R1.7611 C=C(C)CCC(=O)CC(=O)c1ccccn1 1458a_200000688413_100000027445 [0,2,0,0,0,0|2,0,0]=4 7829 B16R1.7611 C=C(C)CCC(=O)CC(=O)c1cccnc1 1458a_200000688413_100015188593 [0,2,0,0,0,0|2,0,0]=4 7830 B16R1.7611 C=C(C)CCC(=O)CC(=O)c1ccncc1 1458a_200000688413_100000027454 [0,2,0,0,0,0|2,0,0]=4 7831 B16R1.7611 CC(=CCC(=O)CC(=O)c1ccccc1)C 1458a_100011220947_100000211460 [0,2,0,0,0,0|1,0,1]=4 7832 B16R1.7611 CC(=O)NCC(=O)CC(=O)c1ccccc1 1458a_100000194580_100000211460 [0,2,0,0,0,0|1,0,1]=4 7833 B16R1.7611 CC(=O)NNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000181415 [0,2,0,0,0,0|1,0,1]=4 7834 B16R1.7611 CC(=O)OCC(=O)CC(=O)c1ccccc1 1458a_100000183556_100000211460 [0,2,0,0,0,0|0,0,1]=3 7835 B16R1.7611 CC(=O)OCC(=O)CC(=O)c1ccccn1 1458a_100000183556_100000027445 [0,2,0,0,0,0|1,0,1]=4 7836 B16R1.7611 CC(=O)OCC(=O)CC(=O)c1cccnc1 1458a_100000183556_100015188593 [0,2,0,0,0,0|1,0,1]=4 7837 B16R1.7611 CC(=O)OCC(=O)CC(=O)c1ccncc1 1458a_100000183556_100000027454 [0,2,0,0,0,0|1,0,1]=4 7838 B16R1.7611 CC(=O)SCC(=O)CC(=O)c1ccccc1 1458a_100000049016_100000211460 [0,2,0,0,0,0|0,1,1]=4 7839 B16R1.7611 CC(C)C=CC(=O)CC(=O)c1ccccc1 1458a_100016268746_100000211460 [0,2,0,0,0,0|1,0,0]=3 7840 B16R1.7611 CC(C)C=CC(=O)CC(=O)c1ccccn1 1458a_100016268746_100000027445 [0,2,0,0,0,0|2,0,0]=4 7841 B16R1.7611 CC(C)C=CC(=O)CC(=O)c1cccnc1 1458a_100016268746_100015188593 [0,2,0,0,0,0|2,0,0]=4 7842 B16R1.7611 CC(C)C=CC(=O)CC(=O)c1ccncc1 1458a_100016268746_100000027454 [0,2,0,0,0,0|2,0,0]=4 7843 B16R1.7611 CC(C)CCC(=O)CC(=O)c1ccccc1 1458a_100000181311_100000211460 [0,2,0,0,0,0|1,0,0]=3 7844 B16R1.7611 CC(C)CCC(=O)CC(=O)c1ccccn1 1458a_100000181311_100000027445 [0,2,0,0,0,0|2,0,0]=4 7845 B16R1.7611 CC(C)CCC(=O)CC(=O)c1cccnc1 1458a_100000181311_100015188593 [0,2,0,0,0,0|2,0,0]=4 7846 B16R1.7611 CC(C)CCC(=O)CC(=O)c1ccncc1 1458a_100000181311_100000027454 [0,2,0,0,0,0|2,0,0]=4 7847 B16R1.7611 CC(C)CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183291 [0,2,0,0,0,0|1,0,0]=3 7848 B16R1.7611 CC(C)OCC(=O)CC(=O)c1ccccc1 1458a_100000745533_100000211460 [0,2,0,0,0,0|0,0,0]=2 7849 B16R1.7611 CC(C)OCC(=O)CC(=O)c1ccccn1 1458a_100000745533_100000027445 [0,2,0,0,0,0|1,0,0]=3 7850 B16R1.7611 CC(C)OCC(=O)CC(=O)c1cccnc1 1458a_100000745533_100015188593 [0,2,0,0,0,0|1,0,0]=3 7851 B16R1.7611 CC(C)OCC(=O)CC(=O)c1ccncc1 1458a_100000745533_100000027454 [0,2,0,0,0,0|1,0,0]=3 7852 B16R1.7611 CC(C)OCC(=O)CC(=O)c1ncccn1 1458a_100000745533_100020636365 [0,2,0,0,0,0|2,0,0]=4 7853 B16R1.7611 CC(C)OCC(=O)CC(C)c1ccccc1 1458a_100000745533_100000756946 [0,2,0,0,0,0|1,0,1]=4 7854 B16R1.7611 CC(C)OCC(=O)CC(O)c1ccccc1 1458a_100000745533_100000185958 [0,2,0,0,0,0|0,0,2]=4 7855 B16R1.7611 CC(C)OCC(=O)C[C@@H](O)c1ccccc1 1458a_100000745533_100011933945 [0,2,0,0,0,0|0,0,2]=4 7856 B16R1.7611 CC(C)SCC(=O)CC(=O)c1ccccc1 1458a_100000241585_100000211460 [0,2,0,0,0,0|0,1,0]=3 7857 B16R1.7611 CC(C)SCC(=O)CC(=O)c1ccccn1 1458a_100000241585_100000027445 [0,2,0,0,0,0|1,1,0]=4 7858 B16R1.7611 CC(C)SCC(=O)CC(=O)c1cccnc1 1458a_100000241585_100015188593 [0,2,0,0,0,0|1,1,0]=4 7859 B16R1.7611 CC(C)SCC(=O)CC(=O)c1ccncc1 1458a_100000241585_100000027454 [0,2,0,0,0,0|1,1,0]=4 7860 B16R1.7611 CC(C)SCC(=O)NC(=O)c1ccccc1 62a_100000210206_100000010347 [0,2,0,0,0,0|1,1,0]=4 7861 B16R1.7611 C[S+](C)CCC(=O)CC(=O)c1ccccc1 1458a_100009452791_100000211460 [0,2,0,0,0,0|1,0,0]=3 7862 B16R1.7611 C[S+](C)CCC(=O)CC(=O)c1ccccn1 1458a_100009452791_100000027445 [0,2,0,0,0,0|2,0,0]=4 7863 B16R1.7611 C[S+](C)CCC(=O)CC(=O)c1cccnc1 1458a_100009452791_100015188593 [0,2,0,0,0,0|2,0,0]=4 7864 B16R1.7611 C[S+](C)CCC(=O)CC(=O)c1ccncc1 1458a_100009452791_100000027454 [0,2,0,0,0,0|2,0,0]=4 7865 B16R1.7611 NC(=O)CCC(=O)CC(=O)c1ccccc1 1458a_100011215257_100000211460 [0,2,0,0,0,0|1,0,1]=4 7866 B16R1.7611 O=C(CC[N+](=O)[O-])CC(=O)c1ccccc1 1458a_200000064761_100000211460 [0,2,0,0,0,0|2,0,0]=4 7867 B16R1.7611 O=C(COC(F)F)CC(=O)c1ccccc1 1458a_200000719455_100000211460 [0,2,0,0,0,0|1,0,0]=3 7868 B16R1.7611 O=C(COC(F)F)CC(=O)c1ccccn1 1458a_200000719455_100000027445 [0,2,0,0,0,0|2,0,0]=4 7869 B16R1.7611 O=C(COC(F)F)CC(=O)c1cccnc1 1458a_200000719455_100015188593 [0,2,0,0,0,0|2,0,0]=4 7870 B16R1.7611 O=C(COC(F)F)CC(=O)c1ccncc1 1458a_200000719455_100000027454 [0,2,0,0,0,0|2,0,0]=4 7871 B16R1.7611 O=C(CSC(F)F)CC(=O)c1ccccc1 1458a_114828291038_100000211460 [0,2,0,0,0,0|1,1,0]=4 7872 B16R1.1573 CCOC(CC(=O)c1ccccc1)OCC 1458a_100000185807_100000210512 [0,2,0,0,0,0|0,0,2]=4 7873 B16R1.951 CCOC(=O)C(CC)C(=O)c1ccccc1 1458a_100000185807_100000212269 [0,2,0,0,0,0|0,0,0]=2 7874 B16R1.951 CCOC(=O)C(CC)N(C)c1ccccc1 2230a_100000210012_100000212269 [0,2,0,0,0,0|2,0,0]=4 7875 B16R1.951 CCOC(=O)C(CC)N(C)c1ccccc1 269982a_100000210012_100000212269 [0,2,0,0,0,0|2,0,0]=4 7876 B16R1.951 CCOC(=O)C(CC)N(C)c1ccccc1 34a_100000210012_100000212269 [0,2,0,0,0,0|2,0,0]=4 7877 B16R1.951 CCOC(=O)C(SC)C(=O)c1ccccc1 1458a_100000185807_100009893047 [0,2,0,0,0,0|0,0,0]=2 7878 B16R1.951 CCOC(=O)C(SC)C(=O)c1ccccc1 62a_100009991417_200000210301 [0,2,0,0,0,0|0,0,0]=2 7879 B16R1.951 CCOC(=O)C(SC)C(=O)c1ccccc1 62a_200000210301_100009991417 [0,2,0,0,0,0|0,0,0]=2 7880 B16R1.951 CCOC(=O)C(SC)N(C)c1ccccc1 269982a_100000210012_100009893047 [0,2,0,0,0,0|2,0,0]=4 7881 B16R1.951 CCOC(=O)C(SC)N(C)c1ccccc1 34a_100000210012_100009893047 [0,2,0,0,0,0|2,0,0]=4 7882 B16R1.951 CCOC(=O)C(S[13CH3])C(=O)c1ccccc1 62a_100009991417_200025704644 [0,2,0,0,0,0|0,0,0]=2 7883 B16R1.951 CCOC(=O)C(S[13CH3])C(=O)c1ccccc1 62a_200025704644_100009991417 [0,2,0,0,0,0|0,0,0]=2 7884 B16R1.1162 C/C=C(\C)/C(=O)C(C)C(=O)c1ccccc1 1458a_100020587367_100000239700 [0,2,0,0,0,0|1,0,1]=4 7885 B16R1.1162 CC(C(=O)c1ccccc1)C(=O)C(O)CO 1458a_100011215603_100000239700 [0,2,0,0,0,0|2,0,0]=4 7886 B16R1.1162 CCC(C)C(=O)C(C)C(=O)c1ccccc1 1458a_100011192722_100000239700 [0,2,0,0,0,0|1,0,0]=3 7887 B16R1.1162 CCC(O)C(=O)C(C)C(=O)c1ccccc1 1458a_100011196387_100000239700 [0,2,0,0,0,0|1,0,0]=3 7888 B16R1.1162 CCN(C)C(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_200012002205 [0,2,0,0,0,0|1,0,0]=3 7889 B16R1.1162 CNC(=O)C(=O)C(C)C(=O)c1ccccc1 1458a_100011218921_100000239700 [0,2,0,0,0,0|2,0,0]=4 7890 B16R1.1162 COC(C)C(=O)C(C)C(=O)c1ccccc1 1458a_100000743197_100000239700 [0,2,0,0,0,0|2,0,0]=4 7891 B16R1.1162 CSC(C)C(=O)C(C)C(=O)c1ccccc1 1458a_100000149566_100000239700 [0,2,0,0,0,0|2,0,0]=4 7892 B16R1.1290 CC(=CC(=O)C(C)C(=O)c1ccccc1)C 1458a_100000211388_100000239700 [0,2,0,0,0,0|1,0,1]=4 7893 B16R1.1290 CC(=CC(=O)C(C)C(=O)c1ccccc1)Cl 1458a_200042562850_100000239700 [0,2,0,0,0,0|1,0,1]=4 7894 B16R1.1290 CC(=CC(=O)C(C)C(=O)c1ccccc1)I 1458a_100025716642_100000239700 [0,2,0,0,0,0|1,0,1]=4 7895 B16R1.1290 CC(C(=O)CN(C)C)C(=O)c1ccccc1 1458a_100000750896_100000239700 [0,2,0,0,0,0|2,0,0]=4 7896 B16R1.1290 CC(C(=O)C[C@@H](C)O)C(=O)c1ccccc1 1458a_100011933948_100000239700 [0,2,0,0,0,0|1,0,0]=3 7897 B16R1.1290 CC(C(=O)C[S+](C)C)C(=O)c1ccccc1 1458a_200159257847_100000239700 [0,2,0,0,0,0|2,0,0]=4 7898 B16R1.1290 CC(C)CC(=O)C(C)C(=O)c1ccccc1 1458a_100000210554_100000239700 [0,2,0,0,0,0|1,0,0]=3 7899 B16R1.1290 CC(C)NC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000195394 [0,2,0,0,0,0|1,0,0]=3 7900 B16R1.4559 CCOC(=O)C(C)N(CC)c1ccccc1 2230a_100000210013_100011215307 [0,2,0,0,0,0|2,0,0]=4 7901 B16R1.4559 CCOC(=O)C(C)N(CC)c1ccccc1 269982a_100000210013_100011216346 [0,2,0,0,0,0|2,0,0]=4 7902 B16R1.4559 CCOC(=O)C(C)N(CC)c1ccccc1 34a_100000210013_100011216346 [0,2,0,0,0,0|2,0,0]=4 7903 B16R1.4559 CCOC(=O)C(F)N(CC)c1ccccc1 2230a_100000210013_100000760018 [0,2,0,0,0,0|2,0,0]=4 7904 B16R1.4559 CCOC(=O)C(F)N(CC)c1ccccc1 269982a_100000210013_100000760018 [0,2,0,0,0,0|2,0,0]=4 7905 B16R1.4559 CCOC(=O)C(F)N(CC)c1ccccc1 34a_100000210013_100000760018 [0,2,0,0,0,0|2,0,0]=4 7906 B16R1.13247 CC#CC(=O)C(C)C(=O)c1ccccc1Cl 1458a_100000763181_100010255250 [0,2,0,0,0,0|1,0,1]=4 7907 B16R1.13247 CC(C(=O)CCO)C(=O)c1ccccc1Cl 1458a_100011216618_100010255250 [0,2,0,0,0,0|2,0,0]=4 7908 B16R1.13247 CC=CC(=O)C(C)C(=O)c1ccccc1Cl 1458a_100000210699_100010255250 [0,2,0,0,0,0|1,0,1]=4 7909 B16R1.13247 CCCC(=O)C(C)C(=O)c1ccccc1Cl 1458a_100000211992_100010255250 [0,2,0,0,0,0|1,0,0]=3 7910 B16R1.13247 CCNC(=O)C(C)C(=O)c1ccccc1Br 1458a_100000188424_100000230173 [0,2,0,0,0,0|1,0,0]=3 7911 B16R1.13247 CCNC(=O)C(C)C(=O)c1ccccc1C 1458a_100000212026_100000230173 [0,2,0,0,0,0|1,0,0]=3 7912 B16R1.13247 CCNC(=O)C(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000230173 [0,2,0,0,0,0|1,0,0]=3 7913 B16R1.13247 CCNC(=O)C(C)C(=O)c1ccccc1F 1458a_100000188656_100000230173 [0,2,0,0,0,0|1,0,0]=3 7914 B16R1.13247 CCNC(=O)C(C)C(=O)c1ccccc1I 1458a_100000187884_100000230173 [0,2,0,0,0,0|1,0,0]=3 7915 B16R1.13247 CCNC(=O)C(C)C(=O)c1ccccc1O 1458a_100015234032_100000230173 [0,2,0,0,0,0|1,0,0]=3 7916 B16R1.13247 CCNC(=O)C(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000230173 [0,2,0,0,0,0|1,0,0]=3 7917 B16R1.13247 CCOC(=O)C(C)C(=O)c1ccccc1Br 1458a_100000188424_100011216346 [0,2,0,0,0,0|0,0,0]=2 7918 B16R1.13247 CCOC(=O)C(C)C(=O)c1ccccc1C 1458a_100000212026_100011216346 [0,2,0,0,0,0|0,0,0]=2 7919 B16R1.13247 CCOC(=O)C(C)C(=O)c1ccccc1Cl 1458a_100000185844_100011216346 [0,2,0,0,0,0|0,0,0]=2 7920 B16R1.13247 CCOC(=O)C(C)C(=O)c1ccccc1F 1458a_100000188656_100011216346 [0,2,0,0,0,0|0,0,0]=2 7921 B16R1.13247 CCOC(=O)C(C)C(=O)c1ccccc1I 1458a_100000187884_100011216346 [0,2,0,0,0,0|0,0,0]=2 7922 B16R1.13247 CCOC(=O)C(C)C(=O)c1ccccc1O 1458a_100015234032_100011216346 [0,2,0,0,0,0|0,0,0]=2 7923 B16R1.13247 CCOC(=O)C(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100011216346 [0,2,0,0,0,0|0,0,0]=2 7924 B16R1.13247 CCOC(=O)C(C)N(C)c1ccccc1Br 2230a_100020606079_100011215307 [0,2,0,0,0,0|2,0,0]=4 7925 B16R1.13247 CCOC(=O)C(C)N(C)c1ccccc1Br 269982a_100020606079_100011216346 [0,2,0,0,0,0|2,0,0]=4 7926 B16R1.13247 CCOC(=O)C(C)N(C)c1ccccc1Br 34a_100020606079_100011216346 [0,2,0,0,0,0|2,0,0]=4 7927 B16R1.13247 CCOC(=O)C(C)N(C)c1ccccc1C 2230a_100000219699_100011215307 [0,2,0,0,0,0|2,0,0]=4 7928 B16R1.13247 CCOC(=O)C(C)N(C)c1ccccc1C 269982a_100000219699_100011216346 [0,2,0,0,0,0|2,0,0]=4 7929 B16R1.13247 CCOC(=O)C(C)N(C)c1ccccc1C 34a_100000219699_100011216346 [0,2,0,0,0,0|2,0,0]=4 7930 B16R1.13247 CCOC(=O)C(C)N(C)c1ccccc1Cl 2230a_100000219374_100011215307 [0,2,0,0,0,0|2,0,0]=4 7931 B16R1.13247 CCOC(=O)C(C)N(C)c1ccccc1Cl 269982a_100000219374_100011216346 [0,2,0,0,0,0|2,0,0]=4 7932 B16R1.13247 CCOC(=O)C(C)N(C)c1ccccc1Cl 34a_100000219374_100011216346 [0,2,0,0,0,0|2,0,0]=4 7933 B16R1.13247 CCOC(=O)C(C)N(C)c1ccccc1F 2230a_100000220357_100011215307 [0,2,0,0,0,0|2,0,0]=4 7934 B16R1.13247 CCOC(=O)C(C)N(C)c1ccccc1F 269982a_100000220357_100011216346 [0,2,0,0,0,0|2,0,0]=4 7935 B16R1.13247 CCOC(=O)C(C)N(C)c1ccccc1F 34a_100000220357_100011216346 [0,2,0,0,0,0|2,0,0]=4 7936 B16R1.13247 CCOC(=O)C(C)N(C)c1ccccc1O 269982a_100000033821_100011216346 [0,2,0,0,0,0|2,0,0]=4 7937 B16R1.13247 CCOC(=O)C(F)C(=O)c1ccccc1Br 1458a_100000188424_100000760018 [0,2,0,0,0,0|0,0,0]=2 7938 B16R1.13247 CCOC(=O)C(F)C(=O)c1ccccc1C 1458a_100000212026_100000760018 [0,2,0,0,0,0|0,0,0]=2 7939 B16R1.13247 CCOC(=O)C(F)C(=O)c1ccccc1Cl 1458a_100000185844_100000760018 [0,2,0,0,0,0|0,0,0]=2 7940 B16R1.13247 CCOC(=O)C(F)C(=O)c1ccccc1F 1458a_100000188656_100000760018 [0,2,0,0,0,0|0,0,0]=2 7941 B16R1.13247 CCOC(=O)C(F)C(=O)c1ccccc1I 1458a_100000187884_100000760018 [0,2,0,0,0,0|0,0,0]=2 7942 B16R1.13247 CCOC(=O)C(F)C(=O)c1ccccc1O 1458a_100015234032_100000760018 [0,2,0,0,0,0|0,0,0]=2 7943 B16R1.13247 CCOC(=O)C(F)C(=O)c1ccccc1[O-] 1458a_100009911694_100000760018 [0,2,0,0,0,0|0,0,0]=2 7944 B16R1.13247 CCOC(=O)C(F)N(C)c1ccccc1Br 2230a_100020606079_100000760018 [0,2,0,0,0,0|2,0,0]=4 7945 B16R1.13247 CCOC(=O)C(F)N(C)c1ccccc1Br 269982a_100020606079_100000760018 [0,2,0,0,0,0|2,0,0]=4 7946 B16R1.13247 CCOC(=O)C(F)N(C)c1ccccc1Br 34a_100020606079_100000760018 [0,2,0,0,0,0|2,0,0]=4 7947 B16R1.13247 CCOC(=O)C(F)N(C)c1ccccc1C 2230a_100000219699_100000760018 [0,2,0,0,0,0|2,0,0]=4 7948 B16R1.13247 CCOC(=O)C(F)N(C)c1ccccc1C 269982a_100000219699_100000760018 [0,2,0,0,0,0|2,0,0]=4 7949 B16R1.13247 CCOC(=O)C(F)N(C)c1ccccc1C 34a_100000219699_100000760018 [0,2,0,0,0,0|2,0,0]=4 7950 B16R1.13247 CCOC(=O)C(F)N(C)c1ccccc1Cl 2230a_100000219374_100000760018 [0,2,0,0,0,0|2,0,0]=4 7951 B16R1.13247 CCOC(=O)C(F)N(C)c1ccccc1Cl 269982a_100000219374_100000760018 [0,2,0,0,0,0|2,0,0]=4 7952 B16R1.13247 CCOC(=O)C(F)N(C)c1ccccc1Cl 34a_100000219374_100000760018 [0,2,0,0,0,0|2,0,0]=4 7953 B16R1.13247 CCOC(=O)C(F)N(C)c1ccccc1F 2230a_100000220357_100000760018 [0,2,0,0,0,0|2,0,0]=4 7954 B16R1.13247 CCOC(=O)C(F)N(C)c1ccccc1F 269982a_100000220357_100000760018 [0,2,0,0,0,0|2,0,0]=4 7955 B16R1.13247 CCOC(=O)C(F)N(C)c1ccccc1F 34a_100000220357_100000760018 [0,2,0,0,0,0|2,0,0]=4 7956 B16R1.13247 CCOC(=O)C(F)N(C)c1ccccc1O 269982a_100000033821_100000760018 [0,2,0,0,0,0|2,0,0]=4 7957 B16R1.13247 COCC(=O)C(C)C(=O)c1ccccc1Cl 1458a_100000210968_100010255250 [0,2,0,0,0,0|2,0,0]=4 7958 B16R1.13247 CSCC(=O)C(C)C(=O)c1ccccc1Cl 1458a_100000184570_100010255250 [0,2,0,0,0,0|2,0,0]=4 7959 B16R1.15329 CC#CC(=O)C(C)(C)C(=O)c1ccccc1 1458a_100000763181_200009813919 [0,2,0,0,0,0|1,0,1]=4 7960 B16R1.15329 CC(C)(C(=O)CCO)C(=O)c1ccccc1 1458a_100011216618_200009813919 [0,2,0,0,0,0|2,0,0]=4 7961 B16R1.15329 CC=CC(=O)C(C)(C)C(=O)c1ccccc1 1458a_100000210699_200009813919 [0,2,0,0,0,0|1,0,1]=4 7962 B16R1.15329 CCCC(=O)C(C)(C)C(=O)c1ccccc1 1458a_100000211992_200009813919 [0,2,0,0,0,0|1,0,0]=3 7963 B16R1.15329 CCOC(=O)C(C)(C)N(C)c1ccccc1 2230a_100000210012_100011216345 [0,2,0,0,0,0|2,0,0]=4 7964 B16R1.15329 CCOC(=O)C(C)(C)N(C)c1ccccc1 269982a_100000210012_100048669870 [0,2,0,0,0,0|2,0,0]=4 7965 B16R1.15329 CCOC(=O)C(F)(F)N(C)c1ccccc1 269982a_100000210012_100000210910 [0,2,0,0,0,0|2,0,0]=4 7966 B16R1.15329 CCOC(=O)C(F)(F)N(C)c1ccccc1 34a_100000210012_100000210910 [0,2,0,0,0,0|2,0,0]=4 7967 B16R1.15329 COCC(=O)C(C)(C)C(=O)c1ccccc1 1458a_100000210968_200009813919 [0,2,0,0,0,0|2,0,0]=4 7968 B16R1.15329 CSCC(=O)C(C)(C)C(=O)c1ccccc1 1458a_100000184570_200009813919 [0,2,0,0,0,0|2,0,0]=4 7969 B16R1.1658 CCC(C)C(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_100000758301 [0,2,0,0,0,0|2,0,0]=4 7970 B16R1.1658 CCC(C)C(=O)CS(=O)(=O)c1ccccc1 1458a_100011192722_100000240042 [0,2,0,0,0,0|2,0,0]=4 7971 B16R1.1658 CCC(O)C(=O)CS(=O)(=O)c1ccccc1 1458a_100011196387_100000240042 [0,2,0,0,0,0|2,0,0]=4 7972 B16R1.1658 CCN(C)C(=O)CS(=O)(=O)c1ccccc1 11a_100000225621_100000187771 [0,2,0,0,0,0|2,0,0]=4 7973 B16R1.1658 CCN(C)C(=O)CS(=O)(=O)c1ccccc1 1626a_100000225621_100000187771 [0,2,0,0,0,0|2,0,0]=4 7974 B16R1.1658 CCN(C)C(=O)CS(=O)(=O)c1ccccc1 240690a_100000225621_100000187771 [0,2,0,0,0,0|2,0,0]=4 7975 B16R1.1658 CCN(C)C(=O)CS(=O)(=O)c1ccccc1 527a_100000225621_100000187771 [0,2,0,0,0,0|2,0,0]=4 7976 B16R1.6939 CC(C)CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_100000210624 [0,2,0,0,0,0|2,0,0]=4 7977 B16R1.6939 CC(C)CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000210554_100000240042 [0,2,0,0,0,0|2,0,0]=4 7978 B16R1.6939 CC(C)NC(=O)CS(=O)(=O)c1ccccc1 11a_100138425928_100000187771 [0,2,0,0,0,0|2,0,0]=4 7979 B16R1.6939 CC(C)NC(=O)CS(=O)(=O)c1ccccc1 1626a_100138425928_100000187771 [0,2,0,0,0,0|2,0,0]=4 7980 B16R1.6939 CC(C)NC(=O)CS(=O)(=O)c1ccccc1 240690a_100138425928_100000187771 [0,2,0,0,0,0|2,0,0]=4 7981 B16R1.6939 CC(C)NC(=O)CS(=O)(=O)c1ccccc1 527a_100138425928_100000187771 [0,2,0,0,0,0|2,0,0]=4 7982 B16R1.6939 CC(O)CC(=O)CS(=O)(=O)c1ccccc1 1458a_100000187771_100011218427 [0,2,0,0,0,0|2,0,0]=4 7983 B16R1.6939 C[C@@H](O)CC(=O)CS(=O)(=O)c1ccccc1 1458a_100011933948_100000240042 [0,2,0,0,0,0|2,0,0]=4 7984 B16R1.344 CC(C)(CF)C(=O)CC(=O)c1ccccc1 1458a_100000138116_100000211460 [0,2,0,0,0,0|2,0,0]=4 7985 B16R1.344 CC(C)(CO)C(=O)CC(=O)c1ccccc1 1458a_100000749806_100000211460 [0,2,0,0,0,0|2,0,0]=4 7986 B16R1.344 CCC(C)(C)C(=O)CC(=O)c1ccccc1 1458a_100000749717_100000211460 [0,2,0,0,0,0|1,0,0]=3 7987 B16R1.344 CCC(C)(C)C(=O)CC(=O)c1ccccn1 1458a_100000749717_100000027445 [0,2,0,0,0,0|2,0,0]=4 7988 B16R1.344 CCC(C)(C)C(=O)CC(=O)c1cccnc1 1458a_100000749717_100015188593 [0,2,0,0,0,0|2,0,0]=4 7989 B16R1.344 CCC(C)(C)C(=O)CC(=O)c1ccncc1 1458a_100000749717_100000027454 [0,2,0,0,0,0|2,0,0]=4 7990 B16R1.344 CCC(C)(O)C(=O)CC(=O)c1ccccc1 1458a_100011219770_100000211460 [0,2,0,0,0,0|1,0,0]=3 7991 B16R1.344 CCC(C)(O)C(=O)CC(=O)c1ccccn1 1458a_100011219770_100000027445 [0,2,0,0,0,0|2,0,0]=4 7992 B16R1.344 CCC(C)(O)C(=O)CC(=O)c1cccnc1 1458a_100011219770_100015188593 [0,2,0,0,0,0|2,0,0]=4 7993 B16R1.344 CCC(C)(O)C(=O)CC(=O)c1ccncc1 1458a_100011219770_100000027454 [0,2,0,0,0,0|2,0,0]=4 7994 B16R1.344 CCC(F)(F)C(=O)CC(=O)c1ccccc1 1458a_100000061896_100000211460 [0,2,0,0,0,0|1,0,0]=3 7995 B16R1.344 CCC(F)(F)C(=O)CC(=O)c1ccccn1 1458a_100000061896_100000027445 [0,2,0,0,0,0|2,0,0]=4 7996 B16R1.344 CCC(F)(F)C(=O)CC(=O)c1cccnc1 1458a_100000061896_100015188593 [0,2,0,0,0,0|2,0,0]=4 7997 B16R1.344 CCC(F)(F)C(=O)CC(=O)c1ccncc1 1458a_100000061896_100000027454 [0,2,0,0,0,0|2,0,0]=4 7998 B16R1.344 COC(C)(C)C(=O)CC(=O)c1ccccc1 1458a_100000753492_100000211460 [0,2,0,0,0,0|2,0,0]=4 7999 B16R1.344 CSC(F)(F)C(=O)CC(=O)c1ccccc1 62a_100025738277_200000210301 [0,2,0,0,0,0|2,0,0]=4 8000 B16R1.344 CSC(F)(F)C(=O)CC(=O)c1ccccc1 62a_200000210301_100025738277 [0,2,0,0,0,0|2,0,0]=4 8001 B16R1.344 [13CH3]SC(F)(F)C(=O)CC(=O)c1ccccc1 62a_100025738277_200025704644 [0,2,0,0,0,0|2,0,0]=4 8002 B16R1.344 [13CH3]SC(F)(F)C(=O)CC(=O)c1ccccc1 62a_200025704644_100025738277 [0,2,0,0,0,0|2,0,0]=4 8003 B16R1.544 CCC(CC)C(=O)CC(=O)c1ccccc1 1458a_100000211163_100000211460 [0,2,0,0,0,0|1,0,0]=3 8004 B16R1.544 CCC(CC)C(=O)CC(=O)c1ccccn1 1458a_100000211163_100000027445 [0,2,0,0,0,0|2,0,0]=4 8005 B16R1.544 CCC(CC)C(=O)CC(=O)c1cccnc1 1458a_100000211163_100015188593 [0,2,0,0,0,0|2,0,0]=4 8006 B16R1.544 CCC(CC)C(=O)CC(=O)c1ccncc1 1458a_100000211163_100000027454 [0,2,0,0,0,0|2,0,0]=4 8007 B16R1.544 CCC(OC)C(=O)CC(=O)c1ccccc1 1458a_100000747056_100000211460 [0,2,0,0,0,0|1,0,0]=3 8008 B16R1.544 CCC(OC)C(=O)CC(=O)c1ccccn1 1458a_100000747056_100000027445 [0,2,0,0,0,0|2,0,0]=4 8009 B16R1.544 CCC(OC)C(=O)CC(=O)c1cccnc1 1458a_100000747056_100015188593 [0,2,0,0,0,0|2,0,0]=4 8010 B16R1.544 CCC(OC)C(=O)CC(=O)c1ccncc1 1458a_100000747056_100000027454 [0,2,0,0,0,0|2,0,0]=4 8011 B16R1.544 CCN(CC)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100000211521 [0,2,0,0,0,0|1,0,0]=3 8012 B16R1.544 COC(OC)C(=O)CC(=O)c1ccccc1 1458a_100000046285_100000211460 [0,2,0,0,0,0|2,0,0]=4 8013 B16R1.4125 CC(C)C(C)C(=O)CC(=O)c1ccccc1 1458a_100000755409_100000211460 [0,2,0,0,0,0|1,0,0]=3 8014 B16R1.4125 CC(C)C(C)C(=O)CC(=O)c1ccccn1 1458a_100000755409_100000027445 [0,2,0,0,0,0|2,0,0]=4 8015 B16R1.4125 CC(C)C(C)C(=O)CC(=O)c1cccnc1 1458a_100000755409_100015188593 [0,2,0,0,0,0|2,0,0]=4 8016 B16R1.4125 CC(C)C(C)C(=O)CC(=O)c1ccncc1 1458a_100000755409_100000027454 [0,2,0,0,0,0|2,0,0]=4 8017 B16R1.4125 CC(C)N(C)C(=O)CC(=O)c1ccccc1 1458a_100000185807_100000230190 [0,2,0,0,0,0|1,0,0]=3 8018 B16R1.4125 CC(C)[C@@H](O)C(=O)CC(=O)c1ccccc1 1458a_100000691806_100000211460 [0,2,0,0,0,0|1,0,0]=3 8019 B16R1.4125 CC(C)[C@@H](O)C(=O)CC(=O)c1ccccn1 1458a_100000691806_100000027445 [0,2,0,0,0,0|2,0,0]=4 8020 B16R1.4125 CC(C)[C@@H](O)C(=O)CC(=O)c1cccnc1 1458a_100000691806_100015188593 [0,2,0,0,0,0|2,0,0]=4 8021 B16R1.4125 CC(C)[C@@H](O)C(=O)CC(=O)c1ccncc1 1458a_100000691806_100000027454 [0,2,0,0,0,0|2,0,0]=4 8022 B16R1.4125 CN(C)C(=O)C(=O)CC(=O)c1ccccc1 1458a_100011218876_100000211460 [0,2,0,0,0,0|2,0,0]=4 8023 B16R1.4125 C[C@@H](C(=O)CC(=O)c1ccccc1)N(C)C 1458a_100009822176_100000211460 [0,2,0,0,0,0|2,0,0]=4 8024 B16R1.16904 C/C=C(\C)/C(=O)CC(=O)c1ccccc1Br 1458a_100020587367_100000199116 [0,2,0,0,0,0|1,0,1]=4 8025 B16R1.16904 C/C=C(\C)/C(=O)CC(=O)c1ccccc1C 1458a_100020587367_100000741374 [0,2,0,0,0,0|1,0,1]=4 8026 B16R1.16904 C/C=C(\C)/C(=O)CC(=O)c1ccccc1Cl 1458a_100020587367_100000211432 [0,2,0,0,0,0|1,0,1]=4 8027 B16R1.16904 C/C=C(\C)/C(=O)CC(=O)c1ccccc1F 1458a_100020587367_100000204681 [0,2,0,0,0,0|1,0,1]=4 8028 B16R1.16904 C/C=C(\C)/C(=O)CC(=O)c1ccccc1O 1458a_100020587367_100000188908 [0,2,0,0,0,0|1,0,1]=4 8029 B16R1.16904 CCC(C)C(=O)CC(=O)c1ccccc1Br 1458a_100011192722_100000199116 [0,2,0,0,0,0|1,0,0]=3 8030 B16R1.16904 CCC(C)C(=O)CC(=O)c1ccccc1C 1458a_100011192722_100000741374 [0,2,0,0,0,0|1,0,0]=3 8031 B16R1.16904 CCC(C)C(=O)CC(=O)c1ccccc1Cl 1458a_100011192722_100000211432 [0,2,0,0,0,0|1,0,0]=3 8032 B16R1.16904 CCC(C)C(=O)CC(=O)c1ccccc1F 1458a_100011192722_100000204681 [0,2,0,0,0,0|1,0,0]=3 8033 B16R1.16904 CCC(C)C(=O)CC(=O)c1ccccc1O 1458a_100011192722_100000188908 [0,2,0,0,0,0|1,0,0]=3 8034 B16R1.16904 CCC(O)C(=O)CC(=O)c1ccccc1Br 1458a_100011196387_100000199116 [0,2,0,0,0,0|1,0,0]=3 8035 B16R1.16904 CCC(O)C(=O)CC(=O)c1ccccc1C 1458a_100011196387_100000741374 [0,2,0,0,0,0|1,0,0]=3 8036 B16R1.16904 CCC(O)C(=O)CC(=O)c1ccccc1Cl 1458a_100011196387_100000211432 [0,2,0,0,0,0|1,0,0]=3 8037 B16R1.16904 CCC(O)C(=O)CC(=O)c1ccccc1F 1458a_100011196387_100000204681 [0,2,0,0,0,0|1,0,0]=3 8038 B16R1.16904 CCC(O)C(=O)CC(=O)c1ccccc1O 1458a_100011196387_100000188908 [0,2,0,0,0,0|1,0,0]=3 8039 B16R1.16904 CCN(C)C(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100011894763 [0,2,0,0,0,0|1,0,0]=3 8040 B16R1.16904 CCN(C)C(=O)CC(=O)c1ccccc1C 1458a_100000212026_100011894763 [0,2,0,0,0,0|1,0,0]=3 8041 B16R1.16904 CCN(C)C(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100011894763 [0,2,0,0,0,0|1,0,0]=3 8042 B16R1.16904 CCN(C)C(=O)CC(=O)c1ccccc1F 1458a_100000188656_100011894763 [0,2,0,0,0,0|1,0,0]=3 8043 B16R1.16904 CCN(C)C(=O)CC(=O)c1ccccc1I 1458a_100000187884_100011894763 [0,2,0,0,0,0|1,0,0]=3 8044 B16R1.16904 CCN(C)C(=O)CC(=O)c1ccccc1O 1458a_100015234032_100011894763 [0,2,0,0,0,0|1,0,0]=3 8045 B16R1.16904 CCN(C)C(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100011894763 [0,2,0,0,0,0|1,0,0]=3 8046 B16R1.16904 CNC(=O)C(=O)CC(=O)c1ccccc1Br 1458a_100011218921_100000199116 [0,2,0,0,0,0|2,0,0]=4 8047 B16R1.16904 CNC(=O)C(=O)CC(=O)c1ccccc1C 1458a_100011218921_100000741374 [0,2,0,0,0,0|2,0,0]=4 8048 B16R1.16904 CNC(=O)C(=O)CC(=O)c1ccccc1Cl 1458a_100011218921_100000211432 [0,2,0,0,0,0|2,0,0]=4 8049 B16R1.16904 CNC(=O)C(=O)CC(=O)c1ccccc1F 1458a_100011218921_100000204681 [0,2,0,0,0,0|2,0,0]=4 8050 B16R1.16904 CNC(=O)C(=O)CC(=O)c1ccccc1O 1458a_100011218921_100000188908 [0,2,0,0,0,0|2,0,0]=4 8051 B16R1.16904 COC(=O)C(=O)CC(=O)c1ccccc1O 271570a_203496583355_100000743152 [0,2,0,0,0,0|2,0,0]=4 8052 B16R1.16904 COC(C)C(=O)CC(=O)c1ccccc1Br 1458a_100000743197_100000199116 [0,2,0,0,0,0|2,0,0]=4 8053 B16R1.16904 COC(C)C(=O)CC(=O)c1ccccc1C 1458a_100000743197_100000741374 [0,2,0,0,0,0|2,0,0]=4 8054 B16R1.16904 COC(C)C(=O)CC(=O)c1ccccc1Cl 1458a_100000743197_100000211432 [0,2,0,0,0,0|2,0,0]=4 8055 B16R1.16904 COC(C)C(=O)CC(=O)c1ccccc1F 1458a_100000743197_100000204681 [0,2,0,0,0,0|2,0,0]=4 8056 B16R1.16904 COC(C)C(=O)CC(=O)c1ccccc1O 1458a_100000743197_100000188908 [0,2,0,0,0,0|2,0,0]=4 8057 B16R1.16904 CON(C)C(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000764215 [0,2,0,0,0,0|2,0,0]=4 8058 B16R1.16904 CON(C)C(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000764215 [0,2,0,0,0,0|2,0,0]=4 8059 B16R1.16904 CON(C)C(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000764215 [0,2,0,0,0,0|2,0,0]=4 8060 B16R1.16904 CON(C)C(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000764215 [0,2,0,0,0,0|2,0,0]=4 8061 B16R1.16904 CON(C)C(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000764215 [0,2,0,0,0,0|2,0,0]=4 8062 B16R1.16904 CON(C)C(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000764215 [0,2,0,0,0,0|2,0,0]=4 8063 B16R1.16904 CON(C)C(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000764215 [0,2,0,0,0,0|2,0,0]=4 8064 B16R1.16904 CSC(C)C(=O)CC(=O)c1ccccc1Br 1458a_100000149566_100000199116 [0,2,0,0,0,0|2,0,0]=4 8065 B16R1.16904 CSC(C)C(=O)CC(=O)c1ccccc1C 1458a_100000149566_100000741374 [0,2,0,0,0,0|2,0,0]=4 8066 B16R1.16904 CSC(C)C(=O)CC(=O)c1ccccc1Cl 1458a_100000149566_100000211432 [0,2,0,0,0,0|2,0,0]=4 8067 B16R1.16904 CSC(C)C(=O)CC(=O)c1ccccc1F 1458a_100000149566_100000204681 [0,2,0,0,0,0|2,0,0]=4 8068 B16R1.16904 CSC(C)C(=O)CC(=O)c1ccccc1O 1458a_100000149566_100000188908 [0,2,0,0,0,0|2,0,0]=4 8069 B16R1.16904 Cc1ccccc1C(=O)CC(=O)C(O)CO 1458a_100011215603_100000741374 [0,2,0,0,0,0|2,0,0]=4 8070 B16R1.16904 O=C(CC(=O)C(O)CO)c1ccccc1Br 1458a_100011215603_100000199116 [0,2,0,0,0,0|2,0,0]=4 8071 B16R1.16904 O=C(CC(=O)C(O)CO)c1ccccc1Cl 1458a_100011215603_100000211432 [0,2,0,0,0,0|2,0,0]=4 8072 B16R1.16904 O=C(CC(=O)C(O)CO)c1ccccc1F 1458a_100011215603_100000204681 [0,2,0,0,0,0|2,0,0]=4 8073 B16R1.16904 O=C(CC(=O)C(O)CO)c1ccccc1O 1458a_100011215603_100000188908 [0,2,0,0,0,0|2,0,0]=4 8074 B16R1.626 CCN(CC(=O)OC(C)C)c1ccccc1 2230a_100000210013_100011215430 [0,2,0,0,0,0|2,0,0]=4 8075 B16R1.626 CCN(CC(=O)OC(C)C)c1ccccc1 269982a_100000210013_100011215430 [0,2,0,0,0,0|2,0,0]=4 8076 B16R1.626 CCN(CC(=O)OC(C)C)c1ccccc1 34a_100000210013_100011215430 [0,2,0,0,0,0|2,0,0]=4 8077 B16R1.6742 CC(C)(C)CC(=O)CC(=O)c1ccccc1 1458a_100000211214_100000211460 [0,2,0,0,0,0|1,0,0]=3 8078 B16R1.6742 CC(C)(C)CC(=O)CC(=O)c1ccccn1 1458a_100000211214_100000027445 [0,2,0,0,0,0|2,0,0]=4 8079 B16R1.6742 CC(C)(C)CC(=O)CC(=O)c1cccnc1 1458a_100000211214_100015188593 [0,2,0,0,0,0|2,0,0]=4 8080 B16R1.6742 CC(C)(C)CC(=O)CC(=O)c1ccncc1 1458a_100000211214_100000027454 [0,2,0,0,0,0|2,0,0]=4 8081 B16R1.6742 CC(C)(C)NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000182746 [0,2,0,0,0,0|1,0,0]=3 8082 B16R1.6742 CC(C)(C)OC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183872 [0,2,0,0,0,0|0,0,0]=2 8083 B16R1.6742 CC(C)(O)CC(=O)CC(=O)c1ccccc1 1458a_100000693243_100000211460 [0,2,0,0,0,0|1,0,0]=3 8084 B16R1.6742 CC(C)(O)CC(=O)CC(=O)c1ccccn1 1458a_100000693243_100000027445 [0,2,0,0,0,0|2,0,0]=4 8085 B16R1.6742 CC(C)(O)CC(=O)CC(=O)c1cccnc1 1458a_100000693243_100015188593 [0,2,0,0,0,0|2,0,0]=4 8086 B16R1.6742 CC(C)(O)CC(=O)CC(=O)c1ccncc1 1458a_100000693243_100000027454 [0,2,0,0,0,0|2,0,0]=4 8087 B16R1.6742 CN(CC(=O)OC(C)(C)C)c1ccccc1 2230a_100000210012_100000183872 [0,2,0,0,0,0|2,0,0]=4 8088 B16R1.6742 CN(CC(=O)OC(C)(C)C)c1ccccc1 34a_100000210012_100000183872 [0,2,0,0,0,0|2,0,0]=4 8089 B16R1.6742 CS(=O)(=O)CC(=O)CC(=O)c1ccccc1 1458a_100000744497_100000211460 [0,2,0,0,0,0|2,0,0]=4 8090 B16R1.6742 CS(=O)(=O)NC(=O)CC(=O)c1ccccc1 1458a_100000185807_100009907230 [0,2,0,0,0,0|2,0,0]=4 8091 B16R1.6742 C[N+](C)(C)CC(=O)CC(=O)c1ccccc1 1458a_100000033712_100000211460 [0,2,0,0,0,0|2,0,0]=4 8092 B16R1.6742 C[Si](C)(C)CC(=O)CC(=O)c1ccccc1 1458a_100011218504_100000211460 [0,2,0,0,0,0|1,1,0]=4 8093 B16R1.6742 C[Si](C)(C)OC(=O)CC(=O)c1ccccc1 1458a_100000185807_200009813336 [0,2,0,0,0,0|0,1,0]=3 8094 B16R1.6742 O=C(CC(=O)c1ccccc1)CC(F)(F)F 1458a_100000245130_100000211460 [0,2,0,0,0,0|2,0,0]=4 8095 B16R1.7437 CC(=CC(=O)CC(=O)c1ccccc1Br)C 1458a_100000211388_100000199116 [0,2,0,0,0,0|1,0,1]=4 8096 B16R1.7437 CC(=CC(=O)CC(=O)c1ccccc1Br)Cl 1458a_200042562850_100000199116 [0,2,0,0,0,0|1,0,1]=4 8097 B16R1.7437 CC(=CC(=O)CC(=O)c1ccccc1Br)I 1458a_100025716642_100000199116 [0,2,0,0,0,0|1,0,1]=4 8098 B16R1.7437 CC(=CC(=O)CC(=O)c1ccccc1C)C 1458a_100000211388_100000741374 [0,2,0,0,0,0|1,0,1]=4 8099 B16R1.7437 CC(=CC(=O)CC(=O)c1ccccc1C)Cl 1458a_200042562850_100000741374 [0,2,0,0,0,0|1,0,1]=4 8100 B16R1.7437 CC(=CC(=O)CC(=O)c1ccccc1C)I 1458a_100025716642_100000741374 [0,2,0,0,0,0|1,0,1]=4 8101 B16R1.7437 CC(=CC(=O)CC(=O)c1ccccc1Cl)C 1458a_100000211388_100000211432 [0,2,0,0,0,0|1,0,1]=4 8102 B16R1.7437 CC(=CC(=O)CC(=O)c1ccccc1Cl)Cl 1458a_200042562850_100000211432 [0,2,0,0,0,0|1,0,1]=4 8103 B16R1.7437 CC(=CC(=O)CC(=O)c1ccccc1Cl)I 1458a_100025716642_100000211432 [0,2,0,0,0,0|1,0,1]=4 8104 B16R1.7437 CC(=CC(=O)CC(=O)c1ccccc1F)C 1458a_100000211388_100000204681 [0,2,0,0,0,0|1,0,1]=4 8105 B16R1.7437 CC(=CC(=O)CC(=O)c1ccccc1F)Cl 1458a_200042562850_100000204681 [0,2,0,0,0,0|1,0,1]=4 8106 B16R1.7437 CC(=CC(=O)CC(=O)c1ccccc1F)I 1458a_100025716642_100000204681 [0,2,0,0,0,0|1,0,1]=4 8107 B16R1.7437 CC(=CC(=O)CC(=O)c1ccccc1O)C 1458a_100000211388_100000188908 [0,2,0,0,0,0|1,0,1]=4 8108 B16R1.7437 CC(=CC(=O)CC(=O)c1ccccc1O)Cl 1458a_200042562850_100000188908 [0,2,0,0,0,0|1,0,1]=4 8109 B16R1.7437 CC(=CC(=O)CC(=O)c1ccccc1O)I 1458a_100025716642_100000188908 [0,2,0,0,0,0|1,0,1]=4 8110 B16R1.7437 CC(=O)NC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000183797 [0,2,0,0,0,0|1,0,1]=4 8111 B16R1.7437 CC(=O)NC(=O)CC(=O)c1ccccc1C 1458a_100000212026_100000183797 [0,2,0,0,0,0|1,0,1]=4 8112 B16R1.7437 CC(=O)NC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000183797 [0,2,0,0,0,0|1,0,1]=4 8113 B16R1.7437 CC(=O)NC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000183797 [0,2,0,0,0,0|1,0,1]=4 8114 B16R1.7437 CC(=O)NC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000183797 [0,2,0,0,0,0|1,0,1]=4 8115 B16R1.7437 CC(=O)NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000183797 [0,2,0,0,0,0|1,0,1]=4 8116 B16R1.7437 CC(=O)NC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000183797 [0,2,0,0,0,0|1,0,1]=4 8117 B16R1.7437 CC(C)CC(=O)CC(=O)c1ccccc1Br 1458a_100000210554_100000199116 [0,2,0,0,0,0|1,0,0]=3 8118 B16R1.7437 CC(C)CC(=O)CC(=O)c1ccccc1Cl 1458a_100000210554_100000211432 [0,2,0,0,0,0|1,0,0]=3 8119 B16R1.7437 CC(C)CC(=O)CC(=O)c1ccccc1F 1458a_100000210554_100000204681 [0,2,0,0,0,0|1,0,0]=3 8120 B16R1.7437 CC(C)CC(=O)CC(=O)c1ccccc1O 1458a_100000210554_100000188908 [0,2,0,0,0,0|1,0,0]=3 8121 B16R1.7437 CC(C)NC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100000183996 [0,2,0,0,0,0|1,0,0]=3 8122 B16R1.7437 CC(C)NC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100000183996 [0,2,0,0,0,0|1,0,0]=3 8123 B16R1.7437 CC(C)NC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100000183996 [0,2,0,0,0,0|1,0,0]=3 8124 B16R1.7437 CC(C)NC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100000183996 [0,2,0,0,0,0|1,0,0]=3 8125 B16R1.7437 CC(C)NC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100000183996 [0,2,0,0,0,0|1,0,0]=3 8126 B16R1.7437 CC(C)NC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100000183996 [0,2,0,0,0,0|1,0,0]=3 8127 B16R1.7437 CC(C)OC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_100011215430 [0,2,0,0,0,0|0,0,0]=2 8128 B16R1.7437 CC(C)OC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_100011215430 [0,2,0,0,0,0|0,0,0]=2 8129 B16R1.7437 CC(C)OC(=O)CC(=O)c1ccccc1F 1458a_100000188656_100011215430 [0,2,0,0,0,0|0,0,0]=2 8130 B16R1.7437 CC(C)OC(=O)CC(=O)c1ccccc1I 1458a_100000187884_100011215430 [0,2,0,0,0,0|0,0,0]=2 8131 B16R1.7437 CC(C)OC(=O)CC(=O)c1ccccc1O 1458a_100015234032_100011215430 [0,2,0,0,0,0|0,0,0]=2 8132 B16R1.7437 CC(C)OC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_100011215430 [0,2,0,0,0,0|0,0,0]=2 8133 B16R1.7437 CC(C)OC(=O)CN(C)c1ccccc1Br 2230a_100020606079_100011215430 [0,2,0,0,0,0|2,0,0]=4 8134 B16R1.7437 CC(C)OC(=O)CN(C)c1ccccc1Br 269982a_100020606079_100011215430 [0,2,0,0,0,0|2,0,0]=4 8135 B16R1.7437 CC(C)OC(=O)CN(C)c1ccccc1Br 34a_100020606079_100011215430 [0,2,0,0,0,0|2,0,0]=4 8136 B16R1.7437 CC(C)OC(=O)CN(C)c1ccccc1Cl 2230a_100000219374_100011215430 [0,2,0,0,0,0|2,0,0]=4 8137 B16R1.7437 CC(C)OC(=O)CN(C)c1ccccc1Cl 269982a_100000219374_100011215430 [0,2,0,0,0,0|2,0,0]=4 8138 B16R1.7437 CC(C)OC(=O)CN(C)c1ccccc1Cl 34a_100000219374_100011215430 [0,2,0,0,0,0|2,0,0]=4 8139 B16R1.7437 CC(C)OC(=O)CN(C)c1ccccc1F 2230a_100000220357_100011215430 [0,2,0,0,0,0|2,0,0]=4 8140 B16R1.7437 CC(C)OC(=O)CN(C)c1ccccc1F 269982a_100000220357_100011215430 [0,2,0,0,0,0|2,0,0]=4 8141 B16R1.7437 CC(C)OC(=O)CN(C)c1ccccc1F 34a_100000220357_100011215430 [0,2,0,0,0,0|2,0,0]=4 8142 B16R1.7437 CC(C)OC(=O)CN(C)c1ccccc1O 269982a_100000033821_100011215430 [0,2,0,0,0,0|2,0,0]=4 8143 B16R1.7437 CN(C)CC(=O)CC(=O)c1ccccc1Br 1458a_100000750896_100000199116 [0,2,0,0,0,0|2,0,0]=4 8144 B16R1.7437 CN(C)CC(=O)CC(=O)c1ccccc1Cl 1458a_100000750896_100000211432 [0,2,0,0,0,0|2,0,0]=4 8145 B16R1.7437 CN(C)CC(=O)CC(=O)c1ccccc1F 1458a_100000750896_100000204681 [0,2,0,0,0,0|2,0,0]=4 8146 B16R1.7437 CN(C)CC(=O)CC(=O)c1ccccc1O 1458a_100000750896_100000188908 [0,2,0,0,0,0|2,0,0]=4 8147 B16R1.7437 C[C@@H](O)CC(=O)CC(=O)c1ccccc1Br 1458a_100011933948_100000199116 [0,2,0,0,0,0|1,0,0]=3 8148 B16R1.7437 C[C@@H](O)CC(=O)CC(=O)c1ccccc1Cl 1458a_100011933948_100000211432 [0,2,0,0,0,0|1,0,0]=3 8149 B16R1.7437 C[C@@H](O)CC(=O)CC(=O)c1ccccc1F 1458a_100011933948_100000204681 [0,2,0,0,0,0|1,0,0]=3 8150 B16R1.7437 C[C@@H](O)CC(=O)CC(=O)c1ccccc1O 1458a_100011933948_100000188908 [0,2,0,0,0,0|1,0,0]=3 8151 B16R1.7437 C[S+](C)CC(=O)CC(=O)c1ccccc1Br 1458a_200159257847_100000199116 [0,2,0,0,0,0|2,0,0]=4 8152 B16R1.7437 C[S+](C)CC(=O)CC(=O)c1ccccc1Cl 1458a_200159257847_100000211432 [0,2,0,0,0,0|2,0,0]=4 8153 B16R1.7437 C[S+](C)CC(=O)CC(=O)c1ccccc1F 1458a_200159257847_100000204681 [0,2,0,0,0,0|2,0,0]=4 8154 B16R1.7437 C[S+](C)CC(=O)CC(=O)c1ccccc1O 1458a_200159257847_100000188908 [0,2,0,0,0,0|2,0,0]=4 8155 B16R1.7437 Cc1ccccc1C(=O)CC(=O)CC(C)C 1458a_100000210554_100000741374 [0,2,0,0,0,0|1,0,0]=3 8156 B16R1.7437 Cc1ccccc1C(=O)CC(=O)CN(C)C 1458a_100000750896_100000741374 [0,2,0,0,0,0|2,0,0]=4 8157 B16R1.7437 Cc1ccccc1C(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000741374 [0,2,0,0,0,0|1,0,0]=3 8158 B16R1.7437 Cc1ccccc1C(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000741374 [0,2,0,0,0,0|2,0,0]=4 8159 B16R1.7437 Cc1ccccc1C(=O)CC(=O)NC(C)C 1458a_100000212026_100000183996 [0,2,0,0,0,0|1,0,0]=3 8160 B16R1.7437 Cc1ccccc1C(=O)CC(=O)OC(C)C 1458a_100000212026_100011215430 [0,2,0,0,0,0|0,0,0]=2 8161 B16R1.7437 Cc1ccccc1N(C)CC(=O)OC(C)C 2230a_100000219699_100011215430 [0,2,0,0,0,0|2,0,0]=4 8162 B16R1.7437 Cc1ccccc1N(C)CC(=O)OC(C)C 269982a_100000219699_100011215430 [0,2,0,0,0,0|2,0,0]=4 8163 B16R1.7437 Cc1ccccc1N(C)CC(=O)OC(C)C 34a_100000219699_100011215430 [0,2,0,0,0,0|2,0,0]=4 8164 B16R1.2049 CCOC(=O)CC(C#N)c1ccccc1O 271570a_203496583355_200030968752 [0,2,0,0,0,0|1,0,1]=4 8165 B16R1.2049 CCOC(=O)CN(CC)c1ccccc1Br 2230a_114873767003_100000188475 [0,2,0,0,0,0|2,0,0]=4 8166 B16R1.2049 CCOC(=O)CN(CC)c1ccccc1Br 269982a_114873767003_100000188475 [0,2,0,0,0,0|2,0,0]=4 8167 B16R1.2049 CCOC(=O)CN(CC)c1ccccc1Br 34a_114873767003_100000188475 [0,2,0,0,0,0|2,0,0]=4 8168 B16R1.2049 CCOC(=O)CN(CC)c1ccccc1C 2230a_100000211084_100000188475 [0,2,0,0,0,0|2,0,0]=4 8169 B16R1.2049 CCOC(=O)CN(CC)c1ccccc1C 2230a_200000219698_100000210202 [0,2,0,0,0,0|2,0,0]=4 8170 B16R1.2049 CCOC(=O)CN(CC)c1ccccc1C 269982a_100000211084_100000188475 [0,2,0,0,0,0|2,0,0]=4 8171 B16R1.2049 CCOC(=O)CN(CC)c1ccccc1C 269982a_200000219698_100000204670 [0,2,0,0,0,0|2,0,0]=4 8172 B16R1.2049 CCOC(=O)CN(CC)c1ccccc1C 34a_100000211084_100000188475 [0,2,0,0,0,0|2,0,0]=4 8173 B16R1.2049 CCOC(=O)CN(CC)c1ccccc1Cl 269982a_200000219373_100000204670 [0,2,0,0,0,0|2,0,0]=4 8174 B16R1.2049 CCOC(=O)CN(CC)c1ccccc1F 2230a_100000220365_100000188475 [0,2,0,0,0,0|2,0,0]=4 8175 B16R1.2049 CCOC(=O)CN(CC)c1ccccc1F 269982a_100000220356_100000204670 [0,2,0,0,0,0|2,0,0]=4 8176 B16R1.2049 CCOC(=O)CN(CC)c1ccccc1F 269982a_100000220365_100000188475 [0,2,0,0,0,0|2,0,0]=4 8177 B16R1.2049 CCOC(=O)CN(CC)c1ccccc1F 34a_100000220365_100000188475 [0,2,0,0,0,0|2,0,0]=4 8178 B16R1.2049 CCOC(=O)CN(CC)c1ccccc1O 269982a_103624766699_100000188475 [0,2,0,0,0,0|2,0,0]=4 8179 B16R1.2049 CCOC(=O)CN(CF)c1ccccc1C 269982a_200000219698_100015361967 [0,2,0,0,0,0|2,0,0]=4 8180 B16R1.2049 CCOC(=O)CN(CF)c1ccccc1Cl 269982a_200000219373_100015361967 [0,2,0,0,0,0|2,0,0]=4 8181 B16R1.2049 CCOC(=O)CN(CF)c1ccccc1F 269982a_100000220356_100015361967 [0,2,0,0,0,0|2,0,0]=4 8182 B16R1.15557 C#CCN(CC(=O)OCC)c1ccccc1 2230a_100000219562_100000038162 [0,2,0,0,0,0|2,0,0]=4 8183 B16R1.15557 C=CCN(CC(=O)OCC)c1ccccc1 2230a_100000211662_100000188475 [0,2,0,0,0,0|2,0,0]=4 8184 B16R1.15557 C=CCN(CC(=O)OCC)c1ccccc1 2230a_100000219562_100000210623 [0,2,0,0,0,0|2,0,0]=4 8185 B16R1.15557 C=CCN(CC(=O)OCC)c1ccccc1 269982a_100000211662_100000188475 [0,2,0,0,0,0|2,0,0]=4 8186 B16R1.15557 C=CCN(CC(=O)OCC)c1ccccc1 269982a_100000219562_100000210623 [0,2,0,0,0,0|2,0,0]=4 8187 B16R1.15557 C=CCN(CC(=O)OCC)c1ccccc1 34a_100000211662_100000188475 [0,2,0,0,0,0|2,0,0]=4 8188 B16R1.15557 CCCN(CC(=O)OCC)c1ccccc1 2230a_100000219562_100000210303 [0,2,0,0,0,0|2,0,0]=4 8189 B16R1.15557 CCCN(CC(=O)OCC)c1ccccc1 2230a_200011218496_100000188475 [0,2,0,0,0,0|2,0,0]=4 8190 B16R1.15557 CCCN(CC(=O)OCC)c1ccccc1 269982a_100000219562_100000210303 [0,2,0,0,0,0|2,0,0]=4 8191 B16R1.15557 CCCN(CC(=O)OCC)c1ccccc1 269982a_200011218496_100000188475 [0,2,0,0,0,0|2,0,0]=4 8192 B16R1.15557 CCCN(CC(=O)OCC)c1ccccc1 34a_200011218496_100000188475 [0,2,0,0,0,0|2,0,0]=4 8193 B16R1.15557 CCOC(=O)CC(OCC)c1ccccc1 7a_100000756809_100000210202 [0,2,0,0,0,0|0,0,2]=4 8194 B16R1.15557 CCOC(=O)CC(OCF)c1ccccc1 7a_100000756809_100015361967 [0,2,0,0,0,0|0,0,2]=4 8195 B16R1.15557 CCOC(=O)CN(CC#N)c1ccccc1 2230a_100000219562_100011215382 [0,2,0,0,0,0|2,0,0]=4 8196 B16R1.15557 CCOC(=O)CN(CC#N)c1ccccc1 269982a_100000219562_100011214920 [0,2,0,0,0,0|2,0,0]=4 8197 B16R1.15557 CCOC(=O)CN(CC=O)c1ccccc1 2230a_100000219562_200015260668 [0,2,0,0,0,0|1,0,0]=3 8198 B16R1.15557 CCOC(=O)CN(CC=O)c1ccccc1 269982a_100000219562_200015260668 [0,2,0,0,0,0|1,0,0]=3 8199 B16R1.15557 CCOC(=O)CN(CCF)c1ccccc1 2230a_100000219562_100011217306 [0,2,0,0,0,0|2,0,0]=4 8200 B16R1.15557 CCOC(=O)CN(CCF)c1ccccc1 269982a_100000219562_100011217306 [0,2,0,0,0,0|2,0,0]=4 8201 B16R1.15557 CCOC(=O)CN(CCO)c1ccccc1 2230a_100000211345_100000188475 [0,2,0,0,0,0|1,0,1]=4 8202 B16R1.15557 CCOC(=O)CN(CCO)c1ccccc1 2230a_100000219562_100000211926 [0,2,0,0,0,0|1,0,1]=4 8203 B16R1.15557 CCOC(=O)CN(CCO)c1ccccc1 269982a_100000211345_100000188475 [0,2,0,0,0,0|1,0,1]=4 8204 B16R1.15557 CCOC(=O)CN(CCO)c1ccccc1 269982a_100000219562_100000211926 [0,2,0,0,0,0|1,0,1]=4 8205 B16R1.15557 CCOC(=O)CN(CCO)c1ccccc1 34a_100000211345_100000188475 [0,2,0,0,0,0|1,0,1]=4 8206 B16R1.15557 CCOC(=O)CN(COC)c1ccccc1 2230a_100000219562_100000766300 [0,2,0,0,0,0|1,0,1]=4 8207 B16R1.15557 CCOC(=O)CN(COC)c1ccccc1 269982a_100000219562_100000766300 [0,2,0,0,0,0|1,0,1]=4 8208 B16R1.15557 CCOC(=O)CN(CSC)c1ccccc1 2230a_100000219562_100011218213 [0,2,0,0,0,0|1,1,0]=4 8209 B16R1.15557 CCOC(=O)CN(CSC)c1ccccc1 269982a_100000219562_100011218213 [0,2,0,0,0,0|1,1,0]=4 8210 B16R1.15562 CCCC(=O)CN(C(=O)C)c1ccccc1 1458a_100000188139_100000210303 [0,2,0,0,0,0|2,0,0]=4 8211 B16R1.15562 CCNC(=O)CN(C(=O)C)c1ccccc1 11a_100015525214_100000188139 [0,2,0,0,0,0|2,0,0]=4 8212 B16R1.15562 CCNC(=O)CN(C(=O)C)c1ccccc1 240690a_100015525214_100000188139 [0,2,0,0,0,0|2,0,0]=4 8213 B16R1.15562 CCOC(=O)CN(C(=O)C)c1ccccc1 11a_100000219562_100015343762 [0,2,0,0,0,0|1,0,0]=3 8214 B16R1.15562 CCOC(=O)CN(C(=O)C)c1ccccc1 1626a_100000219562_100015343762 [0,2,0,0,0,0|1,0,0]=3 8215 B16R1.15562 CCOC(=O)CN(c1ccccc1)C(C)C 2230a_100000210572_100000188475 [0,2,0,0,0,0|2,0,0]=4 8216 B16R1.15562 CCOC(=O)CN(c1ccccc1)C(C)C 2230a_100000219562_100000210206 [0,2,0,0,0,0|2,0,0]=4 8217 B16R1.15562 CCOC(=O)CN(c1ccccc1)C(C)C 269982a_100000210572_100000188475 [0,2,0,0,0,0|2,0,0]=4 8218 B16R1.15562 CCOC(=O)CN(c1ccccc1)C(C)C 269982a_100000219562_100000210206 [0,2,0,0,0,0|2,0,0]=4 8219 B16R1.15562 CCOC(=O)CN(c1ccccc1)C(C)C 34a_100000210572_100000188475 [0,2,0,0,0,0|2,0,0]=4 8220 B16R1.15562 CCOC(=O)CN(c1ccccc1)C(C)C 7a_100000210572_100000188475 [0,2,0,0,0,0|2,0,0]=4 8221 B16R1.15562 CCOC(=O)N[C@H](C(=O)C)c1ccccc1 1458a_200012355117_200000210301 [0,2,0,0,0,0|1,0,1]=4 8222 B16R1.15562 CCOC(=O)N[C@H](C(=O)[13CH3])c1ccccc1 1458a_200012355117_200025704644 [0,2,0,0,0,0|1,0,1]=4 8223 B16R1.4229 C#Cc1ccccc1C(=O)CC(=O)CCC 1458a_100011243808_100000747444 [0,2,0,0,0,0|1,0,0]=3 8224 B16R1.4229 C#Cc1ccccc1C(=O)CC(=O)NCC 1458a_100011243808_100000183381 [0,2,0,0,0,0|1,0,0]=3 8225 B16R1.4229 C#Cc1ccccc1C(=O)CC(=O)NCO 1458a_100011243808_100000185155 [0,2,0,0,0,0|2,0,0]=4 8226 B16R1.4229 C#Cc1ccccc1C(=O)CC(=O)OC=C 1458a_100011243808_100000036128 [0,2,0,0,0,0|0,0,2]=4 8227 B16R1.4229 C#Cc1ccccc1C(=O)CC(=O)OCC 1458a_100011243808_100000188475 [0,2,0,0,0,0|0,0,0]=2 8228 B16R1.4229 C=COC(=O)CC(=O)c1ccccc1C#N 1458a_100000742908_100000036128 [0,2,0,0,0,0|0,0,2]=4 8229 B16R1.4229 C=COC(=O)CC(=O)c1ccccc1C=C 1458a_100011830265_100000036128 [0,2,0,0,0,0|0,0,2]=4 8230 B16R1.4229 C=COC(=O)CC(=O)c1ccccc1CC 1458a_100000689120_100000036128 [0,2,0,0,0,0|0,0,2]=4 8231 B16R1.4229 C=COC(=O)CC(=O)c1ccccc1CO 1458a_100011301526_100000036128 [0,2,0,0,0,0|0,0,2]=4 8232 B16R1.4229 C=COC(=O)CC(=O)c1ccccc1I=O 1458a_100000032414_100000036128 [0,2,0,0,0,0|0,0,2]=4 8233 B16R1.4229 C=COC(=O)CC(=O)c1ccccc1OC 1458a_100000185835_100000036128 [0,2,0,0,0,0|0,0,2]=4 8234 B16R1.4229 C=COC(=O)CC(=O)c1ccccc1SC 1458a_100000183967_100000036128 [0,2,0,0,0,0|0,0,2]=4 8235 B16R1.4229 C=Cc1ccccc1C(=O)CC(=O)CCC 1458a_100011830265_100000747444 [0,2,0,0,0,0|1,0,0]=3 8236 B16R1.4229 C=Cc1ccccc1C(=O)CC(=O)NCC 1458a_100011830265_100000183381 [0,2,0,0,0,0|1,0,0]=3 8237 B16R1.4229 C=Cc1ccccc1C(=O)CC(=O)NCO 1458a_100011830265_100000185155 [0,2,0,0,0,0|2,0,0]=4 8238 B16R1.4229 C=Cc1ccccc1C(=O)CC(=O)OCC 1458a_100011830265_100000188475 [0,2,0,0,0,0|0,0,0]=2 8239 B16R1.4229 C=Cc1ccccc1C(=O)CC(=O)OCC 271570a_100011290941_100011248968 [0,2,0,0,0,0|0,0,0]=2 8240 B16R1.4229 C=Cc1ccccc1C(N)CC(=O)OCC 271570a_100011290941_100020603594 [0,2,0,0,0,0|1,0,1]=4 8241 B16R1.4229 C=Cc1ncccc1C(=O)CC(=O)OCC 271570a_100011290941_100010079012 [0,2,0,0,0,0|1,0,0]=3 8242 B16R1.4229 C=Cc1nccnc1C(=O)CC(=O)OCC 271570a_100011290941_114938573733 [0,2,0,0,0,0|2,0,0]=4 8243 B16R1.4229 CC#CC(=O)CC(=O)c1ccccc1OC 1458a_100000763181_100000195505 [0,2,0,0,0,0|1,0,1]=4 8244 B16R1.4229 CC=CC(=O)CC(=O)c1ccccc1OC 1458a_100000210699_100000195505 [0,2,0,0,0,0|1,0,1]=4 8245 B16R1.4229 CCCC(=O)CC(=O)c1ccccc1C#N 1458a_100000742908_100000747444 [0,2,0,0,0,0|1,0,0]=3 8246 B16R1.4229 CCCC(=O)CC(=O)c1ccccc1CC 1458a_100000689120_100000747444 [0,2,0,0,0,0|1,0,0]=3 8247 B16R1.4229 CCCC(=O)CC(=O)c1ccccc1CO 1458a_100011301526_100000747444 [0,2,0,0,0,0|1,0,0]=3 8248 B16R1.4229 CCCC(=O)CC(=O)c1ccccc1I=O 1458a_100000032414_100000747444 [0,2,0,0,0,0|1,0,0]=3 8249 B16R1.4229 CCCC(=O)CC(=O)c1ccccc1OC 1458a_100000185835_100000747444 [0,2,0,0,0,0|1,0,0]=3 8250 B16R1.4229 CCCC(=O)CC(=O)c1ccccc1OC 1458a_100000211992_100000195505 [0,2,0,0,0,0|1,0,0]=3 8251 B16R1.4229 CCCC(=O)CC(=O)c1ccccc1SC 1458a_100000183967_100000747444 [0,2,0,0,0,0|1,0,0]=3 8252 B16R1.4229 CCNC(=O)CC(=O)c1ccccc1C#N 1458a_100000742908_100000183381 [0,2,0,0,0,0|1,0,0]=3 8253 B16R1.4229 CCNC(=O)CC(=O)c1ccccc1CC 1458a_100000689120_100000183381 [0,2,0,0,0,0|1,0,0]=3 8254 B16R1.4229 CCNC(=O)CC(=O)c1ccccc1CO 1458a_100011301526_100000183381 [0,2,0,0,0,0|1,0,0]=3 8255 B16R1.4229 CCNC(=O)CC(=O)c1ccccc1I=O 1458a_100000032414_100000183381 [0,2,0,0,0,0|1,0,0]=3 8256 B16R1.4229 CCNC(=O)CC(=O)c1ccccc1OC 1458a_100000185835_100000183381 [0,2,0,0,0,0|1,0,0]=3 8257 B16R1.4229 CCNC(=O)CC(=O)c1ccccc1SC 1458a_100000183967_100000183381 [0,2,0,0,0,0|1,0,0]=3 8258 B16R1.4229 CCOC(=O)/C=C(\C)/c1ccccc1C#N 271570a_100050291487_100000188569 [0,2,0,0,0,0|1,0,1]=4 8259 B16R1.4229 CCOC(=O)/C=C(\C)/c1ccccc1C=O 271570a_100050291487_100000211189 [0,2,0,0,0,0|1,0,1]=4 8260 B16R1.4229 CCOC(=O)/C=C(\C)/c1ccccc1CC 271570a_100050291487_100011215823 [0,2,0,0,0,0|1,0,1]=4 8261 B16R1.4229 CCOC(=O)/C=C(\C)/c1ccccc1CN 271570a_100050291487_100000689332 [0,2,0,0,0,0|1,0,1]=4 8262 B16R1.4229 CCOC(=O)/C=C(\C)/c1ccccc1CO 271570a_100050291487_100000187465 [0,2,0,0,0,0|1,0,1]=4 8263 B16R1.4229 CCOC(=O)/C=C(\C)/c1ccccc1NC 271570a_100050291487_100020606079 [0,2,0,0,0,0|1,0,1]=4 8264 B16R1.4229 CCOC(=O)/C=C(\C)/c1ccccc1NN 271570a_100050291487_100000241748 [0,2,0,0,0,0|1,0,1]=4 8265 B16R1.4229 CCOC(=O)/C=C(\C)/c1ccccc1OC 271570a_100050291487_100000174000 [0,2,0,0,0,0|1,0,1]=4 8266 B16R1.4229 CCOC(=O)/C=C(\C)/c1ccccc1SC 271570a_100050291487_100011217816 [0,2,0,0,0,0|1,0,1]=4 8267 B16R1.4229 CCOC(=O)CC(=O)c1ccccc1C#N 1458a_100000742908_100000188475 [0,2,0,0,0,0|0,0,0]=2 8268 B16R1.4229 CCOC(=O)CC(=O)c1ccccc1CC 1458a_100000689120_100000188475 [0,2,0,0,0,0|0,0,0]=2 8269 B16R1.4229 CCOC(=O)CC(=O)c1ccccc1CO 1458a_100011301526_100000188475 [0,2,0,0,0,0|0,0,0]=2 8270 B16R1.4229 CCOC(=O)CC(=O)c1ccccc1I=O 1458a_100000032414_100000188475 [0,2,0,0,0,0|0,0,0]=2 8271 B16R1.4229 CCOC(=O)CC(=O)c1ccccc1OC 1458a_100000185835_100000188475 [0,2,0,0,0,0|0,0,0]=2 8272 B16R1.4229 CCOC(=O)CC(=O)c1ccccc1SC 1458a_100000183967_100000188475 [0,2,0,0,0,0|0,0,0]=2 8273 B16R1.4229 CCOC(=O)CC(=O)c1ccccc1SC 62a_100011248968_200000210301 [0,2,0,0,0,0|0,0,0]=2 8274 B16R1.4229 CCOC(=O)CC(=O)c1ccccc1S[13CH3] 62a_100011248968_200025704644 [0,2,0,0,0,0|0,0,0]=2 8275 B16R1.4229 CCOC(=O)CC(=O)c1cccnc1SC 62a_100010079012_200000210301 [0,2,0,0,0,0|1,0,0]=3 8276 B16R1.4229 CCOC(=O)CC(=O)c1cccnc1SC 62a_200000210301_100010079012 [0,2,0,0,0,0|1,0,0]=3 8277 B16R1.4229 CCOC(=O)CC(=O)c1cccnc1S[13CH3] 62a_100010079012_200025704644 [0,2,0,0,0,0|1,0,0]=3 8278 B16R1.4229 CCOC(=O)CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100010079012 [0,2,0,0,0,0|1,0,0]=3 8279 B16R1.4229 CCOC(=O)CC(=O)c1nccnc1SC 62a_114938573733_200000210301 [0,2,0,0,0,0|2,0,0]=4 8280 B16R1.4229 CCOC(=O)CC(=O)c1nccnc1SC 62a_200000210301_114938573733 [0,2,0,0,0,0|2,0,0]=4 8281 B16R1.4229 CCOC(=O)CC(=O)c1nccnc1S[13CH3] 62a_114938573733_200025704644 [0,2,0,0,0,0|2,0,0]=4 8282 B16R1.4229 CCOC(=O)CC(=O)c1nccnc1S[13CH3] 62a_200025704644_114938573733 [0,2,0,0,0,0|2,0,0]=4 8283 B16R1.4229 CCOC(=O)CC(N)c1ccccc1SC 62a_100020603594_200000210301 [0,2,0,0,0,0|1,0,1]=4 8284 B16R1.4229 CCOC(=O)CC(N)c1ccccc1SC 62a_200000210301_100020603594 [0,2,0,0,0,0|1,0,1]=4 8285 B16R1.4229 CCOC(=O)CC(N)c1ccccc1S[13CH3] 62a_100020603594_200025704644 [0,2,0,0,0,0|1,0,1]=4 8286 B16R1.4229 CCOC(=O)CC(N)c1ccccc1S[13CH3] 62a_200025704644_100020603594 [0,2,0,0,0,0|1,0,1]=4 8287 B16R1.4229 CCOC(=O)CN(C)c1ccccc1C#N 2230a_100000744078_100000188475 [0,2,0,0,0,0|2,0,0]=4 8288 B16R1.4229 CCOC(=O)CN(C)c1ccccc1C#N 269982a_100000744078_100000188475 [0,2,0,0,0,0|2,0,0]=4 8289 B16R1.4229 CCOC(=O)CN(C)c1ccccc1C#N 269982a_100011200414_200000210301 [0,2,0,0,0,0|2,0,0]=4 8290 B16R1.4229 CCOC(=O)CN(C)c1ccccc1OC 2230a_100000219746_100000188475 [0,2,0,0,0,0|2,0,0]=4 8291 B16R1.4229 CCOC(=O)CN(C)c1ccccc1OC 269982a_100000219746_100000188475 [0,2,0,0,0,0|2,0,0]=4 8292 B16R1.4229 CCOC(=O)CN(C)c1ccccc1OC 34a_100000219746_100000188475 [0,2,0,0,0,0|2,0,0]=4 8293 B16R1.4229 CCOC(=O)CN([13CH3])c1ccccc1C#N 269982a_100011200414_200025704644 [0,2,0,0,0,0|2,0,0]=4 8294 B16R1.4229 CCc1ccccc1C(=O)CC(=O)NCO 1458a_100000689120_100000185155 [0,2,0,0,0,0|2,0,0]=4 8295 B16R1.4229 COCC(=O)CC(=O)c1ccccc1OC 1458a_100000210968_100000195505 [0,2,0,0,0,0|2,0,0]=4 8296 B16R1.4229 COc1ccccc1C(=O)CC(=O)CCO 1458a_100011216618_100000195505 [0,2,0,0,0,0|2,0,0]=4 8297 B16R1.4229 COc1ccccc1C(=O)CC(=O)CSC 1458a_100000184570_100000195505 [0,2,0,0,0,0|2,0,0]=4 8298 B16R1.4229 COc1ccccc1C(=O)CC(=O)NCO 1458a_100000185835_100000185155 [0,2,0,0,0,0|2,0,0]=4 8299 B16R1.4229 CSc1ccccc1C(=O)CC(=O)NCO 1458a_100000183967_100000185155 [0,2,0,0,0,0|2,0,0]=4 8300 B16R1.4229 N#Cc1ccccc1C(=O)CC(=O)NCO 1458a_100000742908_100000185155 [0,2,0,0,0,0|2,0,0]=4 8301 B16R1.4229 O=C(CC(=O)c1ccccc1CO)NCO 1458a_100011301526_100000185155 [0,2,0,0,0,0|2,0,0]=4 8302 B16R1.4229 O=Ic1ccccc1C(=O)CC(=O)NCO 1458a_100000032414_100000185155 [0,2,0,0,0,0|2,0,0]=4 8303 B16R1.64548 CCO[Si](C)(C)CC(=O)c1ccccc1Br 1458a_100000188424_200000065227 [0,2,0,0,0,0|1,1,0]=4 8304 B16R1.64548 CCO[Si](C)(C)CC(=O)c1ccccc1C 1458a_100000212026_200000065227 [0,2,0,0,0,0|1,1,0]=4 8305 B16R1.64548 CCO[Si](C)(C)CC(=O)c1ccccc1Cl 1458a_100000185844_200000065227 [0,2,0,0,0,0|1,1,0]=4 8306 B16R1.64548 CCO[Si](C)(C)CC(=O)c1ccccc1F 1458a_100000188656_200000065227 [0,2,0,0,0,0|1,1,0]=4 8307 B16R1.64548 CCO[Si](C)(C)CC(=O)c1ccccc1I 1458a_100000187884_200000065227 [0,2,0,0,0,0|1,1,0]=4 8308 B16R1.64548 CCO[Si](C)(C)CC(=O)c1ccccc1O 1458a_100015234032_200000065227 [0,2,0,0,0,0|1,1,0]=4 8309 B16R1.64548 CCO[Si](C)(C)CC(=O)c1ccccc1[O-] 1458a_100009911694_200000065227 [0,2,0,0,0,0|1,1,0]=4 8310 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000036128 [0,2,0,0,0,0|0,0,2]=4 8311 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1Br)C 1458a_100000701904_100000036128 [0,2,0,0,0,0|0,0,2]=4 8312 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000036128 [0,2,0,0,0,0|0,0,2]=4 8313 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1Br)F 1458a_100000752694_100000036128 [0,2,0,0,0,0|0,0,2]=4 8314 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1Br)O 1458a_100011935254_100000036128 [0,2,0,0,0,0|0,0,2]=4 8315 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1C)C 1458a_100000758298_100000036128 [0,2,0,0,0,0|0,0,2]=4 8316 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000036128 [0,2,0,0,0,0|0,0,2]=4 8317 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000036128 [0,2,0,0,0,0|0,0,2]=4 8318 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000036128 [0,2,0,0,0,0|0,0,2]=4 8319 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000036128 [0,2,0,0,0,0|0,0,2]=4 8320 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1F)C 1458a_100000762013_100000036128 [0,2,0,0,0,0|0,0,2]=4 8321 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1F)F 1458a_100000210804_100000036128 [0,2,0,0,0,0|0,0,2]=4 8322 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1F)O 1458a_100000763259_100000036128 [0,2,0,0,0,0|0,0,2]=4 8323 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1I)Br 1458a_100010232521_100000036128 [0,2,0,0,0,0|0,0,2]=4 8324 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1I)C 1458a_100000688020_100000036128 [0,2,0,0,0,0|0,0,2]=4 8325 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000036128 [0,2,0,0,0,0|0,0,2]=4 8326 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1I)F 1458a_100000023732_100000036128 [0,2,0,0,0,0|0,0,2]=4 8327 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1O)C 1458a_100011934116_100000036128 [0,2,0,0,0,0|0,0,2]=4 8328 B16R1.104268 C=COC(=O)CC(=O)c1c(cccc1O)O 1458a_100000755285_100000036128 [0,2,0,0,0,0|0,0,2]=4 8329 B16R1.104268 CC#CC(=O)CC(=O)c1c(cccc1Cl)Cl 1458a_100000763181_100012340516 [0,2,0,0,0,0|1,0,1]=4 8330 B16R1.104268 CC#CC(=O)CC(=O)c1c(cccc1Cl)F 1458a_100000763181_100011219195 [0,2,0,0,0,0|1,0,1]=4 8331 B16R1.104268 CC#CC(=O)CC(=O)c1c(cccc1F)F 1458a_100000763181_100000199083 [0,2,0,0,0,0|1,0,1]=4 8332 B16R1.104268 CC=CC(=O)CC(=O)c1c(cccc1Cl)Cl 1458a_100000210699_100012340516 [0,2,0,0,0,0|1,0,1]=4 8333 B16R1.104268 CC=CC(=O)CC(=O)c1c(cccc1Cl)F 1458a_100000210699_100011219195 [0,2,0,0,0,0|1,0,1]=4 8334 B16R1.104268 CC=CC(=O)CC(=O)c1c(cccc1F)F 1458a_100000210699_100000199083 [0,2,0,0,0,0|1,0,1]=4 8335 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000747444 [0,2,0,0,0,0|1,0,0]=3 8336 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1Br)C 1458a_100000701904_100000747444 [0,2,0,0,0,0|1,0,0]=3 8337 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000747444 [0,2,0,0,0,0|1,0,0]=3 8338 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1Br)F 1458a_100000752694_100000747444 [0,2,0,0,0,0|1,0,0]=3 8339 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1Br)O 1458a_100011935254_100000747444 [0,2,0,0,0,0|1,0,0]=3 8340 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1C)C 1458a_100000758298_100000747444 [0,2,0,0,0,0|1,0,0]=3 8341 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000747444 [0,2,0,0,0,0|1,0,0]=3 8342 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000747444 [0,2,0,0,0,0|1,0,0]=3 8343 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1Cl)Cl 1458a_100000211992_100012340516 [0,2,0,0,0,0|1,0,0]=3 8344 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000747444 [0,2,0,0,0,0|1,0,0]=3 8345 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1Cl)F 1458a_100000211992_100011219195 [0,2,0,0,0,0|1,0,0]=3 8346 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000747444 [0,2,0,0,0,0|1,0,0]=3 8347 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1F)C 1458a_100000762013_100000747444 [0,2,0,0,0,0|1,0,0]=3 8348 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1F)F 1458a_100000210804_100000747444 [0,2,0,0,0,0|1,0,0]=3 8349 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1F)F 1458a_100000211992_100000199083 [0,2,0,0,0,0|1,0,0]=3 8350 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1F)O 1458a_100000763259_100000747444 [0,2,0,0,0,0|1,0,0]=3 8351 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1I)Br 1458a_100010232521_100000747444 [0,2,0,0,0,0|1,0,0]=3 8352 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1I)C 1458a_100000688020_100000747444 [0,2,0,0,0,0|1,0,0]=3 8353 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000747444 [0,2,0,0,0,0|1,0,0]=3 8354 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1I)F 1458a_100000023732_100000747444 [0,2,0,0,0,0|1,0,0]=3 8355 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1O)C 1458a_100011934116_100000747444 [0,2,0,0,0,0|1,0,0]=3 8356 B16R1.104268 CCCC(=O)CC(=O)c1c(cccc1O)O 1458a_100000755285_100000747444 [0,2,0,0,0,0|1,0,0]=3 8357 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000183381 [0,2,0,0,0,0|1,0,0]=3 8358 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1Br)C 1458a_100000701904_100000183381 [0,2,0,0,0,0|1,0,0]=3 8359 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000183381 [0,2,0,0,0,0|1,0,0]=3 8360 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1Br)F 1458a_100000752694_100000183381 [0,2,0,0,0,0|1,0,0]=3 8361 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1Br)O 1458a_100011935254_100000183381 [0,2,0,0,0,0|1,0,0]=3 8362 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1C)C 1458a_100000758298_100000183381 [0,2,0,0,0,0|1,0,0]=3 8363 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000183381 [0,2,0,0,0,0|1,0,0]=3 8364 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000183381 [0,2,0,0,0,0|1,0,0]=3 8365 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000183381 [0,2,0,0,0,0|1,0,0]=3 8366 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000183381 [0,2,0,0,0,0|1,0,0]=3 8367 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1F)C 1458a_100000762013_100000183381 [0,2,0,0,0,0|1,0,0]=3 8368 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1F)F 1458a_100000210804_100000183381 [0,2,0,0,0,0|1,0,0]=3 8369 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1F)O 1458a_100000763259_100000183381 [0,2,0,0,0,0|1,0,0]=3 8370 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1I)Br 1458a_100010232521_100000183381 [0,2,0,0,0,0|1,0,0]=3 8371 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1I)C 1458a_100000688020_100000183381 [0,2,0,0,0,0|1,0,0]=3 8372 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000183381 [0,2,0,0,0,0|1,0,0]=3 8373 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1I)F 1458a_100000023732_100000183381 [0,2,0,0,0,0|1,0,0]=3 8374 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1O)C 1458a_100011934116_100000183381 [0,2,0,0,0,0|1,0,0]=3 8375 B16R1.104268 CCNC(=O)CC(=O)c1c(cccc1O)O 1458a_100000755285_100000183381 [0,2,0,0,0,0|1,0,0]=3 8376 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1Br)Br 271570a_100050291487_100009994525 [0,2,0,0,0,0|1,0,1]=4 8377 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1Br)Cl 271570a_100050291487_100010214488 [0,2,0,0,0,0|1,0,1]=4 8378 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1Br)F 271570a_100050291487_100011219512 [0,2,0,0,0,0|1,0,1]=4 8379 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1Br)N 271570a_100050291487_100020590159 [0,2,0,0,0,0|1,0,1]=4 8380 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1Br)O 271570a_100050291487_100010187912 [0,2,0,0,0,0|1,0,1]=4 8381 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1C)C 271570a_100050291487_100000033847 [0,2,0,0,0,0|1,0,1]=4 8382 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1Cl)C 271570a_100050291487_100000043165 [0,2,0,0,0,0|1,0,1]=4 8383 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1Cl)Cl 271570a_100050291487_100000034237 [0,2,0,0,0,0|1,0,1]=4 8384 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1Cl)F 271570a_100050291487_100000050007 [0,2,0,0,0,0|1,0,1]=4 8385 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1Cl)N 271570a_100050291487_100000049713 [0,2,0,0,0,0|1,0,1]=4 8386 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1Cl)O 271570a_100050291487_100000050174 [0,2,0,0,0,0|1,0,1]=4 8387 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1F)C 271570a_100050291487_100012349962 [0,2,0,0,0,0|1,0,1]=4 8388 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1F)F 271570a_100050291487_100000693133 [0,2,0,0,0,0|1,0,1]=4 8389 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1F)N 271570a_100050291487_100011934729 [0,2,0,0,0,0|1,0,1]=4 8390 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1F)O 271570a_100050291487_100009820682 [0,2,0,0,0,0|1,0,1]=4 8391 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1N)C 271570a_100050291487_100000684715 [0,2,0,0,0,0|1,0,1]=4 8392 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1O)C 271570a_100050291487_100000686692 [0,2,0,0,0,0|1,0,1]=4 8393 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1O)N 271570a_100050291487_100012183704 [0,2,0,0,0,0|1,0,1]=4 8394 B16R1.104268 CCOC(=O)/C=C(\C)/c1c(cccc1O)O 271570a_100050291487_100010205330 [0,2,0,0,0,0|1,0,1]=4 8395 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000188475 [0,2,0,0,0,0|0,0,0]=2 8396 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1Br)C 1458a_100000701904_100000188475 [0,2,0,0,0,0|0,0,0]=2 8397 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000188475 [0,2,0,0,0,0|0,0,0]=2 8398 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1Br)F 1458a_100000752694_100000188475 [0,2,0,0,0,0|0,0,0]=2 8399 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1Br)O 1458a_100011935254_100000188475 [0,2,0,0,0,0|0,0,0]=2 8400 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1C)C 1458a_100000758298_100000188475 [0,2,0,0,0,0|0,0,0]=2 8401 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000188475 [0,2,0,0,0,0|0,0,0]=2 8402 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000188475 [0,2,0,0,0,0|0,0,0]=2 8403 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000188475 [0,2,0,0,0,0|0,0,0]=2 8404 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000188475 [0,2,0,0,0,0|0,0,0]=2 8405 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1F)C 1458a_100000762013_100000188475 [0,2,0,0,0,0|0,0,0]=2 8406 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1F)F 1458a_100000210804_100000188475 [0,2,0,0,0,0|0,0,0]=2 8407 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1F)O 1458a_100000763259_100000188475 [0,2,0,0,0,0|0,0,0]=2 8408 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1I)Br 1458a_100010232521_100000188475 [0,2,0,0,0,0|0,0,0]=2 8409 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1I)C 1458a_100000688020_100000188475 [0,2,0,0,0,0|0,0,0]=2 8410 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000188475 [0,2,0,0,0,0|0,0,0]=2 8411 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1I)F 1458a_100000023732_100000188475 [0,2,0,0,0,0|0,0,0]=2 8412 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1O)C 1458a_100011934116_100000188475 [0,2,0,0,0,0|0,0,0]=2 8413 B16R1.104268 CCOC(=O)CC(=O)c1c(cccc1O)O 1458a_100000755285_100000188475 [0,2,0,0,0,0|0,0,0]=2 8414 B16R1.104268 CCOC(=O)CN(C)c1c(cccc1C)C 2230a_100011645471_100000188475 [0,2,0,0,0,0|2,0,0]=4 8415 B16R1.104268 CCOC(=O)CN(C)c1c(cccc1C)C 269982a_100011645471_100000188475 [0,2,0,0,0,0|2,0,0]=4 8416 B16R1.104268 CCOC(=O)CN(C)c1c(cccc1C)C 34a_100011645471_100000188475 [0,2,0,0,0,0|2,0,0]=4 8417 B16R1.104268 CCOC(=O)CN(C)c1c(cccc1Cl)Cl 269982a_100000691019_100000188475 [0,2,0,0,0,0|2,0,0]=4 8418 B16R1.104268 CCOC(=O)CN(C)c1c(cccc1Cl)Cl 34a_100000691019_100000188475 [0,2,0,0,0,0|2,0,0]=4 8419 B16R1.104268 CCOC(=O)CN(C)c1c(cccc1F)F 2230a_100000743377_100000188475 [0,2,0,0,0,0|2,0,0]=4 8420 B16R1.104268 CCOC(=O)CN(C)c1c(cccc1F)F 269982a_100000743377_100000188475 [0,2,0,0,0,0|2,0,0]=4 8421 B16R1.104268 CCOC(=O)CN(C)c1c(cccc1F)F 34a_100000743377_100000188475 [0,2,0,0,0,0|2,0,0]=4 8422 B16R1.104268 COCC(=O)CC(=O)c1c(cccc1Cl)Cl 1458a_100000210968_100012340516 [0,2,0,0,0,0|2,0,0]=4 8423 B16R1.104268 COCC(=O)CC(=O)c1c(cccc1Cl)F 1458a_100000210968_100011219195 [0,2,0,0,0,0|2,0,0]=4 8424 B16R1.104268 COCC(=O)CC(=O)c1c(cccc1F)F 1458a_100000210968_100000199083 [0,2,0,0,0,0|2,0,0]=4 8425 B16R1.104268 CSCC(=O)CC(=O)c1c(cccc1Cl)Cl 1458a_100000184570_100012340516 [0,2,0,0,0,0|2,0,0]=4 8426 B16R1.104268 CSCC(=O)CC(=O)c1c(cccc1Cl)F 1458a_100000184570_100011219195 [0,2,0,0,0,0|2,0,0]=4 8427 B16R1.104268 CSCC(=O)CC(=O)c1c(cccc1F)F 1458a_100000184570_100000199083 [0,2,0,0,0,0|2,0,0]=4 8428 B16R1.104268 Cc1cccc(c1C(=O)CC(=O)NCO)Br 1458a_100000701904_100000185155 [0,2,0,0,0,0|2,0,0]=4 8429 B16R1.104268 Cc1cccc(c1C(=O)CC(=O)NCO)C 1458a_100000758298_100000185155 [0,2,0,0,0,0|2,0,0]=4 8430 B16R1.104268 Cc1cccc(c1C(=O)CC(=O)NCO)Cl 1458a_100000692601_100000185155 [0,2,0,0,0,0|2,0,0]=4 8431 B16R1.104268 Cc1cccc(c1C(=O)CC(=O)NCO)F 1458a_100000762013_100000185155 [0,2,0,0,0,0|2,0,0]=4 8432 B16R1.104268 Cc1cccc(c1C(=O)CC(=O)NCO)I 1458a_100000688020_100000185155 [0,2,0,0,0,0|2,0,0]=4 8433 B16R1.104268 Cc1cccc(c1C(=O)CC(=O)NCO)O 1458a_100011934116_100000185155 [0,2,0,0,0,0|2,0,0]=4 8434 B16R1.104268 O=C(CC(=O)c1c(cccc1Br)Br)NCO 1458a_100000690891_100000185155 [0,2,0,0,0,0|2,0,0]=4 8435 B16R1.104268 O=C(CC(=O)c1c(cccc1Br)Cl)NCO 1458a_100011253703_100000185155 [0,2,0,0,0,0|2,0,0]=4 8436 B16R1.104268 O=C(CC(=O)c1c(cccc1Br)F)NCO 1458a_100000752694_100000185155 [0,2,0,0,0,0|2,0,0]=4 8437 B16R1.104268 O=C(CC(=O)c1c(cccc1Br)O)NCO 1458a_100011935254_100000185155 [0,2,0,0,0,0|2,0,0]=4 8438 B16R1.104268 O=C(CC(=O)c1c(cccc1Cl)Cl)NCO 1458a_100000210656_100000185155 [0,2,0,0,0,0|2,0,0]=4 8439 B16R1.104268 O=C(CC(=O)c1c(cccc1Cl)F)NCO 1458a_100000210369_100000185155 [0,2,0,0,0,0|2,0,0]=4 8440 B16R1.104268 O=C(CC(=O)c1c(cccc1Cl)O)NCO 1458a_100000745519_100000185155 [0,2,0,0,0,0|2,0,0]=4 8441 B16R1.104268 O=C(CC(=O)c1c(cccc1F)F)NCO 1458a_100000210804_100000185155 [0,2,0,0,0,0|2,0,0]=4 8442 B16R1.104268 O=C(CC(=O)c1c(cccc1F)O)NCO 1458a_100000763259_100000185155 [0,2,0,0,0,0|2,0,0]=4 8443 B16R1.104268 O=C(CC(=O)c1c(cccc1I)Br)NCO 1458a_100010232521_100000185155 [0,2,0,0,0,0|2,0,0]=4 8444 B16R1.104268 O=C(CC(=O)c1c(cccc1I)Cl)NCO 1458a_100000702859_100000185155 [0,2,0,0,0,0|2,0,0]=4 8445 B16R1.104268 O=C(CC(=O)c1c(cccc1I)F)NCO 1458a_100000023732_100000185155 [0,2,0,0,0,0|2,0,0]=4 8446 B16R1.104268 O=C(CC(=O)c1c(cccc1O)O)NCO 1458a_100000755285_100000185155 [0,2,0,0,0,0|2,0,0]=4 8447 B16R1.104268 O=C(CCO)CC(=O)c1c(cccc1Cl)Cl 1458a_100011216618_100012340516 [0,2,0,0,0,0|2,0,0]=4 8448 B16R1.104268 O=C(CCO)CC(=O)c1c(cccc1Cl)F 1458a_100011216618_100011219195 [0,2,0,0,0,0|2,0,0]=4 8449 B16R1.104268 O=C(CCO)CC(=O)c1c(cccc1F)F 1458a_100011216618_100000199083 [0,2,0,0,0,0|2,0,0]=4 8450 B14R1.621 CCOC(=O)CC(=O)Cc1ccc[nH]1 1458a_100000238377_100000188475 [0,0,1,1,0,0|1,0,1]=4 8451 B14R1.621 CCOC(=O)CC(=O)Cc1ccco1 1458a_100011217309_100000188475 [0,0,1,1,0,0|1,0,1]=4 8452 B14R1.621 CCOC(=O)CC(=O)Cc1cccs1 1458a_100000210189_100000188475 [0,0,1,1,0,0|1,0,1]=4 8453 B14R1.621 CCOC(=O)CC(=O)Cc1ccoc1 1458a_100000684892_100000188475 [0,0,1,1,0,0|1,0,1]=4 8454 B14R1.621 CCOC(=O)CC(=O)Cc1ccsc1 1458a_100000184062_100000188475 [0,0,1,1,0,0|1,0,1]=4 8455 B14R1.621 CCOC(=O)CC(=O)Cc1ccsc1 1458a_100000243816_100011233845 [0,0,1,1,0,0|1,0,1]=4 8456 B14R1.621 CCOC(=O)CC(=O)Cn1cccc1 1458a_100011196272_100000188475 [0,0,1,1,0,0|1,0,1]=4 8457 B14R1.962 C=Cc1cc(ccn1)CC(=O)OCC 271570a_100011290941_100000696486 [0,0,1,1,0,0|2,0,0]=4 8458 B14R1.962 C=Cc1cccc(c1)CC(=O)OCC 271570a_100011290941_100011586817 [0,0,1,1,0,0|1,0,0]=3 8459 B14R1.962 C=Cc1cccc(n1)CC(=O)OCC 271570a_100011290941_100010230180 [0,0,1,1,0,0|1,0,0]=3 8460 B14R1.962 C=Cc1ccnc(c1)CC(=O)OCC 271570a_100011290941_100000716784 [0,0,1,1,0,0|2,0,0]=4 8461 B14R1.962 C=Cc1cncc(n1)CC(=O)OCC 271570a_100011290941_200010173988 [0,0,1,1,0,0|2,0,0]=4 8462 B14R1.7276 C=Cc1cccc(c1C(=O)OCC)F 271570a_100011290941_100012357633 [0,0,1,1,0,0|1,0,1]=4 8463 B14R1.618 C=Cc1cccc(c1C)C(=O)OCC 271570a_100011290941_100012298221 [0,0,1,1,0,0|1,0,1]=4 8464 B14R1.618 C=Cc1cccc(c1F)C(=O)OCC 271570a_100011290941_100012350793 [0,0,1,1,0,0|1,0,1]=4 8465 B14R1.618 C=Cc1cccc(c1N)C(=O)OCC 271570a_100011290941_200011356557 [0,0,1,1,0,0|1,0,1]=4 8466 B14R1.965 C=Cc1ccccc1CC(=O)NCC 271570a_100011290941_200009816148 [0,0,1,1,0,0|2,0,0]=4 8467 B14R1.965 C=Cc1ccccc1CC(=O)OCC 271570a_100011290941_100011218996 [0,0,1,1,0,0|1,0,0]=3 8468 B14R1.965 C=Cc1cccnc1CC(=O)OCC 271570a_100011290941_100016306959 [0,0,1,1,0,0|1,0,0]=3 8469 B14R1.965 C=Cc1cnccc1CC(=O)OCC 271570a_100011290941_100010089795 [0,0,1,1,0,0|2,0,0]=4 8470 B14R1.965 C=Cc1cncnc1CC(=O)OCC 271570a_100011290941_100010009764 [0,0,1,1,0,0|2,0,0]=4 8471 B14R1.965 C=Cc1ncccc1CC(=O)OCC 271570a_100011290941_100009886914 [0,0,1,1,0,0|2,0,0]=4 8472 B14R2.21 O=C1C=C(CCC1)c2ccccc2 271570a_100000723966_100000210277 [1,0,0,1,0,0|1,0,1]=4 8473 B14R2.335 CN(c1ccccc1)C2CCC2=O 269982a_100000210012_100009892977 [1,0,0,1,0,0|2,0,0]=4 8474 B14R2.335 CN(c1ccccc1)C2CCC2=O 34a_100000210012_100009892977 [1,0,0,1,0,0|2,0,0]=4 8475 B14R2.335 O=C1CCC1C(=O)c2ccccc2 1458a_100000185807_100009892977 [1,0,0,1,0,0|0,0,0]=2 8476 B14R2.794 O=C(CC1CCC1)c2ccccc2 1458a_100000185807_100000763275 [1,0,0,1,0,0|1,0,1]=4 8477 B14R2.794 O=C(CC1CCO1)c2ccccc2 1458a_100000185807_100000103362 [1,0,0,1,0,0|0,0,2]=4 8478 B14R2.794 O=C(CN1CCC1)c2ccccc2 269982a_100000754969_100000211460 [1,0,0,1,0,0|2,0,0]=4 8479 B14R2.958 CCC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_100000210202 [1,0,0,1,0,0|1,0,1]=4 8480 B14R2.9595 CC1(CO1)CC(=O)c2ccccc2 1458a_100000185807_100000760498 [1,0,0,1,0,0|1,0,1]=4 8481 B14R2.114 O=C(c1ccccc1)C2CCCC2 1458a_100000185807_100000179811 [1,0,0,1,0,0|1,0,1]=4 8482 B14R2.114 O=C(c1ccccc1)C2CCOC2 1458a_100000185807_100000690089 [1,0,0,1,0,0|0,0,1]=3 8483 B14R2.510 CCNC1CC(=O)c2c1cccc2 2230a_100015525214_100010208147 [1,0,0,1,0,0|1,0,1]=4 8484 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100000210202_100010208147 [1,0,0,1,0,0|0,1,1]=4 8485 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210202 [1,0,0,1,0,0|0,1,1]=4 8486 B14R2.792 O=C(CCC1CC1)c2ccccc2 1458a_100000185807_100000694398 [1,0,0,1,0,0|1,0,1]=4 8487 B14R2.792 O=C(CSC1CC1)c2ccccc2 62a_100000211460_100000211595 [1,0,0,1,0,0|2,0,0]=4 8488 B14R2.30 O=C1CCCC1Nc2ccccc2 34a_100000106764_100000709159 [1,0,0,1,0,0|2,0,0]=4 8489 B14R2.30 O=C1CCCC1Oc2ccccc2 34a_100000210340_100000709159 [1,0,0,1,0,0|2,0,0]=4 8490 B14R2.30 O=C1CCCC1Oc2ccccc2 7a_100000210340_100000211823 [1,0,0,1,0,0|2,0,0]=4 8491 B14R2.30 O=C1CCCC1Sc2ccccc2 62a_100000211823_100000041952 [1,0,0,1,0,0|2,0,0]=4 8492 B14R2.30 O=C1CCCC1Sc2ccccc2 62a_100000719477_100000211823 [1,0,0,1,0,0|2,0,0]=4 8493 B14R2.30 O=C1OCCC1Nc2ccccc2 34a_100000106764_100000211211 [1,0,0,1,0,0|1,0,0]=3 8494 B14R2.30 O=C1OCCC1Oc2ccccc2 34a_100000210340_100000211211 [1,0,0,1,0,0|1,0,0]=3 8495 B14R2.30 O=C1OCCC1Oc2ccccc2 7a_100000210340_100000211211 [1,0,0,1,0,0|1,0,0]=3 8496 B14R2.30 O=C1OCCC1Oc2cccnc2 34a_100000210849_100000211211 [1,0,0,1,0,0|2,0,0]=4 8497 B14R2.30 O=C1OCCC1Oc2cccnc2 7a_100000210849_100000211211 [1,0,0,1,0,0|2,0,0]=4 8498 B14R2.30 O=C1OCCC1Oc2ccncc2 34a_100000212176_100000211211 [1,0,0,1,0,0|2,0,0]=4 8499 B14R2.30 O=C1OCCC1Sc2ccccc2 62a_100000211211_100000041952 [1,0,0,1,0,0|1,0,0]=3 8500 B14R2.30 O=C1OCCC1Sc2ccccc2 62a_100000719477_100000211211 [1,0,0,1,0,0|1,0,0]=3 8501 B14R2.30 O=C1OCCC1Sc2ccccn2 62a_100000211211_100011216584 [1,0,0,1,0,0|2,0,0]=4 8502 B14R2.30 O=C1OCCC1Sc2ccccn2 62a_100011216584_100000211211 [1,0,0,1,0,0|2,0,0]=4 8503 B14R2.30 O=C1OCCC1Sc2cccnc2 62a_100000210063_100000211211 [1,0,0,1,0,0|2,0,0]=4 8504 B14R2.30 O=C1OCCC1Sc2cccnc2 62a_100000211211_100000210063 [1,0,0,1,0,0|2,0,0]=4 8505 B14R2.30 O=C1OCCC1Sc2ccncc2 62a_100000211211_100000728582 [1,0,0,1,0,0|2,0,0]=4 8506 B14R2.30 O=C1OCCC1Sc2ccncc2 62a_100000728582_100000211211 [1,0,0,1,0,0|2,0,0]=4 8507 B14R2.112 CCOc1ccc2ccccc2c1 34a_100000185828_100000210202 [1,0,0,1,0,0|1,0,1]=4 8508 B14R2.112 CCOc1ccc2ccccc2c1 7a_100000185828_100000210202 [1,0,0,1,0,0|1,0,1]=4 8509 B14R2.2899 O=C(CCc1ccccc1)C2CC2 1458a_100000210395_100000765856 [1,0,0,1,0,0|1,0,1]=4 8510 B14R2.2899 O=C(CNc1ccccc1)C2CC2 34a_100000106764_100000746382 [1,0,0,1,0,0|2,0,0]=4 8511 B14R2.2899 O=C(COc1ccccc1)C2CC2 34a_100000210340_100000746382 [1,0,0,1,0,0|2,0,0]=4 8512 B14R2.2899 O=C(COc1ccccc1)C2CC2 7a_100000210340_100000746382 [1,0,0,1,0,0|2,0,0]=4 8513 B14R2.2899 O=C(CSc1ccccc1)C2CC2 62a_100000719477_100000746382 [1,0,0,1,0,0|2,0,0]=4 8514 B14R2.2899 O=C(CSc1ccccc1)C2CC2 62a_100000746382_100000041952 [1,0,0,1,0,0|2,0,0]=4 8515 B14R2.33858 CCCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000210303 [1,0,0,1,0,0|1,0,1]=4 8516 B14R2.33858 CCNC(=O)C1Cc2c1cccc2 11a_100015525214_200000238571 [1,0,0,1,0,0|1,0,1]=4 8517 B14R2.33858 CCNC(=O)C1Cc2c1cccc2 240690a_100015525214_200000238571 [1,0,0,1,0,0|1,0,1]=4 8518 B14R2.33858 CCNC(=O)C1Cc2c1cccc2 527a_100015525214_200000238571 [1,0,0,1,0,0|1,0,1]=4 8519 B14R2.15286 O=C(CC(=O)C1CC1)c2ccc[nH]2 1458a_100000210395_200011262396 [0,0,0,1,1,0|2,0,0]=4 8520 B14R2.15286 O=C(CC(=O)C1CC1)c2ccco2 1458a_100000210395_100000211439 [0,0,0,1,1,0|2,0,0]=4 8521 B14R2.15286 O=C(CC(=O)C1CC1)c2cccs2 1458a_100000210395_100000211436 [0,0,0,1,1,0|2,0,0]=4 8522 B14R2.15286 O=C(CC(=O)C1CC1)c2ccsc2 1458a_100000210395_100011219462 [0,0,0,1,1,0|2,0,0]=4 8523 B16R2.236 CC(c1ccccc1)N2CCOC(=O)C2 2230a_100000131268_100000230085 [0,0,0,1,0,1|1,0,1]=4 8524 B16R2.236 CC1=CCCN(C1)C(=O)c2ccccc2 11a_100000725631_100000185807 [0,0,0,1,0,1|2,0,0]=4 8525 B16R2.236 CC1=CCCN(C1)C(=O)c2ccccc2 1626a_100000725631_100000185807 [0,0,0,1,0,1|2,0,0]=4 8526 B16R2.236 CC1=CCCN(C1)C(=O)c2ccccc2 240690a_100000725631_100000185807 [0,0,0,1,0,1|2,0,0]=4 8527 B16R2.236 CC1=CCCN(C1)C(=O)c2ccccc2 527a_100000725631_100000185807 [0,0,0,1,0,1|2,0,0]=4 8528 B16R2.236 CC1CN(CCO1)C(=O)c2ccccc2 11a_100000729577_100000185807 [0,0,0,1,0,1|1,0,1]=4 8529 B16R2.236 CC1CN(CCO1)C(=O)c2ccccc2 1626a_100000729577_100000185807 [0,0,0,1,0,1|1,0,1]=4 8530 B16R2.236 CC1CN(CCO1)C(=O)c2ccccc2 240690a_100000729577_100000185807 [0,0,0,1,0,1|1,0,1]=4 8531 B16R2.236 CC1CN(CCO1)C(=O)c2ccccc2 527a_100000729577_100000185807 [0,0,0,1,0,1|1,0,1]=4 8532 B16R2.236 O=C(c1ccccc1)N2CCOC(C2)O 11a_100000688207_100000185807 [0,0,0,1,0,1|0,0,2]=4 8533 B16R2.236 O=C(c1ccccc1)N2CCOC(C2)O 240690a_100000688207_100000185807 [0,0,0,1,0,1|0,0,2]=4 8534 B16R2.236 O=C(c1ccccc1)N2CCOC(C2)O 527a_100000688207_100000185807 [0,0,0,1,0,1|0,0,2]=4 8535 B16R2.236 O=C1CN(CCN1)C(=O)c2ccccc2 11a_100000184651_100000185807 [0,0,0,1,0,1|1,0,0]=3 8536 B16R2.236 O=C1CN(CCN1)C(=O)c2ccccc2 1626a_100000184651_100000185807 [0,0,0,1,0,1|1,0,0]=3 8537 B16R2.236 O=C1CN(CCN1)C(=O)c2ccccc2 240690a_100000184651_100000185807 [0,0,0,1,0,1|1,0,0]=3 8538 B16R2.236 O=C1CN(CCN1)C(=O)c2ccccc2 527a_100000184651_100000185807 [0,0,0,1,0,1|1,0,0]=3 8539 B16R2.236 O=C1CN(CCO1)C(=O)c2ccccc2 11a_100000131268_100000185807 [0,0,0,1,0,1|0,0,0]=2 8540 B16R2.236 O=C1CN(CCO1)C(=O)c2ccccc2 240690a_100000131268_100000185807 [0,0,0,1,0,1|0,0,0]=2 8541 B16R2.236 O=C1CN(CCO1)C(=O)c2ccccc2 527a_100000131268_100000185807 [0,0,0,1,0,1|0,0,0]=2 8542 B16R2.3014 CC(SC1CCOC1=O)c2ccccc2 62a_100000211211_100000230085 [0,0,0,1,0,1|1,0,1]=4 8543 B16R2.3014 CC(SC1CCOC1=O)c2ccccc2 62a_100000230085_100000211211 [0,0,0,1,0,1|1,0,1]=4 8544 B16R2.3014 C[C@@H](NC1CCOC1=O)c2ccccc2 2230a_100000751104_100000211211 [0,0,0,1,0,1|1,0,1]=4 8545 B16R2.3014 C[C@@H](OC1CCOC1=O)c2ccccc2 34a_100000761318_100000211211 [0,0,0,1,0,1|1,0,1]=4 8546 B16R2.3014 C[C@@H](OC1CCOC1=O)c2ccccc2 7a_100000761318_100000211211 [0,0,0,1,0,1|1,0,1]=4 8547 B16R2.3014 O=C(NC1CCNC1=O)c2ccccc2 11a_100016995588_100000185807 [0,0,0,1,0,1|1,0,0]=3 8548 B16R2.3014 O=C(NC1CCNC1=O)c2ccccc2 1626a_100016995588_100000185807 [0,0,0,1,0,1|1,0,0]=3 8549 B16R2.3014 O=C(NC1CCNC1=O)c2ccccc2 240690a_100016995588_100000185807 [0,0,0,1,0,1|1,0,0]=3 8550 B16R2.3014 O=C(NC1CCNC1=O)c2ccccc2 527a_100016995588_100000185807 [0,0,0,1,0,1|1,0,0]=3 8551 B16R2.3014 O=C(NC1CCSC1=O)c2ccccc2 11a_100000184058_100000185807 [0,0,0,1,0,1|0,1,0]=3 8552 B16R2.3014 O=C(NC1CCSC1=O)c2ccccc2 1626a_100000184058_100000185807 [0,0,0,1,0,1|0,1,0]=3 8553 B16R2.3014 O=C(NC1CCSC1=O)c2ccccc2 240690a_100000184058_100000185807 [0,0,0,1,0,1|0,1,0]=3 8554 B16R2.3014 O=C(NC1CCSC1=O)c2ccccc2 527a_100000184058_100000185807 [0,0,0,1,0,1|0,1,0]=3 8555 B16R2.3014 O=C(N[C@@H]1CONC1=O)c2ccccc2 11a_100000765999_100000185807 [0,0,0,1,0,1|2,0,0]=4 8556 B16R2.3647 CCOC1CN(C1)C(=O)c2ccccc2 11a_100000732654_100000185807 [0,0,0,1,0,1|1,0,1]=4 8557 B16R2.3647 CCOC1CN(C1)C(=O)c2ccccc2 1626a_100000732654_100000185807 [0,0,0,1,0,1|1,0,1]=4 8558 B16R2.3647 CCOC1CN(C1)C(=O)c2ccccc2 240690a_100000732654_100000185807 [0,0,0,1,0,1|1,0,1]=4 8559 B16R2.3647 CCOC1CN(C1)C(=O)c2ccccc2 527a_100000732654_100000185807 [0,0,0,1,0,1|1,0,1]=4 8560 B16R2.5767 O=C(CCC1OCCO1)c2ccccc2 1458a_100000185807_100000740749 [0,0,0,1,0,1|0,0,2]=4 8561 B16R2.5767 O=C(NCC1OCCO1)c2ccccc2 11a_100000036311_100000185807 [0,0,0,1,0,1|0,0,2]=4 8562 B16R2.5767 O=C(NCC1OCCO1)c2ccccc2 1626a_100000036311_100000185807 [0,0,0,1,0,1|0,0,2]=4 8563 B16R2.5767 O=C(NCC1OCCO1)c2ccccc2 527a_100000036311_100000185807 [0,0,0,1,0,1|0,0,2]=4 8564 B16R2.5767 O=C(NC[C@@H]1CCCO1)c2ccccc2 11a_100020590478_100000185807 [0,0,0,1,0,1|1,0,1]=4 8565 B16R2.5767 O=C(NC[C@@H]1CCCO1)c2ccccc2 1626a_100020590478_100000185807 [0,0,0,1,0,1|1,0,1]=4 8566 B16R2.5767 O=C(NC[C@@H]1CCCO1)c2ccccc2 240690a_100020590478_100000185807 [0,0,0,1,0,1|1,0,1]=4 8567 B16R2.5767 O=C(NC[C@@H]1CCCO1)c2ccccc2 527a_100020590478_100000185807 [0,0,0,1,0,1|1,0,1]=4 8568 B16R2.146968 O=C(CCC(=O)C1CC1)c2ccccc2 1458a_100000210395_100000750707 [0,0,0,1,0,1|1,0,0]=3 8569 B16R2.146968 O=C(CCC(=O)C1CO1)c2ccccc2 1458a_100000701028_100000750707 [0,0,0,1,0,1|2,0,0]=4 8570 B16R2.146968 O=C(COC(=O)C1CC1)c2ccccc2 1458a_100000185807_100000140896 [0,0,0,1,0,1|1,0,0]=3 8571 B16R2.146968 O=C(NNC(=O)C1CC1)c2ccccc2 22a_100000183419_100000185807 [0,0,0,1,0,1|2,0,0]=4 8572 B16R2.146968 O=C(NNC(=O)C1CC1)c2ccccc2 22a_100000184135_100000210395 [0,0,0,1,0,1|2,0,0]=4 8573 B16R2.146968 O=C(OCC(=O)C1CC1)c2ccccc2 1458a_100000210395_100000073877 [0,0,0,1,0,1|1,0,0]=3 8574 B16R2.146968 O=C(OCC(=O)C1CO1)c2ccccc2 1458a_100000701028_100000073877 [0,0,0,1,0,1|2,0,0]=4 8575 B16R2.154585 CC#CC(=O)C1CC(=O)c2c1cccc2 1458a_100000763181_100010208147 [0,0,0,1,0,1|1,0,1]=4 8576 B16R2.154585 CC=CC(=O)C1CC(=O)c2c1cccc2 1458a_100000210699_100010208147 [0,0,0,1,0,1|1,0,1]=4 8577 B16R2.154585 CCCC(=O)C1CC(=O)c2c1cccc2 1458a_100000211992_100010208147 [0,0,0,1,0,1|1,0,0]=3 8578 B16R2.154585 COCC(=O)C1CC(=O)c2c1cccc2 1458a_100000210968_100010208147 [0,0,0,1,0,1|2,0,0]=4 8579 B16R2.154585 CSCC(=O)C1CC(=O)c2c1cccc2 1458a_100000184570_100010208147 [0,0,0,1,0,1|2,0,0]=4 8580 B16R2.154585 O=C1CC(c2c1cccc2)C(=O)CCO 1458a_100011216618_100010208147 [0,0,0,1,0,1|2,0,0]=4 8581 B16R2.159528 CCOC(=O)CSC1Cc2c1cccc2 62a_100000188475_100009813401 [0,0,0,1,0,1|1,0,1]=4 8582 B16R2.159528 CCOC(=O)CSC1Cc2c1cccc2 62a_100009813401_100000188475 [0,0,0,1,0,1|1,0,1]=4 8583 B16R2.524 O=C(CC1=CCCC1)Cc2ccccc2 1458a_100000050221_100015291786 [0,0,0,1,0,1|2,0,0]=4 8584 B16R2.524 O=C(CC1=CCCC1)Nc2ccccc2 11a_100000106764_100000050221 [0,0,0,1,0,1|2,0,0]=4 8585 B16R2.524 O=C(CC1=CCCC1)Nc2ccccc2 1626a_100000106764_100000050221 [0,0,0,1,0,1|2,0,0]=4 8586 B16R2.524 O=C(CC1=CCCC1)Nc2ccccc2 22a_100000106764_100000050221 [0,0,0,1,0,1|2,0,0]=4 8587 B16R2.524 O=C(CC1=CCCC1)Nc2ccccc2 527a_100000106764_100000050221 [0,0,0,1,0,1|2,0,0]=4 8588 B16R2.734 CCCC(=O)Cc1cc2ccccc2o1 1458a_100000735538_100000210303 [0,0,0,1,0,1|1,0,1]=4 8589 B16R2.734 CCCC(=O)Cc1cc2ccccc2s1 1458a_100012001211_100000210303 [0,0,0,1,0,1|1,1,0]=4 8590 B16R2.734 CCCC(=O)Cc1nc2ccccc2[nH]1 1458a_100000211992_100000737899 [0,0,0,1,0,1|2,0,0]=4 8591 B16R2.734 CCCC(=O)Cc1nc2ccccc2o1 1458a_100000211992_100000195508 [0,0,0,1,0,1|1,0,1]=4 8592 B16R2.734 CCCC(=O)Cc1nc2ccccc2o1 1458a_100015185861_100000210303 [0,0,0,1,0,1|1,0,1]=4 8593 B16R2.734 CCCC(=O)Cc1nc2ccccc2s1 1458a_100000211992_100011217541 [0,0,0,1,0,1|1,1,0]=4 8594 B16R2.734 CCNC(=O)Cc1cc2ccccc2[nH]1 11a_100015525214_100000066551 [0,0,0,1,0,1|2,0,0]=4 8595 B16R2.734 CCNC(=O)Cc1cc2ccccc2[nH]1 240690a_100015525214_100000066551 [0,0,0,1,0,1|2,0,0]=4 8596 B16R2.734 CCNC(=O)Cc1cc2ccccc2[nH]1 527a_100015525214_100000066551 [0,0,0,1,0,1|2,0,0]=4 8597 B16R2.734 CCNC(=O)Cc1cc2ccccc2o1 11a_100015525214_100000735538 [0,0,0,1,0,1|1,0,1]=4 8598 B16R2.734 CCNC(=O)Cc1cc2ccccc2o1 240690a_100015525214_100000735538 [0,0,0,1,0,1|1,0,1]=4 8599 B16R2.734 CCNC(=O)Cc1cc2ccccc2s1 11a_100015525214_100012001211 [0,0,0,1,0,1|1,1,0]=4 8600 B16R2.734 CCNC(=O)Cc1cc2ccccc2s1 240690a_100015525214_100012001211 [0,0,0,1,0,1|1,1,0]=4 8601 B16R2.734 CCNC(=O)Cc1nc2ccccc2[nH]1 240690a_100015525214_100000188031 [0,0,0,1,0,1|2,0,0]=4 8602 B16R2.734 CCNC(=O)Cc1nc2ccccc2s1 240690a_100015525214_100000747980 [0,0,0,1,0,1|1,1,0]=4 8603 B16R2.734 CCOC(=O)CN1Cc2ccccc2C1 2230a_100000752595_100000188475 [0,0,0,1,0,1|2,0,0]=4 8604 B16R2.734 CCOC(=O)CN1Cc2ccccc2C1 269982a_100000752595_100000188475 [0,0,0,1,0,1|2,0,0]=4 8605 B16R2.734 CCOC(=O)CN1Cc2ccccc2C1 34a_100000752595_100000188475 [0,0,0,1,0,1|2,0,0]=4 8606 B16R2.3005 CN(Cc1ccccc1)C2CCOC2=O 2230a_100000186898_100000211211 [0,0,0,1,0,1|2,0,0]=4 8607 B16R2.3005 CN(Cc1ccccc1)C2CCOC2=O 269982a_100000186898_100000211211 [0,0,0,1,0,1|2,0,0]=4 8608 B16R2.3005 O=C(C[n+]1ccccc1)C2CCOC2=O 1458a_200000086051_100000211211 [0,0,0,1,0,1|1,0,0]=3 8609 B16R2.3005 O=C(Cc1ccccn1)C2CCOC2=O 1458a_100000233486_100000211211 [0,0,0,1,0,1|1,0,0]=3 8610 B16R2.3005 O=C(Cc1cccnc1)C2CCOC2=O 1458a_100000737805_100000211211 [0,0,0,1,0,1|1,0,0]=3 8611 B16R2.3005 O=C(Cc1cncnc1)C2CCOC2=O 1458a_100000721575_100000211211 [0,0,0,1,0,1|2,0,0]=4 8612 B16R2.3005 O=C1CCCC1C(=O)C[n+]2ccccc2 1458a_200000086051_100000211823 [0,0,0,1,0,1|2,0,0]=4 8613 B16R2.3005 O=C1CCCC1C(=O)Cc2ccccn2 1458a_100000233486_100000211823 [0,0,0,1,0,1|2,0,0]=4 8614 B16R2.3005 O=C1CCCC1C(=O)Cc2cccnc2 1458a_100000737805_100000211823 [0,0,0,1,0,1|2,0,0]=4 8615 B16R2.27769 O=C(CC(=O)C1CC1)C[n+]2ccccc2 1458a_200000086051_100000746382 [0,0,0,1,0,1|2,0,0]=4 8616 B16R2.27769 O=C(CC(=O)C1CC1)Cc2ccccc2 1458a_100000210395_100000233483 [0,0,0,1,0,1|1,0,0]=3 8617 B16R2.27769 O=C(CC(=O)C1CC1)Cc2ccccn2 1458a_100000233486_100000746382 [0,0,0,1,0,1|2,0,0]=4 8618 B16R2.27769 O=C(CC(=O)C1CC1)Cc2cccnc2 1458a_100000737805_100000746382 [0,0,0,1,0,1|2,0,0]=4 8619 B16R2.27769 O=C(CC(=O)C1CC1)Nc2ccccc2 1458a_100000210395_100000182850 [0,0,0,1,0,1|1,0,0]=3 8620 B16R2.27769 O=C(CC(=O)C1CC1)Nc2ccccn2 1458a_100000210395_100020662008 [0,0,0,1,0,1|2,0,0]=4 8621 B16R2.27769 O=C(CC(=O)C1CC1)Nc2ccncc2 1458a_100000210395_100000754145 [0,0,0,1,0,1|2,0,0]=4 8622 B16R2.27769 O=C(CC(=O)C1CC1)Oc2ccccc2 1458a_100000210395_100009813826 [0,0,0,1,0,1|1,0,0]=3 8623 B16R2.27769 O=C(CC(=O)C1CO1)Cc2ccccc2 1458a_100000701028_100000233483 [0,0,0,1,0,1|2,0,0]=4 8624 B16R2.27769 O=C(CC(=O)C1CO1)Nc2ccccc2 1458a_100000701028_100000182850 [0,0,0,1,0,1|2,0,0]=4 8625 B16R2.27769 O=C(CC(=O)C1CO1)Oc2ccccc2 1458a_100000701028_100009813826 [0,0,0,1,0,1|2,0,0]=4 8626 B16R2.125 Cc1ccc(cc1)C(=O)CC2CCCO2 1458a_100000188618_100000203698 [0,1,0,1,0,0|1,0,1]=4 8627 B16R2.125 Cc1ccc(cc1)C(=O)CC2OCCO2 1458a_100000188618_100000755774 [0,1,0,1,0,0|0,0,2]=4 8628 B16R2.125 O=C(CC1CCCO1)c2ccc(cc2)Br 1458a_100000185839_100000203698 [0,1,0,1,0,0|1,0,1]=4 8629 B16R2.125 O=C(CC1CCCO1)c2ccc(cc2)Cl 1458a_100000210187_100000203698 [0,1,0,1,0,0|1,0,1]=4 8630 B16R2.125 O=C(CC1CCCO1)c2ccc(cc2)F 1458a_100000187176_100000203698 [0,1,0,1,0,0|1,0,1]=4 8631 B16R2.125 O=C(CC1CCCO1)c2ccc(cc2)I 1458a_100000187904_100000203698 [0,1,0,1,0,0|1,0,1]=4 8632 B16R2.125 O=C(CC1CCCO1)c2ccc(cc2)O 1458a_100000212099_100000203698 [0,1,0,1,0,0|1,0,1]=4 8633 B16R2.125 O=C(CC1OCCO1)c2ccc(cc2)Br 1458a_100000185839_100000755774 [0,1,0,1,0,0|0,0,2]=4 8634 B16R2.125 O=C(CC1OCCO1)c2ccc(cc2)Cl 1458a_100000210187_100000755774 [0,1,0,1,0,0|0,0,2]=4 8635 B16R2.125 O=C(CC1OCCO1)c2ccc(cc2)F 1458a_100000187176_100000755774 [0,1,0,1,0,0|0,0,2]=4 8636 B16R2.125 O=C(CC1OCCO1)c2ccc(cc2)I 1458a_100000187904_100000755774 [0,1,0,1,0,0|0,0,2]=4 8637 B16R2.125 O=C(CC1OCCO1)c2ccc(cc2)O 1458a_100000212099_100000755774 [0,1,0,1,0,0|0,0,2]=4 8638 B16R2.723 CCOC(=O)C1CC1c2ccc(cc2)Br 271570a_100010780539_100000752885 [0,1,0,1,0,0|1,0,1]=4 8639 B16R2.723 CCOC(=O)C1CC1c2ccc(cc2)C 271570a_100010780539_100000186775 [0,1,0,1,0,0|1,0,1]=4 8640 B16R2.723 CCOC(=O)C1CC1c2ccc(cc2)Cl 271570a_100010780539_100000755918 [0,1,0,1,0,0|1,0,1]=4 8641 B16R2.723 CCOC(=O)C1CC1c2ccc(cc2)F 271570a_100010780539_100000211213 [0,1,0,1,0,0|1,0,1]=4 8642 B16R2.723 CCOC(=O)C1CC1c2ccc(cc2)N 271570a_100010780539_100000185761 [0,1,0,1,0,0|1,0,1]=4 8643 B16R2.723 CCOC(=O)C1CC1c2ccc(cc2)O 271570a_100010780539_100000185759 [0,1,0,1,0,0|1,0,1]=4 8644 B16R2.1084 CN(c1ccc(cc1)Br)C2CCOC2=O 2230a_100000219623_100000211211 [0,1,0,1,0,0|2,0,0]=4 8645 B16R2.1084 CN(c1ccc(cc1)Br)C2CCOC2=O 269982a_100000219623_100000211211 [0,1,0,1,0,0|2,0,0]=4 8646 B16R2.1084 CN(c1ccc(cc1)Br)C2CCOC2=O 34a_100000219623_100000211211 [0,1,0,1,0,0|2,0,0]=4 8647 B16R2.1084 CN(c1ccc(cc1)Cl)C2CCOC2=O 2230a_100020629279_100000211211 [0,1,0,1,0,0|2,0,0]=4 8648 B16R2.1084 CN(c1ccc(cc1)Cl)C2CCOC2=O 269982a_100020629279_100000211211 [0,1,0,1,0,0|2,0,0]=4 8649 B16R2.1084 CN(c1ccc(cc1)Cl)C2CCOC2=O 34a_100020629279_100000211211 [0,1,0,1,0,0|2,0,0]=4 8650 B16R2.1084 CN(c1ccc(cc1)F)C2CCOC2=O 2230a_100000219829_100000211211 [0,1,0,1,0,0|2,0,0]=4 8651 B16R2.1084 CN(c1ccc(cc1)F)C2CCOC2=O 269982a_100000219829_100000211211 [0,1,0,1,0,0|2,0,0]=4 8652 B16R2.1084 CN(c1ccc(cc1)F)C2CCOC2=O 34a_100000219829_100000211211 [0,1,0,1,0,0|2,0,0]=4 8653 B16R2.1084 CN(c1ccc(cc1)I)C2CCOC2=O 2230a_100000743151_100000211211 [0,1,0,1,0,0|2,0,0]=4 8654 B16R2.1084 CN(c1ccc(cc1)I)C2CCOC2=O 269982a_100000743151_100000211211 [0,1,0,1,0,0|2,0,0]=4 8655 B16R2.1084 CN(c1ccc(cc1)I)C2CCOC2=O 34a_100000743151_100000211211 [0,1,0,1,0,0|2,0,0]=4 8656 B16R2.1084 CN(c1ccc(cc1)O)C2CCOC2=O 269982a_100000182112_100000211211 [0,1,0,1,0,0|2,0,0]=4 8657 B16R2.1084 CN(c1ccc(cc1)O)C2CCOC2=O 34a_100000182112_100000211211 [0,1,0,1,0,0|2,0,0]=4 8658 B16R2.1084 Cc1ccc(cc1)C(=O)C2CCCC2=O 1458a_100000188618_100000211823 [0,1,0,1,0,0|1,0,0]=3 8659 B16R2.1084 Cc1ccc(cc1)C(=O)C2CCOC2=O 1458a_100000188618_100000211211 [0,1,0,1,0,0|0,0,0]=2 8660 B16R2.1084 Cc1ccc(cc1)N(C)C2CCOC2=O 2230a_100000219977_100000211211 [0,1,0,1,0,0|2,0,0]=4 8661 B16R2.1084 Cc1ccc(cc1)N(C)C2CCOC2=O 269982a_100000219977_100000211211 [0,1,0,1,0,0|2,0,0]=4 8662 B16R2.1084 Cc1ccc(cc1)N(C)C2CCOC2=O 34a_100000219977_100000211211 [0,1,0,1,0,0|2,0,0]=4 8663 B16R2.1084 O=C1CCCC1C(=O)c2ccc(cc2)Br 1458a_100000185839_100000211823 [0,1,0,1,0,0|1,0,0]=3 8664 B16R2.1084 O=C1CCCC1C(=O)c2ccc(cc2)Cl 1458a_100000210187_100000211823 [0,1,0,1,0,0|1,0,0]=3 8665 B16R2.1084 O=C1CCCC1C(=O)c2ccc(cc2)F 1458a_100000187176_100000211823 [0,1,0,1,0,0|1,0,0]=3 8666 B16R2.1084 O=C1CCCC1C(=O)c2ccc(cc2)I 1458a_100000187904_100000211823 [0,1,0,1,0,0|1,0,0]=3 8667 B16R2.1084 O=C1CCCC1C(=O)c2ccc(cc2)O 1458a_100000212099_100000211823 [0,1,0,1,0,0|1,0,0]=3 8668 B16R2.1084 O=C1OCCC1C(=O)c2ccc(cc2)Br 1458a_100000185839_100000211211 [0,1,0,1,0,0|0,0,0]=2 8669 B16R2.1084 O=C1OCCC1C(=O)c2ccc(cc2)Cl 1458a_100000210187_100000211211 [0,1,0,1,0,0|0,0,0]=2 8670 B16R2.1084 O=C1OCCC1C(=O)c2ccc(cc2)F 1458a_100000187176_100000211211 [0,1,0,1,0,0|0,0,0]=2 8671 B16R2.1084 O=C1OCCC1C(=O)c2ccc(cc2)I 1458a_100000187904_100000211211 [0,1,0,1,0,0|0,0,0]=2 8672 B16R2.1084 O=C1OCCC1C(=O)c2ccc(cc2)O 1458a_100000212099_100000211211 [0,1,0,1,0,0|0,0,0]=2 8673 B16R2.11554 Cc1ccc(cc1)C(=O)CC(=O)C2CC2 1458a_100000188618_100000746382 [0,1,0,1,0,0|1,0,0]=3 8674 B16R2.11554 Cc1ccc(cc1)C(=O)CC(=O)C2CC2 1458a_100000210395_100000211441 [0,1,0,1,0,0|1,0,0]=3 8675 B16R2.11554 Cc1ccc(cc1)C(=O)CC(=O)C2CO2 1458a_100000701028_100000211441 [0,1,0,1,0,0|2,0,0]=4 8676 B16R2.11554 Cc1ccc(cn1)C(=O)CC(=O)C2CC2 1458a_100000210395_100012027583 [0,1,0,1,0,0|2,0,0]=4 8677 B16R2.11554 O=C(CC(=O)C1CC1)c2ccc(cc2)Br 1458a_100000185839_100000746382 [0,1,0,1,0,0|1,0,0]=3 8678 B16R2.11554 O=C(CC(=O)C1CC1)c2ccc(cc2)Br 1458a_100000210395_100000188085 [0,1,0,1,0,0|1,0,0]=3 8679 B16R2.11554 O=C(CC(=O)C1CC1)c2ccc(cc2)Cl 1458a_100000210187_100000746382 [0,1,0,1,0,0|1,0,0]=3 8680 B16R2.11554 O=C(CC(=O)C1CC1)c2ccc(cc2)Cl 1458a_100000210395_100000211071 [0,1,0,1,0,0|1,0,0]=3 8681 B16R2.11554 O=C(CC(=O)C1CC1)c2ccc(cc2)F 1458a_100000187176_100000746382 [0,1,0,1,0,0|1,0,0]=3 8682 B16R2.11554 O=C(CC(=O)C1CC1)c2ccc(cc2)F 1458a_100000210395_100000211279 [0,1,0,1,0,0|1,0,0]=3 8683 B16R2.11554 O=C(CC(=O)C1CC1)c2ccc(cc2)I 1458a_100000187904_100000746382 [0,1,0,1,0,0|1,0,0]=3 8684 B16R2.11554 O=C(CC(=O)C1CC1)c2ccc(cc2)I 1458a_100000210395_100011216261 [0,1,0,1,0,0|1,0,0]=3 8685 B16R2.11554 O=C(CC(=O)C1CC1)c2ccc(cc2)O 1458a_100000210395_100009814261 [0,1,0,1,0,0|1,0,0]=3 8686 B16R2.11554 O=C(CC(=O)C1CC1)c2ccc(cc2)O 1458a_100000212099_100000746382 [0,1,0,1,0,0|1,0,0]=3 8687 B16R2.11554 O=C(CC(=O)C1CC1)c2ccc(cn2)Cl 1458a_100000210395_100016989621 [0,1,0,1,0,0|2,0,0]=4 8688 B16R2.11554 O=C(CC(=O)C1CC1)c2ccc(nc2)Cl 1458a_100000210395_100009864725 [0,1,0,1,0,0|2,0,0]=4 8689 B16R2.11554 O=C(CC(=O)C1CO1)c2ccc(cc2)Br 1458a_100000701028_100000188085 [0,1,0,1,0,0|2,0,0]=4 8690 B16R2.11554 O=C(CC(=O)C1CO1)c2ccc(cc2)Cl 1458a_100000701028_100000211071 [0,1,0,1,0,0|2,0,0]=4 8691 B16R2.11554 O=C(CC(=O)C1CO1)c2ccc(cc2)F 1458a_100000701028_100000211279 [0,1,0,1,0,0|2,0,0]=4 8692 B16R2.11554 O=C(CC(=O)C1CO1)c2ccc(cc2)I 1458a_100000701028_100011216261 [0,1,0,1,0,0|2,0,0]=4 8693 B16R2.11554 O=C(CC(=O)C1CO1)c2ccc(cc2)O 1458a_100000701028_100009814261 [0,1,0,1,0,0|2,0,0]=4 8694 B16R2.243 Cc1cccc(c1)C(=O)CC2CCCO2 1458a_100000189346_100000203698 [0,1,0,1,0,0|1,0,1]=4 8695 B16R2.243 Cc1cccc(c1)C(=O)CC2OCCO2 1458a_100000189346_100000755774 [0,1,0,1,0,0|0,0,2]=4 8696 B16R2.243 O=C(CC1CCCO1)c2cccc(c2)Br 1458a_100000210664_100000203698 [0,1,0,1,0,0|1,0,1]=4 8697 B16R2.243 O=C(CC1CCCO1)c2cccc(c2)Cl 1458a_100000210390_100000203698 [0,1,0,1,0,0|1,0,1]=4 8698 B16R2.243 O=C(CC1CCCO1)c2cccc(c2)F 1458a_100000210950_100000203698 [0,1,0,1,0,0|1,0,1]=4 8699 B16R2.243 O=C(CC1CCCO1)c2cccc(c2)I 1458a_100000184098_100000203698 [0,1,0,1,0,0|1,0,1]=4 8700 B16R2.243 O=C(CC1CCCO1)c2cccc(c2)O 1458a_100000183914_100000203698 [0,1,0,1,0,0|1,0,1]=4 8701 B16R2.243 O=C(CC1OCCO1)c2cccc(c2)Br 1458a_100000210664_100000755774 [0,1,0,1,0,0|0,0,2]=4 8702 B16R2.243 O=C(CC1OCCO1)c2cccc(c2)Cl 1458a_100000210390_100000755774 [0,1,0,1,0,0|0,0,2]=4 8703 B16R2.243 O=C(CC1OCCO1)c2cccc(c2)F 1458a_100000210950_100000755774 [0,1,0,1,0,0|0,0,2]=4 8704 B16R2.243 O=C(CC1OCCO1)c2cccc(c2)I 1458a_100000184098_100000755774 [0,1,0,1,0,0|0,0,2]=4 8705 B16R2.243 O=C(CC1OCCO1)c2cccc(c2)O 1458a_100000183914_100000755774 [0,1,0,1,0,0|0,0,2]=4 8706 B16R2.11889 Cc1cccc(c1)C(=O)CC(=O)C2CC2 1458a_100000189346_100000746382 [0,1,0,1,0,0|1,0,0]=3 8707 B16R2.11889 Cc1cccc(c1)C(=O)CC(=O)C2CC2 1458a_100000210395_100000739480 [0,1,0,1,0,0|1,0,0]=3 8708 B16R2.11889 Cc1cccc(c1)C(=O)CC(=O)C2CO2 1458a_100000701028_100000739480 [0,1,0,1,0,0|2,0,0]=4 8709 B16R2.11889 O=C(CC(=O)C1CC1)c2cccc(c2)Br 1458a_100000210395_100000212080 [0,1,0,1,0,0|1,0,0]=3 8710 B16R2.11889 O=C(CC(=O)C1CC1)c2cccc(c2)Br 1458a_100000210664_100000746382 [0,1,0,1,0,0|1,0,0]=3 8711 B16R2.11889 O=C(CC(=O)C1CC1)c2cccc(c2)Cl 1458a_100000210390_100000746382 [0,1,0,1,0,0|1,0,0]=3 8712 B16R2.11889 O=C(CC(=O)C1CC1)c2cccc(c2)Cl 1458a_100000210395_100000211444 [0,1,0,1,0,0|1,0,0]=3 8713 B16R2.11889 O=C(CC(=O)C1CC1)c2cccc(c2)F 1458a_100000210395_100000215616 [0,1,0,1,0,0|1,0,0]=3 8714 B16R2.11889 O=C(CC(=O)C1CC1)c2cccc(c2)F 1458a_100000210950_100000746382 [0,1,0,1,0,0|1,0,0]=3 8715 B16R2.11889 O=C(CC(=O)C1CC1)c2cccc(c2)I 1458a_100000184098_100000746382 [0,1,0,1,0,0|1,0,0]=3 8716 B16R2.11889 O=C(CC(=O)C1CC1)c2cccc(c2)O 1458a_100000183914_100000746382 [0,1,0,1,0,0|1,0,0]=3 8717 B16R2.11889 O=C(CC(=O)C1CC1)c2cccc(c2)O 1458a_100000210395_100009813753 [0,1,0,1,0,0|1,0,0]=3 8718 B16R2.11889 O=C(CC(=O)C1CC1)c2ccnc(c2)Cl 1458a_100000210395_100009817076 [0,1,0,1,0,0|2,0,0]=4 8719 B16R2.11889 O=C(CC(=O)C1CO1)c2cccc(c2)Br 1458a_100000701028_100000212080 [0,1,0,1,0,0|2,0,0]=4 8720 B16R2.11889 O=C(CC(=O)C1CO1)c2cccc(c2)Cl 1458a_100000701028_100000211444 [0,1,0,1,0,0|2,0,0]=4 8721 B16R2.11889 O=C(CC(=O)C1CO1)c2cccc(c2)F 1458a_100000701028_100000215616 [0,1,0,1,0,0|2,0,0]=4 8722 B16R2.11889 O=C(CC(=O)C1CO1)c2cccc(c2)O 1458a_100000701028_100009813753 [0,1,0,1,0,0|2,0,0]=4 8723 B16R2.25698 CN(c1cccc(c1)Br)C2CCOC2=O 2230a_100000219648_100000211211 [0,1,0,1,0,0|2,0,0]=4 8724 B16R2.25698 CN(c1cccc(c1)Br)C2CCOC2=O 269982a_100000219648_100000211211 [0,1,0,1,0,0|2,0,0]=4 8725 B16R2.25698 CN(c1cccc(c1)Br)C2CCOC2=O 34a_100000219648_100000211211 [0,1,0,1,0,0|2,0,0]=4 8726 B16R2.25698 CN(c1cccc(c1)Cl)C2CCOC2=O 2230a_100000220044_100000211211 [0,1,0,1,0,0|2,0,0]=4 8727 B16R2.25698 CN(c1cccc(c1)Cl)C2CCOC2=O 269982a_100000220044_100000211211 [0,1,0,1,0,0|2,0,0]=4 8728 B16R2.25698 CN(c1cccc(c1)Cl)C2CCOC2=O 34a_100000220044_100000211211 [0,1,0,1,0,0|2,0,0]=4 8729 B16R2.25698 CN(c1cccc(c1)F)C2CCOC2=O 2230a_100020633736_100000211211 [0,1,0,1,0,0|2,0,0]=4 8730 B16R2.25698 CN(c1cccc(c1)F)C2CCOC2=O 269982a_100020633736_100000211211 [0,1,0,1,0,0|2,0,0]=4 8731 B16R2.25698 CN(c1cccc(c1)F)C2CCOC2=O 34a_100020633736_100000211211 [0,1,0,1,0,0|2,0,0]=4 8732 B16R2.25698 CN(c1cccc(c1)I)C2CCOC2=O 2230a_100000221217_100000211211 [0,1,0,1,0,0|2,0,0]=4 8733 B16R2.25698 CN(c1cccc(c1)I)C2CCOC2=O 269982a_100000221217_100000211211 [0,1,0,1,0,0|2,0,0]=4 8734 B16R2.25698 CN(c1cccc(c1)I)C2CCOC2=O 34a_100000221217_100000211211 [0,1,0,1,0,0|2,0,0]=4 8735 B16R2.25698 CN(c1cccc(c1)O)C2CCOC2=O 2230a_100000756613_100000211211 [0,1,0,1,0,0|2,0,0]=4 8736 B16R2.25698 CN(c1cccc(c1)O)C2CCOC2=O 269982a_100000756613_100000211211 [0,1,0,1,0,0|2,0,0]=4 8737 B16R2.25698 CN(c1cccc(c1)O)C2CCOC2=O 34a_100000756613_100000211211 [0,1,0,1,0,0|2,0,0]=4 8738 B16R2.25698 Cc1cccc(c1)C(=O)C2CCCC2=O 1458a_100000189346_100000211823 [0,1,0,1,0,0|1,0,0]=3 8739 B16R2.25698 Cc1cccc(c1)C(=O)C2CCOC2=O 1458a_100000189346_100000211211 [0,1,0,1,0,0|0,0,0]=2 8740 B16R2.25698 Cc1cccc(c1)N(C)C2CCOC2=O 2230a_100000219674_100000211211 [0,1,0,1,0,0|2,0,0]=4 8741 B16R2.25698 Cc1cccc(c1)N(C)C2CCOC2=O 269982a_100000219674_100000211211 [0,1,0,1,0,0|2,0,0]=4 8742 B16R2.25698 Cc1cccc(c1)N(C)C2CCOC2=O 34a_100000219674_100000211211 [0,1,0,1,0,0|2,0,0]=4 8743 B16R2.25698 O=C1CCCC1C(=O)c2cccc(c2)Br 1458a_100000210664_100000211823 [0,1,0,1,0,0|1,0,0]=3 8744 B16R2.25698 O=C1CCCC1C(=O)c2cccc(c2)Cl 1458a_100000210390_100000211823 [0,1,0,1,0,0|1,0,0]=3 8745 B16R2.25698 O=C1CCCC1C(=O)c2cccc(c2)F 1458a_100000210950_100000211823 [0,1,0,1,0,0|1,0,0]=3 8746 B16R2.25698 O=C1CCCC1C(=O)c2cccc(c2)I 1458a_100000184098_100000211823 [0,1,0,1,0,0|1,0,0]=3 8747 B16R2.25698 O=C1CCCC1C(=O)c2cccc(c2)O 1458a_100000183914_100000211823 [0,1,0,1,0,0|1,0,0]=3 8748 B16R2.25698 O=C1OCCC1C(=O)c2cccc(c2)Br 1458a_100000210664_100000211211 [0,1,0,1,0,0|0,0,0]=2 8749 B16R2.25698 O=C1OCCC1C(=O)c2cccc(c2)Cl 1458a_100000210390_100000211211 [0,1,0,1,0,0|0,0,0]=2 8750 B16R2.25698 O=C1OCCC1C(=O)c2cccc(c2)F 1458a_100000210950_100000211211 [0,1,0,1,0,0|0,0,0]=2 8751 B16R2.25698 O=C1OCCC1C(=O)c2cccc(c2)I 1458a_100000184098_100000211211 [0,1,0,1,0,0|0,0,0]=2 8752 B16R2.25698 O=C1OCCC1C(=O)c2cccc(c2)O 1458a_100000183914_100000211211 [0,1,0,1,0,0|0,0,0]=2 8753 B16R2.28948 CCOC(=O)C1CC1c2cccc(c2)Br 271570a_100010780539_100000691529 [0,1,0,1,0,0|1,0,1]=4 8754 B16R2.28948 CCOC(=O)C1CC1c2cccc(c2)C 271570a_100010780539_100011215228 [0,1,0,1,0,0|1,0,1]=4 8755 B16R2.28948 CCOC(=O)C1CC1c2cccc(c2)Cl 271570a_100010780539_100000699651 [0,1,0,1,0,0|1,0,1]=4 8756 B16R2.28948 CCOC(=O)C1CC1c2cccc(c2)F 271570a_100010780539_100000685547 [0,1,0,1,0,0|1,0,1]=4 8757 B16R2.28948 CCOC(=O)C1CC1c2cccc(c2)N 271570a_100010780539_100000210019 [0,1,0,1,0,0|1,0,1]=4 8758 B16R2.28948 CCOC(=O)C1CC1c2cccc(c2)O 271570a_100010780539_100000211634 [0,1,0,1,0,0|1,0,1]=4 8759 B16R2.28948 CCOC(=O)C1CC1c2cccc(c2)[S] 271570a_100010780539_114929384022 [0,1,0,1,0,0|1,0,1]=4 8760 B16R2.28948 CCOC(=O)[C@@H]1C[C@H]1c2cccc(c2)O 271570a_203496583355_100103306034 [0,1,0,1,0,0|1,0,1]=4 8761 B16R2.88 O=C(CC1CCCCO1)c2ccccc2 1458a_100000185807_100000211543 [0,1,0,1,0,0|1,0,1]=4 8762 B16R2.88 O=C(CC1CCCOC1)c2ccccc2 1458a_100000185807_100000741521 [0,1,0,1,0,0|1,0,1]=4 8763 B16R2.88 O=C(CN1CCCOC1)c2ccccc2 269982a_100000131196_100000211460 [0,1,0,1,0,0|2,0,0]=4 8764 B16R2.2829 Cc1cc(no1)CC(=O)c2ccccc2 1458a_100000185807_100000199038 [0,1,0,1,0,0|1,0,1]=4 8765 B16R2.2829 Cc1cc(on1)CC(=O)c2ccccc2 1458a_100000185807_100000707947 [0,1,0,1,0,0|1,0,1]=4 8766 B16R2.2829 Cc1nc(no1)CC(=O)c2ccccc2 1458a_100000185807_100000231061 [0,1,0,1,0,0|1,0,1]=4 8767 B16R2.2829 Cc1nnc(o1)CC(=O)c2ccccc2 1458a_100000185807_100000181450 [0,1,0,1,0,0|1,0,1]=4 8768 B16R2.2829 Cc1noc(n1)CC(=O)c2ccccc2 1458a_100000185807_100000735555 [0,1,0,1,0,0|1,0,1]=4 8769 B16R2.3896 O=C1CCCCC1C(=O)c2ccccc2 1458a_100000185807_100000204591 [0,1,0,1,0,0|1,0,0]=3 8770 B16R2.3896 O=C1CCOCC1C(=O)c2ccccc2 1458a_100000185807_100012180262 [0,1,0,1,0,0|1,0,0]=3 8771 B16R2.3896 O=C1NCCCC1C(=O)c2ccccc2 1458a_100000185807_100000687798 [0,1,0,1,0,0|1,0,0]=3 8772 B16R2.4101 CC1CC1C(=O)CC(=O)c2ccccc2 1458a_100000211227_100000211460 [0,1,0,1,0,0|1,0,0]=3 8773 B16R2.4101 CC1CC1C(=O)CC(=O)c2ccccn2 1458a_100000211227_100000027445 [0,1,0,1,0,0|2,0,0]=4 8774 B16R2.4101 CC1CC1C(=O)CC(=O)c2cccnc2 1458a_100000211227_100015188593 [0,1,0,1,0,0|2,0,0]=4 8775 B16R2.4101 CC1CC1C(=O)CC(=O)c2ccncc2 1458a_100000211227_100000027454 [0,1,0,1,0,0|2,0,0]=4 8776 B16R2.4101 O=C(CC(=O)[C@@H]1C[C@@H]1F)c2ccccc2 1458a_100015396687_100000211460 [0,1,0,1,0,0|1,0,0]=3 8777 B16R2.4101 O=C(CC(=O)[C@@H]1C[C@@H]1F)c2ccccn2 1458a_100015396687_100000027445 [0,1,0,1,0,0|2,0,0]=4 8778 B16R2.4101 O=C(CC(=O)[C@@H]1C[C@@H]1F)c2cccnc2 1458a_100015396687_100015188593 [0,1,0,1,0,0|2,0,0]=4 8779 B16R2.4101 O=C(CC(=O)[C@@H]1C[C@@H]1F)c2ccncc2 1458a_100015396687_100000027454 [0,1,0,1,0,0|2,0,0]=4 8780 B16R2.5948 CC1=NNC(=O)C1C(=O)c2ccccc2 1458a_100000185807_200009843013 [0,1,0,1,0,0|1,0,1]=4 8781 B16R2.11321 CC(CC(=O)C1CCO1)c2ccccc2 1458a_100000089072_100000756946 [0,1,0,1,0,0|1,0,1]=4 8782 B16R2.11321 O=C(CC(=O)C1CCC1)c2ccccc2 1458a_100000185807_100000686122 [0,1,0,1,0,0|1,0,0]=3 8783 B16R2.11321 O=C(CC(=O)C1CCC1)c2ccccc2 1458a_100000209988_100000211460 [0,1,0,1,0,0|1,0,0]=3 8784 B16R2.11321 O=C(CC(=O)C1CCC1)c2ccccn2 1458a_100000209988_100000027445 [0,1,0,1,0,0|2,0,0]=4 8785 B16R2.11321 O=C(CC(=O)C1CCC1)c2cccnc2 1458a_100000209988_100015188593 [0,1,0,1,0,0|2,0,0]=4 8786 B16R2.11321 O=C(CC(=O)C1CCC1)c2ccncc2 1458a_100000209988_100000027454 [0,1,0,1,0,0|2,0,0]=4 8787 B16R2.11321 O=C(CC(=O)C1CCO1)c2ccccc2 1458a_100000089072_100000211460 [0,1,0,1,0,0|0,0,0]=2 8788 B16R2.11321 O=C(CC(=O)C1CCO1)c2ccccn2 1458a_100000089072_100000027445 [0,1,0,1,0,0|1,0,0]=3 8789 B16R2.11321 O=C(CC(=O)C1CCO1)c2cccnc2 1458a_100000089072_100015188593 [0,1,0,1,0,0|1,0,0]=3 8790 B16R2.11321 O=C(CC(=O)C1CCO1)c2ccncc2 1458a_100000089072_100000027454 [0,1,0,1,0,0|1,0,0]=3 8791 B16R2.11321 O=C(CC(=O)C1CCO1)c2ncccn2 1458a_100000089072_100020636365 [0,1,0,1,0,0|2,0,0]=4 8792 B16R2.11321 O=C(CC(=O)C1COC1)c2ccccc2 1458a_100000758290_100000211460 [0,1,0,1,0,0|1,0,0]=3 8793 B16R2.11321 O=C(CC(=O)C1COC1)c2ccccn2 1458a_100000758290_100000027445 [0,1,0,1,0,0|2,0,0]=4 8794 B16R2.11321 O=C(CC(=O)C1COC1)c2cccnc2 1458a_100000758290_100015188593 [0,1,0,1,0,0|2,0,0]=4 8795 B16R2.11321 O=C(CC(=O)C1COC1)c2ccncc2 1458a_100000758290_100000027454 [0,1,0,1,0,0|2,0,0]=4 8796 B16R2.11321 O=C(CC(=O)N1CCC1)c2ccccc2 1458a_100000185807_100000185095 [0,1,0,1,0,0|1,0,0]=3 8797 B16R2.11321 O=C(CC(O)c1ccccc1)C2CCO2 1458a_100000089072_100000185958 [0,1,0,1,0,0|0,0,2]=4 8798 B16R2.11321 O=C(C[C@@H](O)c1ccccc1)C2CCO2 1458a_100000089072_100011933945 [0,1,0,1,0,0|0,0,2]=4 8799 B16R2.27712 O=C(CC(=O)c1ccccc1)CC2CC2 1458a_100000738066_100000211460 [0,1,0,1,0,0|1,0,0]=3 8800 B16R2.27712 O=C(CC(=O)c1ccccc1)NC2CC2 1458a_100000185807_100000182950 [0,1,0,1,0,0|1,0,0]=3 8801 B16R2.27712 O=C(CC(=O)c1ccccn1)CC2CC2 1458a_100000738066_100000027445 [0,1,0,1,0,0|2,0,0]=4 8802 B16R2.27712 O=C(CC(=O)c1cccnc1)CC2CC2 1458a_100000738066_100015188593 [0,1,0,1,0,0|2,0,0]=4 8803 B16R2.27712 O=C(CC(=O)c1ccncc1)CC2CC2 1458a_100000738066_100000027454 [0,1,0,1,0,0|2,0,0]=4 8804 B16R2.757 CC#CC(=O)C1Cc2ccccc2C1=O 1458a_100000763181_100011218503 [0,1,0,1,0,0|1,0,1]=4 8805 B16R2.757 CC=CC(=O)C1Cc2ccccc2C1=O 1458a_100000210699_100011218503 [0,1,0,1,0,0|1,0,1]=4 8806 B16R2.757 CCCC(=O)C1Cc2ccccc2C1=O 1458a_100000211992_100011218503 [0,1,0,1,0,0|1,0,0]=3 8807 B16R2.757 COCC(=O)C1Cc2ccccc2C1=O 1458a_100000210968_100011218503 [0,1,0,1,0,0|2,0,0]=4 8808 B16R2.757 CSCC(=O)C1Cc2ccccc2C1=O 1458a_100000184570_100011218503 [0,1,0,1,0,0|2,0,0]=4 8809 B16R2.757 O=C(CCO)C1Cc2ccccc2C1=O 1458a_100011216618_100011218503 [0,1,0,1,0,0|2,0,0]=4 8810 B16R2.52776 CC(C(=O)c1ccccc1)C(=O)C2CC2 1458a_100000210395_100000239700 [0,1,0,1,0,0|1,0,0]=3 8811 B16R2.52776 CC(C(=O)c1ccccc1)C(=O)C2CO2 1458a_100000701028_100000239700 [0,1,0,1,0,0|2,0,0]=4 8812 B16R2.27729 O=C(CS(=O)(=O)c1ccccc1)C2CC2 1458a_100000210395_100000240042 [0,1,0,1,0,0|2,0,0]=4 8813 B16R2.5972 CN1CCC(C1=O)C(=O)c2ccccc2 1458a_100000185807_100000755940 [0,1,0,1,0,0|1,0,0]=3 8814 B16R2.78790 CC1(CC1)C(=O)CC(=O)c2ccccc2 1458a_100000756474_100000211460 [0,1,0,1,0,0|1,0,0]=3 8815 B16R2.78790 CC1(CC1)C(=O)CC(=O)c2ccccn2 1458a_100000756474_100000027445 [0,1,0,1,0,0|2,0,0]=4 8816 B16R2.78790 CC1(CC1)C(=O)CC(=O)c2cccnc2 1458a_100000756474_100015188593 [0,1,0,1,0,0|2,0,0]=4 8817 B16R2.78790 CC1(CC1)C(=O)CC(=O)c2ccncc2 1458a_100000756474_100000027454 [0,1,0,1,0,0|2,0,0]=4 8818 B16R2.78790 O=C(CC(=O)C1(CC1)F)c2ccccc2 1458a_100000055089_100000211460 [0,1,0,1,0,0|1,0,0]=3 8819 B16R2.78790 O=C(CC(=O)C1(CC1)F)c2ccccn2 1458a_100000055089_100000027445 [0,1,0,1,0,0|2,0,0]=4 8820 B16R2.78790 O=C(CC(=O)C1(CC1)F)c2cccnc2 1458a_100000055089_100015188593 [0,1,0,1,0,0|2,0,0]=4 8821 B16R2.78790 O=C(CC(=O)C1(CC1)F)c2ccncc2 1458a_100000055089_100000027454 [0,1,0,1,0,0|2,0,0]=4 8822 B16R2.78790 O=C(CC(=O)C1(CC1)O)c2ccccc2 1458a_100000241761_100000211460 [0,1,0,1,0,0|1,0,0]=3 8823 B16R2.78790 O=C(CC(=O)C1(CC1)O)c2ccccn2 1458a_100000241761_100000027445 [0,1,0,1,0,0|2,0,0]=4 8824 B16R2.78790 O=C(CC(=O)C1(CC1)O)c2cccnc2 1458a_100000241761_100015188593 [0,1,0,1,0,0|2,0,0]=4 8825 B16R2.78790 O=C(CC(=O)C1(CC1)O)c2ccncc2 1458a_100000241761_100000027454 [0,1,0,1,0,0|2,0,0]=4 8826 B16R2.5 CCCC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000210303 [0,1,0,1,0,0|2,0,0]=4 8827 B16R2.5 CCCC(=O)Cc1coc2c1cccc2 1458a_100000217546_100000210303 [0,1,0,1,0,0|1,0,1]=4 8828 B16R2.5 CCCC(=O)Cc1csc2c1cccc2 1458a_100000211992_200000742921 [0,1,0,1,0,0|1,1,0]=4 8829 B16R2.5 CCCC(=O)Cc1csc2c1cccc2 1458a_100000741031_100000210303 [0,1,0,1,0,0|1,1,0]=4 8830 B16R2.5 CCCC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_100000210303 [0,1,0,1,0,0|2,0,0]=4 8831 B16R2.5 CCCC(=O)Cc1noc2c1cccc2 1458a_100000205995_100000210303 [0,1,0,1,0,0|1,0,1]=4 8832 B16R2.5 CCCC(=O)Cc1noc2c1cccc2 1458a_100000211992_100009813815 [0,1,0,1,0,0|1,0,1]=4 8833 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 11a_100015525214_100000183835 [0,1,0,1,0,0|2,0,0]=4 8834 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 240690a_100015525214_100000183835 [0,1,0,1,0,0|2,0,0]=4 8835 B16R2.5 CCNC(=O)Cc1c[nH]c2c1cccc2 527a_100015525214_100000183835 [0,1,0,1,0,0|2,0,0]=4 8836 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 11a_100015525214_100000217546 [0,1,0,1,0,0|1,0,1]=4 8837 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 240690a_100015525214_100000217546 [0,1,0,1,0,0|1,0,1]=4 8838 B16R2.5 CCNC(=O)Cc1coc2c1cccc2 527a_100015525214_100000217546 [0,1,0,1,0,0|1,0,1]=4 8839 B16R2.5 CCNC(=O)Cc1csc2c1cccc2 11a_100015525214_100000741031 [0,1,0,1,0,0|1,1,0]=4 8840 B16R2.5 CCNC(=O)Cc1csc2c1cccc2 240690a_100015525214_100000741031 [0,1,0,1,0,0|1,1,0]=4 8841 B16R2.5 CCNC(=O)Cc1csc2c1cccc2 527a_100015525214_100000741031 [0,1,0,1,0,0|1,1,0]=4 8842 B16R2.5 CCNC(=O)Cc1n[nH]c2c1cccc2 240690a_100015525214_100000044345 [0,1,0,1,0,0|2,0,0]=4 8843 B16R2.5 CCNC(=O)Cc1n[nH]c2c1cccc2 527a_100015525214_100000044345 [0,1,0,1,0,0|2,0,0]=4 8844 B16R2.5 CCNC(=O)Cc1noc2c1cccc2 11a_100015525214_100000205995 [0,1,0,1,0,0|1,0,1]=4 8845 B16R2.5 CCNC(=O)Cc1noc2c1cccc2 240690a_100015525214_100000205995 [0,1,0,1,0,0|1,0,1]=4 8846 B16R2.2217 CCN(c1ccccc1)C2CCOC2=O 2230a_100000210013_100000211211 [0,1,0,1,0,0|2,0,0]=4 8847 B16R2.2217 CCN(c1ccccc1)C2CCOC2=O 269982a_100000210013_100000211211 [0,1,0,1,0,0|2,0,0]=4 8848 B16R2.2217 CCN(c1ccccc1)C2CCOC2=O 34a_100000210013_100000211211 [0,1,0,1,0,0|2,0,0]=4 8849 B16R2.2965 Cc1ccccc1C(=O)CC2CCCO2 1458a_100000212026_100000203698 [0,1,0,1,0,0|1,0,1]=4 8850 B16R2.2965 Cc1ccccc1C(=O)CC2OCCO2 1458a_100000212026_100000755774 [0,1,0,1,0,0|0,0,2]=4 8851 B16R2.2965 O=C(CC1CCCO1)c2ccccc2Br 1458a_100000188424_100000203698 [0,1,0,1,0,0|1,0,1]=4 8852 B16R2.2965 O=C(CC1CCCO1)c2ccccc2Cl 1458a_100000185844_100000203698 [0,1,0,1,0,0|1,0,1]=4 8853 B16R2.2965 O=C(CC1CCCO1)c2ccccc2F 1458a_100000188656_100000203698 [0,1,0,1,0,0|1,0,1]=4 8854 B16R2.2965 O=C(CC1CCCO1)c2ccccc2I 1458a_100000187884_100000203698 [0,1,0,1,0,0|1,0,1]=4 8855 B16R2.2965 O=C(CC1CCCO1)c2ccccc2O 1458a_100015234032_100000203698 [0,1,0,1,0,0|1,0,1]=4 8856 B16R2.2965 O=C(CC1CCCO1)c2ccccc2[O-] 1458a_100009911694_100000203698 [0,1,0,1,0,0|1,0,1]=4 8857 B16R2.2965 O=C(CC1OCCO1)c2ccccc2Br 1458a_100000188424_100000755774 [0,1,0,1,0,0|0,0,2]=4 8858 B16R2.2965 O=C(CC1OCCO1)c2ccccc2Cl 1458a_100000185844_100000755774 [0,1,0,1,0,0|0,0,2]=4 8859 B16R2.2965 O=C(CC1OCCO1)c2ccccc2F 1458a_100000188656_100000755774 [0,1,0,1,0,0|0,0,2]=4 8860 B16R2.2965 O=C(CC1OCCO1)c2ccccc2I 1458a_100000187884_100000755774 [0,1,0,1,0,0|0,0,2]=4 8861 B16R2.2965 O=C(CC1OCCO1)c2ccccc2O 1458a_100015234032_100000755774 [0,1,0,1,0,0|0,0,2]=4 8862 B16R2.2965 O=C(CC1OCCO1)c2ccccc2[O-] 1458a_100009911694_100000755774 [0,1,0,1,0,0|0,0,2]=4 8863 B16R2.14671 Cc1ccccc1C(=O)CC(=O)C2CC2 1458a_100000210395_100000741374 [0,1,0,1,0,0|1,0,0]=3 8864 B16R2.14671 Cc1ccccc1C(=O)CC(=O)C2CC2 1458a_100000212026_100000746382 [0,1,0,1,0,0|1,0,0]=3 8865 B16R2.14671 Cc1ccccc1C(=O)CC(=O)C2CO2 1458a_100000701028_100000741374 [0,1,0,1,0,0|2,0,0]=4 8866 B16R2.14671 O=C(CC(=O)C1CC1)c2ccccc2Br 1458a_100000188424_100000746382 [0,1,0,1,0,0|1,0,0]=3 8867 B16R2.14671 O=C(CC(=O)C1CC1)c2ccccc2Br 1458a_100000210395_100000199116 [0,1,0,1,0,0|1,0,0]=3 8868 B16R2.14671 O=C(CC(=O)C1CC1)c2ccccc2Cl 1458a_100000185844_100000746382 [0,1,0,1,0,0|1,0,0]=3 8869 B16R2.14671 O=C(CC(=O)C1CC1)c2ccccc2Cl 1458a_100000210395_100000211432 [0,1,0,1,0,0|1,0,0]=3 8870 B16R2.14671 O=C(CC(=O)C1CC1)c2ccccc2F 1458a_100000188656_100000746382 [0,1,0,1,0,0|1,0,0]=3 8871 B16R2.14671 O=C(CC(=O)C1CC1)c2ccccc2F 1458a_100000210395_100000204681 [0,1,0,1,0,0|1,0,0]=3 8872 B16R2.14671 O=C(CC(=O)C1CC1)c2ccccc2I 1458a_100000187884_100000746382 [0,1,0,1,0,0|1,0,0]=3 8873 B16R2.14671 O=C(CC(=O)C1CC1)c2ccccc2O 1458a_100000210395_100000188908 [0,1,0,1,0,0|1,0,0]=3 8874 B16R2.14671 O=C(CC(=O)C1CC1)c2ccccc2O 1458a_100015234032_100000746382 [0,1,0,1,0,0|1,0,0]=3 8875 B16R2.14671 O=C(CC(=O)C1CC1)c2ccccc2[O-] 1458a_100009911694_100000746382 [0,1,0,1,0,0|1,0,0]=3 8876 B16R2.14671 O=C(CC(=O)C1CO1)c2ccccc2Br 1458a_100000701028_100000199116 [0,1,0,1,0,0|2,0,0]=4 8877 B16R2.14671 O=C(CC(=O)C1CO1)c2ccccc2Cl 1458a_100000701028_100000211432 [0,1,0,1,0,0|2,0,0]=4 8878 B16R2.14671 O=C(CC(=O)C1CO1)c2ccccc2F 1458a_100000701028_100000204681 [0,1,0,1,0,0|2,0,0]=4 8879 B16R2.14671 O=C(CC(=O)C1CO1)c2ccccc2O 1458a_100000701028_100000188908 [0,1,0,1,0,0|2,0,0]=4 8880 B16R2.22598 CN(c1ccccc1Br)C2CCOC2=O 2230a_100020606079_100000211211 [0,1,0,1,0,0|2,0,0]=4 8881 B16R2.22598 CN(c1ccccc1Br)C2CCOC2=O 269982a_100020606079_100000211211 [0,1,0,1,0,0|2,0,0]=4 8882 B16R2.22598 CN(c1ccccc1Br)C2CCOC2=O 34a_100020606079_100000211211 [0,1,0,1,0,0|2,0,0]=4 8883 B16R2.22598 CN(c1ccccc1Cl)C2CCOC2=O 2230a_100000219374_100000211211 [0,1,0,1,0,0|2,0,0]=4 8884 B16R2.22598 CN(c1ccccc1Cl)C2CCOC2=O 269982a_100000219374_100000211211 [0,1,0,1,0,0|2,0,0]=4 8885 B16R2.22598 CN(c1ccccc1Cl)C2CCOC2=O 34a_100000219374_100000211211 [0,1,0,1,0,0|2,0,0]=4 8886 B16R2.22598 CN(c1ccccc1F)C2CCOC2=O 2230a_100000220357_100000211211 [0,1,0,1,0,0|2,0,0]=4 8887 B16R2.22598 CN(c1ccccc1F)C2CCOC2=O 269982a_100000220357_100000211211 [0,1,0,1,0,0|2,0,0]=4 8888 B16R2.22598 CN(c1ccccc1F)C2CCOC2=O 34a_100000220357_100000211211 [0,1,0,1,0,0|2,0,0]=4 8889 B16R2.22598 CN(c1ccccc1O)C2CCOC2=O 269982a_100000033821_100000211211 [0,1,0,1,0,0|2,0,0]=4 8890 B16R2.22598 Cc1ccccc1C(=O)C2CCCC2=O 1458a_100000212026_100000211823 [0,1,0,1,0,0|1,0,0]=3 8891 B16R2.22598 Cc1ccccc1C(=O)C2CCOC2=O 1458a_100000212026_100000211211 [0,1,0,1,0,0|0,0,0]=2 8892 B16R2.22598 Cc1ccccc1N(C)C2CCOC2=O 2230a_100000219699_100000211211 [0,1,0,1,0,0|2,0,0]=4 8893 B16R2.22598 Cc1ccccc1N(C)C2CCOC2=O 269982a_100000219699_100000211211 [0,1,0,1,0,0|2,0,0]=4 8894 B16R2.22598 Cc1ccccc1N(C)C2CCOC2=O 34a_100000219699_100000211211 [0,1,0,1,0,0|2,0,0]=4 8895 B16R2.22598 O=C1CCCC1C(=O)c2ccccc2Br 1458a_100000188424_100000211823 [0,1,0,1,0,0|1,0,0]=3 8896 B16R2.22598 O=C1CCCC1C(=O)c2ccccc2Cl 1458a_100000185844_100000211823 [0,1,0,1,0,0|1,0,0]=3 8897 B16R2.22598 O=C1CCCC1C(=O)c2ccccc2F 1458a_100000188656_100000211823 [0,1,0,1,0,0|1,0,0]=3 8898 B16R2.22598 O=C1CCCC1C(=O)c2ccccc2I 1458a_100000187884_100000211823 [0,1,0,1,0,0|1,0,0]=3 8899 B16R2.22598 O=C1CCCC1C(=O)c2ccccc2O 1458a_100015234032_100000211823 [0,1,0,1,0,0|1,0,0]=3 8900 B16R2.22598 O=C1CCCC1C(=O)c2ccccc2[O-] 1458a_100009911694_100000211823 [0,1,0,1,0,0|1,0,0]=3 8901 B16R2.22598 O=C1OCCC1C(=O)c2ccccc2Br 1458a_100000188424_100000211211 [0,1,0,1,0,0|0,0,0]=2 8902 B16R2.22598 O=C1OCCC1C(=O)c2ccccc2Cl 1458a_100000185844_100000211211 [0,1,0,1,0,0|0,0,0]=2 8903 B16R2.22598 O=C1OCCC1C(=O)c2ccccc2F 1458a_100000188656_100000211211 [0,1,0,1,0,0|0,0,0]=2 8904 B16R2.22598 O=C1OCCC1C(=O)c2ccccc2I 1458a_100000187884_100000211211 [0,1,0,1,0,0|0,0,0]=2 8905 B16R2.22598 O=C1OCCC1C(=O)c2ccccc2O 1458a_100015234032_100000211211 [0,1,0,1,0,0|0,0,0]=2 8906 B16R2.22598 O=C1OCCC1C(=O)c2ccccc2[O-] 1458a_100009911694_100000211211 [0,1,0,1,0,0|0,0,0]=2 8907 B16R2.29477 CCOC(=O)C1CC1c2ccccc2Br 271570a_100010780539_100000695589 [0,1,0,1,0,0|1,0,1]=4 8908 B16R2.29477 CCOC(=O)C1CC1c2ccccc2C 271570a_100010780539_100000210755 [0,1,0,1,0,0|1,0,1]=4 8909 B16R2.29477 CCOC(=O)C1CC1c2ccccc2Cl 271570a_100010780539_100000764095 [0,1,0,1,0,0|1,0,1]=4 8910 B16R2.29477 CCOC(=O)C1CC1c2ccccc2F 271570a_100010780539_100011215700 [0,1,0,1,0,0|1,0,1]=4 8911 B16R2.29477 CCOC(=O)C1CC1c2ccccc2N 271570a_100010780539_100000210017 [0,1,0,1,0,0|1,0,1]=4 8912 B16R2.29477 CCOC(=O)C1CC1c2ccccc2O 271570a_100010780539_100000739446 [0,1,0,1,0,0|1,0,1]=4 8913 B12R1.15 CCC(=O)CC(=O)c1ccc[nH]1 1458a_100000210414_200011262396 [1,0,0,0,1,0|1,0,0]=3 8914 B12R1.15 CCC(=O)CC(=O)c1ccco1 1458a_100000210414_100000211439 [1,0,0,0,1,0|1,0,0]=3 8915 B12R1.15 CCC(=O)CC(=O)c1cccs1 1458a_100000210414_100000211436 [1,0,0,0,1,0|1,0,0]=3 8916 B12R1.15 CCC(=O)CC(=O)c1ccsc1 1458a_100000210414_100011219462 [1,0,0,0,1,0|1,0,0]=3 8917 B12R1.15 CCC(=O)CC(=O)c1nccs1 1458a_100000210414_100000718653 [1,0,0,0,1,0|2,0,0]=4 8918 B12R1.15 CCC(=O)CC(=O)n1cccn1 1458a_100000210414_100000077511 [1,0,0,0,1,0|2,0,0]=4 8919 B12R1.15 O=C(CO)CC(=O)c1ccc[nH]1 1458a_100000210174_200011262396 [1,0,0,0,1,0|2,0,0]=4 8920 B12R1.15 O=C(CO)CC(=O)c1ccco1 1458a_100000210174_100000211439 [1,0,0,0,1,0|2,0,0]=4 8921 B12R1.15 O=C(CO)CC(=O)c1cccs1 1458a_100000210174_100000211436 [1,0,0,0,1,0|2,0,0]=4 8922 B12R1.15 O=C(CO)CC(=O)c1ccsc1 1458a_100000210174_100011219462 [1,0,0,0,1,0|2,0,0]=4 8923 B12R1.34 C=C(C(=O)CC)c1ccccc1 1458a_100000065200_100000210202 [1,0,0,0,1,0|1,0,0]=3 8924 B12R1.34 C=C(C(=O)CF)c1ccccc1 1458a_100000065200_100015361967 [1,0,0,0,1,0|2,0,0]=4 8925 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [1,0,0,0,1,0|2,0,0]=4 8926 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [1,0,0,0,1,0|1,0,1]=4 8927 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [1,0,0,0,1,0|1,0,1]=4 8928 B12R1.34 CCC(=O)N(C)c1ccccc1 11a_100000210012_100000210414 [1,0,0,0,1,0|2,0,0]=4 8929 B12R1.34 CCC(=O)N(C)c1ccccc1 1626a_100000210012_100000210414 [1,0,0,0,1,0|2,0,0]=4 8930 B12R1.34 CCC(=O)N(C)c1ccccc1 22a_100000210012_100000210414 [1,0,0,0,1,0|2,0,0]=4 8931 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [1,0,0,0,1,0|1,0,1]=4 8932 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [1,0,0,0,1,0|0,0,2]=4 8933 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [1,0,0,0,1,0|1,0,1]=4 8934 B12R1.34 CCN(C)C(=O)c1ccccc1 11a_100000225621_100000185807 [1,0,0,0,1,0|2,0,0]=4 8935 B12R1.34 CCN(C)C(=O)c1ccccc1 1626a_100000225621_100000185807 [1,0,0,0,1,0|2,0,0]=4 8936 B12R1.34 CCN(C)C(=O)c1ccccc1 240690a_100000225621_100000185807 [1,0,0,0,1,0|2,0,0]=4 8937 B12R1.34 CCN(C)C(=O)c1ccccc1 527a_100000225621_100000185807 [1,0,0,0,1,0|2,0,0]=4 8938 B12R1.32 CC#CC(=O)Cc1ccccc1 1458a_100000763181_100015291786 [1,0,0,0,1,0|1,0,1]=4 8939 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [1,0,0,0,1,0|1,0,1]=4 8940 B12R1.32 CCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210303 [1,0,0,0,1,0|2,0,0]=4 8941 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [1,0,0,0,1,0|1,0,0]=3 8942 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000211992_100000721315 [1,0,0,0,1,0|2,0,0]=4 8943 B12R1.32 CCCC(=O)Cc1ccccn1 1458a_100000233486_100000210303 [1,0,0,0,1,0|2,0,0]=4 8944 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [1,0,0,0,1,0|2,0,0]=4 8945 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [1,0,0,0,1,0|2,0,0]=4 8946 B12R1.32 CCCC(=O)Cc1ccncc1 1458a_100000211992_100000705612 [1,0,0,0,1,0|2,0,0]=4 8947 B12R1.32 CCCC(=O)Nc1ccccc1 11a_100000106764_100000211992 [1,0,0,0,1,0|2,0,0]=4 8948 B12R1.32 CCCC(=O)Nc1ccccc1 1626a_100000106764_100000211992 [1,0,0,0,1,0|2,0,0]=4 8949 B12R1.32 CCCC(=O)Nc1ccccc1 22a_100000106764_100000211992 [1,0,0,0,1,0|2,0,0]=4 8950 B12R1.32 CCCC(=O)Nc1ccccc1 527a_100000106764_100000211992 [1,0,0,0,1,0|2,0,0]=4 8951 B12R1.32 CCNC(=O)C[n+]1ccccc1 11a_100015525214_200000086051 [1,0,0,0,1,0|2,0,0]=4 8952 B12R1.32 CCNC(=O)C[n+]1ccccc1 240690a_100015525214_200000086051 [1,0,0,0,1,0|2,0,0]=4 8953 B12R1.32 CCNC(=O)C[n+]1ccccc1 527a_100015525214_200000086051 [1,0,0,0,1,0|2,0,0]=4 8954 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [1,0,0,0,1,0|2,0,0]=4 8955 B12R1.32 CCNC(=O)Cc1cccnc1 11a_100015525214_100000737805 [1,0,0,0,1,0|2,0,0]=4 8956 B12R1.32 CCNC(=O)Cc1cccnc1 240690a_100015525214_100000737805 [1,0,0,0,1,0|2,0,0]=4 8957 B12R1.32 CCNC(=O)Cc1cccnc1 527a_100015525214_100000737805 [1,0,0,0,1,0|2,0,0]=4 8958 B12R1.32 CCNC(=O)Cc1ccncc1 11a_100015525214_100011201483 [1,0,0,0,1,0|2,0,0]=4 8959 B12R1.32 CCNC(=O)Cc1ccncc1 240690a_100015525214_100011201483 [1,0,0,0,1,0|2,0,0]=4 8960 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [1,0,0,0,1,0|2,0,0]=4 8961 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [1,0,0,0,1,0|1,0,1]=4 8962 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [1,0,0,0,1,0|1,0,1]=4 8963 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [1,0,0,0,1,0|1,0,1]=4 8964 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [1,0,0,0,1,0|2,0,0]=4 8965 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [1,0,0,0,1,0|2,0,0]=4 8966 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [1,0,0,0,1,0|2,0,0]=4 8967 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [1,0,0,0,1,0|2,0,0]=4 8968 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [1,0,0,0,1,0|2,0,0]=4 8969 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [1,0,0,0,1,0|2,0,0]=4 8970 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [1,0,0,0,1,0|2,0,0]=4 8971 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [1,0,0,0,1,0|2,0,0]=4 8972 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [1,0,0,0,1,0|2,0,0]=4 8973 B12R1.51 CCOC(=O)C=Cc1ccco1 271570a_100010199719_100009814098 [1,0,0,0,1,0|1,0,1]=4 8974 B12R1.51 CCOC(=O)C=Cc1cccs1 271570a_100010199719_100011215356 [1,0,0,0,1,0|1,0,1]=4 8975 B12R1.51 CCOC(=O)C=Cc1ccoc1 271570a_100010199719_100011215275 [1,0,0,0,1,0|1,0,1]=4 8976 B12R1.51 CCOC(=O)C=Cc1ccsc1 271570a_100010199719_100000738268 [1,0,0,0,1,0|1,0,1]=4 8977 B12R1.51 CCOC(=O)COc1ccsc1 34a_100000106738_100000188475 [1,0,0,0,1,0|2,0,0]=4 8978 B12R1.51 CCOC(=O)COc1ccsc1 7a_100000106738_100000188475 [1,0,0,0,1,0|2,0,0]=4 8979 B12R1.51 CCOC(=O)CSc1ccco1 62a_100000188475_100009814098 [1,0,0,0,1,0|2,0,0]=4 8980 B12R1.51 CCOC(=O)CSc1ccco1 62a_100009814098_100000188475 [1,0,0,0,1,0|2,0,0]=4 8981 B12R1.51 CCOC(=O)CSc1cccs1 62a_100000188475_100011215356 [1,0,0,0,1,0|2,0,0]=4 8982 B12R1.51 CCOC(=O)CSc1cccs1 62a_100011215356_100000188475 [1,0,0,0,1,0|2,0,0]=4 8983 B12R1.51 CCOC(=O)CSc1ccoc1 62a_100000188475_100011215275 [1,0,0,0,1,0|2,0,0]=4 8984 B12R1.51 CCOC(=O)CSc1ccoc1 62a_100011215275_100000188475 [1,0,0,0,1,0|2,0,0]=4 8985 B12R1.51 CCOC(=O)CSc1ccsc1 62a_100000188475_100000738268 [1,0,0,0,1,0|2,0,0]=4 8986 B12R1.51 CCOC(=O)CSc1ccsc1 62a_100000738268_100000188475 [1,0,0,0,1,0|2,0,0]=4 8987 B14R1.743 C#CC(=O)CC(=O)Cc1ccccc1 1458a_100000211873_100000233483 [1,0,0,0,0,1|0,0,2]=4 8988 B14R1.743 C#CC(=O)CC(=O)Nc1ccccc1 1458a_100000211873_100000182850 [1,0,0,0,0,1|0,0,2]=4 8989 B14R1.743 C#CC(=O)CC(=O)Oc1ccccc1 1458a_100000211873_100009813826 [1,0,0,0,0,1|0,0,2]=4 8990 B14R1.743 C=CC(=O)CC(=O)Cc1ccccc1 1458a_100000185746_100000233483 [1,0,0,0,0,1|0,0,2]=4 8991 B14R1.743 C=CC(=O)CC(=O)Nc1ccccc1 1458a_100000185746_100000182850 [1,0,0,0,0,1|0,0,2]=4 8992 B14R1.743 C=CC(=O)CC(=O)Oc1ccccc1 1458a_100000185746_100009813826 [1,0,0,0,0,1|0,0,2]=4 8993 B14R1.743 CCC(=CC(=O)Cc1ccccc1)C 1458a_100020758463_100015291786 [1,0,0,0,0,1|1,0,1]=4 8994 B14R1.743 CCC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100020758463 [1,0,0,0,0,1|1,0,1]=4 8995 B14R1.743 CCC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100020758463 [1,0,0,0,0,1|1,0,1]=4 8996 B14R1.743 CCC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100020758463 [1,0,0,0,0,1|1,0,1]=4 8997 B14R1.743 CCC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000747405 [1,0,0,0,0,1|1,0,0]=3 8998 B14R1.743 CCC(=O)CC(=O)Cc1ccccc1 1458a_100000210414_100000233483 [1,0,0,0,0,1|0,0,0]=2 8999 B14R1.743 CCC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000747405 [1,0,0,0,0,1|1,0,0]=3 9000 B14R1.743 CCC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000747405 [1,0,0,0,0,1|1,0,0]=3 9001 B14R1.743 CCC(=O)CC(=O)Cc1cncnc1 1458a_100000721575_100000747405 [1,0,0,0,0,1|2,0,0]=4 9002 B14R1.743 CCC(=O)CC(=O)Nc1ccccc1 1458a_100000210414_100000182850 [1,0,0,0,0,1|0,0,0]=2 9003 B14R1.743 CCC(=O)CC(=O)Nc1ccccn1 1458a_100000210414_100020662008 [1,0,0,0,0,1|1,0,0]=3 9004 B14R1.743 CCC(=O)CC(=O)Nc1ccncc1 1458a_100000210414_100000754145 [1,0,0,0,0,1|1,0,0]=3 9005 B14R1.743 CCC(=O)CC(=O)Nc1ncccn1 1458a_100000210414_100000183248 [1,0,0,0,0,1|2,0,0]=4 9006 B14R1.743 CCC(=O)CC(=O)Oc1ccccc1 1458a_100000210414_100009813826 [1,0,0,0,0,1|0,0,0]=2 9007 B14R1.743 CCC(=O)CN(C)Cc1ccccc1 1458a_100000745601_100000210202 [1,0,0,0,0,1|2,0,0]=4 9008 B14R1.743 CCC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000747405 [1,0,0,0,0,1|2,0,0]=4 9009 B14R1.743 CCC(C)CC(=O)Cc1ccccc1 1458a_100000708755_100015291786 [1,0,0,0,0,1|1,0,1]=4 9010 B14R1.743 CCC(C)CC(=O)Nc1ccccc1 11a_100000106764_100000708755 [1,0,0,0,0,1|1,0,1]=4 9011 B14R1.743 CCC(C)CC(=O)Nc1ccccc1 1626a_100000106764_100000708755 [1,0,0,0,0,1|1,0,1]=4 9012 B14R1.743 CCC(C)CC(=O)Nc1ccccc1 22a_100000106764_100000708755 [1,0,0,0,0,1|1,0,1]=4 9013 B14R1.743 CCC(C)CC(=O)Nc1ccccc1 527a_100000106764_100000708755 [1,0,0,0,0,1|1,0,1]=4 9014 B14R1.743 CCC(O)CC(=O)Cc1ccccc1 1458a_100011667805_100015291786 [1,0,0,0,0,1|0,0,2]=4 9015 B14R1.743 CCC(O)CC(=O)Nc1ccccc1 1626a_100000106764_100011667805 [1,0,0,0,0,1|0,0,2]=4 9016 B14R1.743 CCC(O)CC(=O)Nc1ccccc1 22a_100000106764_100011667805 [1,0,0,0,0,1|0,0,2]=4 9017 B14R1.743 CCN(C)CC(=O)Cc1ccccc1 1458a_100116209913_100015291786 [1,0,0,0,0,1|2,0,0]=4 9018 B14R1.743 CCN(C)CC(=O)Cc1ccccc1 2230a_100000225621_100000233483 [1,0,0,0,0,1|2,0,0]=4 9019 B14R1.743 CCN(C)CC(=O)Cc1ccccc1 269982a_100000225621_100000233483 [1,0,0,0,0,1|2,0,0]=4 9020 B14R1.743 CCN(C)CC(=O)Nc1ccccc1 2230a_100000225621_100000182850 [1,0,0,0,0,1|2,0,0]=4 9021 B14R1.743 CCN(C)CC(=O)Nc1ccccc1 22a_100000106764_100116209913 [1,0,0,0,0,1|2,0,0]=4 9022 B14R1.743 CCN(C)CC(=O)Nc1ccccc1 269982a_100000225621_100000182850 [1,0,0,0,0,1|2,0,0]=4 9023 B14R1.743 CCN(C)CC(=O)Nc1ccccc1 527a_100000106764_100116209913 [1,0,0,0,0,1|2,0,0]=4 9024 B14R1.743 CCN(C)CC(=O)Oc1ccccc1 2230a_100000225621_100009813826 [1,0,0,0,0,1|2,0,0]=4 9025 B14R1.743 CCN(C)CC(=O)Oc1ccccc1 269982a_100000225621_100009813826 [1,0,0,0,0,1|2,0,0]=4 9026 B14R1.743 CNC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000183359 [1,0,0,0,0,1|2,0,0]=4 9027 B14R1.743 CNC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000183359 [1,0,0,0,0,1|2,0,0]=4 9028 B14R1.743 CNC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000183359 [1,0,0,0,0,1|2,0,0]=4 9029 B14R1.743 CNC(=O)CC(=O)Oc1ccccc1 240690a_100102657272_200000075362 [1,0,0,0,0,1|1,0,0]=3 9030 B14R1.743 COC(=O)CC(=O)C[n+]1ccccc1 1458a_200000086051_100000747449 [1,0,0,0,0,1|1,0,0]=3 9031 B14R1.743 COC(=O)CC(=O)Cc1ccccc1 1458a_100000211351_100015291786 [1,0,0,0,0,1|0,0,0]=2 9032 B14R1.743 COC(=O)CC(=O)Cc1ccccn1 1458a_100000211351_100000721315 [1,0,0,0,0,1|1,0,0]=3 9033 B14R1.743 COC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000747449 [1,0,0,0,0,1|1,0,0]=3 9034 B14R1.743 COC(=O)CC(=O)Cc1cccnc1 1458a_100000211351_100000733263 [1,0,0,0,0,1|1,0,0]=3 9035 B14R1.743 COC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000747449 [1,0,0,0,0,1|1,0,0]=3 9036 B14R1.743 COC(=O)CC(=O)Cc1cccnn1 1458a_100000211351_100016990269 [1,0,0,0,0,1|2,0,0]=4 9037 B14R1.743 COC(=O)CC(=O)Cc1ccncc1 1458a_100000211351_100000705612 [1,0,0,0,0,1|1,0,0]=3 9038 B14R1.743 COC(=O)CC(=O)Cc1cnccn1 1458a_100000211351_100016995436 [1,0,0,0,0,1|2,0,0]=4 9039 B14R1.743 COC(=O)CC(=O)Cc1cncnc1 1458a_100000211351_100015196519 [1,0,0,0,0,1|2,0,0]=4 9040 B14R1.743 COC(=O)CC(=O)Cc1cncnc1 1458a_100000721575_100000747449 [1,0,0,0,0,1|2,0,0]=4 9041 B14R1.743 COC(=O)CC(=O)Cc1ncccn1 1458a_100000211351_100000703007 [1,0,0,0,0,1|2,0,0]=4 9042 B14R1.743 COC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100000211351 [1,0,0,0,0,1|0,0,0]=2 9043 B14R1.743 COC(=O)CC(C)Nc1ccccc1 34a_100000106764_100009817358 [1,0,0,0,0,1|1,0,1]=4 9044 B14R1.743 COC(=O)CC(C)Oc1ccccc1 34a_100000210340_100009817358 [1,0,0,0,0,1|1,0,1]=4 9045 B14R1.743 COC(=O)CC(C)Oc1ccccc1 7a_100000210340_100009817358 [1,0,0,0,0,1|1,0,1]=4 9046 B14R1.743 COC(=O)CC(C)Sc1ccccc1 62a_100000719477_100009817358 [1,0,0,0,0,1|1,0,1]=4 9047 B14R1.743 COC(=O)CC(C)Sc1ccccc1 62a_100009817358_100000041952 [1,0,0,0,0,1|1,0,1]=4 9048 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000186898_100000747449 [1,0,0,0,0,1|2,0,0]=4 9049 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000198492_100015291786 [1,0,0,0,0,1|2,0,0]=4 9050 B14R1.743 COC(=O)CN(C)Cc1ccccc1 2230a_100000219879_200000210301 [1,0,0,0,0,1|2,0,0]=4 9051 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000186898_100000747449 [1,0,0,0,0,1|2,0,0]=4 9052 B14R1.743 COC(=O)CN(C)Cc1ccccc1 269982a_100000219879_200000210301 [1,0,0,0,0,1|2,0,0]=4 9053 B14R1.743 COC(=O)CN(C)Cc1ccccc1 270004a_100000198492_100015611070 [1,0,0,0,0,1|2,0,0]=4 9054 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 2230a_100000219879_200025704644 [1,0,0,0,0,1|2,0,0]=4 9055 B14R1.743 COC(=O)CN([13CH3])Cc1ccccc1 269982a_100000219879_200025704644 [1,0,0,0,0,1|2,0,0]=4 9056 B14R1.743 O=C(CO)CC(=O)Cc1ccccc1 1458a_100000210174_100000233483 [1,0,0,0,0,1|1,0,0]=3 9057 B14R1.743 O=C(CO)CC(=O)Nc1ccccc1 1458a_100000210174_100000182850 [1,0,0,0,0,1|1,0,0]=3 9058 B14R1.743 O=C(CO)CC(=O)Nc1ccccn1 1458a_100000210174_100020662008 [1,0,0,0,0,1|2,0,0]=4 9059 B14R1.743 O=C(CO)CC(=O)Nc1ccncc1 1458a_100000210174_100000754145 [1,0,0,0,0,1|2,0,0]=4 9060 B14R1.743 O=C(CO)CC(=O)Oc1ccccc1 1458a_100000210174_100009813826 [1,0,0,0,0,1|1,0,0]=3 9061 B14R1.158 CC/C=C/CC(=O)Cc1ccccc1 1458a_100016274230_100015291786 [1,0,0,0,0,1|1,0,0]=3 9062 B14R1.158 CC/C=C/CC(=O)Cc1ccccn1 1458a_100016274230_100000721315 [1,0,0,0,0,1|2,0,0]=4 9063 B14R1.158 CC/C=C/CC(=O)Cc1cccnc1 1458a_100016274230_100000733263 [1,0,0,0,0,1|2,0,0]=4 9064 B14R1.158 CC/C=C/CC(=O)Cc1ccncc1 1458a_100016274230_100000705612 [1,0,0,0,0,1|2,0,0]=4 9065 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 11a_100000106764_100016274230 [1,0,0,0,0,1|1,0,0]=3 9066 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 1626a_100000106764_100016274230 [1,0,0,0,0,1|1,0,0]=3 9067 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 22a_100000106764_100016274230 [1,0,0,0,0,1|1,0,0]=3 9068 B14R1.158 CC/C=C/CC(=O)Nc1ccccc1 527a_100000106764_100016274230 [1,0,0,0,0,1|1,0,0]=3 9069 B14R1.158 CC/C=C\CC(=O)C[n+]1ccccc1 1458a_200000086051_100103147603 [1,0,0,0,0,1|2,0,0]=4 9070 B14R1.158 CC/C=C\CC(=O)Cc1ccccn1 1458a_100000233486_100103147603 [1,0,0,0,0,1|2,0,0]=4 9071 B14R1.158 CC/C=C\CC(=O)Cc1cccnc1 1458a_100000737805_100103147603 [1,0,0,0,0,1|2,0,0]=4 9072 B14R1.158 CCCC=CC(=O)Cc1ccccc1 1458a_100000212230_100015291786 [1,0,0,0,0,1|1,0,1]=4 9073 B14R1.158 CCCC=CC(=O)Nc1ccccc1 11a_100000106764_100000212230 [1,0,0,0,0,1|1,0,1]=4 9074 B14R1.158 CCCC=CC(=O)Nc1ccccc1 1626a_100000106764_100000212230 [1,0,0,0,0,1|1,0,1]=4 9075 B14R1.158 CCCC=CC(=O)Nc1ccccc1 22a_100000106764_100000212230 [1,0,0,0,0,1|1,0,1]=4 9076 B14R1.158 CCCCCC(=O)Cc1ccccc1 1458a_100000212188_100015291786 [1,0,0,0,0,1|1,0,1]=4 9077 B14R1.158 CCCCCC(=O)Nc1ccccc1 11a_100000106764_100000212188 [1,0,0,0,0,1|1,0,1]=4 9078 B14R1.158 CCCCCC(=O)Nc1ccccc1 1626a_100000106764_100000212188 [1,0,0,0,0,1|1,0,1]=4 9079 B14R1.158 CCCCCC(=O)Nc1ccccc1 22a_100000106764_100000212188 [1,0,0,0,0,1|1,0,1]=4 9080 B14R1.158 CCCCCC(=O)Nc1ccccc1 527a_100000106764_100000212188 [1,0,0,0,0,1|1,0,1]=4 9081 B14R1.158 CCCOCC(=O)Cc1ccccc1 1458a_100000745993_100015291786 [1,0,0,0,0,1|2,0,0]=4 9082 B14R1.158 CCCOCC(=O)Nc1ccccc1 11a_100000106764_100000745993 [1,0,0,0,0,1|2,0,0]=4 9083 B14R1.158 CCCOCC(=O)Nc1ccccc1 1626a_100000106764_100000745993 [1,0,0,0,0,1|2,0,0]=4 9084 B14R1.158 CCCOCC(=O)Nc1ccccc1 22a_100000106764_100000745993 [1,0,0,0,0,1|2,0,0]=4 9085 B14R1.158 CCCOCC(=O)Nc1ccccc1 34a_100000210258_100000182850 [1,0,0,0,0,1|2,0,0]=4 9086 B14R1.158 CCCOCC(=O)Nc1ccccc1 34a_100000246334_100000210303 [1,0,0,0,0,1|2,0,0]=4 9087 B14R1.158 CCCOCC(=O)Nc1ccccc1 527a_100000106764_100000745993 [1,0,0,0,0,1|2,0,0]=4 9088 B14R1.158 CCCOCC(=O)Oc1ccccc1 34a_100000210258_100009813826 [1,0,0,0,0,1|2,0,0]=4 9089 B14R1.158 CCCSCC(=O)Cc1ccccc1 1458a_100000217233_100015291786 [1,0,0,0,0,1|2,0,0]=4 9090 B14R1.158 CCCSCC(=O)Cc1ccccc1 62a_100000210303_100000233483 [1,0,0,0,0,1|2,0,0]=4 9091 B14R1.158 CCCSCC(=O)Cc1ccccc1 62a_100000233483_100000210303 [1,0,0,0,0,1|2,0,0]=4 9092 B14R1.158 CCCSCC(=O)Nc1ccccc1 11a_100000106764_100000217233 [1,0,0,0,0,1|2,0,0]=4 9093 B14R1.158 CCCSCC(=O)Nc1ccccc1 1626a_100000106764_100000217233 [1,0,0,0,0,1|2,0,0]=4 9094 B14R1.158 CCCSCC(=O)Nc1ccccc1 22a_100000106764_100000217233 [1,0,0,0,0,1|2,0,0]=4 9095 B14R1.158 CCCSCC(=O)Nc1ccccc1 527a_100000106764_100000217233 [1,0,0,0,0,1|2,0,0]=4 9096 B14R1.158 CCCSCC(=O)Nc1ccccc1 62a_100000210303_100000182850 [1,0,0,0,0,1|2,0,0]=4 9097 B14R1.158 CCCSCC(=O)Nc1ccccc1 62a_100012148978_100000210303 [1,0,0,0,0,1|2,0,0]=4 9098 B14R1.158 CCCSCC(=O)Oc1ccccc1 62a_100000210303_100009813826 [1,0,0,0,0,1|2,0,0]=4 9099 B14R1.158 CCCSCC(=O)Oc1ccccc1 62a_100009813826_100000210303 [1,0,0,0,0,1|2,0,0]=4 9100 B14R1.158 CCNCCC(=O)Nc1ccccc1 2230a_100015525214_100000242058 [1,0,0,0,0,1|1,0,1]=4 9101 B14R1.158 CCNCCC(=O)Oc1ccccc1 2230a_100015525214_200000035796 [1,0,0,0,0,1|1,0,1]=4 9102 B14R1.158 CCOC=CC(=O)Cc1ccccc1 1458a_100016266692_100015291786 [1,0,0,0,0,1|0,0,1]=3 9103 B14R1.158 CCOC=CC(=O)Cc1ccccn1 1458a_100016266692_100000721315 [1,0,0,0,0,1|1,0,1]=4 9104 B14R1.158 CCOC=CC(=O)Cc1cccnc1 1458a_100016266692_100000733263 [1,0,0,0,0,1|1,0,1]=4 9105 B14R1.158 CCOC=CC(=O)Cc1ccncc1 1458a_100016266692_100000705612 [1,0,0,0,0,1|1,0,1]=4 9106 B14R1.158 CCOC=CC(=O)Nc1ccccc1 11a_100000106764_100016266692 [1,0,0,0,0,1|0,0,1]=3 9107 B14R1.158 CCOC=CC(=O)Nc1ccccc1 1626a_100000106764_100016266692 [1,0,0,0,0,1|0,0,1]=3 9108 B14R1.158 CCOC=CC(=O)Nc1ccccc1 22a_100000106764_100016266692 [1,0,0,0,0,1|0,0,1]=3 9109 B14R1.158 CCOCCC(=O)C[n+]1ccccc1 1458a_200000086051_100011215890 [1,0,0,0,0,1|1,0,1]=4 9110 B14R1.158 CCOCCC(=O)Cc1ccccc1 1458a_100000749530_100015291786 [1,0,0,0,0,1|0,0,1]=3 9111 B14R1.158 CCOCCC(=O)Cc1ccccn1 1458a_100000233486_100011215890 [1,0,0,0,0,1|1,0,1]=4 9112 B14R1.158 CCOCCC(=O)Cc1ccccn1 1458a_100000749530_100000721315 [1,0,0,0,0,1|1,0,1]=4 9113 B14R1.158 CCOCCC(=O)Cc1cccnc1 1458a_100000737805_100011215890 [1,0,0,0,0,1|1,0,1]=4 9114 B14R1.158 CCOCCC(=O)Cc1cccnc1 1458a_100000749530_100000733263 [1,0,0,0,0,1|1,0,1]=4 9115 B14R1.158 CCOCCC(=O)Cc1ccncc1 1458a_100000749530_100000705612 [1,0,0,0,0,1|1,0,1]=4 9116 B14R1.158 CCOCCC(=O)Nc1ccccc1 11a_100000106764_100000749530 [1,0,0,0,0,1|0,0,1]=3 9117 B14R1.158 CCOCCC(=O)Nc1ccccc1 1626a_100000106764_100000749530 [1,0,0,0,0,1|0,0,1]=3 9118 B14R1.158 CCOCCC(=O)Nc1ccccc1 22a_100000106764_100000749530 [1,0,0,0,0,1|0,0,1]=3 9119 B14R1.158 CCOCCC(=O)Nc1ccccc1 34a_100121572206_100000242058 [1,0,0,0,0,1|0,0,1]=3 9120 B14R1.158 CCOCCC(=O)Nc1ccccc1 527a_100000106764_100000749530 [1,0,0,0,0,1|0,0,1]=3 9121 B14R1.158 CCSCCC(=O)Cc1ccccc1 1458a_100000230768_100015291786 [1,0,0,0,0,1|0,1,1]=4 9122 B14R1.158 CCSCCC(=O)Nc1ccccc1 11a_100000106764_100000230768 [1,0,0,0,0,1|0,1,1]=4 9123 B14R1.158 CCSCCC(=O)Nc1ccccc1 1626a_100000106764_100000230768 [1,0,0,0,0,1|0,1,1]=4 9124 B14R1.158 CCSCCC(=O)Nc1ccccc1 22a_100000106764_100000230768 [1,0,0,0,0,1|0,1,1]=4 9125 B14R1.158 CCSCCC(=O)Nc1ccccc1 527a_100000106764_100000230768 [1,0,0,0,0,1|0,1,1]=4 9126 B14R1.158 CCSCCC(=O)Nc1ccccc1 62a_100000210202_100000242058 [1,0,0,0,0,1|0,1,1]=4 9127 B14R1.158 CCSCCC(=O)Oc1ccccc1 62a_100000210202_200000035796 [1,0,0,0,0,1|0,1,1]=4 9128 B14R1.520 CC#CC(=O)C/C=C/c1ccccc1 1458a_100000763181_100016265936 [1,0,0,0,0,1|1,0,1]=4 9129 B14R1.520 CC=CC(=O)C/C=C/c1ccccc1 1458a_100000210699_100016265936 [1,0,0,0,0,1|1,0,1]=4 9130 B14R1.520 CCCC(=O)C/C=C/c1ccccc1 1458a_100000211992_100016265936 [1,0,0,0,0,1|1,0,0]=3 9131 B14R1.520 CCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210303 [1,0,0,0,0,1|1,0,0]=3 9132 B14R1.520 CCCC(=O)C=CSc1ccccc1 1458a_100016262050_100000210303 [1,0,0,0,0,1|1,0,1]=4 9133 B14R1.520 CCCC(=O)CC#Cc1ccccc1 1458a_100000211992_100011352542 [1,0,0,0,0,1|1,0,1]=4 9134 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100000211992_100000211621 [1,0,0,0,0,1|1,0,1]=4 9135 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100011207963_100000210303 [1,0,0,0,0,1|1,0,1]=4 9136 B14R1.520 CCCC(=O)CCOc1ccccc1 1458a_100000182761_100000210303 [1,0,0,0,0,1|1,0,1]=4 9137 B14R1.520 CCCC(=O)CCOc1ccccc1 1458a_100000211992_100000184471 [1,0,0,0,0,1|1,0,1]=4 9138 B14R1.520 CCCC(=O)CCSc1ccccc1 1458a_100000182436_100000210303 [1,0,0,0,0,1|1,0,1]=4 9139 B14R1.520 CCCC(=O)CCSc1ccccc1 1458a_100000211992_100000246102 [1,0,0,0,0,1|1,0,1]=4 9140 B14R1.520 CCCC(=O)CNCc1ccccc1 2230a_100015324214_100000747444 [1,0,0,0,0,1|1,0,1]=4 9141 B14R1.520 CCCC(=O)COCc1ccccc1 1458a_100000230186_100000210303 [1,0,0,0,0,1|1,0,1]=4 9142 B14R1.520 CCCC(=O)COCc1ccccc1 7a_100000210790_100000747444 [1,0,0,0,0,1|1,0,1]=4 9143 B14R1.520 CCCC(=O)CSCc1ccccc1 1458a_100000150264_100000210303 [1,0,0,0,0,1|1,0,1]=4 9144 B14R1.520 CCCC(=O)CSCc1ccccc1 1458a_100000211992_200011217039 [1,0,0,0,0,1|1,0,1]=4 9145 B14R1.520 CCCC(=O)CSCc1ccccc1 62a_100000211182_100000747444 [1,0,0,0,0,1|1,0,1]=4 9146 B14R1.520 CCCC(=O)CSCc1ccccc1 62a_100000747444_100015291786 [1,0,0,0,0,1|1,0,1]=4 9147 B14R1.520 CCCC(=O)NCCc1ccccc1 11a_100000106460_100000211992 [1,0,0,0,0,1|1,0,1]=4 9148 B14R1.520 CCCC(=O)NCCc1ccccc1 1626a_100000106460_100000211992 [1,0,0,0,0,1|1,0,1]=4 9149 B14R1.520 CCCC(=O)NCCc1ccccc1 240690a_100000106460_100000211992 [1,0,0,0,0,1|1,0,1]=4 9150 B14R1.520 CCCC(=O)NCCc1ccccc1 527a_100000106460_100000211992 [1,0,0,0,0,1|1,0,1]=4 9151 B14R1.520 CCCC(=O)NN=Cc1ccccc1 4a_100000189770_100015611070 [1,0,0,0,0,1|2,0,0]=4 9152 B14R1.520 CCCC(=O)OCNc1ccccc1 34a_100000106764_100000034017 [1,0,0,0,0,1|2,0,0]=4 9153 B14R1.520 CCCC(=O)OCOc1ccccc1 34a_100000210340_100000034017 [1,0,0,0,0,1|2,0,0]=4 9154 B14R1.520 CCCC(=O)OCSc1ccccc1 62a_100000719477_100000034017 [1,0,0,0,0,1|2,0,0]=4 9155 B14R1.520 CCNC(=O)C/C=C/c1ccccc1 11a_100015525214_100011219626 [1,0,0,0,0,1|1,0,0]=3 9156 B14R1.520 CCNC(=O)C/C=C/c1ccccc1 240690a_100015525214_100011219626 [1,0,0,0,0,1|1,0,0]=3 9157 B14R1.520 CCNC(=O)C=CSc1ccccc1 11a_100015525214_100016262050 [1,0,0,0,0,1|1,0,1]=4 9158 B14R1.520 CCNC(=O)C=CSc1ccccc1 240690a_100015525214_100016262050 [1,0,0,0,0,1|1,0,1]=4 9159 B14R1.520 CCNC(=O)CCCc1ccccc1 11a_100015525214_100011207963 [1,0,0,0,0,1|1,0,1]=4 9160 B14R1.520 CCNC(=O)CCCc1ccccc1 240690a_100015525214_100011207963 [1,0,0,0,0,1|1,0,1]=4 9161 B14R1.520 CCNC(=O)CCCc1ccccc1 527a_100015525214_100011207963 [1,0,0,0,0,1|1,0,1]=4 9162 B14R1.520 CCNC(=O)CCOc1ccccc1 11a_100015525214_100000182761 [1,0,0,0,0,1|1,0,1]=4 9163 B14R1.520 CCNC(=O)CCOc1ccccc1 240690a_100015525214_100000182761 [1,0,0,0,0,1|1,0,1]=4 9164 B14R1.520 CCNC(=O)CCOc1ccccc1 7a_100000210340_100000737597 [1,0,0,0,0,1|1,0,1]=4 9165 B14R1.520 CCNC(=O)CCSc1ccccc1 11a_100015525214_100000182436 [1,0,0,0,0,1|1,0,1]=4 9166 B14R1.520 CCNC(=O)CCSc1ccccc1 240690a_100015525214_100000182436 [1,0,0,0,0,1|1,0,1]=4 9167 B14R1.520 CCNC(=O)CCSc1ccccc1 62a_100000719477_100000737597 [1,0,0,0,0,1|1,0,1]=4 9168 B14R1.520 CCNC(=O)CCSc1ccccc1 62a_100000737597_100000041952 [1,0,0,0,0,1|1,0,1]=4 9169 B14R1.520 CCNC(=O)CNCc1ccccc1 2230a_100015324214_100000183381 [1,0,0,0,0,1|1,0,1]=4 9170 B14R1.520 CCNC(=O)CNCc1ccccc1 2230a_100016988866_100015291786 [1,0,0,0,0,1|1,0,1]=4 9171 B14R1.520 CCNC(=O)CNCc1ccccc1 270004a_100016988866_100015611070 [1,0,0,0,0,1|1,0,1]=4 9172 B14R1.520 CCNC(=O)CNCc1ccccc1 34a_100015324214_100000183381 [1,0,0,0,0,1|1,0,1]=4 9173 B14R1.520 CCNC(=O)COCc1ccccc1 11a_100015525214_100000230186 [1,0,0,0,0,1|1,0,1]=4 9174 B14R1.520 CCNC(=O)COCc1ccccc1 240690a_100015525214_100000230186 [1,0,0,0,0,1|1,0,1]=4 9175 B14R1.520 CCNC(=O)COCc1ccccc1 34a_100000210790_100000183381 [1,0,0,0,0,1|1,0,1]=4 9176 B14R1.520 CCNC(=O)COCc1ccccc1 527a_100015525214_100000230186 [1,0,0,0,0,1|1,0,1]=4 9177 B14R1.520 CCNC(=O)COCc1ccccc1 7a_100000210790_100000183381 [1,0,0,0,0,1|1,0,1]=4 9178 B14R1.520 CCNC(=O)CSCc1ccccc1 11a_100015525214_100000150264 [1,0,0,0,0,1|1,0,1]=4 9179 B14R1.520 CCNC(=O)CSCc1ccccc1 240690a_100015525214_100000150264 [1,0,0,0,0,1|1,0,1]=4 9180 B14R1.520 CCNC(=O)CSCc1ccccc1 527a_100015525214_100000150264 [1,0,0,0,0,1|1,0,1]=4 9181 B14R1.520 CCNC(=O)CSCc1ccccc1 62a_100000183381_100015291786 [1,0,0,0,0,1|1,0,1]=4 9182 B14R1.520 CCNC(=O)CSCc1ccccc1 62a_100000211182_100000183381 [1,0,0,0,0,1|1,0,1]=4 9183 B14R1.520 CCNC(=O)NCCc1ccccc1 2708a_100000106460_100015525214 [1,0,0,0,0,1|1,0,1]=4 9184 B14R1.520 CCNC(=O)NCCc1ccccc1 2708a_100015525214_100000106460 [1,0,0,0,0,1|1,0,1]=4 9185 B14R1.520 CCNC(=O)NCCc1ccccc1 273464a_100000106460_100015525214 [1,0,0,0,0,1|1,0,1]=4 9186 B14R1.520 CCNC(=O)NCCc1ccccc1 273464a_100015525214_100000106460 [1,0,0,0,0,1|1,0,1]=4 9187 B14R1.520 CCNC(=O)NCCc1ccccc1 512a_100000106460_100015525214 [1,0,0,0,0,1|1,0,1]=4 9188 B14R1.520 CCNC(=O)NCCc1ccccc1 512a_100015525214_100000106460 [1,0,0,0,0,1|1,0,1]=4 9189 B14R1.520 CCOC(=O)C=NNc1ccccc1 4a_100015195140_100000742314 [1,0,0,0,0,1|1,0,1]=4 9190 B14R1.520 CCOC(=O)CCNc1ccccc1 34a_100000106764_100000765890 [1,0,0,0,0,1|0,0,1]=3 9191 B14R1.520 CCOC(=O)CCOc1ccccc1 34a_100000210340_100000765890 [1,0,0,0,0,1|0,0,1]=3 9192 B14R1.520 CCOC(=O)CCOc1ccccc1 7a_100000210340_100011206558 [1,0,0,0,0,1|0,0,1]=3 9193 B14R1.520 CCOC(=O)CCOc1cccnc1 34a_100000210849_100000765890 [1,0,0,0,0,1|1,0,1]=4 9194 B14R1.520 CCOC(=O)CCOc1cccnc1 7a_100000210849_100011206558 [1,0,0,0,0,1|1,0,1]=4 9195 B14R1.520 CCOC(=O)CCOc1ccncc1 34a_100000212176_100000765890 [1,0,0,0,0,1|1,0,1]=4 9196 B14R1.520 CCOC(=O)CCSc1ccccc1 62a_100000719477_100000765890 [1,0,0,0,0,1|0,0,1]=3 9197 B14R1.520 CCOC(=O)CCSc1ccccc1 62a_100000765890_100000041952 [1,0,0,0,0,1|0,0,1]=3 9198 B14R1.520 CCOC(=O)CCSc1ccccn1 62a_100000765890_100011216584 [1,0,0,0,0,1|1,0,1]=4 9199 B14R1.520 CCOC(=O)CCSc1ccccn1 62a_100011216584_100000765890 [1,0,0,0,0,1|1,0,1]=4 9200 B14R1.520 CCOC(=O)CCSc1cccnc1 62a_100000210063_100000765890 [1,0,0,0,0,1|1,0,1]=4 9201 B14R1.520 CCOC(=O)CCSc1cccnc1 62a_100000765890_100000210063 [1,0,0,0,0,1|1,0,1]=4 9202 B14R1.520 CCOC(=O)CCSc1ccncc1 62a_100000728582_100000765890 [1,0,0,0,0,1|1,0,1]=4 9203 B14R1.520 CCOC(=O)CCSc1ccncc1 62a_100000765890_100000728582 [1,0,0,0,0,1|1,0,1]=4 9204 B14R1.520 CCOC(=O)CNCc1ccccc1 2230a_100015324214_100000188475 [1,0,0,0,0,1|0,0,1]=3 9205 B14R1.520 CCOC(=O)CNCc1ccccc1 34a_100015324214_100000188475 [1,0,0,0,0,1|0,0,1]=3 9206 B14R1.520 CCOC(=O)COCc1ccccc1 34a_100000210790_100000188475 [1,0,0,0,0,1|0,0,1]=3 9207 B14R1.520 CCOC(=O)COCc1ccccc1 7a_100000210790_100000188475 [1,0,0,0,0,1|0,0,1]=3 9208 B14R1.520 CCOC(=O)CSCc1ccccc1 62a_100000188475_100015291786 [1,0,0,0,0,1|0,0,1]=3 9209 B14R1.520 CCOC(=O)CSCc1ccccc1 62a_100000211182_100000188475 [1,0,0,0,0,1|0,0,1]=3 9210 B14R1.520 CCOC(=O)CSCc1ccccn1 62a_100000188475_100000721315 [1,0,0,0,0,1|1,0,1]=4 9211 B14R1.520 CCOC(=O)CSCc1ccccn1 62a_100000721315_100000188475 [1,0,0,0,0,1|1,0,1]=4 9212 B14R1.520 CCOC(=O)CSCc1cccnc1 62a_100000188475_100000741622 [1,0,0,0,0,1|1,0,1]=4 9213 B14R1.520 CCOC(=O)CSCc1cccnc1 62a_100000741622_100000188475 [1,0,0,0,0,1|1,0,1]=4 9214 B14R1.520 CCOC(=O)CSCc1ccncc1 62a_100000188475_100015193705 [1,0,0,0,0,1|1,0,1]=4 9215 B14R1.520 CCOC(=O)CSCc1ccncc1 62a_100015193705_100000188475 [1,0,0,0,0,1|1,0,1]=4 9216 B14R1.520 CCOC(=O)OCSc1ccccc1 62a_100000719477_100000075025 [1,0,0,0,0,1|1,0,0]=3 9217 B14R1.520 CCOC(=O)OCSc1ccccn1 62a_100011216584_100000075025 [1,0,0,0,0,1|2,0,0]=4 9218 B14R1.520 CCOC(=O)OCSc1cccnc1 62a_100000210063_100000075025 [1,0,0,0,0,1|2,0,0]=4 9219 B14R1.520 CCOC(=O)OCSc1ccncc1 62a_100000728582_100000075025 [1,0,0,0,0,1|2,0,0]=4 9220 B14R1.520 CNNC(=O)C/C=C/c1ccccc1 22a_100016993582_100011219626 [1,0,0,0,0,1|2,0,0]=4 9221 B14R1.520 COCC(=O)C/C=C/c1ccccc1 1458a_100000210968_100016265936 [1,0,0,0,0,1|2,0,0]=4 9222 B14R1.520 CSCC(=O)C/C=C/c1ccccc1 1458a_100000184570_100016265936 [1,0,0,0,0,1|2,0,0]=4 9223 B14R1.520 O=C(C/C=C/c1ccccc1)CCF 1458a_100011219626_100011217306 [1,0,0,0,0,1|2,0,0]=4 9224 B14R1.520 O=C(C/C=C/c1ccccc1)CCO 1458a_100011216618_100016265936 [1,0,0,0,0,1|2,0,0]=4 9225 B14R1.520 O=C(C/C=C/c1ccccc1)CCO 1458a_100011219626_100000211926 [1,0,0,0,0,1|2,0,0]=4 9226 B14R1.100 CCCC(=O)CCC(=O)c1cccs1 1458a_100000211992_100011290775 [0,0,0,0,1,1|2,0,0]=4 9227 B14R1.100 CCCC(=O)CNC(=O)c1ccco1 1458a_200000183647_100000210303 [0,0,0,0,1,1|2,0,0]=4 9228 B14R1.100 CCCC(=O)CNC(=O)c1cccs1 1458a_100000183069_100000210303 [0,0,0,0,1,1|2,0,0]=4 9229 B14R1.100 CCNC(=O)CNC(=O)c1ccco1 11a_100015525214_200000183647 [0,0,0,0,1,1|2,0,0]=4 9230 B14R1.100 CCNC(=O)CNC(=O)c1ccco1 240690a_100015525214_200000183647 [0,0,0,0,1,1|2,0,0]=4 9231 B14R1.100 CCNC(=O)CNC(=O)c1ccco1 527a_100015525214_200000183647 [0,0,0,0,1,1|2,0,0]=4 9232 B14R1.100 CCNC(=O)CNC(=O)c1cccs1 11a_100015525214_100000183069 [0,0,0,0,1,1|2,0,0]=4 9233 B14R1.100 CCNC(=O)CNC(=O)c1cccs1 240690a_100015525214_100000183069 [0,0,0,0,1,1|2,0,0]=4 9234 B14R1.100 CCNC(=O)CNC(=O)c1cccs1 527a_100015525214_100000183069 [0,0,0,0,1,1|2,0,0]=4 9235 B16R1.929 C=C(CCCC(=O)CCC)c1ccccc1 1458a_200009911520_100000210303 [0,0,0,0,0,2|2,0,0]=4 9236 B16R1.929 C=C(CCCC(=O)NCC)c1ccccc1 11a_100015525214_200009911520 [0,0,0,0,0,2|2,0,0]=4 9237 B16R1.929 C=C(CCCC(=O)NCC)c1ccccc1 240690a_100015525214_200009911520 [0,0,0,0,0,2|2,0,0]=4 9238 B16R1.929 C=C(CCCC(=O)NCC)c1ccccc1 527a_100015525214_200009911520 [0,0,0,0,0,2|2,0,0]=4 9239 B16R1.929 C=COC(=O)CSCC(=O)c1ccccc1 62a_100000036128_100000211460 [0,0,0,0,0,2|0,0,2]=4 9240 B16R1.929 C=COC(=O)CSCC(=O)c1ccccc1 62a_100000211460_100000036128 [0,0,0,0,0,2|0,0,2]=4 9241 B16R1.929 CC#CC(=O)CCCC(=O)c1ccccc1 1458a_100000763181_100000211006 [0,0,0,0,0,2|1,0,1]=4 9242 B16R1.929 CC#CC(=O)CCNC(=O)c1ccccc1 1458a_100000763181_200011215302 [0,0,0,0,0,2|1,0,1]=4 9243 B16R1.929 CC#CC(=O)CCOC(=O)c1ccccc1 1458a_100000763181_100000184176 [0,0,0,0,0,2|1,0,1]=4 9244 B16R1.929 CC=CC(=O)CCCC(=O)c1ccccc1 1458a_100000210699_100000211006 [0,0,0,0,0,2|1,0,1]=4 9245 B16R1.929 CC=CC(=O)CCNC(=O)c1ccccc1 1458a_100000210699_200011215302 [0,0,0,0,0,2|1,0,1]=4 9246 B16R1.929 CC=CC(=O)CCOC(=O)c1ccccc1 1458a_100000210699_100000184176 [0,0,0,0,0,2|1,0,1]=4 9247 B16R1.929 CCCC(=O)CCCC(=O)c1ccccc1 1458a_100000211992_100000211006 [0,0,0,0,0,2|1,0,0]=3 9248 B16R1.929 CCCC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_100000210303 [0,0,0,0,0,2|1,0,0]=3 9249 B16R1.929 CCCC(=O)CCNC(=O)c1ccccc1 1458a_100000211992_200011215302 [0,0,0,0,0,2|1,0,0]=3 9250 B16R1.929 CCCC(=O)CCOC(=O)c1ccccc1 1458a_100000211992_100000184176 [0,0,0,0,0,2|1,0,0]=3 9251 B16R1.929 CCCC(=O)CSCC(=O)c1ccccc1 62a_100000211460_100000747444 [0,0,0,0,0,2|1,0,0]=3 9252 B16R1.929 CCCC(=O)CSCC(=O)c1ccccc1 62a_100000747444_100000211460 [0,0,0,0,0,2|1,0,0]=3 9253 B16R1.929 CCCC(=O)CSCC(=O)c1ccccn1 62a_100000027445_100000747444 [0,0,0,0,0,2|2,0,0]=4 9254 B16R1.929 CCCC(=O)CSCC(=O)c1ccccn1 62a_100000747444_100000027445 [0,0,0,0,0,2|2,0,0]=4 9255 B16R1.929 CCCC(=O)CSCC(=O)c1cccnc1 62a_100000747444_100000757877 [0,0,0,0,0,2|2,0,0]=4 9256 B16R1.929 CCCC(=O)CSCC(=O)c1cccnc1 62a_100000757877_100000747444 [0,0,0,0,0,2|2,0,0]=4 9257 B16R1.929 CCCC(=O)CSCC(=O)c1ccncc1 62a_100000027454_100000747444 [0,0,0,0,0,2|2,0,0]=4 9258 B16R1.929 CCCC(=O)CSCC(=O)c1ccncc1 62a_100000747444_100000027454 [0,0,0,0,0,2|2,0,0]=4 9259 B16R1.929 CCCC(=O)CSCS(=O)c1ccccc1 62a_100000747444_100000031784 [0,0,0,0,0,2|2,0,0]=4 9260 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 11a_100015525214_100000182757 [0,0,0,0,0,2|1,0,0]=3 9261 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 11a_100025743525_100000185807 [0,0,0,0,0,2|1,0,0]=3 9262 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 1626a_100025743525_100000185807 [0,0,0,0,0,2|1,0,0]=3 9263 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 240690a_100015525214_100000182757 [0,0,0,0,0,2|1,0,0]=3 9264 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 240690a_100025743525_100000185807 [0,0,0,0,0,2|1,0,0]=3 9265 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 527a_100015525214_100000182757 [0,0,0,0,0,2|1,0,0]=3 9266 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 527a_100025743525_100000185807 [0,0,0,0,0,2|1,0,0]=3 9267 B16R1.929 CCNC(=O)CSCC(=O)c1ccccc1 62a_100000183381_100000211460 [0,0,0,0,0,2|1,0,0]=3 9268 B16R1.929 CCNC(=O)CSCC(=O)c1ccccc1 62a_100000211460_100000183381 [0,0,0,0,0,2|1,0,0]=3 9269 B16R1.929 CCNC(=O)CSCC(=O)c1ccccn1 62a_100000027445_100000183381 [0,0,0,0,0,2|2,0,0]=4 9270 B16R1.929 CCNC(=O)CSCC(=O)c1ccccn1 62a_100000183381_100000027445 [0,0,0,0,0,2|2,0,0]=4 9271 B16R1.929 CCNC(=O)CSCC(=O)c1cccnc1 62a_100000183381_100000757877 [0,0,0,0,0,2|2,0,0]=4 9272 B16R1.929 CCNC(=O)CSCC(=O)c1cccnc1 62a_100000757877_100000183381 [0,0,0,0,0,2|2,0,0]=4 9273 B16R1.929 CCNC(=O)CSCC(=O)c1ccncc1 62a_100000027454_100000183381 [0,0,0,0,0,2|2,0,0]=4 9274 B16R1.929 CCNC(=O)CSCC(=O)c1ccncc1 62a_100000183381_100000027454 [0,0,0,0,0,2|2,0,0]=4 9275 B16R1.929 CCNC(=O)CSCS(=O)c1ccccc1 62a_100000183381_100000031784 [0,0,0,0,0,2|2,0,0]=4 9276 B16R1.929 CCOC(=O)/C=C/CN(C)c1ccccc1 2230a_100000210012_100016267167 [0,0,0,0,0,2|2,0,0]=4 9277 B16R1.929 CCOC(=O)/C=C/CN(C)c1ccccc1 269982a_100000210012_100016267167 [0,0,0,0,0,2|2,0,0]=4 9278 B16R1.929 CCOC(=O)/C=C/CN(C)c1ccccc1 34a_100000210012_100016267167 [0,0,0,0,0,2|2,0,0]=4 9279 B16R1.929 CCOC(=O)C=NNC(=O)c1ccccc1 4a_100000184135_100000742314 [0,0,0,0,0,2|0,0,1]=3 9280 B16R1.929 CCOC(=O)C=NNC(=O)c1ccccn1 4a_100000184044_100000742314 [0,0,0,0,0,2|1,0,1]=4 9281 B16R1.929 CCOC(=O)C=NNC(=O)c1cccnc1 4a_100000189771_100000742314 [0,0,0,0,0,2|1,0,1]=4 9282 B16R1.929 CCOC(=O)C=NNC(=O)c1ccncc1 4a_100000189768_100000742314 [0,0,0,0,0,2|1,0,1]=4 9283 B16R1.929 CCOC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100011215271 [0,0,0,0,0,2|0,0,0]=2 9284 B16R1.929 CCOC(=O)CCCN(C)c1ccccc1 2230a_100000210012_100009991533 [0,0,0,0,0,2|2,0,0]=4 9285 B16R1.929 CCOC(=O)CCCN(C)c1ccccc1 269982a_100000210012_100009991533 [0,0,0,0,0,2|2,0,0]=4 9286 B16R1.929 CCOC(=O)CCCN(C)c1ccccc1 34a_100000210012_100009991533 [0,0,0,0,0,2|2,0,0]=4 9287 B16R1.929 CCOC(=O)CCNC(=O)c1ccccc1 188690a_100000746078_100000185807 [0,0,0,0,0,2|0,0,0]=2 9288 B16R1.929 CCOC(=O)CCN[C@H](C)c1ccccc1 2230a_100000751104_100011206558 [0,0,0,0,0,2|1,0,1]=4 9289 B16R1.929 CCOC(=O)CCO[C@H](C)c1ccccc1 34a_100000761318_100000765890 [0,0,0,0,0,2|1,0,1]=4 9290 B16R1.929 CCOC(=O)CCO[C@H](C)c1ccccc1 7a_100000761318_100011206558 [0,0,0,0,0,2|1,0,1]=4 9291 B16R1.929 CCOC(=O)CCSC(C)c1ccccc1 62a_100000230085_100000765890 [0,0,0,0,0,2|1,0,1]=4 9292 B16R1.929 CCOC(=O)CCSC(C)c1ccccc1 62a_100000765890_100000230085 [0,0,0,0,0,2|1,0,1]=4 9293 B16R1.929 CCOC(=O)CNCC(C)c1ccccc1 2230a_100000701038_100000188475 [0,0,0,0,0,2|1,0,1]=4 9294 B16R1.929 CCOC(=O)CNCC(C)c1ccccc1 34a_100000701038_100000188475 [0,0,0,0,0,2|1,0,1]=4 9295 B16R1.929 CCOC(=O)CNCC(O)c1ccccc1 2230a_100000210709_100000188475 [0,0,0,0,0,2|0,0,2]=4 9296 B16R1.929 CCOC(=O)COCC(C)c1ccccc1 34a_100011215166_100000188475 [0,0,0,0,0,2|1,0,1]=4 9297 B16R1.929 CCOC(=O)COCC(C)c1ccccc1 7a_100011215166_100000188475 [0,0,0,0,0,2|1,0,1]=4 9298 B16R1.929 CCOC(=O)COC[C@@H](N)c1ccccc1 34a_100000751927_100000188475 [0,0,0,0,0,2|1,0,1]=4 9299 B16R1.929 CCOC(=O)CSCC(=O)c1ccccc1 62a_100000188475_100000211460 [0,0,0,0,0,2|0,0,0]=2 9300 B16R1.929 CCOC(=O)CSCC(=O)c1ccccc1 62a_100000211460_100000188475 [0,0,0,0,0,2|0,0,0]=2 9301 B16R1.929 CCOC(=O)CSCC(=O)c1ccccn1 62a_100000027445_100000188475 [0,0,0,0,0,2|1,0,0]=3 9302 B16R1.929 CCOC(=O)CSCC(=O)c1ccccn1 62a_100000188475_100000027445 [0,0,0,0,0,2|1,0,0]=3 9303 B16R1.929 CCOC(=O)CSCC(=O)c1cccnc1 62a_100000188475_100000757877 [0,0,0,0,0,2|1,0,0]=3 9304 B16R1.929 CCOC(=O)CSCC(=O)c1cccnc1 62a_100000757877_100000188475 [0,0,0,0,0,2|1,0,0]=3 9305 B16R1.929 CCOC(=O)CSCC(=O)c1ccncc1 62a_100000027454_100000188475 [0,0,0,0,0,2|1,0,0]=3 9306 B16R1.929 CCOC(=O)CSCC(=O)c1ccncc1 62a_100000188475_100000027454 [0,0,0,0,0,2|1,0,0]=3 9307 B16R1.929 CCOC(=O)CSCC(=O)c1ncccn1 62a_100000188475_100020636365 [0,0,0,0,0,2|2,0,0]=4 9308 B16R1.929 CCOC(=O)CSCC(=O)c1ncccn1 62a_100020636365_100000188475 [0,0,0,0,0,2|2,0,0]=4 9309 B16R1.929 CCOC(=O)CSCC(C)c1ccccc1 62a_100000188475_100000756946 [0,0,0,0,0,2|1,0,1]=4 9310 B16R1.929 CCOC(=O)CSCC(C)c1ccccc1 62a_100000756946_100000188475 [0,0,0,0,0,2|1,0,1]=4 9311 B16R1.929 CCOC(=O)CSCC(O)c1ccccc1 62a_100000185958_100000188475 [0,0,0,0,0,2|0,0,2]=4 9312 B16R1.929 CCOC(=O)CSCC(O)c1ccccc1 62a_100000188475_100000185958 [0,0,0,0,0,2|0,0,2]=4 9313 B16R1.929 CCOC(=O)CSCS(=O)c1ccccc1 62a_100000188475_100000031784 [0,0,0,0,0,2|1,0,0]=3 9314 B16R1.929 CCOC(=O)CSC[C@@H](O)c1ccccc1 62a_100000188475_100011933945 [0,0,0,0,0,2|0,0,2]=4 9315 B16R1.929 CCOC(=O)CSC[C@@H](O)c1ccccc1 62a_100011933945_100000188475 [0,0,0,0,0,2|0,0,2]=4 9316 B16R1.929 CCOC(=O)NCCC(=O)c1ccccc1 1458a_100000185807_200011445536 [0,0,0,0,0,2|0,0,0]=2 9317 B16R1.929 CCOC(=O)NCCN(C)c1ccccc1 269982a_100000210012_200011445536 [0,0,0,0,0,2|2,0,0]=4 9318 B16R1.929 CCOC(=O)OCSC(C)c1ccccc1 62a_100000230085_100000075025 [0,0,0,0,0,2|1,0,1]=4 9319 B16R1.929 CNNC(=O)CCNC(=O)c1ccccc1 22a_100016993582_100000182757 [0,0,0,0,0,2|2,0,0]=4 9320 B16R1.929 COCC(=O)CCCC(=O)c1ccccc1 1458a_100000210968_100000211006 [0,0,0,0,0,2|2,0,0]=4 9321 B16R1.929 COCC(=O)CCNC(=O)c1ccccc1 1458a_100000210968_200011215302 [0,0,0,0,0,2|2,0,0]=4 9322 B16R1.929 COCC(=O)CCOC(=O)c1ccccc1 1458a_100000210968_100000184176 [0,0,0,0,0,2|2,0,0]=4 9323 B16R1.929 CSCC(=O)CCCC(=O)c1ccccc1 1458a_100000184570_100000211006 [0,0,0,0,0,2|2,0,0]=4 9324 B16R1.929 CSCC(=O)CCNC(=O)c1ccccc1 1458a_100000184570_200011215302 [0,0,0,0,0,2|2,0,0]=4 9325 B16R1.929 CSCC(=O)CCOC(=O)c1ccccc1 1458a_100000184570_100000184176 [0,0,0,0,0,2|2,0,0]=4 9326 B16R1.929 O=C(CCF)CCNC(=O)c1ccccc1 1458a_100000182757_100011217306 [0,0,0,0,0,2|2,0,0]=4 9327 B16R1.929 O=C(CCO)CCCC(=O)c1ccccc1 1458a_100011216618_100000211006 [0,0,0,0,0,2|2,0,0]=4 9328 B16R1.929 O=C(CCO)CCNC(=O)c1ccccc1 1458a_100000182757_100000211926 [0,0,0,0,0,2|2,0,0]=4 9329 B16R1.929 O=C(CCO)CCNC(=O)c1ccccc1 1458a_100011216618_200011215302 [0,0,0,0,0,2|2,0,0]=4 9330 B16R1.929 O=C(CCO)CCOC(=O)c1ccccc1 1458a_100011216618_100000184176 [0,0,0,0,0,2|2,0,0]=4 9331 B16R1.929 O=C(CSCC(=O)c1ccccc1)NCO 62a_100000185155_100000211460 [0,0,0,0,0,2|2,0,0]=4 9332 B16R1.929 O=C(CSCC(=O)c1ccccc1)NCO 62a_100000211460_100000185155 [0,0,0,0,0,2|2,0,0]=4 9333 B16R1.934 CC#CC(=O)CCC(=O)Nc1ccccc1 1458a_100000763181_100000242058 [0,0,0,0,0,2|1,0,1]=4 9334 B16R1.934 CC#CC(=O)CCC(=O)Oc1ccccc1 1458a_100000763181_200000035796 [0,0,0,0,0,2|1,0,1]=4 9335 B16R1.934 CC=CC(=O)CCC(=O)Nc1ccccc1 1458a_100000210699_100000242058 [0,0,0,0,0,2|1,0,1]=4 9336 B16R1.934 CC=CC(=O)CCC(=O)Oc1ccccc1 1458a_100000210699_200000035796 [0,0,0,0,0,2|1,0,1]=4 9337 B16R1.934 CC=CC(=O)NCC(=O)Nc1ccccc1 11a_100000742222_100000210699 [0,0,0,0,0,2|1,0,1]=4 9338 B16R1.934 CC=CC(=O)NCC(=O)Nc1ccccc1 1626a_100000742222_100000210699 [0,0,0,0,0,2|1,0,1]=4 9339 B16R1.934 CC=CC(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_100000210699 [0,0,0,0,0,2|1,0,1]=4 9340 B16R1.934 CCCC(=O)C=CC(=O)Nc1ccccc1 1458a_200016255450_100000210303 [0,0,0,0,0,2|1,0,1]=4 9341 B16R1.934 CCCC(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_100000210303 [0,0,0,0,0,2|1,0,0]=3 9342 B16R1.934 CCCC(=O)CCC(=O)Nc1ccccc1 1458a_100000211992_100000242058 [0,0,0,0,0,2|1,0,0]=3 9343 B16R1.934 CCCC(=O)CCC(=O)Oc1ccccc1 1458a_100000211992_200000035796 [0,0,0,0,0,2|1,0,0]=3 9344 B16R1.934 CCCC(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_100000210303 [0,0,0,0,0,2|1,0,0]=3 9345 B16R1.934 CCCC(=O)CNC(=O)Nc1ccccc1 1458a_100000181911_100000210303 [0,0,0,0,0,2|1,0,0]=3 9346 B16R1.934 CCCC(=O)NCC(=O)Nc1ccccc1 11a_100000742222_100000211992 [0,0,0,0,0,2|1,0,0]=3 9347 B16R1.934 CCCC(=O)NCC(=O)Nc1ccccc1 1626a_100000742222_100000211992 [0,0,0,0,0,2|1,0,0]=3 9348 B16R1.934 CCCC(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_100000211992 [0,0,0,0,0,2|1,0,0]=3 9349 B16R1.934 CCCC(=O)NCC(=O)Nc1ccccc1 527a_100000742222_100000211992 [0,0,0,0,0,2|1,0,0]=3 9350 B16R1.934 CCCC(=O)NNC(=O)Cc1ccccc1 22a_100000182964_100000211992 [0,0,0,0,0,2|2,0,0]=4 9351 B16R1.934 CCCC(=O)OCC(=O)C[n+]1ccccc1 1458a_200000086051_100000034017 [0,0,0,0,0,2|2,0,0]=4 9352 B16R1.934 CCCC(=O)OCC(=O)Cc1ccccn1 1458a_100000233486_100000034017 [0,0,0,0,0,2|2,0,0]=4 9353 B16R1.934 CCCC(=O)OCC(=O)Cc1cccnc1 1458a_100000737805_100000034017 [0,0,0,0,0,2|2,0,0]=4 9354 B16R1.934 CCNC(=O)CCC(=O)Cc1ccccc1 1458a_100000199579_100015291786 [0,0,0,0,0,2|1,0,0]=3 9355 B16R1.934 CCNC(=O)CCC(=O)Cc1ccccn1 1458a_100000199579_100000721315 [0,0,0,0,0,2|2,0,0]=4 9356 B16R1.934 CCNC(=O)CCC(=O)Cc1cccnc1 1458a_100000199579_100000733263 [0,0,0,0,0,2|2,0,0]=4 9357 B16R1.934 CCNC(=O)CCC(=O)Cc1ccncc1 1458a_100000199579_100000705612 [0,0,0,0,0,2|2,0,0]=4 9358 B16R1.934 CCNC(=O)CCC(=O)Nc1ccccc1 11a_100000106764_100000199579 [0,0,0,0,0,2|1,0,0]=3 9359 B16R1.934 CCNC(=O)CCC(=O)Nc1ccccc1 11a_100015525214_100000180958 [0,0,0,0,0,2|1,0,0]=3 9360 B16R1.934 CCNC(=O)CCC(=O)Nc1ccccc1 1626a_100000106764_100000199579 [0,0,0,0,0,2|1,0,0]=3 9361 B16R1.934 CCNC(=O)CCC(=O)Nc1ccccc1 22a_100000106764_100000199579 [0,0,0,0,0,2|1,0,0]=3 9362 B16R1.934 CCNC(=O)CCC(=O)Nc1ccccc1 240690a_100015525214_100000180958 [0,0,0,0,0,2|1,0,0]=3 9363 B16R1.934 CCNC(=O)CNC(=O)C[n+]1ccccc1 11a_100016988866_200000086051 [0,0,0,0,0,2|2,0,0]=4 9364 B16R1.934 CCNC(=O)CNC(=O)C[n+]1ccccc1 240690a_100016988866_200000086051 [0,0,0,0,0,2|2,0,0]=4 9365 B16R1.934 CCNC(=O)CNC(=O)C[n+]1ccccc1 527a_100016988866_200000086051 [0,0,0,0,0,2|2,0,0]=4 9366 B16R1.934 CCNC(=O)CNC(=O)Cc1ccccc1 11a_100015525214_100000184600 [0,0,0,0,0,2|1,0,0]=3 9367 B16R1.934 CCNC(=O)CNC(=O)Cc1ccccc1 240690a_100015525214_100000184600 [0,0,0,0,0,2|1,0,0]=3 9368 B16R1.934 CCNC(=O)CNC(=O)Cc1ccccc1 527a_100015525214_100000184600 [0,0,0,0,0,2|1,0,0]=3 9369 B16R1.934 CCNC(=O)CNC(=O)Cc1ccccn1 11a_100016988866_100000233486 [0,0,0,0,0,2|2,0,0]=4 9370 B16R1.934 CCNC(=O)CNC(=O)Cc1cccnc1 11a_100016988866_100000737805 [0,0,0,0,0,2|2,0,0]=4 9371 B16R1.934 CCNC(=O)CNC(=O)Cc1cccnc1 240690a_100016988866_100000737805 [0,0,0,0,0,2|2,0,0]=4 9372 B16R1.934 CCNC(=O)CNC(=O)Cc1cccnc1 527a_100016988866_100000737805 [0,0,0,0,0,2|2,0,0]=4 9373 B16R1.934 CCNC(=O)CNC(=O)Cc1ccncc1 11a_100016988866_100011201483 [0,0,0,0,0,2|2,0,0]=4 9374 B16R1.934 CCNC(=O)CNC(=O)Cc1ccncc1 240690a_100016988866_100011201483 [0,0,0,0,0,2|2,0,0]=4 9375 B16R1.934 CCNC(=O)CNC(=O)Nc1ccccc1 240690a_100015525214_100000181911 [0,0,0,0,0,2|1,0,0]=3 9376 B16R1.934 CCNC(=O)CNC(=O)Nc1ccccc1 2430a_100000106764_100016988866 [0,0,0,0,0,2|1,0,0]=3 9377 B16R1.934 CCNC(=O)NCC(=O)Nc1ccccc1 2708a_100015525214_100000742222 [0,0,0,0,0,2|1,0,0]=3 9378 B16R1.934 CCNC(=O)NCC(=O)Nc1ccccc1 273464a_100015525214_100000742222 [0,0,0,0,0,2|1,0,0]=3 9379 B16R1.934 CCNC(=O)NCC(=O)Nc1ccccc1 512a_100015525214_100000742222 [0,0,0,0,0,2|1,0,0]=3 9380 B16R1.934 CCNC(=O)NNC(=O)Cc1ccccc1 273464a_100015525214_100000182964 [0,0,0,0,0,2|2,0,0]=4 9381 B16R1.934 CCOC(=O)C=CC(=O)Cc1ccccc1 1458a_100000210415_100015291786 [0,0,0,0,0,2|0,0,1]=3 9382 B16R1.934 CCOC(=O)C=CC(=O)Cc1ccccn1 1458a_100000210415_100000721315 [0,0,0,0,0,2|1,0,1]=4 9383 B16R1.934 CCOC(=O)C=CC(=O)Cc1cccnc1 1458a_100000210415_100000733263 [0,0,0,0,0,2|1,0,1]=4 9384 B16R1.934 CCOC(=O)C=CC(=O)Cc1ccncc1 1458a_100000210415_100000705612 [0,0,0,0,0,2|1,0,1]=4 9385 B16R1.934 CCOC(=O)C=CC(=O)Nc1ccccc1 1626a_100000106764_100000210415 [0,0,0,0,0,2|0,0,1]=3 9386 B16R1.934 CCOC(=O)CCC(=O)Cc1ccccc1 1458a_100000183558_100015291786 [0,0,0,0,0,2|0,0,0]=2 9387 B16R1.934 CCOC(=O)CCC(=O)Cc1ccccn1 1458a_100000183558_100000721315 [0,0,0,0,0,2|1,0,0]=3 9388 B16R1.934 CCOC(=O)CCC(=O)Cc1cccnc1 1458a_100000183558_100000733263 [0,0,0,0,0,2|1,0,0]=3 9389 B16R1.934 CCOC(=O)CCC(=O)Cc1cccnn1 1458a_100000183558_100016990269 [0,0,0,0,0,2|2,0,0]=4 9390 B16R1.934 CCOC(=O)CCC(=O)Cc1ccncc1 1458a_100000183558_100000705612 [0,0,0,0,0,2|1,0,0]=3 9391 B16R1.934 CCOC(=O)CCC(=O)Cc1cnccn1 1458a_100000183558_100016995436 [0,0,0,0,0,2|2,0,0]=4 9392 B16R1.934 CCOC(=O)CCC(=O)Cc1cncnc1 1458a_100000183558_100015196519 [0,0,0,0,0,2|2,0,0]=4 9393 B16R1.934 CCOC(=O)CCC(=O)Cc1ncccn1 1458a_100000183558_100000703007 [0,0,0,0,0,2|2,0,0]=4 9394 B16R1.934 CCOC(=O)CCC(=O)Nc1ccccc1 11a_100000106764_100000183558 [0,0,0,0,0,2|0,0,0]=2 9395 B16R1.934 CCOC(=O)CCC(=O)Nc1ccccc1 1626a_100000106764_100000183558 [0,0,0,0,0,2|0,0,0]=2 9396 B16R1.934 CCOC(=O)CCC(C)Nc1ccccc1 34a_100000106764_100000748298 [0,0,0,0,0,2|1,0,1]=4 9397 B16R1.934 CCOC(=O)CCC(C)Oc1ccccc1 34a_100000210340_100000748298 [0,0,0,0,0,2|1,0,1]=4 9398 B16R1.934 CCOC(=O)CCC(C)Oc1ccccc1 7a_100000210340_100000748298 [0,0,0,0,0,2|1,0,1]=4 9399 B16R1.934 CCOC(=O)CCC(C)Sc1ccccc1 62a_100000719477_100000748298 [0,0,0,0,0,2|1,0,1]=4 9400 B16R1.934 CCOC(=O)CCC(C)Sc1ccccc1 62a_100000748298_100000041952 [0,0,0,0,0,2|1,0,1]=4 9401 B16R1.934 CCOC(=O)CCN(C)Cc1ccccc1 2230a_100000177506_200000210301 [0,0,0,0,0,2|2,0,0]=4 9402 B16R1.934 CCOC(=O)CCN(C)Cc1ccccc1 2230a_100000186898_100011206558 [0,0,0,0,0,2|2,0,0]=4 9403 B16R1.934 CCOC(=O)CCN(C)Cc1ccccc1 2230a_100000745921_100015291786 [0,0,0,0,0,2|2,0,0]=4 9404 B16R1.934 CCOC(=O)CCN(C)Cc1ccccc1 269982a_100000177506_200000210301 [0,0,0,0,0,2|2,0,0]=4 9405 B16R1.934 CCOC(=O)CCN(C)Cc1ccccc1 269982a_100000186898_100011206558 [0,0,0,0,0,2|2,0,0]=4 9406 B16R1.934 CCOC(=O)CCN(C)Cc1ccccc1 269982a_100000745921_100000211182 [0,0,0,0,0,2|2,0,0]=4 9407 B16R1.934 CCOC(=O)CCN([13CH3])Cc1ccccc1 2230a_100000177506_200025704644 [0,0,0,0,0,2|2,0,0]=4 9408 B16R1.934 CCOC(=O)CCN([13CH3])Cc1ccccc1 269982a_100000177506_200025704644 [0,0,0,0,0,2|2,0,0]=4 9409 B16R1.934 CCOC(=O)CNC(=O)C[n+]1ccccc1 188690a_100000741813_200000086051 [0,0,0,0,0,2|1,0,0]=3 9410 B16R1.934 CCOC(=O)CNC(=O)Cc1ccccn1 188690a_100000741813_100000233486 [0,0,0,0,0,2|1,0,0]=3 9411 B16R1.934 CCOC(=O)CNC(=O)Cc1cccnc1 188690a_100000741813_100000737805 [0,0,0,0,0,2|1,0,0]=3 9412 B16R1.934 CCOC(=O)CNC(=O)Cc1cnccn1 188690a_100000741813_100000726051 [0,0,0,0,0,2|2,0,0]=4 9413 B16R1.934 CCOC(=O)CNC(=O)Cc1cncnc1 188690a_100000741813_100000721575 [0,0,0,0,0,2|2,0,0]=4 9414 B16R1.934 CCOC(=O)CNC(=O)Cc1ncccn1 188690a_100000741813_114929131568 [0,0,0,0,0,2|2,0,0]=4 9415 B16R1.934 CCOC(=O)COC(C)Cc1ccccc1 34a_100000748627_100000188475 [0,0,0,0,0,2|1,0,1]=4 9416 B16R1.934 CCOC(=O)COC(C)Cc1ccccc1 7a_100000748627_100000188475 [0,0,0,0,0,2|1,0,1]=4 9417 B16R1.934 CCOC(=O)CSC(C)Cc1ccccc1 62a_100000188475_200011218536 [0,0,0,0,0,2|1,0,1]=4 9418 B16R1.934 CCOC(=O)CSC(C)Cc1ccccc1 62a_200011218536_100000188475 [0,0,0,0,0,2|1,0,1]=4 9419 B16R1.934 CCOC(=O)NCC(=O)Cc1ccccc1 1458a_100000190774_100015291786 [0,0,0,0,0,2|0,0,0]=2 9420 B16R1.934 CCOC(=O)NCC(=O)Cc1ccccn1 1458a_100000190774_100000721315 [0,0,0,0,0,2|1,0,0]=3 9421 B16R1.934 CCOC(=O)NCC(=O)Cc1cccnc1 1458a_100000190774_100000733263 [0,0,0,0,0,2|1,0,0]=3 9422 B16R1.934 CCOC(=O)NCC(=O)Cc1cccnn1 1458a_100000190774_100016990269 [0,0,0,0,0,2|2,0,0]=4 9423 B16R1.934 CCOC(=O)NCC(=O)Cc1ccncc1 1458a_100000190774_100000705612 [0,0,0,0,0,2|1,0,0]=3 9424 B16R1.934 CCOC(=O)NCC(=O)Cc1cnccn1 1458a_100000190774_100016995436 [0,0,0,0,0,2|2,0,0]=4 9425 B16R1.934 CCOC(=O)NCC(=O)Cc1cncnc1 1458a_100000190774_100015196519 [0,0,0,0,0,2|2,0,0]=4 9426 B16R1.934 CCOC(=O)NCC(=O)Cc1ncccn1 1458a_100000190774_100000703007 [0,0,0,0,0,2|2,0,0]=4 9427 B16R1.934 CCOC(=O)NCC(=O)Nc1ccccc1 11a_100000106764_100000190774 [0,0,0,0,0,2|0,0,0]=2 9428 B16R1.934 CCOC(=O)NCC(=O)Nc1ccccc1 1626a_100000106764_100000190774 [0,0,0,0,0,2|0,0,0]=2 9429 B16R1.934 CCOC(=O)NCC(=O)Nc1ccccc1 22a_100000106764_100000190774 [0,0,0,0,0,2|0,0,0]=2 9430 B16R1.934 CCOC(=O)NCC(=O)Nc1ccccc1 527a_100000106764_100000190774 [0,0,0,0,0,2|0,0,0]=2 9431 B16R1.934 CNNC(=O)CNC(=O)Cc1ccccc1 22a_100016993582_100000184600 [0,0,0,0,0,2|2,0,0]=4 9432 B16R1.934 CNNC(=O)CNC(=O)Nc1ccccc1 22a_100016993582_100000181911 [0,0,0,0,0,2|2,0,0]=4 9433 B16R1.934 CNNC(=O)NCC(=O)Nc1ccccc1 512a_100016993582_100000742222 [0,0,0,0,0,2|2,0,0]=4 9434 B16R1.934 COCC(=O)CCC(=O)Nc1ccccc1 1458a_100000210968_100000242058 [0,0,0,0,0,2|2,0,0]=4 9435 B16R1.934 COCC(=O)CCC(=O)Oc1ccccc1 1458a_100000210968_200000035796 [0,0,0,0,0,2|2,0,0]=4 9436 B16R1.934 COCC(=O)NCC(=O)Nc1ccccc1 11a_100000742222_100000210968 [0,0,0,0,0,2|2,0,0]=4 9437 B16R1.934 COCC(=O)NCC(=O)Nc1ccccc1 1626a_100000742222_100000210968 [0,0,0,0,0,2|2,0,0]=4 9438 B16R1.934 COCC(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_100000210968 [0,0,0,0,0,2|2,0,0]=4 9439 B16R1.934 COCC(=O)NCC(=O)Nc1ccccc1 527a_100000742222_100000210968 [0,0,0,0,0,2|2,0,0]=4 9440 B16R1.934 CSCC(=O)CCC(=O)Nc1ccccc1 1458a_100000184570_100000242058 [0,0,0,0,0,2|2,0,0]=4 9441 B16R1.934 CSCC(=O)CCC(=O)Oc1ccccc1 1458a_100000184570_200000035796 [0,0,0,0,0,2|2,0,0]=4 9442 B16R1.934 CSCC(=O)NCC(=O)Nc1ccccc1 11a_100000742222_100000184570 [0,0,0,0,0,2|2,0,0]=4 9443 B16R1.934 CSCC(=O)NCC(=O)Nc1ccccc1 1626a_100000742222_100000184570 [0,0,0,0,0,2|2,0,0]=4 9444 B16R1.934 CSCC(=O)NCC(=O)Nc1ccccc1 240690a_100000742222_100000184570 [0,0,0,0,0,2|2,0,0]=4 9445 B16R1.934 CSCC(=O)NCC(=O)Nc1ccccc1 527a_100000742222_100000184570 [0,0,0,0,0,2|2,0,0]=4 9446 B16R1.934 O=C(CCF)CCC(=O)Nc1ccccc1 1458a_100000180958_100011217306 [0,0,0,0,0,2|2,0,0]=4 9447 B16R1.934 O=C(CCF)CNC(=O)Cc1ccccc1 1458a_100000184600_100011217306 [0,0,0,0,0,2|2,0,0]=4 9448 B16R1.934 O=C(CCF)CNC(=O)Nc1ccccc1 1458a_100000181911_100011217306 [0,0,0,0,0,2|2,0,0]=4 9449 B16R1.934 O=C(CCO)CCC(=O)Nc1ccccc1 1458a_100000180958_100000211926 [0,0,0,0,0,2|2,0,0]=4 9450 B16R1.934 O=C(CCO)CCC(=O)Nc1ccccc1 1458a_100011216618_100000242058 [0,0,0,0,0,2|2,0,0]=4 9451 B16R1.934 O=C(CCO)CCC(=O)Oc1ccccc1 1458a_100011216618_200000035796 [0,0,0,0,0,2|2,0,0]=4 9452 B16R1.934 O=C(CCO)CNC(=O)Cc1ccccc1 1458a_100000184600_100000211926 [0,0,0,0,0,2|2,0,0]=4 9453 B16R1.934 O=C(CCO)CNC(=O)Nc1ccccc1 1458a_100000181911_100000211926 [0,0,0,0,0,2|2,0,0]=4 9454 B16R1.934 O=C(CCO)NCC(=O)Nc1ccccc1 240690a_100000742222_100011216618 [0,0,0,0,0,2|2,0,0]=4 9455 B16R1.1570 C=C(CCC)CC(=O)CCc1ccccc1 1458a_100000138376_100000765856 [0,0,0,0,0,2|2,0,0]=4 9456 B16R1.1570 C=C(CCC)CC(=O)NCc1ccccc1 11a_100015324214_100000138376 [0,0,0,0,0,2|2,0,0]=4 9457 B16R1.1570 C=C(CCC)CC(=O)NCc1ccccc1 240690a_100015324214_100000138376 [0,0,0,0,0,2|2,0,0]=4 9458 B16R1.1570 C=C(CCC)CC(=O)NCc1ccccc1 527a_100015324214_100000138376 [0,0,0,0,0,2|2,0,0]=4 9459 B16R1.1570 C=C(CCC)CC(=O)NNc1ccccc1 22a_100015195140_100000138376 [0,0,0,0,0,2|2,0,0]=4 9460 B16R1.1570 C=COC(=O)CC(=O)C#Cc1ccccc1 1458a_100000736102_100000036128 [0,0,0,0,0,2|0,0,2]=4 9461 B16R1.1570 C=COC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000036128 [0,0,0,0,0,2|0,0,2]=4 9462 B16R1.1570 C=COC(=O)CC(=O)CCc1ccccc1 1458a_100000185753_100000036128 [0,0,0,0,0,2|0,0,2]=4 9463 B16R1.1570 C=COC(=O)CC(=O)COc1ccccc1 1458a_100000186222_100000036128 [0,0,0,0,0,2|0,0,2]=4 9464 B16R1.1570 C=COC(=O)CC(=O)CSc1ccccc1 1458a_100000211596_100000036128 [0,0,0,0,0,2|0,0,2]=4 9465 B16R1.1570 CC#CC(=O)CC(=O)CCc1ccccc1 1458a_100000763181_100012361361 [0,0,0,0,0,2|1,0,1]=4 9466 B16R1.1570 CC#CC(=O)CC(=O)NCc1ccccc1 1458a_100000763181_100000183539 [0,0,0,0,0,2|1,0,1]=4 9467 B16R1.1570 CC#CC(=O)CC(=O)OCc1ccccc1 1458a_100000763181_100000753625 [0,0,0,0,0,2|1,0,1]=4 9468 B16R1.1570 CC=CC(=O)CC(=O)CCc1ccccc1 1458a_100000210699_100012361361 [0,0,0,0,0,2|1,0,1]=4 9469 B16R1.1570 CC=CC(=O)CC(=O)NCc1ccccc1 1458a_100000210699_100000183539 [0,0,0,0,0,2|1,0,1]=4 9470 B16R1.1570 CC=CC(=O)CC(=O)OCc1ccccc1 1458a_100000210699_100000753625 [0,0,0,0,0,2|1,0,1]=4 9471 B16R1.1570 CCCC(=O)CC(=O)C#Cc1ccccc1 1458a_100000736102_100000747444 [0,0,0,0,0,2|1,0,0]=3 9472 B16R1.1570 CCCC(=O)CC(=O)C#Cc1ccccn1 1458a_102125277312_100000747444 [0,0,0,0,0,2|2,0,0]=4 9473 B16R1.1570 CCCC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000747444 [0,0,0,0,0,2|1,0,0]=3 9474 B16R1.1570 CCCC(=O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000747444 [0,0,0,0,0,2|2,0,0]=4 9475 B16R1.1570 CCCC(=O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000747444 [0,0,0,0,0,2|2,0,0]=4 9476 B16R1.1570 CCCC(=O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000747444 [0,0,0,0,0,2|2,0,0]=4 9477 B16R1.1570 CCCC(=O)CC(=O)CCc1ccccc1 1458a_100000185753_100000747444 [0,0,0,0,0,2|1,0,0]=3 9478 B16R1.1570 CCCC(=O)CC(=O)CCc1ccccc1 1458a_100000211992_100012361361 [0,0,0,0,0,2|1,0,0]=3 9479 B16R1.1570 CCCC(=O)CC(=O)CCc1ccccn1 1458a_100015195070_100000747444 [0,0,0,0,0,2|2,0,0]=4 9480 B16R1.1570 CCCC(=O)CC(=O)CCc1cccnc1 1458a_100000198484_100000747444 [0,0,0,0,0,2|2,0,0]=4 9481 B16R1.1570 CCCC(=O)CC(=O)CCc1ccncc1 1458a_100011225043_100000747444 [0,0,0,0,0,2|2,0,0]=4 9482 B16R1.1570 CCCC(=O)CC(=O)COc1ccccc1 1458a_100000186222_100000747444 [0,0,0,0,0,2|1,0,0]=3 9483 B16R1.1570 CCCC(=O)CC(=O)COc1ccccn1 1458a_100102699861_100000747444 [0,0,0,0,0,2|2,0,0]=4 9484 B16R1.1570 CCCC(=O)CC(=O)COc1cccnc1 1458a_100015207166_100000747444 [0,0,0,0,0,2|2,0,0]=4 9485 B16R1.1570 CCCC(=O)CC(=O)CSc1ccccc1 1458a_100000211596_100000747444 [0,0,0,0,0,2|1,0,0]=3 9486 B16R1.1570 CCCC(=O)CC(=O)CSc1ccccn1 1458a_100000156281_100000747444 [0,0,0,0,0,2|2,0,0]=4 9487 B16R1.1570 CCCC(=O)CC(=O)CSc1ccncc1 1458a_100000211328_100000747444 [0,0,0,0,0,2|2,0,0]=4 9488 B16R1.1570 CCCC(=O)CC(=O)NCc1ccccc1 1458a_100000211992_100000183539 [0,0,0,0,0,2|1,0,0]=3 9489 B16R1.1570 CCCC(=O)CC(=O)NCc1ccccn1 1458a_100000211992_100000684169 [0,0,0,0,0,2|2,0,0]=4 9490 B16R1.1570 CCCC(=O)CC(=O)NCc1ccncc1 1458a_100000211992_100011243468 [0,0,0,0,0,2|2,0,0]=4 9491 B16R1.1570 CCCC(=O)CC(=O)OCc1ccccc1 1458a_100000037839_100000210303 [0,0,0,0,0,2|1,0,0]=3 9492 B16R1.1570 CCCC(=O)CC(=O)OCc1ccccc1 1458a_100000211992_100000753625 [0,0,0,0,0,2|1,0,0]=3 9493 B16R1.1570 CCCS(=O)CC(=O)CCc1ccccc1 1458a_100011387404_100000765856 [0,0,0,0,0,2|2,0,0]=4 9494 B16R1.1570 CCCS(=O)CC(=O)NCc1ccccc1 11a_100015324214_100011387404 [0,0,0,0,0,2|2,0,0]=4 9495 B16R1.1570 CCCS(=O)CC(=O)NCc1ccccc1 1626a_100015324214_100011387404 [0,0,0,0,0,2|2,0,0]=4 9496 B16R1.1570 CCCS(=O)CC(=O)NCc1ccccc1 240690a_100015324214_100011387404 [0,0,0,0,0,2|2,0,0]=4 9497 B16R1.1570 CCCS(=O)CC(=O)NCc1ccccc1 527a_100015324214_100011387404 [0,0,0,0,0,2|2,0,0]=4 9498 B16R1.1570 CCCS(=O)CC(=O)NNc1ccccc1 22a_100015195140_100011387404 [0,0,0,0,0,2|2,0,0]=4 9499 B16R1.1570 CCNC(=O)CC(=O)C#Cc1ccccc1 1458a_100000736102_100000183381 [0,0,0,0,0,2|1,0,0]=3 9500 B16R1.1570 CCNC(=O)CC(=O)C#Cc1ccccn1 1458a_102125277312_100000183381 [0,0,0,0,0,2|2,0,0]=4 9501 B16R1.1570 CCNC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000183381 [0,0,0,0,0,2|1,0,0]=3 9502 B16R1.1570 CCNC(=O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000183381 [0,0,0,0,0,2|2,0,0]=4 9503 B16R1.1570 CCNC(=O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000183381 [0,0,0,0,0,2|2,0,0]=4 9504 B16R1.1570 CCNC(=O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000183381 [0,0,0,0,0,2|2,0,0]=4 9505 B16R1.1570 CCNC(=O)CC(=O)CCc1ccccc1 1458a_100000185753_100000183381 [0,0,0,0,0,2|1,0,0]=3 9506 B16R1.1570 CCNC(=O)CC(=O)CCc1ccccn1 1458a_100015195070_100000183381 [0,0,0,0,0,2|2,0,0]=4 9507 B16R1.1570 CCNC(=O)CC(=O)CCc1cccnc1 1458a_100000198484_100000183381 [0,0,0,0,0,2|2,0,0]=4 9508 B16R1.1570 CCNC(=O)CC(=O)CCc1ccncc1 1458a_100011225043_100000183381 [0,0,0,0,0,2|2,0,0]=4 9509 B16R1.1570 CCNC(=O)CC(=O)COc1ccccc1 1458a_100000186222_100000183381 [0,0,0,0,0,2|1,0,0]=3 9510 B16R1.1570 CCNC(=O)CC(=O)COc1ccccn1 1458a_100102699861_100000183381 [0,0,0,0,0,2|2,0,0]=4 9511 B16R1.1570 CCNC(=O)CC(=O)COc1cccnc1 1458a_100015207166_100000183381 [0,0,0,0,0,2|2,0,0]=4 9512 B16R1.1570 CCNC(=O)CC(=O)CSc1ccccc1 1458a_100000211596_100000183381 [0,0,0,0,0,2|1,0,0]=3 9513 B16R1.1570 CCNC(=O)CC(=O)CSc1ccccn1 1458a_100000156281_100000183381 [0,0,0,0,0,2|2,0,0]=4 9514 B16R1.1570 CCNC(=O)CC(=O)CSc1ccncc1 1458a_100000211328_100000183381 [0,0,0,0,0,2|2,0,0]=4 9515 B16R1.1570 CCNC(=O)NC(=O)COc1ccccc1 7a_100000210340_100000183762 [0,0,0,0,0,2|2,0,0]=4 9516 B16R1.1570 CCNC(=O)NC(=O)CSc1ccccc1 62a_100000719477_100000183762 [0,0,0,0,0,2|2,0,0]=4 9517 B16R1.1570 CCOC(=O)C=C(C)CNc1ccccc1 34a_100000106764_100135422193 [0,0,0,0,0,2|1,0,1]=4 9518 B16R1.1570 CCOC(=O)C=C(C)COc1ccccc1 34a_100000210340_100135422193 [0,0,0,0,0,2|1,0,1]=4 9519 B16R1.1570 CCOC(=O)C=C(C)COc1ccccc1 7a_100000210340_100135422193 [0,0,0,0,0,2|1,0,1]=4 9520 B16R1.1570 CCOC(=O)C=C(C)CSc1ccccc1 62a_100000719477_100135422193 [0,0,0,0,0,2|1,0,1]=4 9521 B16R1.1570 CCOC(=O)C=C(C)CSc1ccccc1 62a_100135422193_100000041952 [0,0,0,0,0,2|1,0,1]=4 9522 B16R1.1570 CCOC(=O)CC(=O)C#Cc1ccccc1 1458a_100000736102_100000188475 [0,0,0,0,0,2|0,0,0]=2 9523 B16R1.1570 CCOC(=O)CC(=O)C#Cc1ccccn1 1458a_102125277312_100000188475 [0,0,0,0,0,2|1,0,0]=3 9524 B16R1.1570 CCOC(=O)CC(=O)C=Cc1ccccc1 1458a_100000210462_100000188475 [0,0,0,0,0,2|0,0,0]=2 9525 B16R1.1570 CCOC(=O)CC(=O)C=Cc1ccccn1 1458a_100000740811_100000188475 [0,0,0,0,0,2|1,0,0]=3 9526 B16R1.1570 CCOC(=O)CC(=O)C=Cc1cccnc1 1458a_100000735890_100000188475 [0,0,0,0,0,2|1,0,0]=3 9527 B16R1.1570 CCOC(=O)CC(=O)C=Cc1ccncc1 1458a_100000682801_100000188475 [0,0,0,0,0,2|1,0,0]=3 9528 B16R1.1570 CCOC(=O)CC(=O)C=Cc1cncnc1 6a_100000749868_100011216174 [0,0,0,0,0,2|2,0,0]=4 9529 B16R1.1570 CCOC(=O)CC(=O)CCc1ccccc1 1458a_100000185753_100000188475 [0,0,0,0,0,2|0,0,0]=2 9530 B16R1.1570 CCOC(=O)CC(=O)CCc1ccccc1 1458a_100000243816_100000765856 [0,0,0,0,0,2|0,0,0]=2 9531 B16R1.1570 CCOC(=O)CC(=O)CCc1ccccn1 1458a_100000243816_100015183660 [0,0,0,0,0,2|1,0,0]=3 9532 B16R1.1570 CCOC(=O)CC(=O)CCc1ccccn1 1458a_100015195070_100000188475 [0,0,0,0,0,2|1,0,0]=3 9533 B16R1.1570 CCOC(=O)CC(=O)CCc1cccnc1 1458a_100000198484_100000188475 [0,0,0,0,0,2|1,0,0]=3 9534 B16R1.1570 CCOC(=O)CC(=O)CCc1cccnc1 1458a_100000243816_200011713674 [0,0,0,0,0,2|1,0,0]=3 9535 B16R1.1570 CCOC(=O)CC(=O)CCc1ccncc1 1458a_100000243816_100000723409 [0,0,0,0,0,2|1,0,0]=3 9536 B16R1.1570 CCOC(=O)CC(=O)CCc1ccncc1 1458a_100011225043_100000188475 [0,0,0,0,0,2|1,0,0]=3 9537 B16R1.1570 CCOC(=O)CC(=O)COc1ccccc1 1458a_100000186222_100000188475 [0,0,0,0,0,2|0,0,0]=2 9538 B16R1.1570 CCOC(=O)CC(=O)COc1ccccn1 1458a_100102699861_100000188475 [0,0,0,0,0,2|1,0,0]=3 9539 B16R1.1570 CCOC(=O)CC(=O)COc1cccnc1 1458a_100015207166_100000188475 [0,0,0,0,0,2|1,0,0]=3 9540 B16R1.1570 CCOC(=O)CC(=O)CSc1ccccc1 1458a_100000211596_100000188475 [0,0,0,0,0,2|0,0,0]=2 9541 B16R1.1570 CCOC(=O)CC(=O)CSc1ccccc1 62a_100000210311_100000041952 [0,0,0,0,0,2|0,0,0]=2 9542 B16R1.1570 CCOC(=O)CC(=O)CSc1ccccc1 62a_100000719477_100000210311 [0,0,0,0,0,2|0,0,0]=2 9543 B16R1.1570 CCOC(=O)CC(=O)CSc1ccccn1 1458a_100000156281_100000188475 [0,0,0,0,0,2|1,0,0]=3 9544 B16R1.1570 CCOC(=O)CC(=O)CSc1ccccn1 62a_100000210311_100011216584 [0,0,0,0,0,2|1,0,0]=3 9545 B16R1.1570 CCOC(=O)CC(=O)CSc1ccccn1 62a_100011216584_100000210311 [0,0,0,0,0,2|1,0,0]=3 9546 B16R1.1570 CCOC(=O)CC(=O)CSc1cccnc1 62a_100000210063_100000210311 [0,0,0,0,0,2|1,0,0]=3 9547 B16R1.1570 CCOC(=O)CC(=O)CSc1cccnc1 62a_100000210311_100000210063 [0,0,0,0,0,2|1,0,0]=3 9548 B16R1.1570 CCOC(=O)CC(=O)CSc1cccnn1 62a_100000210311_100016991348 [0,0,0,0,0,2|2,0,0]=4 9549 B16R1.1570 CCOC(=O)CC(=O)CSc1cccnn1 62a_100016991348_100000210311 [0,0,0,0,0,2|2,0,0]=4 9550 B16R1.1570 CCOC(=O)CC(=O)CSc1ccncc1 1458a_100000211328_100000188475 [0,0,0,0,0,2|1,0,0]=3 9551 B16R1.1570 CCOC(=O)CC(=O)CSc1ccncc1 62a_100000210311_100000728582 [0,0,0,0,0,2|1,0,0]=3 9552 B16R1.1570 CCOC(=O)CC(=O)CSc1ccncc1 62a_100000728582_100000210311 [0,0,0,0,0,2|1,0,0]=3 9553 B16R1.1570 CCOC(=O)CC(=O)CSc1ccncn1 62a_100000210311_100000703185 [0,0,0,0,0,2|2,0,0]=4 9554 B16R1.1570 CCOC(=O)CC(=O)CSc1ccncn1 62a_100000703185_100000210311 [0,0,0,0,0,2|2,0,0]=4 9555 B16R1.1570 CCOC(=O)CC(=O)CSc1ccnnc1 62a_100000210311_100000732662 [0,0,0,0,0,2|2,0,0]=4 9556 B16R1.1570 CCOC(=O)CC(=O)CSc1ccnnc1 62a_100000732662_100000210311 [0,0,0,0,0,2|2,0,0]=4 9557 B16R1.1570 CCOC(=O)CC(=O)CSc1cnccn1 62a_100000210311_100000211759 [0,0,0,0,0,2|2,0,0]=4 9558 B16R1.1570 CCOC(=O)CC(=O)CSc1cnccn1 62a_100000211759_100000210311 [0,0,0,0,0,2|2,0,0]=4 9559 B16R1.1570 CCOC(=O)CC(=O)CSc1cncnc1 62a_100000210311_100011206942 [0,0,0,0,0,2|2,0,0]=4 9560 B16R1.1570 CCOC(=O)CC(=O)CSc1cncnc1 62a_100011206942_100000210311 [0,0,0,0,0,2|2,0,0]=4 9561 B16R1.1570 CCOC(=O)CC(=O)CSc1ncccn1 62a_100000210311_100000211032 [0,0,0,0,0,2|2,0,0]=4 9562 B16R1.1570 CCOC(=O)CC(=O)CSc1ncccn1 62a_100000211032_100000210311 [0,0,0,0,0,2|2,0,0]=4 9563 B16R1.1570 CCOC(=O)CC(=O)NCc1ccccc1 240690a_100015324214_100000243816 [0,0,0,0,0,2|0,0,0]=2 9564 B16R1.1570 CCOC(=O)CC(=O)NCc1ccccn1 240690a_100000210449_100000243816 [0,0,0,0,0,2|1,0,0]=3 9565 B16R1.1570 CCOC(=O)CC(=O)NCc1cccnc1 240690a_100000210453_100000243816 [0,0,0,0,0,2|1,0,0]=3 9566 B16R1.1570 CCOC(=O)CC(=O)NCc1cccnn1 240690a_100159270163_100000243816 [0,0,0,0,0,2|2,0,0]=4 9567 B16R1.1570 CCOC(=O)CC(=O)NCc1ccncc1 240690a_100000210450_100000243816 [0,0,0,0,0,2|1,0,0]=3 9568 B16R1.1570 CCOC(=O)CC(=O)NCc1ccncn1 240690a_100000736019_100000243816 [0,0,0,0,0,2|2,0,0]=4 9569 B16R1.1570 CCOC(=O)CC(=O)NCc1cnccn1 240690a_100000737960_100000243816 [0,0,0,0,0,2|2,0,0]=4 9570 B16R1.1570 CCOC(=O)CC(=O)NCc1cncnc1 240690a_100011243677_100000243816 [0,0,0,0,0,2|2,0,0]=4 9571 B16R1.1570 CCOC(=O)CC(=O)NCc1ncccn1 240690a_100015189908_100000243816 [0,0,0,0,0,2|2,0,0]=4 9572 B16R1.1570 CCOC(=O)CC(=O)NNc1ccccc1 22a_100015195140_100000243816 [0,0,0,0,0,2|0,0,0]=2 9573 B16R1.1570 CCOC(=O)CC(=O)NNc1ccccn1 22a_100000183288_100000243816 [0,0,0,0,0,2|1,0,0]=3 9574 B16R1.1570 CCOC(=O)CC(=O)NNc1cccnc1 22a_100000728903_100000243816 [0,0,0,0,0,2|1,0,0]=3 9575 B16R1.1570 CCOC(=O)CC(=O)NNc1cccnn1 22a_100000757824_100000243816 [0,0,0,0,0,2|2,0,0]=4 9576 B16R1.1570 CCOC(=O)CC(=O)NNc1ccncc1 22a_100000698918_100000243816 [0,0,0,0,0,2|1,0,0]=3 9577 B16R1.1570 CCOC(=O)CC(=O)NNc1ccncn1 22a_100011438088_100000243816 [0,0,0,0,0,2|2,0,0]=4 9578 B16R1.1570 CCOC(=O)CC(=O)NNc1cnccn1 22a_100000736894_100000243816 [0,0,0,0,0,2|2,0,0]=4 9579 B16R1.1570 CCOC(=O)CC(=O)NNc1ncccn1 22a_100000736892_100000243816 [0,0,0,0,0,2|2,0,0]=4 9580 B16R1.1570 CCOC(=O)CC(C)NCc1ccccc1 2230a_100015324214_100009817359 [0,0,0,0,0,2|1,0,1]=4 9581 B16R1.1570 CCOC(=O)CC(C)OCc1ccccc1 7a_100000210790_100009817359 [0,0,0,0,0,2|1,0,1]=4 9582 B16R1.1570 CCOC(=O)CC(C)SCc1ccccc1 62a_100000211182_100009817359 [0,0,0,0,0,2|1,0,1]=4 9583 B16R1.1570 CCOC(=O)CC(C)SCc1ccccc1 62a_100009817359_100015291786 [0,0,0,0,0,2|1,0,1]=4 9584 B16R1.1570 CCOC(=O)CN(C)CCc1ccccc1 2230a_100000207497_100000188475 [0,0,0,0,0,2|2,0,0]=4 9585 B16R1.1570 CCOC(=O)CN(C)CCc1ccccc1 2230a_100000220588_100000765856 [0,0,0,0,0,2|2,0,0]=4 9586 B16R1.1570 CCOC(=O)CN(C)CCc1ccccc1 2230a_200000219915_200000210301 [0,0,0,0,0,2|2,0,0]=4 9587 B16R1.1570 CCOC(=O)CN(C)CCc1ccccc1 269982a_100000207497_100000188475 [0,0,0,0,0,2|2,0,0]=4 9588 B16R1.1570 CCOC(=O)CN(C)CCc1ccccc1 269982a_200000219915_200000210301 [0,0,0,0,0,2|2,0,0]=4 9589 B16R1.1570 CCOC(=O)CN(C)CSc1ccccc1 2230a_100000220588_100011218342 [0,0,0,0,0,2|2,0,0]=4 9590 B16R1.1570 CCOC(=O)CN([13CH3])CCc1ccccc1 2230a_200000219915_200025704644 [0,0,0,0,0,2|2,0,0]=4 9591 B16R1.1570 CCOC(=O)CN([13CH3])CCc1ccccc1 269982a_200000219915_200025704644 [0,0,0,0,0,2|2,0,0]=4 9592 B16R1.1570 CCOC(=O)C[C@@H](C)OCc1ccccc1 7a_100009816390_100000211182 [0,0,0,0,0,2|1,0,1]=4 9593 B16R1.1570 CCOC(=O)C[C@H](O)CNc1ccccc1 34a_100000106764_100000688340 [0,0,0,0,0,2|0,0,2]=4 9594 B16R1.1570 CCOC(=O)C[C@H](O)COc1ccccc1 34a_100000210340_100000688340 [0,0,0,0,0,2|0,0,2]=4 9595 B16R1.1570 CCOC(=O)C[C@H](O)COc1ccccc1 7a_100000210340_100000688340 [0,0,0,0,0,2|0,0,2]=4 9596 B16R1.1570 CCOC(=O)C[C@H](O)CSc1ccccc1 62a_100000688340_100000041952 [0,0,0,0,0,2|0,0,2]=4 9597 B16R1.1570 CCOC(=O)C[C@H](O)CSc1ccccc1 62a_100000719477_100000688340 [0,0,0,0,0,2|0,0,2]=4 9598 B16R1.1570 CCOC(=O)NC(=O)COc1ccccc1 7a_100000210340_100000010344 [0,0,0,0,0,2|1,0,0]=3 9599 B16R1.1570 CCOC(=O)NC(=O)COc1cccnc1 7a_100000210849_100000010344 [0,0,0,0,0,2|2,0,0]=4 9600 B16R1.1570 CCOC(=O)NC(=O)CSc1ccccc1 62a_100000719477_100000010344 [0,0,0,0,0,2|1,0,0]=3 9601 B16R1.1570 CCOC(=O)NC(=O)CSc1ccccn1 62a_100011216584_100000010344 [0,0,0,0,0,2|2,0,0]=4 9602 B16R1.1570 CCOC(=O)NC(=O)CSc1cccnc1 62a_100000210063_100000010344 [0,0,0,0,0,2|2,0,0]=4 9603 B16R1.1570 CCOC(=O)NC(=O)CSc1ccncc1 62a_100000728582_100000010344 [0,0,0,0,0,2|2,0,0]=4 9604 B16R1.1570 CNNC(=O)CC(=O)OCc1ccccc1 22a_100016993582_100000037839 [0,0,0,0,0,2|2,0,0]=4 9605 B16R1.1570 COCC(=O)CC(=O)CCc1ccccc1 1458a_100000210968_100012361361 [0,0,0,0,0,2|2,0,0]=4 9606 B16R1.1570 COCC(=O)CC(=O)NCc1ccccc1 1458a_100000210968_100000183539 [0,0,0,0,0,2|2,0,0]=4 9607 B16R1.1570 COCC(=O)CC(=O)OCc1ccccc1 1458a_100000210968_100000753625 [0,0,0,0,0,2|2,0,0]=4 9608 B16R1.1570 CSCC(=O)CC(=O)CCc1ccccc1 1458a_100000184570_100012361361 [0,0,0,0,0,2|2,0,0]=4 9609 B16R1.1570 CSCC(=O)CC(=O)NCc1ccccc1 1458a_100000184570_100000183539 [0,0,0,0,0,2|2,0,0]=4 9610 B16R1.1570 CSCC(=O)CC(=O)OCc1ccccc1 1458a_100000184570_100000753625 [0,0,0,0,0,2|2,0,0]=4 9611 B16R1.1570 O=C(C#Cc1ccccc1)CC(=O)NCO 1458a_100000736102_100000185155 [0,0,0,0,0,2|2,0,0]=4 9612 B16R1.1570 O=C(C=Cc1ccccc1)CC(=O)NCO 1458a_100000210462_100000185155 [0,0,0,0,0,2|2,0,0]=4 9613 B16R1.1570 O=C(CCF)CC(=O)OCc1ccccc1 1458a_100000037839_100011217306 [0,0,0,0,0,2|2,0,0]=4 9614 B16R1.1570 O=C(CCO)CC(=O)CCc1ccccc1 1458a_100011216618_100012361361 [0,0,0,0,0,2|2,0,0]=4 9615 B16R1.1570 O=C(CCO)CC(=O)NCc1ccccc1 1458a_100011216618_100000183539 [0,0,0,0,0,2|2,0,0]=4 9616 B16R1.1570 O=C(CCO)CC(=O)OCc1ccccc1 1458a_100000037839_100000211926 [0,0,0,0,0,2|2,0,0]=4 9617 B16R1.1570 O=C(CCO)CC(=O)OCc1ccccc1 1458a_100011216618_100000753625 [0,0,0,0,0,2|2,0,0]=4 9618 B16R1.1570 O=C(CCc1ccccc1)CC(=O)NCO 1458a_100000185753_100000185155 [0,0,0,0,0,2|2,0,0]=4 9619 B16R1.1570 O=C(COc1ccccc1)CC(=O)NCO 1458a_100000186222_100000185155 [0,0,0,0,0,2|2,0,0]=4 9620 B16R1.1570 O=C(CSc1ccccc1)CC(=O)NCO 1458a_100000211596_100000185155 [0,0,0,0,0,2|2,0,0]=4